NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
540203 | 2loq | 18221 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H1 MET 1 -19.074 -15.169 -4.193 2 HA MET 1 HA MET 1 -19.687 -12.707 -4.820 3 HB2 MET 1 HB2 MET 1 -19.720 -12.728 -2.011 4 HB3 MET 1 HB3 MET 1 -18.128 -12.083 -2.357 5 HG2 MET 1 HG2 MET 1 -18.980 -10.179 -3.459 6 HG3 MET 1 HG3 MET 1 -20.490 -10.964 -3.878 7 HE1 MET 1 HE1 MET 1 -20.631 -7.865 -1.081 8 HE2 MET 1 HE2 MET 1 -19.259 -8.223 -2.157 9 HE3 MET 1 HE3 MET 1 -20.913 -8.158 -2.813 10 H GLY 2 H GLY 2 -18.112 -12.264 -6.299 11 HA2 GLY 2 HA2 GLY 2 -16.085 -12.097 -7.258 12 HA3 GLY 2 HA3 GLY 2 -15.372 -12.124 -5.657 13 H LYS 3 H LYS 3 -13.795 -13.364 -7.341 14 HA LYS 3 HA LYS 3 -14.270 -16.190 -6.785 15 HB2 LYS 3 HB2 LYS 3 -14.603 -15.072 -9.342 16 HB3 LYS 3 HB3 LYS 3 -13.027 -15.835 -9.385 17 HG2 LYS 3 HG2 LYS 3 -15.245 -17.391 -8.082 18 HG3 LYS 3 HG3 LYS 3 -15.333 -17.202 -9.822 19 HD2 LYS 3 HD2 LYS 3 -13.563 -18.608 -10.192 20 HD3 LYS 3 HD3 LYS 3 -12.618 -17.919 -8.887 21 HE2 LYS 3 HE2 LYS 3 -13.041 -19.836 -7.736 22 HE3 LYS 3 HE3 LYS 3 -14.671 -19.230 -7.515 23 HZ1 LYS 3 HZ1 LYS 3 -14.066 -20.621 -10.027 24 HZ2 LYS 3 HZ2 LYS 3 -14.252 -21.528 -8.687 25 HZ3 LYS 3 HZ3 LYS 3 -15.453 -20.524 -9.164 26 H GLU 4 H GLU 4 -12.768 -15.885 -5.038 27 HA GLU 4 HA GLU 4 -10.811 -15.711 -4.092 28 HB2 GLU 4 HB2 GLU 4 -9.987 -17.033 -6.709 29 HB3 GLU 4 HB3 GLU 4 -8.891 -16.857 -5.353 30 HG2 GLU 4 HG2 GLU 4 -10.704 -18.026 -3.918 31 HG3 GLU 4 HG3 GLU 4 -11.508 -18.418 -5.425 32 H SER 5 H SER 5 -10.741 -13.379 -4.010 33 HA SER 5 HA SER 5 -9.108 -12.196 -6.109 34 HB2 SER 5 HB2 SER 5 -10.031 -10.029 -5.376 35 HB3 SER 5 HB3 SER 5 -11.319 -11.148 -5.775 36 HG SER 5 HG SER 5 -10.635 -10.003 -3.303 37 H GLY 6 H GLY 6 -6.961 -12.349 -5.496 38 HA2 GLY 6 HA2 GLY 6 -5.138 -12.376 -4.147 39 HA3 GLY 6 HA3 GLY 6 -5.740 -10.796 -3.687 40 H TRP 7 H TRP 7 -6.124 -14.321 -2.932 41 HA TRP 7 HA TRP 7 -6.444 -15.390 -1.021 42 HB2 TRP 7 HB2 TRP 7 -4.713 -13.238 -0.364 43 HB3 TRP 7 HB3 TRP 7 -5.854 -13.407 0.955 44 HD1 TRP 7 HD1 TRP 7 -5.857 -15.885 2.228 45 HE1 TRP 7 HE1 TRP 7 -3.994 -17.718 2.588 46 HE3 TRP 7 HE3 TRP 7 -2.779 -14.235 -1.468 47 HZ2 TRP 7 HZ2 TRP 7 -1.498 -18.261 1.316 48 HZ3 TRP 7 HZ3 TRP 7 -0.648 -15.473 -1.843 49 HH2 TRP 7 HH2 TRP 7 0.011 -17.422 -0.523 50 H ASP 8 H ASP 8 -8.661 -15.735 -0.992 51 HA ASP 8 HA ASP 8 -10.494 -13.672 -0.679 52 HB2 ASP 8 HB2 ASP 8 -12.150 -15.475 -0.407 53 HB3 ASP 8 HB3 ASP 8 -11.032 -15.872 -1.697 54 H SER 9 H SER 9 -10.991 -12.564 1.219 55 HA SER 9 HA SER 9 -11.292 -13.986 3.639 56 HB2 SER 9 HB2 SER 9 -8.707 -12.789 3.085 57 HB3 SER 9 HB3 SER 9 -9.457 -11.936 4.420 58 HG SER 9 HG SER 9 -9.429 -14.813 4.369 59 H GLY 10 H GLY 10 -12.253 -12.581 5.339 60 HA2 GLY 10 HA2 GLY 10 -13.367 -10.100 4.175 61 HA3 GLY 10 HA3 GLY 10 -14.208 -11.158 5.290 62 H ARG 11 H ARG 11 -13.385 -11.361 7.543 63 HA ARG 11 HA ARG 11 -12.659 -8.820 8.495 64 HB2 ARG 11 HB2 ARG 11 -13.618 -11.357 9.578 65 HB3 ARG 11 HB3 ARG 11 -12.305 -10.758 10.572 66 HG2 ARG 11 HG2 ARG 11 -13.898 -8.475 10.006 67 HG3 ARG 11 HG3 ARG 11 -15.045 -9.757 10.339 68 HD2 ARG 11 HD2 ARG 11 -14.448 -9.900 12.559 69 HD3 ARG 11 HD3 ARG 11 -12.741 -9.689 12.221 70 HE ARG 11 HE ARG 11 -13.892 -7.194 11.670 71 HH11 ARG 11 HH22 ARG 11 -13.690 -9.322 14.496 72 HH12 ARG 11 HH21 ARG 11 -13.765 -8.020 15.636 73 HH21 ARG 11 HH12 ARG 11 -13.988 -5.513 13.161 74 HH22 ARG 11 HH11 ARG 11 -13.936 -5.838 14.864 75 H ALA 12 H ALA 12 -11.064 -12.093 8.711 76 HA ALA 12 HA ALA 12 -8.754 -11.482 9.913 77 HB1 ALA 12 HB1 ALA 12 -8.398 -13.619 9.325 78 HB2 ALA 12 HB2 ALA 12 -9.760 -13.526 8.183 79 HB3 ALA 12 HB3 ALA 12 -8.114 -13.120 7.640 80 H ALA 13 H ALA 13 -9.800 -10.469 6.672 81 HA ALA 13 HA ALA 13 -7.498 -9.835 5.425 82 HB1 ALA 13 HB1 ALA 13 -9.777 -9.498 4.528 83 HB2 ALA 13 HB2 ALA 13 -10.006 -8.119 5.630 84 HB3 ALA 13 HB3 ALA 13 -8.785 -8.032 4.339 85 H VAL 14 H VAL 14 -9.260 -7.611 7.707 86 HA VAL 14 HA VAL 14 -7.476 -5.582 7.779 87 HB VAL 14 HB VAL 14 -9.110 -6.804 10.008 88 HG11 VAL 14 HG11 VAL 14 -7.123 -4.727 10.148 89 HG12 VAL 14 HG12 VAL 14 -8.732 -4.029 10.448 90 HG13 VAL 14 HG13 VAL 14 -8.153 -5.389 11.440 91 HG21 VAL 14 HG21 VAL 14 -10.741 -6.079 8.609 92 HG22 VAL 14 HG22 VAL 14 -10.363 -4.499 9.336 93 HG23 VAL 14 HG23 VAL 14 -9.663 -4.944 7.761 94 H ALA 15 H ALA 15 -7.320 -8.699 9.598 95 HA ALA 15 HA ALA 15 -5.115 -8.115 11.153 96 HB1 ALA 15 HB1 ALA 15 -5.577 -10.206 11.828 97 HB2 ALA 15 HB2 ALA 15 -6.748 -10.351 10.496 98 HB3 ALA 15 HB3 ALA 15 -5.060 -10.859 10.255 99 H ALA 16 H ALA 16 -5.304 -9.499 7.808 100 HA ALA 16 HA ALA 16 -2.536 -9.791 7.500 101 HB1 ALA 16 HB1 ALA 16 -4.087 -10.974 6.080 102 HB2 ALA 16 HB2 ALA 16 -4.827 -9.452 5.527 103 HB3 ALA 16 HB3 ALA 16 -3.161 -9.857 5.049 104 H VAL 17 H VAL 17 -4.689 -7.008 7.412 105 HA VAL 17 HA VAL 17 -2.840 -5.391 5.915 106 HB VAL 17 HB VAL 17 -5.359 -4.717 7.449 107 HG11 VAL 17 HG11 VAL 17 -3.710 -2.821 7.051 108 HG12 VAL 17 HG12 VAL 17 -4.009 -3.048 5.312 109 HG13 VAL 17 HG13 VAL 17 -5.347 -2.589 6.392 110 HG21 VAL 17 HG21 VAL 17 -4.879 -5.912 4.817 111 HG22 VAL 17 HG22 VAL 17 -6.376 -5.808 5.773 112 HG23 VAL 17 HG23 VAL 17 -5.882 -4.444 4.742 113 H VAL 18 H VAL 18 -3.411 -6.347 9.242 114 HA VAL 18 HA VAL 18 -2.220 -4.074 10.442 115 HB VAL 18 HB VAL 18 -2.814 -6.886 11.359 116 HG11 VAL 18 HG11 VAL 18 -1.080 -4.898 12.591 117 HG12 VAL 18 HG12 VAL 18 -2.462 -5.306 13.637 118 HG13 VAL 18 HG13 VAL 18 -1.380 -6.591 13.049 119 HG21 VAL 18 HG21 VAL 18 -4.768 -6.074 12.223 120 HG22 VAL 18 HG22 VAL 18 -4.096 -4.453 12.522 121 HG23 VAL 18 HG23 VAL 18 -4.572 -4.930 10.874 122 H GLY 19 H GLY 19 -1.040 -7.432 9.715 123 HA2 GLY 19 HA2 GLY 19 1.462 -7.425 10.642 124 HA3 GLY 19 HA3 GLY 19 1.040 -8.085 9.074 125 H GLY 20 H GLY 20 2.556 -5.421 10.813 126 HA2 GLY 20 HA2 GLY 20 4.421 -4.373 9.701 127 HA3 GLY 20 HA3 GLY 20 3.478 -4.328 8.225 128 H VAL 21 H VAL 21 2.175 -3.628 11.500 129 HA VAL 21 HA VAL 21 0.794 -1.399 10.818 130 HB VAL 21 HB VAL 21 0.970 -0.800 13.233 131 HG11 VAL 21 HG11 VAL 21 -0.764 -2.200 13.328 132 HG12 VAL 21 HG12 VAL 21 -0.076 -3.214 12.037 133 HG13 VAL 21 HG13 VAL 21 0.370 -3.511 13.734 134 HG21 VAL 21 HG21 VAL 21 3.129 -1.370 13.918 135 HG22 VAL 21 HG22 VAL 21 2.126 -2.649 14.645 136 HG23 VAL 21 HG23 VAL 21 3.053 -2.980 13.162 137 H VAL 22 H VAL 22 4.185 -1.521 12.114 138 HA VAL 22 HA VAL 22 4.686 1.166 12.133 139 HB VAL 22 HB VAL 22 6.451 -1.208 11.536 140 HG11 VAL 22 HG11 VAL 22 7.766 0.464 10.626 141 HG12 VAL 22 HG12 VAL 22 7.128 1.714 11.720 142 HG13 VAL 22 HG13 VAL 22 8.281 0.503 12.329 143 HG21 VAL 22 HG21 VAL 22 5.197 -0.587 13.847 144 HG22 VAL 22 HG22 VAL 22 6.784 -1.389 13.775 145 HG23 VAL 22 HG23 VAL 22 6.686 0.367 14.046 146 H ALA 23 H ALA 23 5.083 -1.169 9.387 147 HA ALA 23 HA ALA 23 6.082 0.634 7.551 148 HB1 ALA 23 HB1 ALA 23 6.114 -1.288 6.393 149 HB2 ALA 23 HB2 ALA 23 5.091 -2.055 7.632 150 HB3 ALA 23 HB3 ALA 23 4.341 -1.231 6.244 151 H VAL 24 H VAL 24 2.739 0.021 8.676 152 HA VAL 24 HA VAL 24 1.509 1.546 6.634 153 HB VAL 24 HB VAL 24 0.522 0.826 9.401 154 HG11 VAL 24 HG11 VAL 24 -1.476 1.677 8.846 155 HG12 VAL 24 HG12 VAL 24 -0.628 2.509 7.520 156 HG13 VAL 24 HG13 VAL 24 -1.430 0.947 7.223 157 HG21 VAL 24 HG21 VAL 24 -0.433 -0.790 7.145 158 HG22 VAL 24 HG22 VAL 24 1.317 -0.945 7.434 159 HG23 VAL 24 HG23 VAL 24 0.164 -1.291 8.746 160 H GLY 25 H GLY 25 3.029 2.263 9.768 161 HA2 GLY 25 HA2 GLY 25 1.915 4.841 10.126 162 HA3 GLY 25 HA3 GLY 25 3.359 4.194 10.878 163 H THR 26 H THR 26 5.129 3.707 8.843 164 HA THR 26 HA THR 26 6.047 6.275 8.201 165 HB THR 26 HB THR 26 7.757 4.980 6.929 166 HG1 THR 26 HG1 THR 26 7.068 3.020 6.149 167 HG21 THR 26 HG21 THR 26 8.656 3.770 8.728 168 HG22 THR 26 HG22 THR 26 7.489 4.788 9.605 169 HG23 THR 26 HG23 THR 26 7.074 3.105 9.199 170 H VAL 27 H VAL 27 4.147 3.869 6.326 171 HA VAL 27 HA VAL 27 4.310 5.213 3.886 172 HB VAL 27 HB VAL 27 2.485 3.200 5.138 173 HG11 VAL 27 HG11 VAL 27 1.621 3.230 2.535 174 HG12 VAL 27 HG12 VAL 27 0.754 3.955 3.910 175 HG13 VAL 27 HG13 VAL 27 1.795 4.968 2.881 176 HG21 VAL 27 HG21 VAL 27 4.274 3.185 2.683 177 HG22 VAL 27 HG22 VAL 27 4.633 2.448 4.263 178 HG23 VAL 27 HG23 VAL 27 3.306 1.809 3.263 179 H LEU 28 H LEU 28 1.977 5.447 6.637 180 HA LEU 28 HA LEU 28 0.283 7.286 5.368 181 HB2 LEU 28 HB2 LEU 28 0.469 5.916 7.843 182 HB3 LEU 28 HB3 LEU 28 0.301 7.621 8.212 183 HG LEU 28 HG LEU 28 -1.654 7.424 6.385 184 HD11 LEU 28 HD11 LEU 28 -2.402 5.384 5.911 185 HD12 LEU 28 HD12 LEU 28 -0.895 4.758 6.622 186 HD13 LEU 28 HD13 LEU 28 -2.363 4.889 7.620 187 HD21 LEU 28 HD21 LEU 28 -2.255 8.343 8.404 188 HD22 LEU 28 HD22 LEU 28 -3.159 6.810 8.444 189 HD23 LEU 28 HD23 LEU 28 -1.633 6.967 9.346 190 H VAL 29 H VAL 29 2.543 7.955 8.134 191 HA VAL 29 HA VAL 29 2.531 10.643 8.010 192 HB VAL 29 HB VAL 29 3.665 9.315 9.699 193 HG11 VAL 29 HG11 VAL 29 5.480 7.961 9.363 194 HG12 VAL 29 HG12 VAL 29 4.724 7.819 7.758 195 HG13 VAL 29 HG13 VAL 29 6.094 8.929 8.002 196 HG21 VAL 29 HG21 VAL 29 5.365 10.839 10.189 197 HG22 VAL 29 HG22 VAL 29 5.807 11.051 8.478 198 HG23 VAL 29 HG23 VAL 29 4.299 11.761 9.102 199 H ALA 30 H ALA 30 4.147 8.373 5.780 200 HA ALA 30 HA ALA 30 5.779 10.275 4.512 201 HB1 ALA 30 HB1 ALA 30 5.639 8.479 2.634 202 HB2 ALA 30 HB2 ALA 30 6.345 8.011 4.200 203 HB3 ALA 30 HB3 ALA 30 4.672 7.549 3.804 204 H LEU 31 H LEU 31 2.616 8.796 3.481 205 HA LEU 31 HA LEU 31 2.276 10.522 1.315 206 HB2 LEU 31 HB2 LEU 31 0.904 8.369 2.576 207 HB3 LEU 31 HB3 LEU 31 -0.243 9.674 2.349 208 HG LEU 31 HG LEU 31 1.024 9.593 -0.099 209 HD11 LEU 31 HD11 LEU 31 2.056 7.650 -0.390 210 HD12 LEU 31 HD12 LEU 31 1.502 7.055 1.194 211 HD13 LEU 31 HD13 LEU 31 0.475 6.843 -0.245 212 HD21 LEU 31 HD21 LEU 31 -1.387 9.834 0.349 213 HD22 LEU 31 HD22 LEU 31 -1.048 8.647 -0.933 214 HD23 LEU 31 HD23 LEU 31 -1.484 8.092 0.701 215 H SER 32 H SER 32 0.402 10.548 4.432 216 HA SER 32 HA SER 32 -0.781 12.926 4.103 217 HB2 SER 32 HB2 SER 32 0.104 11.328 6.464 218 HB3 SER 32 HB3 SER 32 -0.281 13.004 6.799 219 HG SER 32 HG SER 32 -2.155 11.719 5.145 220 H ALA 33 H ALA 33 2.285 12.471 6.027 221 HA ALA 33 HA ALA 33 2.837 15.300 5.750 222 HB1 ALA 33 HB1 ALA 33 3.402 13.214 7.631 223 HB2 ALA 33 HB2 ALA 33 4.953 13.839 7.022 224 HB3 ALA 33 HB3 ALA 33 3.774 14.950 7.760 225 H MET 34 H MET 34 2.915 14.914 3.280 226 HA MET 34 HA MET 34 5.078 13.453 2.263 227 HB2 MET 34 HB2 MET 34 4.499 14.766 0.142 228 HB3 MET 34 HB3 MET 34 3.130 13.947 0.866 229 HG2 MET 34 HG2 MET 34 3.386 16.578 2.071 230 HG3 MET 34 HG3 MET 34 3.416 16.751 0.328 231 HE1 MET 34 HE1 MET 34 0.993 16.596 -1.142 232 HE2 MET 34 HE2 MET 34 1.999 15.128 -1.104 233 HE3 MET 34 HE3 MET 34 0.240 15.008 -0.863 234 H GLY 35 H GLY 35 5.038 16.301 4.067 235 HA2 GLY 35 HA2 GLY 35 7.747 16.957 3.207 236 HA3 GLY 35 HA3 GLY 35 6.542 18.217 3.035 237 H PHE 36 H PHE 36 7.496 19.584 4.633 238 HA PHE 36 HA PHE 36 7.666 18.481 7.322 239 HB2 PHE 36 HB2 PHE 36 9.111 20.360 7.690 240 HB3 PHE 36 HB3 PHE 36 9.423 19.977 6.009 241 HD1 PHE 36 HD1 PHE 36 8.283 21.336 4.219 242 HD2 PHE 36 HD2 PHE 36 8.202 22.453 8.312 243 HE1 PHE 36 HE1 PHE 36 7.654 23.677 3.568 244 HE2 PHE 36 HE2 PHE 36 7.572 24.794 7.661 245 HZ PHE 36 HZ PHE 36 7.306 25.378 5.296 246 H THR 37 H THR 37 5.139 19.384 5.606 247 HA THR 37 HA THR 37 4.042 21.124 7.718 248 HB THR 37 HB THR 37 4.350 22.168 5.409 249 HG1 THR 37 HG1 THR 37 1.706 21.550 6.520 250 HG21 THR 37 HG21 THR 37 3.519 19.831 4.323 251 HG22 THR 37 HG22 THR 37 1.926 20.596 4.539 252 HG23 THR 37 HG23 THR 37 3.169 21.392 3.543 253 H SER 38 H SER 38 2.495 20.278 8.958 254 HA SER 38 HA SER 38 0.434 18.755 7.953 255 HB2 SER 38 HB2 SER 38 0.917 16.512 8.675 256 HB3 SER 38 HB3 SER 38 2.281 17.033 7.706 257 HG SER 38 HG SER 38 2.116 16.855 10.585 258 H VAL 39 H VAL 39 2.635 19.504 10.687 259 HA VAL 39 HA VAL 39 0.880 18.905 12.764 260 HB VAL 39 HB VAL 39 3.191 20.820 12.469 261 HG11 VAL 39 HG11 VAL 39 2.722 20.223 15.217 262 HG12 VAL 39 HG12 VAL 39 2.686 21.806 14.403 263 HG13 VAL 39 HG13 VAL 39 1.199 20.835 14.526 264 HG21 VAL 39 HG21 VAL 39 2.857 18.074 13.710 265 HG22 VAL 39 HG22 VAL 39 3.884 18.540 12.333 266 HG23 VAL 39 HG23 VAL 39 4.285 19.103 13.973 267 H GLY 40 H GLY 40 1.832 22.319 12.330 268 HA2 GLY 40 HA2 GLY 40 -0.370 23.509 13.300 269 HA3 GLY 40 HA3 GLY 40 0.593 24.187 12.002 270 H ILE 41 H ILE 41 0.094 22.543 9.823 271 HA ILE 41 HA ILE 41 -2.270 23.499 8.841 272 HB ILE 41 HB ILE 41 -0.560 21.139 8.110 273 HG12 ILE 41 HG12 ILE 41 0.475 23.268 7.728 274 HG13 ILE 41 HG13 ILE 41 0.011 22.591 6.180 275 HG21 ILE 41 HG21 ILE 41 -3.287 21.628 7.273 276 HG22 ILE 41 HG22 ILE 41 -2.165 21.739 5.895 277 HG23 ILE 41 HG23 ILE 41 -2.203 20.268 6.896 278 HD11 ILE 41 HD11 ILE 41 -2.236 23.973 6.593 279 HD12 ILE 41 HD12 ILE 41 -1.184 24.923 7.670 280 HD13 ILE 41 HD13 ILE 41 -0.784 24.770 5.942 281 H ALA 42 H ALA 42 -1.623 20.270 10.355 282 HA ALA 42 HA ALA 42 -4.208 19.291 10.071 283 HB1 ALA 42 HB1 ALA 42 -2.474 17.772 10.616 284 HB2 ALA 42 HB2 ALA 42 -1.932 18.753 11.999 285 HB3 ALA 42 HB3 ALA 42 -3.469 17.859 12.090 286 H ALA 43 H ALA 43 -2.730 21.519 12.439 287 HA ALA 43 HA ALA 43 -4.861 21.382 14.296 288 HB1 ALA 43 HB1 ALA 43 -2.338 22.292 14.395 289 HB2 ALA 43 HB2 ALA 43 -3.156 23.831 14.033 290 HB3 ALA 43 HB3 ALA 43 -3.606 22.903 15.483 291 H SER 44 H SER 44 -4.265 23.109 11.259 292 HA SER 44 HA SER 44 -6.200 25.096 11.725 293 HB2 SER 44 HB2 SER 44 -4.372 25.412 10.109 294 HB3 SER 44 HB3 SER 44 -4.937 24.058 9.151 295 HG SER 44 HG SER 44 -6.581 26.376 9.687 296 H SER 45 H SER 45 -6.142 22.193 9.519 297 HA SER 45 HA SER 45 -8.729 22.353 8.707 298 HB2 SER 45 HB2 SER 45 -6.941 20.803 7.828 299 HB3 SER 45 HB3 SER 45 -7.161 19.792 9.242 300 HG SER 45 HG SER 45 -8.391 19.024 7.404 301 H ILE 46 H ILE 46 -7.335 20.851 11.671 302 HA ILE 46 HA ILE 46 -9.668 19.581 12.531 303 HB ILE 46 HB ILE 46 -7.211 20.591 13.949 304 HG12 ILE 46 HG12 ILE 46 -8.031 17.724 13.527 305 HG13 ILE 46 HG13 ILE 46 -7.242 18.619 12.243 306 HG21 ILE 46 HG21 ILE 46 -7.895 19.431 15.940 307 HG22 ILE 46 HG22 ILE 46 -9.161 20.600 15.496 308 HG23 ILE 46 HG23 ILE 46 -9.391 18.868 15.156 309 HD11 ILE 46 HD11 ILE 46 -5.521 19.285 14.167 310 HD12 ILE 46 HD12 ILE 46 -6.161 17.817 14.944 311 HD13 ILE 46 HD13 ILE 46 -5.391 17.713 13.342 312 H ALA 47 H ALA 47 -8.269 22.816 13.410 313 HA ALA 47 HA ALA 47 -10.230 23.630 15.128 314 HB1 ALA 47 HB1 ALA 47 -8.935 25.454 13.081 315 HB2 ALA 47 HB2 ALA 47 -9.389 25.818 14.763 316 HB3 ALA 47 HB3 ALA 47 -8.012 24.742 14.426 317 H ALA 48 H ALA 48 -10.226 23.563 11.538 318 HA ALA 48 HA ALA 48 -12.528 25.087 11.158 319 HB1 ALA 48 HB1 ALA 48 -12.350 23.051 9.162 320 HB2 ALA 48 HB2 ALA 48 -11.815 24.745 9.057 321 HB3 ALA 48 HB3 ALA 48 -10.689 23.490 9.628 322 H LYS 49 H LYS 49 -12.184 21.463 11.065 323 HA LYS 49 HA LYS 49 -13.618 19.848 11.522 324 HB2 LYS 49 HB2 LYS 49 -13.885 21.754 13.665 325 HB3 LYS 49 HB3 LYS 49 -15.439 20.999 13.370 326 HG2 LYS 49 HG2 LYS 49 -14.687 18.875 13.946 327 HG3 LYS 49 HG3 LYS 49 -13.059 19.172 13.370 328 HD2 LYS 49 HD2 LYS 49 -12.407 19.582 15.500 329 HD3 LYS 49 HD3 LYS 49 -13.441 20.997 15.523 330 HE2 LYS 49 HE2 LYS 49 -14.527 18.203 16.080 331 HE3 LYS 49 HE3 LYS 49 -13.856 19.206 17.352 332 HZ1 LYS 49 HZ1 LYS 49 -15.588 20.882 16.072 333 HZ2 LYS 49 HZ2 LYS 49 -16.388 19.464 16.023 334 HZ3 LYS 49 HZ3 LYS 49 -15.864 20.055 17.457 335 H MET 50 H MET 50 -14.899 19.222 9.873 336 HA MET 50 HA MET 50 -16.521 19.170 8.426 337 HB2 MET 50 HB2 MET 50 -17.701 19.864 10.910 338 HB3 MET 50 HB3 MET 50 -18.427 20.989 9.779 339 HG2 MET 50 HG2 MET 50 -18.626 18.688 8.310 340 HG3 MET 50 HG3 MET 50 -18.689 18.005 9.922 341 HE1 MET 50 HE1 MET 50 -21.928 17.648 8.730 342 HE2 MET 50 HE2 MET 50 -21.919 19.018 7.594 343 HE3 MET 50 HE3 MET 50 -20.524 17.915 7.669 344 H MET 51 H MET 51 -15.503 20.337 6.732 345 HA MET 51 HA MET 51 -16.469 23.081 6.513 346 HB2 MET 51 HB2 MET 51 -13.883 22.585 6.981 347 HB3 MET 51 HB3 MET 51 -13.843 22.141 5.286 348 HG2 MET 51 HG2 MET 51 -14.046 24.319 4.576 349 HG3 MET 51 HG3 MET 51 -15.238 24.714 5.798 350 HE1 MET 51 HE1 MET 51 -14.156 26.827 5.545 351 HE2 MET 51 HE2 MET 51 -14.061 27.050 7.309 352 HE3 MET 51 HE3 MET 51 -12.631 27.357 6.294 353 H SER 52 H SER 52 -15.030 20.301 4.659 354 HA SER 52 HA SER 52 -17.198 20.267 2.890 355 HB2 SER 52 HB2 SER 52 -15.409 22.270 2.236 356 HB3 SER 52 HB3 SER 52 -14.781 20.934 1.291 357 HG SER 52 HG SER 52 -17.099 22.430 0.925 358 H THR 53 H THR 53 -13.592 19.728 2.888 359 HA THR 53 HA THR 53 -12.412 17.935 2.204 360 HB THR 53 HB THR 53 -12.890 17.487 4.588 361 HG1 THR 53 HG1 THR 53 -12.488 15.225 4.324 362 HG21 THR 53 HG21 THR 53 -15.387 16.130 3.451 363 HG22 THR 53 HG22 THR 53 -14.749 15.789 5.077 364 HG23 THR 53 HG23 THR 53 -15.331 17.422 4.674 365 H ALA 54 H ALA 54 -14.366 18.620 0.262 366 HA ALA 54 HA ALA 54 -14.875 15.930 -0.792 367 HB1 ALA 54 HB1 ALA 54 -16.752 18.324 -0.955 368 HB2 ALA 54 HB2 ALA 54 -17.025 16.718 -1.675 369 HB3 ALA 54 HB3 ALA 54 -16.982 16.905 0.095 370 H ALA 55 H ALA 55 -14.730 15.775 -3.117 371 HA ALA 55 HA ALA 55 -13.478 18.132 -4.348 372 HB1 ALA 55 HB1 ALA 55 -12.718 15.303 -5.077 373 HB2 ALA 55 HB2 ALA 55 -11.792 16.809 -5.285 374 HB3 ALA 55 HB3 ALA 55 -11.975 16.093 -3.666 375 H ILE 56 H ILE 56 -14.068 18.557 -6.510 376 HA ILE 56 HA ILE 56 -16.563 17.330 -7.271 377 HB ILE 56 HB ILE 56 -14.952 19.549 -8.538 378 HG12 ILE 56 HG12 ILE 56 -17.454 19.873 -6.885 379 HG13 ILE 56 HG13 ILE 56 -15.871 19.839 -6.135 380 HG21 ILE 56 HG21 ILE 56 -17.566 18.270 -9.217 381 HG22 ILE 56 HG22 ILE 56 -17.392 20.028 -9.433 382 HG23 ILE 56 HG23 ILE 56 -16.291 18.914 -10.279 383 HD11 ILE 56 HD11 ILE 56 -15.157 21.676 -7.765 384 HD12 ILE 56 HD12 ILE 56 -16.866 21.796 -8.249 385 HD13 ILE 56 HD13 ILE 56 -16.388 22.156 -6.572 386 H ALA 57 H ALA 57 -15.671 15.138 -7.582 387 HA ALA 57 HA ALA 57 -15.051 14.719 -10.316 388 HB1 ALA 57 HB1 ALA 57 -12.814 15.437 -9.367 389 HB2 ALA 57 HB2 ALA 57 -12.868 13.994 -8.326 390 HB3 ALA 57 HB3 ALA 57 -12.829 13.813 -10.096 391 H ASN 58 H ASN 58 -14.467 13.178 -7.067 392 HA ASN 58 HA ASN 58 -15.680 10.785 -8.092 393 HB2 ASN 58 HB2 ASN 58 -13.758 11.448 -6.040 394 HB3 ASN 58 HB3 ASN 58 -15.105 10.656 -5.246 395 HD21 ASN 58 HD21 ASN 58 -12.772 10.404 -7.877 396 HD22 ASN 58 HD22 ASN 58 -12.724 8.676 -7.984 397 H GLY 59 H GLY 59 -16.039 13.087 -5.285 398 HA2 GLY 59 HA2 GLY 59 -18.539 13.785 -5.223 399 HA3 GLY 59 HA3 GLY 59 -18.765 12.093 -4.827 400 H GLY 60 H GLY 60 -16.962 11.309 -3.065 401 HA2 GLY 60 HA2 GLY 60 -15.881 12.974 -1.189 402 HA3 GLY 60 HA3 GLY 60 -17.562 12.840 -0.714 403 H GLY 61 H GLY 61 -15.166 11.818 0.704 404 HA2 GLY 61 HA2 GLY 61 -14.465 9.975 1.783 405 HA3 GLY 61 HA3 GLY 61 -16.105 9.385 1.607 406 H VAL 62 H VAL 62 -14.133 7.492 1.607 407 HA VAL 62 HA VAL 62 -13.013 5.970 0.410 408 HB VAL 62 HB VAL 62 -15.594 6.187 -1.151 409 HG11 VAL 62 HG11 VAL 62 -14.080 3.619 -0.895 410 HG12 VAL 62 HG12 VAL 62 -15.158 4.190 -2.191 411 HG13 VAL 62 HG13 VAL 62 -13.500 4.826 -2.068 412 HG21 VAL 62 HG21 VAL 62 -16.640 5.070 0.502 413 HG22 VAL 62 HG22 VAL 62 -15.246 4.005 0.801 414 HG23 VAL 62 HG23 VAL 62 -15.292 5.634 1.519 415 H ALA 63 H ALA 63 -11.249 7.321 -0.299 416 HA ALA 63 HA ALA 63 -9.863 8.078 -1.851 417 HB1 ALA 63 HB1 ALA 63 -10.692 6.028 -3.095 418 HB2 ALA 63 HB2 ALA 63 -11.841 7.093 -3.939 419 HB3 ALA 63 HB3 ALA 63 -10.090 7.345 -4.131 420 H ALA 64 H ALA 64 -9.790 10.272 -1.653 421 HA ALA 64 HA ALA 64 -11.355 11.827 -3.471 422 HB1 ALA 64 HB1 ALA 64 -12.591 11.304 -1.063 423 HB2 ALA 64 HB2 ALA 64 -11.746 12.832 -0.720 424 HB3 ALA 64 HB3 ALA 64 -12.894 12.736 -2.076 425 H GLY 65 H GLY 65 -9.566 12.809 -4.333 426 HA2 GLY 65 HA2 GLY 65 -8.316 14.917 -3.737 427 HA3 GLY 65 HA3 GLY 65 -7.629 13.974 -2.429 428 H SER 66 H SER 66 -5.918 15.122 -4.295 429 HA SER 66 HA SER 66 -5.373 13.673 -6.535 430 HB2 SER 66 HB2 SER 66 -4.325 15.883 -5.521 431 HB3 SER 66 HB3 SER 66 -3.133 14.795 -4.839 432 HG SER 66 HG SER 66 -2.667 15.745 -7.035 433 H LEU 67 H LEU 67 -4.732 12.949 -3.122 434 HA LEU 67 HA LEU 67 -2.671 11.189 -3.240 435 HB2 LEU 67 HB2 LEU 67 -3.811 10.055 -1.309 436 HB3 LEU 67 HB3 LEU 67 -3.517 11.776 -1.152 437 HG LEU 67 HG LEU 67 -6.064 11.753 -2.177 438 HD11 LEU 67 HD11 LEU 67 -6.868 9.949 -0.200 439 HD12 LEU 67 HD12 LEU 67 -6.987 9.744 -1.964 440 HD13 LEU 67 HD13 LEU 67 -5.572 9.113 -1.088 441 HD21 LEU 67 HD21 LEU 67 -5.862 11.572 0.777 442 HD22 LEU 67 HD22 LEU 67 -4.832 12.784 -0.021 443 HD23 LEU 67 HD23 LEU 67 -6.595 12.821 -0.258 444 H VAL 68 H VAL 68 -5.953 10.824 -4.515 445 HA VAL 68 HA VAL 68 -6.186 8.110 -4.684 446 HB VAL 68 HB VAL 68 -7.631 8.529 -6.594 447 HG11 VAL 68 HG11 VAL 68 -7.780 9.954 -4.058 448 HG12 VAL 68 HG12 VAL 68 -8.675 10.798 -5.345 449 HG13 VAL 68 HG13 VAL 68 -9.052 9.100 -4.964 450 HG21 VAL 68 HG21 VAL 68 -6.448 10.050 -7.955 451 HG22 VAL 68 HG22 VAL 68 -7.861 10.962 -7.371 452 HG23 VAL 68 HG23 VAL 68 -6.264 11.226 -6.632 453 H ALA 69 H ALA 69 -4.557 10.337 -7.047 454 HA ALA 69 HA ALA 69 -3.744 8.395 -8.828 455 HB1 ALA 69 HB1 ALA 69 -3.580 11.088 -8.683 456 HB2 ALA 69 HB2 ALA 69 -1.901 10.676 -8.262 457 HB3 ALA 69 HB3 ALA 69 -2.594 10.120 -9.805 458 H ILE 70 H ILE 70 -2.387 9.405 -5.675 459 HA ILE 70 HA ILE 70 0.035 7.963 -6.010 460 HB ILE 70 HB ILE 70 -1.355 9.115 -3.591 461 HG12 ILE 70 HG12 ILE 70 -0.674 10.781 -5.242 462 HG13 ILE 70 HG13 ILE 70 0.285 10.905 -3.781 463 HG21 ILE 70 HG21 ILE 70 -0.002 7.785 -2.402 464 HG22 ILE 70 HG22 ILE 70 1.011 7.385 -3.810 465 HG23 ILE 70 HG23 ILE 70 1.289 8.898 -2.915 466 HD11 ILE 70 HD11 ILE 70 2.139 10.749 -5.072 467 HD12 ILE 70 HD12 ILE 70 1.690 9.061 -5.413 468 HD13 ILE 70 HD13 ILE 70 1.161 10.362 -6.507 469 H LEU 71 H LEU 71 -3.260 7.202 -4.956 470 HA LEU 71 HA LEU 71 -2.594 4.822 -3.590 471 HB2 LEU 71 HB2 LEU 71 -4.809 6.399 -3.860 472 HB3 LEU 71 HB3 LEU 71 -5.249 5.016 -4.841 473 HG LEU 71 HG LEU 71 -6.068 4.792 -2.554 474 HD11 LEU 71 HD11 LEU 71 -3.853 2.775 -2.947 475 HD12 LEU 71 HD12 LEU 71 -5.442 2.544 -2.180 476 HD13 LEU 71 HD13 LEU 71 -5.332 2.800 -3.938 477 HD21 LEU 71 HD21 LEU 71 -4.801 4.895 -0.640 478 HD22 LEU 71 HD22 LEU 71 -3.288 4.478 -1.481 479 HD23 LEU 71 HD23 LEU 71 -3.983 6.108 -1.654 480 H GLN 72 H GLN 72 -3.582 5.597 -6.976 481 HA GLN 72 HA GLN 72 -3.699 2.943 -7.790 482 HB2 GLN 72 HB2 GLN 72 -3.886 5.590 -8.989 483 HB3 GLN 72 HB3 GLN 72 -2.952 4.533 -10.029 484 HG2 GLN 72 HG2 GLN 72 -4.775 2.824 -9.937 485 HG3 GLN 72 HG3 GLN 72 -5.707 3.870 -8.885 486 HE21 GLN 72 HE21 GLN 72 -5.102 2.948 -12.024 487 HE22 GLN 72 HE22 GLN 72 -5.855 4.246 -12.890 488 H SER 73 H SER 73 -1.074 5.436 -8.064 489 HA SER 73 HA SER 73 0.711 3.725 -9.330 490 HB2 SER 73 HB2 SER 73 1.103 6.084 -9.463 491 HB3 SER 73 HB3 SER 73 1.037 6.281 -7.723 492 HG SER 73 HG SER 73 3.089 4.832 -9.171 493 H VAL 74 H VAL 74 0.991 5.051 -5.948 494 HA VAL 74 HA VAL 74 2.872 3.323 -5.031 495 HB VAL 74 HB VAL 74 1.555 5.372 -4.003 496 HG11 VAL 74 HG11 VAL 74 0.368 3.215 -2.281 497 HG12 VAL 74 HG12 VAL 74 -0.122 4.915 -2.479 498 HG13 VAL 74 HG13 VAL 74 -0.485 3.729 -3.756 499 HG21 VAL 74 HG21 VAL 74 2.498 4.740 -1.760 500 HG22 VAL 74 HG22 VAL 74 2.880 3.138 -2.434 501 HG23 VAL 74 HG23 VAL 74 3.646 4.595 -3.113 502 H GLY 75 H GLY 75 -0.584 2.736 -5.622 503 HA2 GLY 75 HA2 GLY 75 -0.916 0.411 -4.103 504 HA3 GLY 75 HA3 GLY 75 -1.825 0.865 -5.530 505 H ALA 76 H ALA 76 -0.475 0.617 -7.709 506 HA ALA 76 HA ALA 76 0.134 -2.115 -7.934 507 HB1 ALA 76 HB1 ALA 76 0.825 -1.430 -10.255 508 HB2 ALA 76 HB2 ALA 76 -0.791 -0.851 -9.785 509 HB3 ALA 76 HB3 ALA 76 0.593 0.267 -9.772 510 H ALA 77 H ALA 77 2.286 0.784 -8.408 511 HA ALA 77 HA ALA 77 4.658 -0.498 -8.607 512 HB1 ALA 77 HB1 ALA 77 5.165 1.770 -7.008 513 HB2 ALA 77 HB2 ALA 77 5.167 1.685 -8.786 514 HB3 ALA 77 HB3 ALA 77 3.686 2.155 -7.920 515 H GLY 78 H GLY 78 3.322 0.802 -5.478 516 HA2 GLY 78 HA2 GLY 78 5.133 -0.197 -3.731 517 HA3 GLY 78 HA3 GLY 78 3.419 -0.055 -3.391 518 H LEU 79 H LEU 79 1.991 -1.921 -4.324 519 HA LEU 79 HA LEU 79 2.614 -4.256 -3.129 520 HB2 LEU 79 HB2 LEU 79 0.458 -3.424 -4.254 521 HB3 LEU 79 HB3 LEU 79 1.081 -4.162 -5.715 522 HG LEU 79 HG LEU 79 1.348 -6.256 -4.032 523 HD11 LEU 79 HD11 LEU 79 0.050 -6.259 -2.213 524 HD12 LEU 79 HD12 LEU 79 0.032 -4.488 -2.393 525 HD13 LEU 79 HD13 LEU 79 -1.302 -5.464 -3.054 526 HD21 LEU 79 HD21 LEU 79 -1.025 -6.902 -4.866 527 HD22 LEU 79 HD22 LEU 79 -0.946 -5.364 -5.758 528 HD23 LEU 79 HD23 LEU 79 0.274 -6.627 -6.051 529 H SER 80 H SER 80 3.731 -3.065 -6.297 530 HA SER 80 HA SER 80 4.666 -5.493 -7.245 531 HB2 SER 80 HB2 SER 80 4.609 -2.812 -8.109 532 HB3 SER 80 HB3 SER 80 6.317 -3.197 -8.041 533 HG SER 80 HG SER 80 4.569 -5.107 -9.245 534 H VAL 81 H VAL 81 6.815 -2.745 -6.232 535 HA VAL 81 HA VAL 81 9.075 -4.181 -5.835 536 HB VAL 81 HB VAL 81 8.008 -1.761 -4.378 537 HG11 VAL 81 HG11 VAL 81 10.589 -1.398 -4.026 538 HG12 VAL 81 HG12 VAL 81 9.657 -2.403 -2.891 539 HG13 VAL 81 HG13 VAL 81 10.650 -3.172 -4.152 540 HG21 VAL 81 HG21 VAL 81 10.219 -1.675 -6.392 541 HG22 VAL 81 HG22 VAL 81 8.555 -1.913 -6.977 542 HG23 VAL 81 HG23 VAL 81 8.963 -0.471 -6.017 543 H THR 82 H THR 82 6.164 -4.077 -3.825 544 HA THR 82 HA THR 82 7.320 -5.082 -1.459 545 HB THR 82 HB THR 82 4.481 -5.200 -2.608 546 HG1 THR 82 HG1 THR 82 4.522 -3.114 -1.848 547 HG21 THR 82 HG21 THR 82 4.087 -5.071 0.036 548 HG22 THR 82 HG22 THR 82 4.303 -6.651 -0.756 549 HG23 THR 82 HG23 THR 82 5.667 -5.888 0.095 550 H SER 83 H SER 83 4.924 -6.994 -3.327 551 HA SER 83 HA SER 83 5.678 -9.385 -2.447 552 HB2 SER 83 HB2 SER 83 4.436 -8.401 -4.979 553 HB3 SER 83 HB3 SER 83 5.038 -10.046 -5.027 554 HG SER 83 HG SER 83 3.436 -10.695 -3.753 555 H LYS 84 H LYS 84 7.152 -7.545 -5.182 556 HA LYS 84 HA LYS 84 8.804 -9.457 -6.212 557 HB2 LYS 84 HB2 LYS 84 8.755 -6.504 -6.089 558 HB3 LYS 84 HB3 LYS 84 10.335 -7.197 -6.393 559 HG2 LYS 84 HG2 LYS 84 9.039 -8.712 -8.146 560 HG3 LYS 84 HG3 LYS 84 7.804 -7.473 -8.036 561 HD2 LYS 84 HD2 LYS 84 10.551 -6.386 -8.350 562 HD3 LYS 84 HD3 LYS 84 10.031 -7.375 -9.700 563 HE2 LYS 84 HE2 LYS 84 8.168 -5.253 -8.589 564 HE3 LYS 84 HE3 LYS 84 9.462 -4.789 -9.676 565 HZ1 LYS 84 HZ1 LYS 84 7.702 -5.271 -11.108 566 HZ2 LYS 84 HZ2 LYS 84 8.515 -6.681 -11.150 567 HZ3 LYS 84 HZ3 LYS 84 7.194 -6.531 -10.196 568 H VAL 85 H VAL 85 9.600 -7.135 -3.529 569 HA VAL 85 HA VAL 85 12.078 -8.297 -2.971 570 HB VAL 85 HB VAL 85 10.720 -6.070 -2.224 571 HG11 VAL 85 HG11 VAL 85 10.487 -6.151 0.254 572 HG12 VAL 85 HG12 VAL 85 9.321 -7.193 -0.596 573 HG13 VAL 85 HG13 VAL 85 10.747 -7.911 0.190 574 HG21 VAL 85 HG21 VAL 85 13.220 -6.610 -2.264 575 HG22 VAL 85 HG22 VAL 85 12.663 -5.459 -1.025 576 HG23 VAL 85 HG23 VAL 85 13.020 -7.145 -0.578 577 H ILE 86 H ILE 86 8.763 -9.215 -2.180 578 HA ILE 86 HA ILE 86 9.493 -10.891 0.008 579 HB ILE 86 HB ILE 86 6.980 -10.714 -1.658 580 HG12 ILE 86 HG12 ILE 86 7.483 -9.601 1.111 581 HG13 ILE 86 HG13 ILE 86 7.722 -8.661 -0.348 582 HG21 ILE 86 HG21 ILE 86 7.197 -12.908 -0.582 583 HG22 ILE 86 HG22 ILE 86 7.439 -12.113 0.992 584 HG23 ILE 86 HG23 ILE 86 5.886 -11.944 0.139 585 HD11 ILE 86 HD11 ILE 86 5.478 -8.405 -0.705 586 HD12 ILE 86 HD12 ILE 86 5.123 -10.093 -0.269 587 HD13 ILE 86 HD13 ILE 86 5.327 -8.868 1.007 588 H GLY 87 H GLY 87 7.921 -11.842 -3.119 589 HA2 GLY 87 HA2 GLY 87 9.723 -14.190 -3.146 590 HA3 GLY 87 HA3 GLY 87 8.048 -14.214 -3.662 591 H GLY 88 H GLY 88 7.574 -13.828 -5.800 592 HA2 GLY 88 HA2 GLY 88 9.177 -12.095 -7.421 593 HA3 GLY 88 HA3 GLY 88 9.483 -13.787 -7.762 594 H PHE 89 H PHE 89 6.981 -14.992 -7.404 595 HA PHE 89 HA PHE 89 4.845 -13.604 -8.518 596 HB2 PHE 89 HB2 PHE 89 4.944 -14.557 -10.831 597 HB3 PHE 89 HB3 PHE 89 6.379 -13.598 -10.526 598 HD1 PHE 89 HD2 PHE 89 8.464 -14.912 -9.659 599 HD2 PHE 89 HD1 PHE 89 5.172 -16.724 -11.630 600 HE1 PHE 89 HE2 PHE 89 9.906 -16.876 -10.262 601 HE2 PHE 89 HE1 PHE 89 6.614 -18.688 -12.233 602 HZ PHE 89 HZ PHE 89 8.964 -18.741 -11.542 603 H ALA 90 H ALA 90 3.835 -14.807 -6.806 604 HA ALA 90 HA ALA 90 2.860 -16.552 -5.841 605 HB1 ALA 90 HB1 ALA 90 1.385 -16.417 -7.720 606 HB2 ALA 90 HB2 ALA 90 2.556 -17.231 -8.786 607 HB3 ALA 90 HB3 ALA 90 1.743 -18.146 -7.494 608 H GLY 91 H GLY 91 5.034 -17.091 -4.904 609 HA2 GLY 91 HA2 GLY 91 5.592 -19.657 -4.617 610 HA3 GLY 91 HA3 GLY 91 6.388 -19.358 -6.150 611 H THR 92 H THR 92 7.630 -20.073 -3.558 612 HA THR 92 HA THR 92 9.191 -19.378 -2.098 613 HB THR 92 HB THR 92 11.166 -18.422 -3.313 614 HG1 THR 92 HG1 THR 92 10.697 -17.281 -5.170 615 HG21 THR 92 HG21 THR 92 10.822 -20.798 -3.786 616 HG22 THR 92 HG22 THR 92 9.492 -20.427 -4.909 617 HG23 THR 92 HG23 THR 92 11.164 -19.991 -5.335 618 H ALA 93 H ALA 93 8.107 -18.158 -0.566 619 HA ALA 93 HA ALA 93 8.777 -15.360 -0.642 620 HB1 ALA 93 HB1 ALA 93 5.904 -16.348 -0.731 621 HB2 ALA 93 HB2 ALA 93 6.358 -14.721 -0.169 622 HB3 ALA 93 HB3 ALA 93 6.706 -15.213 -1.844 623 H LEU 94 H LEU 94 8.326 -14.330 1.510 624 HA LEU 94 HA LEU 94 8.488 -14.337 3.711 625 HB2 LEU 94 HB2 LEU 94 6.266 -15.867 3.112 626 HB3 LEU 94 HB3 LEU 94 7.147 -16.878 4.241 627 HG LEU 94 HG LEU 94 7.270 -14.586 5.617 628 HD11 LEU 94 HD11 LEU 94 4.933 -13.532 5.394 629 HD12 LEU 94 HD12 LEU 94 6.176 -13.091 4.199 630 HD13 LEU 94 HD13 LEU 94 4.909 -14.267 3.773 631 HD21 LEU 94 HD21 LEU 94 5.152 -16.712 5.516 632 HD22 LEU 94 HD22 LEU 94 6.423 -16.425 6.729 633 HD23 LEU 94 HD23 LEU 94 5.004 -15.353 6.655 634 H GLY 95 H GLY 95 10.475 -14.581 4.566 635 HA2 GLY 95 HA2 GLY 95 11.477 -16.925 5.591 636 HA3 GLY 95 HA3 GLY 95 12.096 -16.853 3.953 637 H ALA 96 H ALA 96 13.938 -16.768 5.992 638 HA ALA 96 HA ALA 96 14.492 -14.111 6.835 639 HB1 ALA 96 HB1 ALA 96 15.657 -15.367 8.290 640 HB2 ALA 96 HB2 ALA 96 15.472 -16.810 7.265 641 HB3 ALA 96 HB3 ALA 96 16.831 -15.693 6.993 642 H TRP 97 H TRP 97 14.102 -13.403 4.405 643 HA TRP 97 HA TRP 97 14.967 -12.470 2.594 644 HB2 TRP 97 HB2 TRP 97 17.475 -12.695 4.243 645 HB3 TRP 97 HB3 TRP 97 17.501 -12.031 2.621 646 HD1 TRP 97 HD1 TRP 97 17.399 -10.746 5.968 647 HE1 TRP 97 HE1 TRP 97 16.288 -8.368 6.233 648 HE3 TRP 97 HE3 TRP 97 15.054 -10.760 1.456 649 HZ2 TRP 97 HZ2 TRP 97 14.590 -6.794 4.563 650 HZ3 TRP 97 HZ3 TRP 97 13.690 -8.763 0.851 651 HH2 TRP 97 HH2 TRP 97 13.438 -6.826 2.320 652 H LEU 98 H LEU 98 14.773 -13.673 0.754 653 HA LEU 98 HA LEU 98 16.853 -15.546 0.112 654 HB2 LEU 98 HB2 LEU 98 15.341 -16.890 1.516 655 HB3 LEU 98 HB3 LEU 98 14.011 -16.518 0.437 656 HG LEU 98 HG LEU 98 16.009 -17.568 -1.233 657 HD11 LEU 98 HD11 LEU 98 17.363 -18.609 0.276 658 HD12 LEU 98 HD12 LEU 98 16.063 -18.824 1.472 659 HD13 LEU 98 HD13 LEU 98 16.147 -19.889 0.049 660 HD21 LEU 98 HD21 LEU 98 14.416 -19.554 -1.301 661 HD22 LEU 98 HD22 LEU 98 13.446 -18.683 -0.090 662 HD23 LEU 98 HD23 LEU 98 13.732 -17.957 -1.690 663 H GLY 99 H GLY 99 16.856 -13.418 -1.248 664 HA2 GLY 99 HA2 GLY 99 14.837 -13.022 -3.187 665 HA3 GLY 99 HA3 GLY 99 16.468 -12.381 -3.208 666 H SER 100 H SER 100 17.986 -13.244 -4.609 667 HA SER 100 HA SER 100 17.299 -15.806 -5.800 668 HB2 SER 100 HB2 SER 100 18.119 -13.275 -7.289 669 HB3 SER 100 HB3 SER 100 18.114 -14.866 -8.024 670 HG SER 100 HG SER 100 16.049 -14.517 -8.436 671 HA PRO 101 HA PRO 101 21.601 -15.743 -4.429 672 HB2 PRO 101 HB2 PRO 101 21.608 -18.200 -3.232 673 HB3 PRO 101 HB3 PRO 101 21.271 -16.713 -2.367 674 HG2 PRO 101 HG2 PRO 101 19.388 -18.819 -3.239 675 HG3 PRO 101 HG3 PRO 101 19.155 -17.569 -2.033 676 HD2 PRO 101 HD2 PRO 101 18.096 -17.601 -4.699 677 HD3 PRO 101 HD3 PRO 101 17.961 -16.300 -3.533 678 HA PRO 102 HA PRO 102 23.319 -18.094 -7.518 679 HB2 PRO 102 HB2 PRO 102 25.749 -18.881 -6.545 680 HB3 PRO 102 HB3 PRO 102 25.444 -17.275 -7.178 681 HG2 PRO 102 HG2 PRO 102 25.734 -18.134 -4.364 682 HG3 PRO 102 HG3 PRO 102 25.855 -16.521 -5.037 683 HD2 PRO 102 HD2 PRO 102 23.636 -17.612 -3.583 684 HD3 PRO 102 HD3 PRO 102 23.712 -16.040 -4.356 685 H SER 103 H SER 103 21.693 -19.691 -7.646 686 HA SER 103 HA SER 103 22.641 -22.157 -6.409 687 HB2 SER 103 HB2 SER 103 20.321 -22.897 -6.256 688 HB3 SER 103 HB3 SER 103 20.472 -21.330 -5.485 689 HG SER 103 HG SER 103 18.594 -21.612 -6.974 690 H SER 104 H SER 104 22.189 -24.174 -7.687 691 HA SER 104 HA SER 104 21.797 -23.597 -10.509 692 HB2 SER 104 HB2 SER 104 24.237 -24.532 -9.242 693 HB3 SER 104 HB3 SER 104 23.632 -25.779 -10.314 694 HG SER 104 HG SER 104 23.758 -24.395 -12.075 Start of MODEL 2 1 H MET 1 H1 MET 1 -5.715 -17.448 -3.874 2 HA MET 1 HA MET 1 -3.594 -18.035 -3.902 3 HB2 MET 1 HB2 MET 1 -4.494 -19.355 -6.468 4 HB3 MET 1 HB3 MET 1 -2.771 -19.083 -6.293 5 HG2 MET 1 HG2 MET 1 -2.686 -20.989 -5.055 6 HG3 MET 1 HG3 MET 1 -3.534 -20.126 -3.787 7 HE1 MET 1 HE1 MET 1 -5.007 -23.229 -3.441 8 HE2 MET 1 HE2 MET 1 -4.503 -23.812 -5.046 9 HE3 MET 1 HE3 MET 1 -3.371 -22.870 -4.046 10 H GLY 2 H GLY 2 -3.037 -15.807 -3.800 11 HA2 GLY 2 HA2 GLY 2 -1.584 -14.200 -4.610 12 HA3 GLY 2 HA3 GLY 2 -1.811 -14.787 -6.246 13 H LYS 3 H LYS 3 -3.029 -13.531 -7.588 14 HA LYS 3 HA LYS 3 -4.416 -11.293 -6.488 15 HB2 LYS 3 HB2 LYS 3 -4.790 -10.670 -8.792 16 HB3 LYS 3 HB3 LYS 3 -3.125 -11.173 -8.583 17 HG2 LYS 3 HG2 LYS 3 -3.391 -13.099 -9.852 18 HG3 LYS 3 HG3 LYS 3 -5.054 -13.333 -9.354 19 HD2 LYS 3 HD2 LYS 3 -5.363 -11.024 -10.760 20 HD3 LYS 3 HD3 LYS 3 -3.956 -11.657 -11.591 21 HE2 LYS 3 HE2 LYS 3 -5.184 -13.836 -11.946 22 HE3 LYS 3 HE3 LYS 3 -6.600 -13.138 -11.185 23 HZ1 LYS 3 HZ1 LYS 3 -5.386 -11.689 -13.435 24 HZ2 LYS 3 HZ2 LYS 3 -6.298 -12.997 -13.767 25 HZ3 LYS 3 HZ3 LYS 3 -6.937 -11.753 -12.918 26 H GLU 4 H GLU 4 -6.727 -10.799 -6.982 27 HA GLU 4 HA GLU 4 -8.398 -12.971 -7.673 28 HB2 GLU 4 HB2 GLU 4 -7.665 -12.866 -4.963 29 HB3 GLU 4 HB3 GLU 4 -9.239 -12.095 -4.994 30 HG2 GLU 4 HG2 GLU 4 -10.044 -14.237 -4.916 31 HG3 GLU 4 HG3 GLU 4 -9.727 -14.238 -6.640 32 H SER 5 H SER 5 -10.649 -12.279 -7.953 33 HA SER 5 HA SER 5 -10.970 -9.400 -7.660 34 HB2 SER 5 HB2 SER 5 -12.157 -9.368 -9.867 35 HB3 SER 5 HB3 SER 5 -10.460 -9.781 -10.009 36 HG SER 5 HG SER 5 -11.420 -12.132 -9.789 37 H GLY 6 H GLY 6 -12.457 -9.397 -5.970 38 HA2 GLY 6 HA2 GLY 6 -15.011 -9.509 -6.008 39 HA3 GLY 6 HA3 GLY 6 -14.755 -11.234 -6.179 40 H TRP 7 H TRP 7 -12.983 -12.128 -4.492 41 HA TRP 7 HA TRP 7 -12.934 -10.753 -1.991 42 HB2 TRP 7 HB2 TRP 7 -14.171 -12.483 -0.729 43 HB3 TRP 7 HB3 TRP 7 -15.178 -11.487 -1.761 44 HD1 TRP 7 HD1 TRP 7 -16.598 -12.760 -3.624 45 HE1 TRP 7 HE1 TRP 7 -17.012 -15.264 -4.344 46 HE3 TRP 7 HE3 TRP 7 -12.817 -14.731 -0.854 47 HZ2 TRP 7 HZ2 TRP 7 -15.739 -17.734 -3.689 48 HZ3 TRP 7 HZ3 TRP 7 -12.470 -17.198 -0.951 49 HH2 TRP 7 HH2 TRP 7 -13.858 -18.685 -2.306 50 H ASP 8 H ASP 8 -11.681 -12.124 -0.371 51 HA ASP 8 HA ASP 8 -10.346 -14.376 -1.548 52 HB2 ASP 8 HB2 ASP 8 -9.008 -12.333 -2.220 53 HB3 ASP 8 HB3 ASP 8 -8.795 -11.951 -0.523 54 H SER 9 H SER 9 -10.174 -11.908 1.138 55 HA SER 9 HA SER 9 -10.317 -14.143 3.000 56 HB2 SER 9 HB2 SER 9 -8.869 -12.496 4.503 57 HB3 SER 9 HB3 SER 9 -8.098 -13.572 3.355 58 HG SER 9 HG SER 9 -7.563 -11.116 3.399 59 H GLY 10 H GLY 10 -11.433 -13.657 5.028 60 HA2 GLY 10 HA2 GLY 10 -13.345 -11.457 4.721 61 HA3 GLY 10 HA3 GLY 10 -13.483 -12.846 5.781 62 H ARG 11 H ARG 11 -13.333 -12.321 7.911 63 HA ARG 11 HA ARG 11 -12.544 -9.887 8.810 64 HB2 ARG 11 HB2 ARG 11 -13.281 -12.462 9.949 65 HB3 ARG 11 HB3 ARG 11 -11.962 -11.787 10.885 66 HG2 ARG 11 HG2 ARG 11 -13.232 -9.643 11.129 67 HG3 ARG 11 HG3 ARG 11 -14.552 -10.318 10.195 68 HD2 ARG 11 HD2 ARG 11 -15.376 -11.444 11.998 69 HD3 ARG 11 HD3 ARG 11 -13.809 -12.127 12.381 70 HE ARG 11 HE ARG 11 -13.751 -9.372 13.112 71 HH11 ARG 11 HH22 ARG 11 -15.357 -12.367 14.113 72 HH12 ARG 11 HH21 ARG 11 -15.551 -11.860 15.758 73 HH21 ARG 11 HH12 ARG 11 -14.008 -8.725 15.251 74 HH22 ARG 11 HH11 ARG 11 -14.775 -9.770 16.404 75 H ALA 12 H ALA 12 -10.657 -12.987 8.682 76 HA ALA 12 HA ALA 12 -8.372 -12.262 9.926 77 HB1 ALA 12 HB1 ALA 12 -9.182 -14.417 8.559 78 HB2 ALA 12 HB2 ALA 12 -8.131 -13.707 7.310 79 HB3 ALA 12 HB3 ALA 12 -7.462 -14.120 8.907 80 H ALA 13 H ALA 13 -9.422 -11.406 6.586 81 HA ALA 13 HA ALA 13 -7.194 -10.357 5.523 82 HB1 ALA 13 HB1 ALA 13 -8.624 -9.076 4.146 83 HB2 ALA 13 HB2 ALA 13 -9.643 -10.436 4.674 84 HB3 ALA 13 HB3 ALA 13 -9.816 -8.842 5.447 85 H VAL 14 H VAL 14 -9.431 -8.616 7.797 86 HA VAL 14 HA VAL 14 -8.158 -6.229 7.931 87 HB VAL 14 HB VAL 14 -9.483 -7.857 10.104 88 HG11 VAL 14 HG11 VAL 14 -8.568 -6.339 11.507 89 HG12 VAL 14 HG12 VAL 14 -8.195 -5.194 10.197 90 HG13 VAL 14 HG13 VAL 14 -9.840 -5.269 10.873 91 HG21 VAL 14 HG21 VAL 14 -10.481 -5.703 8.215 92 HG22 VAL 14 HG22 VAL 14 -10.989 -7.408 8.290 93 HG23 VAL 14 HG23 VAL 14 -11.398 -6.298 9.621 94 H ALA 15 H ALA 15 -7.393 -9.198 9.875 95 HA ALA 15 HA ALA 15 -5.310 -8.130 11.329 96 HB1 ALA 15 HB1 ALA 15 -5.691 -10.951 10.245 97 HB2 ALA 15 HB2 ALA 15 -4.599 -10.494 11.575 98 HB3 ALA 15 HB3 ALA 15 -6.359 -10.310 11.765 99 H ALA 16 H ALA 16 -5.362 -9.551 8.014 100 HA ALA 16 HA ALA 16 -2.606 -9.556 7.617 101 HB1 ALA 16 HB1 ALA 16 -3.443 -10.636 5.830 102 HB2 ALA 16 HB2 ALA 16 -5.058 -9.935 6.095 103 HB3 ALA 16 HB3 ALA 16 -3.848 -9.047 5.138 104 H VAL 17 H VAL 17 -5.071 -6.980 7.432 105 HA VAL 17 HA VAL 17 -3.242 -5.147 6.179 106 HB VAL 17 HB VAL 17 -6.006 -4.853 7.367 107 HG11 VAL 17 HG11 VAL 17 -4.071 -2.839 6.441 108 HG12 VAL 17 HG12 VAL 17 -5.665 -2.724 5.658 109 HG13 VAL 17 HG13 VAL 17 -5.538 -2.653 7.432 110 HG21 VAL 17 HG21 VAL 17 -5.318 -4.650 4.444 111 HG22 VAL 17 HG22 VAL 17 -5.531 -6.245 5.206 112 HG23 VAL 17 HG23 VAL 17 -6.865 -5.066 5.220 113 H VAL 18 H VAL 18 -3.968 -6.296 9.383 114 HA VAL 18 HA VAL 18 -3.192 -3.905 10.736 115 HB VAL 18 HB VAL 18 -3.737 -6.757 11.524 116 HG11 VAL 18 HG11 VAL 18 -3.531 -5.891 13.923 117 HG12 VAL 18 HG12 VAL 18 -2.015 -6.202 13.045 118 HG13 VAL 18 HG13 VAL 18 -2.605 -4.534 13.237 119 HG21 VAL 18 HG21 VAL 18 -5.602 -5.134 10.975 120 HG22 VAL 18 HG22 VAL 18 -5.676 -5.871 12.593 121 HG23 VAL 18 HG23 VAL 18 -5.101 -4.197 12.403 122 H GLY 19 H GLY 19 -1.671 -7.204 10.488 123 HA2 GLY 19 HA2 GLY 19 0.740 -6.730 11.599 124 HA3 GLY 19 HA3 GLY 19 0.500 -7.774 10.212 125 H GLY 20 H GLY 20 2.202 -5.102 11.345 126 HA2 GLY 20 HA2 GLY 20 3.927 -4.284 9.861 127 HA3 GLY 20 HA3 GLY 20 2.730 -4.181 8.585 128 H VAL 21 H VAL 21 2.006 -3.301 11.974 129 HA VAL 21 HA VAL 21 0.768 -0.973 11.497 130 HB VAL 21 HB VAL 21 1.636 -0.305 13.807 131 HG11 VAL 21 HG11 VAL 21 0.170 -2.879 13.214 132 HG12 VAL 21 HG12 VAL 21 0.407 -2.300 14.880 133 HG13 VAL 21 HG13 VAL 21 -0.489 -1.302 13.710 134 HG21 VAL 21 HG21 VAL 21 2.528 -2.692 14.821 135 HG22 VAL 21 HG22 VAL 21 3.333 -2.647 13.235 136 HG23 VAL 21 HG23 VAL 21 3.566 -1.312 14.389 137 H VAL 22 H VAL 22 4.278 -1.128 12.452 138 HA VAL 22 HA VAL 22 4.889 1.483 12.013 139 HB VAL 22 HB VAL 22 6.522 -1.018 11.556 140 HG11 VAL 22 HG11 VAL 22 7.426 1.011 10.352 141 HG12 VAL 22 HG12 VAL 22 7.600 1.790 11.944 142 HG13 VAL 22 HG13 VAL 22 8.512 0.306 11.574 143 HG21 VAL 22 HG21 VAL 22 7.499 -0.276 13.800 144 HG22 VAL 22 HG22 VAL 22 6.108 0.828 13.918 145 HG23 VAL 22 HG23 VAL 22 5.844 -0.930 13.820 146 H ALA 23 H ALA 23 4.591 -1.180 9.614 147 HA ALA 23 HA ALA 23 5.665 0.085 7.424 148 HB1 ALA 23 HB1 ALA 23 4.878 -1.749 6.344 149 HB2 ALA 23 HB2 ALA 23 4.401 -2.300 7.968 150 HB3 ALA 23 HB3 ALA 23 3.213 -1.491 6.917 151 H VAL 24 H VAL 24 2.269 0.197 8.694 152 HA VAL 24 HA VAL 24 1.423 2.010 6.683 153 HB VAL 24 HB VAL 24 -0.623 2.069 7.892 154 HG11 VAL 24 HG11 VAL 24 -0.211 -0.688 8.641 155 HG12 VAL 24 HG12 VAL 24 -1.102 -0.014 7.255 156 HG13 VAL 24 HG13 VAL 24 0.643 -0.336 7.120 157 HG21 VAL 24 HG21 VAL 24 -0.896 1.816 10.125 158 HG22 VAL 24 HG22 VAL 24 0.283 0.487 10.229 159 HG23 VAL 24 HG23 VAL 24 0.846 2.174 10.174 160 H GLY 25 H GLY 25 3.219 2.284 9.664 161 HA2 GLY 25 HA2 GLY 25 2.490 4.951 10.334 162 HA3 GLY 25 HA3 GLY 25 3.883 4.050 10.900 163 H THR 26 H THR 26 5.554 3.580 8.917 164 HA THR 26 HA THR 26 6.595 6.096 8.240 165 HB THR 26 HB THR 26 7.139 3.216 7.381 166 HG1 THR 26 HG1 THR 26 8.479 5.313 8.942 167 HG21 THR 26 HG21 THR 26 9.458 4.705 6.923 168 HG22 THR 26 HG22 THR 26 8.379 4.086 5.649 169 HG23 THR 26 HG23 THR 26 8.187 5.752 6.247 170 H VAL 27 H VAL 27 4.659 3.713 6.354 171 HA VAL 27 HA VAL 27 4.851 5.050 3.920 172 HB VAL 27 HB VAL 27 2.958 3.095 5.169 173 HG11 VAL 27 HG11 VAL 27 2.372 4.843 2.858 174 HG12 VAL 27 HG12 VAL 27 2.119 3.105 2.571 175 HG13 VAL 27 HG13 VAL 27 1.274 3.918 3.910 176 HG21 VAL 27 HG21 VAL 27 5.331 2.968 3.608 177 HG22 VAL 27 HG22 VAL 27 4.322 1.625 4.198 178 HG23 VAL 27 HG23 VAL 27 4.001 2.346 2.602 179 H LEU 28 H LEU 28 2.520 5.361 6.663 180 HA LEU 28 HA LEU 28 0.858 7.216 5.387 181 HB2 LEU 28 HB2 LEU 28 0.073 5.990 7.257 182 HB3 LEU 28 HB3 LEU 28 1.390 6.542 8.274 183 HG LEU 28 HG LEU 28 -0.310 8.700 7.181 184 HD11 LEU 28 HD11 LEU 28 -2.283 7.792 7.659 185 HD12 LEU 28 HD12 LEU 28 -1.530 6.385 8.448 186 HD13 LEU 28 HD13 LEU 28 -1.813 7.879 9.374 187 HD21 LEU 28 HD21 LEU 28 -0.223 9.105 9.832 188 HD22 LEU 28 HD22 LEU 28 1.207 8.059 9.653 189 HD23 LEU 28 HD23 LEU 28 1.091 9.576 8.727 190 H VAL 29 H VAL 29 3.336 7.805 7.987 191 HA VAL 29 HA VAL 29 3.359 10.483 7.989 192 HB VAL 29 HB VAL 29 5.558 8.450 8.229 193 HG11 VAL 29 HG11 VAL 29 7.036 10.085 7.725 194 HG12 VAL 29 HG12 VAL 29 5.845 11.385 7.972 195 HG13 VAL 29 HG13 VAL 29 6.673 10.658 9.371 196 HG21 VAL 29 HG21 VAL 29 3.997 10.186 10.158 197 HG22 VAL 29 HG22 VAL 29 4.046 8.409 10.057 198 HG23 VAL 29 HG23 VAL 29 5.473 9.308 10.626 199 H ALA 30 H ALA 30 4.789 8.331 5.496 200 HA ALA 30 HA ALA 30 6.163 10.336 4.106 201 HB1 ALA 30 HB1 ALA 30 5.191 7.549 3.586 202 HB2 ALA 30 HB2 ALA 30 5.681 8.533 2.186 203 HB3 ALA 30 HB3 ALA 30 6.838 8.217 3.501 204 H LEU 31 H LEU 31 2.891 8.845 3.566 205 HA LEU 31 HA LEU 31 2.235 10.555 1.446 206 HB2 LEU 31 HB2 LEU 31 0.843 8.612 3.197 207 HB3 LEU 31 HB3 LEU 31 -0.166 9.806 2.405 208 HG LEU 31 HG LEU 31 0.921 9.101 0.212 209 HD11 LEU 31 HD11 LEU 31 2.657 7.714 1.851 210 HD12 LEU 31 HD12 LEU 31 1.581 6.441 1.227 211 HD13 LEU 31 HD13 LEU 31 2.463 7.494 0.095 212 HD21 LEU 31 HD21 LEU 31 -0.810 7.179 1.784 213 HD22 LEU 31 HD22 LEU 31 -1.333 8.470 0.676 214 HD23 LEU 31 HD23 LEU 31 -0.492 7.037 0.038 215 H SER 32 H SER 32 0.713 10.550 4.743 216 HA SER 32 HA SER 32 -0.469 12.931 4.599 217 HB2 SER 32 HB2 SER 32 -0.644 11.371 6.518 218 HB3 SER 32 HB3 SER 32 0.985 11.777 7.021 219 HG SER 32 HG SER 32 -0.433 13.028 8.267 220 H ALA 33 H ALA 33 2.808 12.463 6.132 221 HA ALA 33 HA ALA 33 3.327 15.274 5.996 222 HB1 ALA 33 HB1 ALA 33 4.161 13.203 7.590 223 HB2 ALA 33 HB2 ALA 33 5.561 13.396 6.509 224 HB3 ALA 33 HB3 ALA 33 4.983 14.778 7.471 225 H MET 34 H MET 34 5.978 15.478 5.222 226 HA MET 34 HA MET 34 6.525 14.136 2.838 227 HB2 MET 34 HB2 MET 34 4.552 15.986 2.422 228 HB3 MET 34 HB3 MET 34 5.940 17.046 2.269 229 HG2 MET 34 HG2 MET 34 6.903 15.575 0.510 230 HG3 MET 34 HG3 MET 34 5.572 14.450 0.695 231 HE1 MET 34 HE1 MET 34 5.733 15.360 -2.315 232 HE2 MET 34 HE2 MET 34 5.641 17.123 -2.541 233 HE3 MET 34 HE3 MET 34 6.947 16.419 -1.558 234 H GLY 35 H GLY 35 6.852 17.238 4.669 235 HA2 GLY 35 HA2 GLY 35 9.736 16.873 4.726 236 HA3 GLY 35 HA3 GLY 35 9.166 18.283 3.857 237 H PHE 36 H PHE 36 7.157 19.404 5.203 238 HA PHE 36 HA PHE 36 7.427 19.300 8.015 239 HB2 PHE 36 HB2 PHE 36 8.577 21.437 8.317 240 HB3 PHE 36 HB3 PHE 36 9.547 20.533 7.172 241 HD1 PHE 36 HD2 PHE 36 8.773 20.929 4.617 242 HD2 PHE 36 HD1 PHE 36 8.176 23.646 7.822 243 HE1 PHE 36 HE2 PHE 36 8.604 22.823 2.979 244 HE2 PHE 36 HE1 PHE 36 8.007 25.540 6.184 245 HZ PHE 36 HZ PHE 36 8.223 25.107 3.782 246 H THR 37 H THR 37 5.182 18.974 6.512 247 HA THR 37 HA THR 37 3.658 21.331 7.242 248 HB THR 37 HB THR 37 4.193 20.411 4.405 249 HG1 THR 37 HG1 THR 37 3.539 22.941 5.739 250 HG21 THR 37 HG21 THR 37 1.558 21.283 5.554 251 HG22 THR 37 HG22 THR 37 2.100 22.144 4.093 252 HG23 THR 37 HG23 THR 37 1.892 20.376 4.059 253 H SER 38 H SER 38 2.453 20.285 8.752 254 HA SER 38 HA SER 38 0.301 18.846 7.942 255 HB2 SER 38 HB2 SER 38 2.532 17.177 7.771 256 HB3 SER 38 HB3 SER 38 1.868 16.765 9.339 257 HG SER 38 HG SER 38 -0.230 16.936 7.659 258 H VAL 39 H VAL 39 2.819 19.432 10.408 259 HA VAL 39 HA VAL 39 1.362 18.700 12.664 260 HB VAL 39 HB VAL 39 3.552 20.729 12.206 261 HG11 VAL 39 HG11 VAL 39 3.883 20.316 14.769 262 HG12 VAL 39 HG12 VAL 39 2.679 21.503 14.212 263 HG13 VAL 39 HG13 VAL 39 2.157 19.883 14.734 264 HG21 VAL 39 HG21 VAL 39 3.607 17.960 12.098 265 HG22 VAL 39 HG22 VAL 39 5.006 19.029 12.358 266 HG23 VAL 39 HG23 VAL 39 4.158 18.316 13.752 267 H GLY 40 H GLY 40 2.198 22.149 12.315 268 HA2 GLY 40 HA2 GLY 40 0.113 23.231 13.614 269 HA3 GLY 40 HA3 GLY 40 0.900 24.006 12.254 270 H ILE 41 H ILE 41 0.163 22.458 10.061 271 HA ILE 41 HA ILE 41 -2.311 23.428 9.420 272 HB ILE 41 HB ILE 41 -0.744 21.083 8.362 273 HG12 ILE 41 HG12 ILE 41 -0.894 23.135 6.472 274 HG13 ILE 41 HG13 ILE 41 -0.675 23.975 7.994 275 HG21 ILE 41 HG21 ILE 41 -3.063 20.649 7.836 276 HG22 ILE 41 HG22 ILE 41 -3.273 22.310 7.231 277 HG23 ILE 41 HG23 ILE 41 -2.204 21.177 6.369 278 HD11 ILE 41 HD11 ILE 41 1.031 21.545 7.487 279 HD12 ILE 41 HD12 ILE 41 1.418 23.045 6.611 280 HD13 ILE 41 HD13 ILE 41 1.415 23.029 8.391 281 H ALA 42 H ALA 42 -1.458 20.127 10.657 282 HA ALA 42 HA ALA 42 -4.055 19.136 10.642 283 HB1 ALA 42 HB1 ALA 42 -1.555 18.510 12.240 284 HB2 ALA 42 HB2 ALA 42 -3.063 17.588 12.449 285 HB3 ALA 42 HB3 ALA 42 -2.249 17.614 10.867 286 H ALA 43 H ALA 43 -2.305 21.254 12.918 287 HA ALA 43 HA ALA 43 -4.164 20.974 15.032 288 HB1 ALA 43 HB1 ALA 43 -2.825 23.514 15.083 289 HB2 ALA 43 HB2 ALA 43 -2.495 22.065 16.062 290 HB3 ALA 43 HB3 ALA 43 -1.679 22.286 14.496 291 H SER 44 H SER 44 -4.000 22.884 12.048 292 HA SER 44 HA SER 44 -5.908 24.780 12.885 293 HB2 SER 44 HB2 SER 44 -4.116 24.689 10.853 294 HB3 SER 44 HB3 SER 44 -5.537 24.166 9.970 295 HG SER 44 HG SER 44 -6.113 26.217 9.882 296 H SER 45 H SER 45 -6.053 22.075 10.443 297 HA SER 45 HA SER 45 -8.701 22.185 9.943 298 HB2 SER 45 HB2 SER 45 -6.548 20.345 9.503 299 HB3 SER 45 HB3 SER 45 -7.906 19.403 10.085 300 HG SER 45 HG SER 45 -9.073 19.873 8.303 301 H ILE 46 H ILE 46 -7.002 20.373 12.582 302 HA ILE 46 HA ILE 46 -9.261 19.132 13.627 303 HB ILE 46 HB ILE 46 -6.616 19.938 14.819 304 HG12 ILE 46 HG12 ILE 46 -6.755 18.196 12.978 305 HG13 ILE 46 HG13 ILE 46 -5.955 17.711 14.459 306 HG21 ILE 46 HG21 ILE 46 -7.098 18.636 16.769 307 HG22 ILE 46 HG22 ILE 46 -8.391 19.843 16.574 308 HG23 ILE 46 HG23 ILE 46 -8.681 18.147 16.119 309 HD11 ILE 46 HD11 ILE 46 -7.944 16.515 15.229 310 HD12 ILE 46 HD12 ILE 46 -8.891 17.136 13.855 311 HD13 ILE 46 HD13 ILE 46 -7.564 15.984 13.573 312 H ALA 47 H ALA 47 -7.656 22.256 14.543 313 HA ALA 47 HA ALA 47 -9.300 22.985 16.588 314 HB1 ALA 47 HB1 ALA 47 -8.804 25.380 15.582 315 HB2 ALA 47 HB2 ALA 47 -7.477 24.382 16.222 316 HB3 ALA 47 HB3 ALA 47 -7.759 24.468 14.467 317 H ALA 48 H ALA 48 -9.776 23.667 13.049 318 HA ALA 48 HA ALA 48 -12.125 25.031 13.197 319 HB1 ALA 48 HB1 ALA 48 -11.211 24.900 11.071 320 HB2 ALA 48 HB2 ALA 48 -10.868 23.159 11.208 321 HB3 ALA 48 HB3 ALA 48 -12.534 23.718 10.924 322 H LYS 49 H LYS 49 -11.948 21.464 12.500 323 HA LYS 49 HA LYS 49 -13.332 19.813 12.976 324 HB2 LYS 49 HB2 LYS 49 -12.850 21.096 15.380 325 HB3 LYS 49 HB3 LYS 49 -14.597 20.980 15.354 326 HG2 LYS 49 HG2 LYS 49 -14.444 18.537 14.881 327 HG3 LYS 49 HG3 LYS 49 -12.694 18.641 14.857 328 HD2 LYS 49 HD2 LYS 49 -12.526 18.799 17.156 329 HD3 LYS 49 HD3 LYS 49 -13.985 19.759 17.307 330 HE2 LYS 49 HE2 LYS 49 -15.009 17.332 16.426 331 HE3 LYS 49 HE3 LYS 49 -13.649 16.805 17.396 332 HZ1 LYS 49 HZ1 LYS 49 -16.076 18.149 18.259 333 HZ2 LYS 49 HZ2 LYS 49 -15.155 17.076 19.066 334 HZ3 LYS 49 HZ3 LYS 49 -14.683 18.639 18.963 335 H MET 50 H MET 50 -14.499 20.336 10.995 336 HA MET 50 HA MET 50 -17.239 20.630 11.519 337 HB2 MET 50 HB2 MET 50 -17.532 22.731 10.092 338 HB3 MET 50 HB3 MET 50 -16.740 23.028 11.627 339 HG2 MET 50 HG2 MET 50 -14.495 22.816 10.422 340 HG3 MET 50 HG3 MET 50 -15.376 22.732 8.909 341 HE1 MET 50 HE1 MET 50 -17.166 25.064 8.172 342 HE2 MET 50 HE2 MET 50 -15.778 26.137 7.872 343 HE3 MET 50 HE3 MET 50 -15.633 24.389 7.570 344 H MET 51 H MET 51 -14.568 20.895 9.103 345 HA MET 51 HA MET 51 -14.355 20.158 7.063 346 HB2 MET 51 HB2 MET 51 -14.824 18.007 8.629 347 HB3 MET 51 HB3 MET 51 -16.260 17.864 7.636 348 HG2 MET 51 HG2 MET 51 -15.072 17.136 5.821 349 HG3 MET 51 HG3 MET 51 -13.846 18.373 6.015 350 HE1 MET 51 HE1 MET 51 -11.544 17.984 6.985 351 HE2 MET 51 HE2 MET 51 -10.953 16.308 6.883 352 HE3 MET 51 HE3 MET 51 -11.811 17.034 5.504 353 H SER 52 H SER 52 -15.540 21.930 6.067 354 HA SER 52 HA SER 52 -18.314 21.689 5.653 355 HB2 SER 52 HB2 SER 52 -16.659 23.788 5.629 356 HB3 SER 52 HB3 SER 52 -16.566 23.430 3.916 357 HG SER 52 HG SER 52 -19.087 23.719 5.302 358 H THR 53 H THR 53 -19.282 21.724 3.341 359 HA THR 53 HA THR 53 -18.337 19.412 1.963 360 HB THR 53 HB THR 53 -20.758 20.097 2.267 361 HG1 THR 53 HG1 THR 53 -19.603 20.036 -0.432 362 HG21 THR 53 HG21 THR 53 -20.336 22.591 1.739 363 HG22 THR 53 HG22 THR 53 -20.140 22.097 0.040 364 HG23 THR 53 HG23 THR 53 -21.696 21.843 0.867 365 H ALA 54 H ALA 54 -16.997 19.202 0.269 366 HA ALA 54 HA ALA 54 -16.548 21.474 -1.455 367 HB1 ALA 54 HB1 ALA 54 -14.889 22.091 0.079 368 HB2 ALA 54 HB2 ALA 54 -14.497 20.403 0.487 369 HB3 ALA 54 HB3 ALA 54 -13.986 21.083 -1.077 370 H ALA 55 H ALA 55 -15.679 20.837 -3.499 371 HA ALA 55 HA ALA 55 -15.120 17.994 -3.817 372 HB1 ALA 55 HB1 ALA 55 -17.037 19.380 -5.699 373 HB2 ALA 55 HB2 ALA 55 -16.783 17.638 -5.436 374 HB3 ALA 55 HB3 ALA 55 -17.626 18.610 -4.206 375 H ILE 56 H ILE 56 -12.955 19.212 -3.852 376 HA ILE 56 HA ILE 56 -12.452 20.898 -6.083 377 HB ILE 56 HB ILE 56 -10.131 20.749 -5.367 378 HG12 ILE 56 HG12 ILE 56 -10.385 19.250 -2.944 379 HG13 ILE 56 HG13 ILE 56 -10.955 18.245 -4.262 380 HG21 ILE 56 HG21 ILE 56 -10.961 22.419 -4.117 381 HG22 ILE 56 HG22 ILE 56 -12.360 21.462 -3.572 382 HG23 ILE 56 HG23 ILE 56 -10.781 21.264 -2.774 383 HD11 ILE 56 HD11 ILE 56 -8.220 19.392 -3.789 384 HD12 ILE 56 HD12 ILE 56 -8.687 17.792 -4.414 385 HD13 ILE 56 HD13 ILE 56 -8.755 19.218 -5.477 386 H ALA 57 H ALA 57 -13.345 19.625 -7.849 387 HA ALA 57 HA ALA 57 -13.140 18.296 -9.604 388 HB1 ALA 57 HB1 ALA 57 -10.384 18.815 -8.739 389 HB2 ALA 57 HB2 ALA 57 -10.547 17.277 -9.620 390 HB3 ALA 57 HB3 ALA 57 -11.080 18.797 -10.377 391 H ASN 58 H ASN 58 -14.666 16.925 -8.305 392 HA ASN 58 HA ASN 58 -15.357 14.959 -7.703 393 HB2 ASN 58 HB2 ASN 58 -12.615 13.823 -8.453 394 HB3 ASN 58 HB3 ASN 58 -14.114 12.923 -8.326 395 HD21 ASN 58 HD21 ASN 58 -15.763 13.224 -9.850 396 HD22 ASN 58 HD22 ASN 58 -15.461 13.869 -11.428 397 H GLY 59 H GLY 59 -15.579 14.356 -5.537 398 HA2 GLY 59 HA2 GLY 59 -13.434 13.446 -3.941 399 HA3 GLY 59 HA3 GLY 59 -13.769 15.124 -3.561 400 H GLY 60 H GLY 60 -14.413 12.090 -2.510 401 HA2 GLY 60 HA2 GLY 60 -16.554 12.840 -0.856 402 HA3 GLY 60 HA3 GLY 60 -17.199 11.952 -2.223 403 H GLY 61 H GLY 61 -15.998 11.634 0.901 404 HA2 GLY 61 HA2 GLY 61 -16.119 9.464 1.898 405 HA3 GLY 61 HA3 GLY 61 -15.415 8.775 0.449 406 H VAL 62 H VAL 62 -13.509 7.881 1.226 407 HA VAL 62 HA VAL 62 -11.798 9.622 2.837 408 HB VAL 62 HB VAL 62 -11.789 6.645 2.310 409 HG11 VAL 62 HG11 VAL 62 -9.743 6.444 3.213 410 HG12 VAL 62 HG12 VAL 62 -9.565 8.184 2.883 411 HG13 VAL 62 HG13 VAL 62 -10.093 7.633 4.491 412 HG21 VAL 62 HG21 VAL 62 -11.982 7.297 5.074 413 HG22 VAL 62 HG22 VAL 62 -13.179 8.287 4.205 414 HG23 VAL 62 HG23 VAL 62 -13.196 6.515 4.033 415 H ALA 63 H ALA 63 -11.455 7.190 0.150 416 HA ALA 63 HA ALA 63 -9.123 8.669 -0.766 417 HB1 ALA 63 HB1 ALA 63 -10.087 5.917 -0.829 418 HB2 ALA 63 HB2 ALA 63 -9.609 6.472 -2.451 419 HB3 ALA 63 HB3 ALA 63 -8.447 6.549 -1.105 420 H ALA 64 H ALA 64 -9.581 10.430 -2.005 421 HA ALA 64 HA ALA 64 -10.907 10.063 -4.472 422 HB1 ALA 64 HB1 ALA 64 -12.397 12.061 -2.833 423 HB2 ALA 64 HB2 ALA 64 -12.975 10.982 -4.124 424 HB3 ALA 64 HB3 ALA 64 -12.721 10.347 -2.481 425 H GLY 65 H GLY 65 -9.979 11.486 -5.877 426 HA2 GLY 65 HA2 GLY 65 -9.380 13.729 -6.419 427 HA3 GLY 65 HA3 GLY 65 -8.890 13.990 -4.757 428 H SER 66 H SER 66 -6.728 14.583 -5.177 429 HA SER 66 HA SER 66 -5.072 13.394 -6.969 430 HB2 SER 66 HB2 SER 66 -4.326 14.552 -4.246 431 HB3 SER 66 HB3 SER 66 -3.211 14.305 -5.575 432 HG SER 66 HG SER 66 -3.771 16.358 -5.987 433 H LEU 67 H LEU 67 -6.015 12.361 -3.680 434 HA LEU 67 HA LEU 67 -4.033 10.547 -3.130 435 HB2 LEU 67 HB2 LEU 67 -6.802 11.041 -2.308 436 HB3 LEU 67 HB3 LEU 67 -6.312 9.367 -2.143 437 HG LEU 67 HG LEU 67 -4.170 10.742 -1.045 438 HD11 LEU 67 HD11 LEU 67 -5.470 12.181 0.695 439 HD12 LEU 67 HD12 LEU 67 -5.063 12.867 -0.897 440 HD13 LEU 67 HD13 LEU 67 -6.711 12.273 -0.578 441 HD21 LEU 67 HD21 LEU 67 -4.988 9.882 1.094 442 HD22 LEU 67 HD22 LEU 67 -6.587 9.583 0.371 443 HD23 LEU 67 HD23 LEU 67 -5.167 8.676 -0.202 444 H VAL 68 H VAL 68 -6.850 10.281 -5.327 445 HA VAL 68 HA VAL 68 -6.846 7.574 -5.757 446 HB VAL 68 HB VAL 68 -7.358 9.866 -7.661 447 HG11 VAL 68 HG11 VAL 68 -7.973 8.441 -9.285 448 HG12 VAL 68 HG12 VAL 68 -7.031 7.226 -8.389 449 HG13 VAL 68 HG13 VAL 68 -8.790 7.347 -8.143 450 HG21 VAL 68 HG21 VAL 68 -8.699 9.646 -5.474 451 HG22 VAL 68 HG22 VAL 68 -9.612 9.782 -6.995 452 HG23 VAL 68 HG23 VAL 68 -9.418 8.195 -6.212 453 H ALA 69 H ALA 69 -4.758 10.132 -7.213 454 HA ALA 69 HA ALA 69 -3.446 8.347 -8.971 455 HB1 ALA 69 HB1 ALA 69 -3.561 10.757 -9.376 456 HB2 ALA 69 HB2 ALA 69 -2.676 11.078 -7.866 457 HB3 ALA 69 HB3 ALA 69 -1.861 10.255 -9.217 458 H ILE 70 H ILE 70 -3.062 9.289 -5.566 459 HA ILE 70 HA ILE 70 -0.411 8.375 -5.289 460 HB ILE 70 HB ILE 70 -2.641 8.819 -3.305 461 HG12 ILE 70 HG12 ILE 70 -0.214 10.517 -3.952 462 HG13 ILE 70 HG13 ILE 70 -1.817 10.798 -4.600 463 HG21 ILE 70 HG21 ILE 70 0.232 8.008 -2.891 464 HG22 ILE 70 HG22 ILE 70 -0.674 8.915 -1.657 465 HG23 ILE 70 HG23 ILE 70 -1.247 7.315 -2.184 466 HD11 ILE 70 HD11 ILE 70 -2.242 10.508 -1.826 467 HD12 ILE 70 HD12 ILE 70 -0.749 11.468 -1.960 468 HD13 ILE 70 HD13 ILE 70 -2.243 12.032 -2.747 469 H LEU 71 H LEU 71 -3.555 6.876 -4.233 470 HA LEU 71 HA LEU 71 -2.442 4.431 -3.558 471 HB2 LEU 71 HB2 LEU 71 -4.974 5.643 -3.615 472 HB3 LEU 71 HB3 LEU 71 -5.135 4.183 -4.571 473 HG LEU 71 HG LEU 71 -4.102 2.921 -2.620 474 HD11 LEU 71 HD11 LEU 71 -3.047 4.737 -1.441 475 HD12 LEU 71 HD12 LEU 71 -4.611 5.557 -1.217 476 HD13 LEU 71 HD13 LEU 71 -4.292 4.010 -0.397 477 HD21 LEU 71 HD21 LEU 71 -6.198 2.329 -2.207 478 HD22 LEU 71 HD22 LEU 71 -6.514 3.866 -1.367 479 HD23 LEU 71 HD23 LEU 71 -6.748 3.750 -3.128 480 H GLN 72 H GLN 72 -3.384 5.815 -6.697 481 HA GLN 72 HA GLN 72 -3.533 3.469 -8.125 482 HB2 GLN 72 HB2 GLN 72 -3.240 6.345 -8.692 483 HB3 GLN 72 HB3 GLN 72 -2.458 5.350 -9.904 484 HG2 GLN 72 HG2 GLN 72 -4.817 3.974 -9.602 485 HG3 GLN 72 HG3 GLN 72 -5.361 5.598 -9.236 486 HE21 GLN 72 HE21 GLN 72 -6.141 6.627 -10.895 487 HE22 GLN 72 HE22 GLN 72 -5.619 6.527 -12.544 488 H SER 73 H SER 73 -0.717 5.783 -8.036 489 HA SER 73 HA SER 73 0.992 3.888 -9.187 490 HB2 SER 73 HB2 SER 73 1.078 6.584 -8.873 491 HB3 SER 73 HB3 SER 73 2.128 6.127 -7.546 492 HG SER 73 HG SER 73 3.486 4.984 -9.023 493 H VAL 74 H VAL 74 1.122 5.420 -5.880 494 HA VAL 74 HA VAL 74 2.952 3.869 -4.701 495 HB VAL 74 HB VAL 74 0.316 4.753 -3.507 496 HG11 VAL 74 HG11 VAL 74 2.352 4.933 -1.587 497 HG12 VAL 74 HG12 VAL 74 1.024 3.749 -1.641 498 HG13 VAL 74 HG13 VAL 74 2.597 3.356 -2.375 499 HG21 VAL 74 HG21 VAL 74 1.233 6.713 -4.369 500 HG22 VAL 74 HG22 VAL 74 1.870 6.686 -2.707 501 HG23 VAL 74 HG23 VAL 74 2.907 6.187 -4.065 502 H GLY 75 H GLY 75 -0.481 2.983 -5.345 503 HA2 GLY 75 HA2 GLY 75 -0.485 0.544 -3.958 504 HA3 GLY 75 HA3 GLY 75 -1.545 1.006 -5.275 505 H ALA 76 H ALA 76 -0.043 1.229 -7.510 506 HA ALA 76 HA ALA 76 0.495 -1.412 -8.201 507 HB1 ALA 76 HB1 ALA 76 0.316 1.142 -9.441 508 HB2 ALA 76 HB2 ALA 76 1.892 0.455 -9.904 509 HB3 ALA 76 HB3 ALA 76 0.396 -0.452 -10.229 510 H ALA 77 H ALA 77 2.911 1.305 -8.097 511 HA ALA 77 HA ALA 77 5.165 -0.172 -8.222 512 HB1 ALA 77 HB1 ALA 77 4.370 2.458 -7.105 513 HB2 ALA 77 HB2 ALA 77 5.895 1.800 -6.464 514 HB3 ALA 77 HB3 ALA 77 5.696 2.039 -8.216 515 H GLY 78 H GLY 78 3.578 0.874 -5.116 516 HA2 GLY 78 HA2 GLY 78 5.101 -0.367 -3.284 517 HA3 GLY 78 HA3 GLY 78 3.356 -0.260 -3.167 518 H LEU 79 H LEU 79 2.083 -1.997 -4.473 519 HA LEU 79 HA LEU 79 2.669 -4.475 -3.508 520 HB2 LEU 79 HB2 LEU 79 0.684 -3.294 -5.028 521 HB3 LEU 79 HB3 LEU 79 1.312 -4.536 -6.093 522 HG LEU 79 HG LEU 79 1.000 -6.174 -4.159 523 HD11 LEU 79 HD11 LEU 79 0.700 -4.104 -2.551 524 HD12 LEU 79 HD12 LEU 79 -1.007 -4.264 -3.031 525 HD13 LEU 79 HD13 LEU 79 -0.166 -5.633 -2.264 526 HD21 LEU 79 HD21 LEU 79 -0.567 -6.650 -5.696 527 HD22 LEU 79 HD22 LEU 79 -1.678 -5.888 -4.533 528 HD23 LEU 79 HD23 LEU 79 -1.039 -4.947 -5.903 529 H SER 80 H SER 80 3.950 -2.832 -6.387 530 HA SER 80 HA SER 80 4.918 -5.084 -7.670 531 HB2 SER 80 HB2 SER 80 4.939 -2.299 -8.076 532 HB3 SER 80 HB3 SER 80 6.637 -2.717 -7.966 533 HG SER 80 HG SER 80 4.677 -3.578 -9.867 534 H VAL 81 H VAL 81 7.029 -2.591 -6.078 535 HA VAL 81 HA VAL 81 9.227 -4.179 -5.787 536 HB VAL 81 HB VAL 81 9.022 -1.714 -5.466 537 HG11 VAL 81 HG11 VAL 81 8.471 -0.858 -3.219 538 HG12 VAL 81 HG12 VAL 81 7.081 -1.670 -3.979 539 HG13 VAL 81 HG13 VAL 81 8.013 -2.501 -2.710 540 HG21 VAL 81 HG21 VAL 81 11.020 -1.679 -4.411 541 HG22 VAL 81 HG22 VAL 81 10.412 -2.581 -3.002 542 HG23 VAL 81 HG23 VAL 81 10.879 -3.452 -4.483 543 H THR 82 H THR 82 6.199 -4.209 -3.977 544 HA THR 82 HA THR 82 7.136 -5.483 -1.653 545 HB THR 82 HB THR 82 4.438 -5.324 -3.083 546 HG1 THR 82 HG1 THR 82 4.201 -3.774 -1.290 547 HG21 THR 82 HG21 THR 82 3.484 -6.651 -1.482 548 HG22 THR 82 HG22 THR 82 5.127 -7.178 -1.044 549 HG23 THR 82 HG23 THR 82 4.374 -5.809 -0.190 550 H SER 83 H SER 83 4.952 -7.156 -3.967 551 HA SER 83 HA SER 83 5.599 -9.639 -3.273 552 HB2 SER 83 HB2 SER 83 5.114 -8.717 -6.141 553 HB3 SER 83 HB3 SER 83 4.876 -10.345 -5.539 554 HG SER 83 HG SER 83 3.380 -9.148 -3.894 555 H LYS 84 H LYS 84 7.290 -7.639 -5.787 556 HA LYS 84 HA LYS 84 9.102 -9.509 -6.644 557 HB2 LYS 84 HB2 LYS 84 8.718 -6.661 -6.823 558 HB3 LYS 84 HB3 LYS 84 10.419 -6.995 -6.566 559 HG2 LYS 84 HG2 LYS 84 10.163 -8.812 -8.420 560 HG3 LYS 84 HG3 LYS 84 8.629 -8.051 -8.790 561 HD2 LYS 84 HD2 LYS 84 9.703 -5.931 -9.307 562 HD3 LYS 84 HD3 LYS 84 11.238 -6.478 -8.662 563 HE2 LYS 84 HE2 LYS 84 10.089 -8.192 -10.826 564 HE3 LYS 84 HE3 LYS 84 10.565 -6.581 -11.327 565 HZ1 LYS 84 HZ1 LYS 84 12.675 -7.352 -9.823 566 HZ2 LYS 84 HZ2 LYS 84 12.245 -8.775 -10.489 567 HZ3 LYS 84 HZ3 LYS 84 12.556 -7.487 -11.449 568 H VAL 85 H VAL 85 9.435 -7.167 -3.892 569 HA VAL 85 HA VAL 85 11.959 -7.981 -3.106 570 HB VAL 85 HB VAL 85 9.617 -6.667 -1.787 571 HG11 VAL 85 HG11 VAL 85 10.446 -7.964 0.039 572 HG12 VAL 85 HG12 VAL 85 12.137 -7.600 -0.383 573 HG13 VAL 85 HG13 VAL 85 11.079 -6.313 0.245 574 HG21 VAL 85 HG21 VAL 85 12.440 -5.629 -1.982 575 HG22 VAL 85 HG22 VAL 85 11.350 -5.572 -3.388 576 HG23 VAL 85 HG23 VAL 85 10.909 -4.727 -1.885 577 H ILE 86 H ILE 86 8.763 -9.461 -2.656 578 HA ILE 86 HA ILE 86 9.699 -11.256 -0.624 579 HB ILE 86 HB ILE 86 7.145 -10.972 -2.191 580 HG12 ILE 86 HG12 ILE 86 7.535 -10.757 0.792 581 HG13 ILE 86 HG13 ILE 86 7.855 -9.395 -0.262 582 HG21 ILE 86 HG21 ILE 86 6.650 -12.738 -0.090 583 HG22 ILE 86 HG22 ILE 86 6.691 -13.117 -1.829 584 HG23 ILE 86 HG23 ILE 86 8.153 -13.333 -0.837 585 HD11 ILE 86 HD11 ILE 86 5.249 -10.703 0.419 586 HD12 ILE 86 HD12 ILE 86 5.616 -8.987 0.118 587 HD13 ILE 86 HD13 ILE 86 5.430 -10.110 -1.250 588 H GLY 87 H GLY 87 8.246 -11.926 -3.886 589 HA2 GLY 87 HA2 GLY 87 10.120 -13.098 -5.291 590 HA3 GLY 87 HA3 GLY 87 9.925 -14.320 -4.050 591 H GLY 88 H GLY 88 7.571 -12.156 -5.790 592 HA2 GLY 88 HA2 GLY 88 5.560 -12.644 -6.699 593 HA3 GLY 88 HA3 GLY 88 6.469 -13.866 -7.566 594 H PHE 89 H PHE 89 5.380 -13.480 -4.111 595 HA PHE 89 HA PHE 89 4.620 -15.039 -2.703 596 HB2 PHE 89 HB2 PHE 89 2.748 -14.145 -4.492 597 HB3 PHE 89 HB3 PHE 89 2.691 -15.847 -4.905 598 HD1 PHE 89 HD1 PHE 89 2.402 -17.481 -2.856 599 HD2 PHE 89 HD2 PHE 89 1.380 -13.363 -2.800 600 HE1 PHE 89 HE1 PHE 89 0.842 -17.894 -0.934 601 HE2 PHE 89 HE2 PHE 89 -0.181 -13.776 -0.878 602 HZ PHE 89 HZ PHE 89 -0.431 -16.037 0.032 603 H ALA 90 H ALA 90 6.410 -16.545 -2.689 604 HA ALA 90 HA ALA 90 5.830 -18.979 -4.236 605 HB1 ALA 90 HB1 ALA 90 8.191 -19.345 -4.444 606 HB2 ALA 90 HB2 ALA 90 7.897 -17.653 -4.910 607 HB3 ALA 90 HB3 ALA 90 8.563 -18.031 -3.303 608 H GLY 91 H GLY 91 7.617 -17.773 -1.301 609 HA2 GLY 91 HA2 GLY 91 6.151 -19.184 0.576 610 HA3 GLY 91 HA3 GLY 91 7.426 -20.265 0.051 611 H THR 92 H THR 92 9.728 -19.403 0.099 612 HA THR 92 HA THR 92 10.401 -18.493 2.600 613 HB THR 92 HB THR 92 11.933 -19.634 1.007 614 HG1 THR 92 HG1 THR 92 12.771 -18.166 2.686 615 HG21 THR 92 HG21 THR 92 12.561 -17.086 -0.418 616 HG22 THR 92 HG22 THR 92 12.564 -18.756 -1.036 617 HG23 THR 92 HG23 THR 92 11.034 -17.855 -0.912 618 H ALA 93 H ALA 93 9.842 -16.685 3.630 619 HA ALA 93 HA ALA 93 10.631 -14.182 2.668 620 HB1 ALA 93 HB1 ALA 93 8.572 -14.786 1.183 621 HB2 ALA 93 HB2 ALA 93 7.619 -14.456 2.650 622 HB3 ALA 93 HB3 ALA 93 8.635 -13.177 1.942 623 H LEU 94 H LEU 94 9.042 -12.454 4.084 624 HA LEU 94 HA LEU 94 9.027 -11.679 6.182 625 HB2 LEU 94 HB2 LEU 94 7.107 -13.896 5.921 626 HB3 LEU 94 HB3 LEU 94 7.466 -13.431 7.572 627 HG LEU 94 HG LEU 94 7.013 -11.035 6.086 628 HD11 LEU 94 HD11 LEU 94 4.883 -13.147 5.656 629 HD12 LEU 94 HD12 LEU 94 4.669 -11.403 5.371 630 HD13 LEU 94 HD13 LEU 94 5.850 -12.323 4.409 631 HD21 LEU 94 HD21 LEU 94 5.023 -12.225 7.994 632 HD22 LEU 94 HD22 LEU 94 6.630 -11.720 8.570 633 HD23 LEU 94 HD23 LEU 94 5.548 -10.535 7.801 634 H GLY 95 H GLY 95 11.487 -12.648 5.907 635 HA2 GLY 95 HA2 GLY 95 12.682 -12.975 8.176 636 HA3 GLY 95 HA3 GLY 95 11.956 -14.567 8.085 637 H ALA 96 H ALA 96 14.635 -12.624 7.173 638 HA ALA 96 HA ALA 96 16.481 -13.046 6.029 639 HB1 ALA 96 HB1 ALA 96 15.414 -15.706 6.686 640 HB2 ALA 96 HB2 ALA 96 16.445 -15.709 5.235 641 HB3 ALA 96 HB3 ALA 96 17.082 -15.092 6.778 642 H TRP 97 H TRP 97 15.924 -11.665 4.293 643 HA TRP 97 HA TRP 97 14.335 -12.714 2.136 644 HB2 TRP 97 HB2 TRP 97 15.847 -10.111 2.423 645 HB3 TRP 97 HB3 TRP 97 14.763 -10.519 1.108 646 HD1 TRP 97 HD1 TRP 97 12.112 -11.299 2.234 647 HE1 TRP 97 HE1 TRP 97 10.631 -9.937 3.941 648 HE3 TRP 97 HE3 TRP 97 15.920 -8.502 4.112 649 HZ2 TRP 97 HZ2 TRP 97 11.206 -7.888 5.843 650 HZ3 TRP 97 HZ3 TRP 97 15.375 -6.844 5.892 651 HH2 TRP 97 HH2 TRP 97 13.113 -6.514 6.757 652 H LEU 98 H LEU 98 15.120 -13.626 0.248 653 HA LEU 98 HA LEU 98 17.633 -14.713 0.167 654 HB2 LEU 98 HB2 LEU 98 17.161 -14.878 -2.332 655 HB3 LEU 98 HB3 LEU 98 16.065 -15.670 -1.218 656 HG LEU 98 HG LEU 98 15.142 -12.983 -1.777 657 HD11 LEU 98 HD11 LEU 98 14.625 -13.228 -4.150 658 HD12 LEU 98 HD12 LEU 98 16.383 -13.226 -3.874 659 HD13 LEU 98 HD13 LEU 98 15.536 -14.756 -4.203 660 HD21 LEU 98 HD21 LEU 98 13.147 -14.368 -2.634 661 HD22 LEU 98 HD22 LEU 98 14.061 -15.781 -2.054 662 HD23 LEU 98 HD23 LEU 98 13.591 -14.496 -0.915 663 H GLY 99 H GLY 99 16.480 -11.519 -1.001 664 HA2 GLY 99 HA2 GLY 99 17.599 -9.693 -1.678 665 HA3 GLY 99 HA3 GLY 99 18.937 -10.260 -0.699 666 H SER 100 H SER 100 17.358 -10.662 -3.927 667 HA SER 100 HA SER 100 19.906 -10.596 -5.157 668 HB2 SER 100 HB2 SER 100 18.446 -13.206 -4.840 669 HB3 SER 100 HB3 SER 100 19.217 -12.900 -6.384 670 HG SER 100 HG SER 100 20.778 -12.340 -4.082 671 HA PRO 101 HA PRO 101 16.594 -8.987 -7.702 672 HB2 PRO 101 HB2 PRO 101 17.969 -6.842 -8.691 673 HB3 PRO 101 HB3 PRO 101 17.005 -6.771 -7.229 674 HG2 PRO 101 HG2 PRO 101 19.947 -6.867 -7.507 675 HG3 PRO 101 HG3 PRO 101 18.990 -6.375 -6.123 676 HD2 PRO 101 HD2 PRO 101 20.369 -8.868 -6.458 677 HD3 PRO 101 HD3 PRO 101 19.318 -8.422 -5.128 678 HA PRO 102 HA PRO 102 17.798 -10.816 -11.343 679 HB2 PRO 102 HB2 PRO 102 15.702 -10.144 -12.963 680 HB3 PRO 102 HB3 PRO 102 15.650 -11.484 -11.835 681 HG2 PRO 102 HG2 PRO 102 14.370 -8.828 -11.619 682 HG3 PRO 102 HG3 PRO 102 13.999 -10.300 -10.743 683 HD2 PRO 102 HD2 PRO 102 15.447 -8.031 -9.751 684 HD3 PRO 102 HD3 PRO 102 15.176 -9.548 -8.917 685 H SER 103 H SER 103 19.728 -9.528 -11.501 686 HA SER 103 HA SER 103 19.810 -8.273 -13.959 687 HB2 SER 103 HB2 SER 103 18.730 -6.564 -12.005 688 HB3 SER 103 HB3 SER 103 20.411 -6.076 -12.097 689 HG SER 103 HG SER 103 18.619 -6.328 -14.363 690 H SER 104 H SER 104 21.894 -8.732 -14.562 691 HA SER 104 HA SER 104 23.960 -8.284 -12.584 692 HB2 SER 104 HB2 SER 104 23.347 -10.896 -13.978 693 HB3 SER 104 HB3 SER 104 25.012 -10.510 -13.588 694 HG SER 104 HG SER 104 24.619 -10.703 -11.451 Start of MODEL 3 1 H MET 1 H1 MET 1 -2.334 -16.910 -7.473 2 HA MET 1 HA MET 1 -3.448 -14.400 -6.489 3 HB2 MET 1 HB2 MET 1 -2.012 -14.543 -8.787 4 HB3 MET 1 HB3 MET 1 -3.537 -15.114 -9.434 5 HG2 MET 1 HG2 MET 1 -4.669 -13.074 -8.914 6 HG3 MET 1 HG3 MET 1 -3.448 -12.582 -7.757 7 HE1 MET 1 HE1 MET 1 -1.226 -11.398 -8.341 8 HE2 MET 1 HE2 MET 1 -1.400 -10.251 -9.691 9 HE3 MET 1 HE3 MET 1 -2.684 -10.383 -8.465 10 H GLY 2 H GLY 2 -5.487 -14.785 -5.745 11 HA2 GLY 2 HA2 GLY 2 -7.190 -16.602 -7.331 12 HA3 GLY 2 HA3 GLY 2 -7.072 -16.760 -5.590 13 H LYS 3 H LYS 3 -9.460 -16.105 -7.235 14 HA LYS 3 HA LYS 3 -11.224 -14.782 -7.135 15 HB2 LYS 3 HB2 LYS 3 -9.804 -13.850 -4.640 16 HB3 LYS 3 HB3 LYS 3 -11.322 -13.136 -5.144 17 HG2 LYS 3 HG2 LYS 3 -12.208 -14.852 -3.887 18 HG3 LYS 3 HG3 LYS 3 -12.021 -15.744 -5.384 19 HD2 LYS 3 HD2 LYS 3 -10.887 -17.205 -4.000 20 HD3 LYS 3 HD3 LYS 3 -9.540 -16.157 -4.399 21 HE2 LYS 3 HE2 LYS 3 -9.998 -14.802 -2.332 22 HE3 LYS 3 HE3 LYS 3 -11.318 -15.881 -1.927 23 HZ1 LYS 3 HZ1 LYS 3 -8.453 -16.382 -1.770 24 HZ2 LYS 3 HZ2 LYS 3 -9.645 -16.932 -0.806 25 HZ3 LYS 3 HZ3 LYS 3 -9.400 -17.619 -2.271 26 H GLU 4 H GLU 4 -11.656 -13.308 -8.680 27 HA GLU 4 HA GLU 4 -9.593 -11.338 -9.185 28 HB2 GLU 4 HB2 GLU 4 -11.260 -12.948 -10.851 29 HB3 GLU 4 HB3 GLU 4 -11.769 -11.291 -11.109 30 HG2 GLU 4 HG2 GLU 4 -10.021 -11.351 -12.626 31 HG3 GLU 4 HG3 GLU 4 -9.117 -10.853 -11.209 32 H SER 5 H SER 5 -13.232 -11.518 -9.101 33 HA SER 5 HA SER 5 -13.336 -8.695 -8.692 34 HB2 SER 5 HB2 SER 5 -15.270 -10.899 -9.242 35 HB3 SER 5 HB3 SER 5 -15.910 -9.567 -8.301 36 HG SER 5 HG SER 5 -16.242 -8.993 -10.439 37 H GLY 6 H GLY 6 -13.731 -7.623 -6.738 38 HA2 GLY 6 HA2 GLY 6 -14.592 -7.525 -4.553 39 HA3 GLY 6 HA3 GLY 6 -14.410 -9.260 -4.392 40 H TRP 7 H TRP 7 -12.004 -10.077 -4.667 41 HA TRP 7 HA TRP 7 -10.023 -10.174 -3.666 42 HB2 TRP 7 HB2 TRP 7 -10.052 -7.935 -5.401 43 HB3 TRP 7 HB3 TRP 7 -9.136 -7.464 -3.983 44 HD1 TRP 7 HD1 TRP 7 -7.835 -10.472 -3.489 45 HE1 TRP 7 HE1 TRP 7 -5.853 -11.327 -5.008 46 HE3 TRP 7 HE3 TRP 7 -8.726 -7.289 -7.353 47 HZ2 TRP 7 HZ2 TRP 7 -4.903 -10.593 -7.597 48 HZ3 TRP 7 HZ3 TRP 7 -7.225 -7.423 -9.338 49 HH2 TRP 7 HH2 TRP 7 -5.367 -9.003 -9.498 50 H ASP 8 H ASP 8 -10.962 -10.507 -1.530 51 HA ASP 8 HA ASP 8 -10.011 -8.690 0.333 52 HB2 ASP 8 HB2 ASP 8 -12.281 -7.646 -0.629 53 HB3 ASP 8 HB3 ASP 8 -13.032 -8.812 0.442 54 H SER 9 H SER 9 -9.307 -10.367 1.682 55 HA SER 9 HA SER 9 -10.556 -12.830 1.802 56 HB2 SER 9 HB2 SER 9 -8.421 -11.405 3.353 57 HB3 SER 9 HB3 SER 9 -9.138 -12.808 4.119 58 HG SER 9 HG SER 9 -7.945 -12.749 1.478 59 H GLY 10 H GLY 10 -11.095 -13.728 4.256 60 HA2 GLY 10 HA2 GLY 10 -13.490 -12.302 5.002 61 HA3 GLY 10 HA3 GLY 10 -12.911 -13.834 5.626 62 H ARG 11 H ARG 11 -12.199 -13.847 7.713 63 HA ARG 11 HA ARG 11 -11.998 -11.394 9.072 64 HB2 ARG 11 HB2 ARG 11 -11.919 -14.293 9.733 65 HB3 ARG 11 HB3 ARG 11 -10.921 -13.314 10.790 66 HG2 ARG 11 HG2 ARG 11 -13.102 -11.741 10.826 67 HG3 ARG 11 HG3 ARG 11 -13.911 -13.232 10.387 68 HD2 ARG 11 HD2 ARG 11 -11.941 -13.291 12.681 69 HD3 ARG 11 HD3 ARG 11 -13.518 -12.579 12.956 70 HE ARG 11 HE ARG 11 -13.903 -15.078 11.627 71 HH11 ARG 11 HH22 ARG 11 -12.805 -13.849 14.764 72 HH12 ARG 11 HH21 ARG 11 -13.295 -15.267 15.630 73 HH21 ARG 11 HH12 ARG 11 -14.534 -16.913 12.764 74 HH22 ARG 11 HH11 ARG 11 -14.286 -17.021 14.477 75 H ALA 12 H ALA 12 -9.661 -14.007 8.127 76 HA ALA 12 HA ALA 12 -7.384 -13.136 9.281 77 HB1 ALA 12 HB1 ALA 12 -6.230 -14.167 7.319 78 HB2 ALA 12 HB2 ALA 12 -7.552 -15.176 7.952 79 HB3 ALA 12 HB3 ALA 12 -7.792 -14.225 6.467 80 H ALA 13 H ALA 13 -8.963 -11.838 6.309 81 HA ALA 13 HA ALA 13 -7.092 -10.195 5.319 82 HB1 ALA 13 HB1 ALA 13 -8.847 -9.347 4.169 83 HB2 ALA 13 HB2 ALA 13 -9.830 -10.524 5.073 84 HB3 ALA 13 HB3 ALA 13 -9.692 -8.847 5.653 85 H VAL 14 H VAL 14 -9.292 -9.381 8.096 86 HA VAL 14 HA VAL 14 -8.493 -6.891 8.671 87 HB VAL 14 HB VAL 14 -8.951 -9.167 10.610 88 HG11 VAL 14 HG11 VAL 14 -8.474 -6.271 11.007 89 HG12 VAL 14 HG12 VAL 14 -9.875 -6.942 11.877 90 HG13 VAL 14 HG13 VAL 14 -8.255 -7.638 12.125 91 HG21 VAL 14 HG21 VAL 14 -11.040 -9.146 9.821 92 HG22 VAL 14 HG22 VAL 14 -11.208 -7.504 10.485 93 HG23 VAL 14 HG23 VAL 14 -10.702 -7.732 8.794 94 H ALA 15 H ALA 15 -6.800 -9.905 9.790 95 HA ALA 15 HA ALA 15 -4.723 -8.613 11.089 96 HB1 ALA 15 HB1 ALA 15 -5.161 -11.315 9.838 97 HB2 ALA 15 HB2 ALA 15 -3.531 -10.877 10.401 98 HB3 ALA 15 HB3 ALA 15 -4.895 -10.884 11.544 99 H ALA 16 H ALA 16 -5.052 -9.695 7.650 100 HA ALA 16 HA ALA 16 -2.500 -9.035 6.824 101 HB1 ALA 16 HB1 ALA 16 -4.785 -10.079 5.701 102 HB2 ALA 16 HB2 ALA 16 -4.677 -8.495 4.896 103 HB3 ALA 16 HB3 ALA 16 -3.317 -9.639 4.795 104 H VAL 17 H VAL 17 -5.249 -7.007 7.695 105 HA VAL 17 HA VAL 17 -4.192 -4.696 6.342 106 HB VAL 17 HB VAL 17 -6.414 -4.905 8.380 107 HG11 VAL 17 HG11 VAL 17 -5.228 -2.660 7.344 108 HG12 VAL 17 HG12 VAL 17 -6.574 -2.917 6.209 109 HG13 VAL 17 HG13 VAL 17 -6.899 -2.748 7.950 110 HG21 VAL 17 HG21 VAL 17 -6.272 -5.905 5.647 111 HG22 VAL 17 HG22 VAL 17 -7.530 -6.138 6.884 112 HG23 VAL 17 HG23 VAL 17 -7.562 -4.694 5.843 113 H VAL 18 H VAL 18 -4.165 -6.191 9.583 114 HA VAL 18 HA VAL 18 -2.983 -3.852 10.776 115 HB VAL 18 HB VAL 18 -3.303 -4.910 12.769 116 HG11 VAL 18 HG11 VAL 18 -5.267 -6.750 11.538 117 HG12 VAL 18 HG12 VAL 18 -5.494 -5.467 12.751 118 HG13 VAL 18 HG13 VAL 18 -5.389 -5.051 11.023 119 HG21 VAL 18 HG21 VAL 18 -2.086 -6.794 12.994 120 HG22 VAL 18 HG22 VAL 18 -3.601 -7.627 12.571 121 HG23 VAL 18 HG23 VAL 18 -2.382 -7.306 11.315 122 H GLY 19 H GLY 19 -1.961 -6.634 8.960 123 HA2 GLY 19 HA2 GLY 19 0.609 -7.003 10.089 124 HA3 GLY 19 HA3 GLY 19 0.059 -7.519 8.507 125 H GLY 20 H GLY 20 1.862 -5.131 10.319 126 HA2 GLY 20 HA2 GLY 20 3.626 -3.997 9.171 127 HA3 GLY 20 HA3 GLY 20 2.577 -3.802 7.780 128 H VAL 21 H VAL 21 1.745 -3.314 11.265 129 HA VAL 21 HA VAL 21 0.316 -1.006 10.861 130 HB VAL 21 HB VAL 21 1.864 -1.984 13.266 131 HG11 VAL 21 HG11 VAL 21 1.430 0.002 14.203 132 HG12 VAL 21 HG12 VAL 21 0.395 0.501 12.844 133 HG13 VAL 21 HG13 VAL 21 -0.288 -0.463 14.175 134 HG21 VAL 21 HG21 VAL 21 -0.785 -2.365 13.808 135 HG22 VAL 21 HG22 VAL 21 -0.747 -2.650 12.051 136 HG23 VAL 21 HG23 VAL 21 0.298 -3.604 13.131 137 H VAL 22 H VAL 22 3.677 -1.188 12.248 138 HA VAL 22 HA VAL 22 4.205 1.491 12.177 139 HB VAL 22 HB VAL 22 5.996 -0.911 11.803 140 HG11 VAL 22 HG11 VAL 22 7.912 0.448 12.169 141 HG12 VAL 22 HG12 VAL 22 6.974 1.248 10.885 142 HG13 VAL 22 HG13 VAL 22 6.921 1.875 12.551 143 HG21 VAL 22 HG21 VAL 22 6.309 -0.899 14.101 144 HG22 VAL 22 HG22 VAL 22 5.837 0.809 14.266 145 HG23 VAL 22 HG23 VAL 22 4.597 -0.432 13.965 146 H ALA 23 H ALA 23 4.615 -0.965 9.558 147 HA ALA 23 HA ALA 23 5.863 0.646 7.707 148 HB1 ALA 23 HB1 ALA 23 4.780 -1.932 7.843 149 HB2 ALA 23 HB2 ALA 23 3.868 -1.143 6.533 150 HB3 ALA 23 HB3 ALA 23 5.645 -1.219 6.460 151 H VAL 24 H VAL 24 2.380 0.339 8.566 152 HA VAL 24 HA VAL 24 1.510 2.028 6.461 153 HB VAL 24 HB VAL 24 0.222 1.141 9.050 154 HG11 VAL 24 HG11 VAL 24 -0.629 3.293 7.728 155 HG12 VAL 24 HG12 VAL 24 -1.392 2.053 6.703 156 HG13 VAL 24 HG13 VAL 24 -1.759 2.119 8.444 157 HG21 VAL 24 HG21 VAL 24 0.930 -0.514 7.112 158 HG22 VAL 24 HG22 VAL 24 -0.641 -0.678 7.933 159 HG23 VAL 24 HG23 VAL 24 -0.547 0.112 6.340 160 H GLY 25 H GLY 25 2.806 2.496 9.722 161 HA2 GLY 25 HA2 GLY 25 1.830 5.132 10.125 162 HA3 GLY 25 HA3 GLY 25 3.152 4.345 10.964 163 H THR 26 H THR 26 5.082 3.833 9.118 164 HA THR 26 HA THR 26 6.207 6.357 8.659 165 HB THR 26 HB THR 26 7.516 4.284 9.017 166 HG1 THR 26 HG1 THR 26 8.967 4.842 7.317 167 HG21 THR 26 HG21 THR 26 7.679 2.578 7.256 168 HG22 THR 26 HG22 THR 26 5.969 2.718 7.732 169 HG23 THR 26 HG23 THR 26 6.540 3.480 6.228 170 H VAL 27 H VAL 27 4.623 4.027 6.389 171 HA VAL 27 HA VAL 27 5.034 5.507 4.093 172 HB VAL 27 HB VAL 27 2.936 3.543 4.983 173 HG11 VAL 27 HG11 VAL 27 2.176 3.430 2.611 174 HG12 VAL 27 HG12 VAL 27 1.781 4.971 3.408 175 HG13 VAL 27 HG13 VAL 27 3.143 4.883 2.266 176 HG21 VAL 27 HG21 VAL 27 4.426 2.720 2.694 177 HG22 VAL 27 HG22 VAL 27 5.574 3.371 3.889 178 HG23 VAL 27 HG23 VAL 27 4.466 2.055 4.345 179 H LEU 28 H LEU 28 2.155 5.502 6.315 180 HA LEU 28 HA LEU 28 0.717 7.445 5.025 181 HB2 LEU 28 HB2 LEU 28 -0.193 6.092 6.783 182 HB3 LEU 28 HB3 LEU 28 0.927 6.756 7.955 183 HG LEU 28 HG LEU 28 -0.230 9.045 7.308 184 HD11 LEU 28 HD11 LEU 28 -2.731 7.515 7.047 185 HD12 LEU 28 HD12 LEU 28 -2.203 9.013 6.244 186 HD13 LEU 28 HD13 LEU 28 -1.657 7.434 5.630 187 HD21 LEU 28 HD21 LEU 28 -2.157 7.839 9.005 188 HD22 LEU 28 HD22 LEU 28 -0.584 7.087 9.363 189 HD23 LEU 28 HD23 LEU 28 -0.765 8.855 9.450 190 H VAL 29 H VAL 29 3.038 7.922 7.785 191 HA VAL 29 HA VAL 29 2.935 10.642 7.895 192 HB VAL 29 HB VAL 29 5.196 8.694 8.332 193 HG11 VAL 29 HG11 VAL 29 6.380 10.463 9.550 194 HG12 VAL 29 HG12 VAL 29 6.160 10.903 7.839 195 HG13 VAL 29 HG13 VAL 29 5.123 11.636 9.087 196 HG21 VAL 29 HG21 VAL 29 3.139 8.562 9.773 197 HG22 VAL 29 HG22 VAL 29 4.648 8.885 10.659 198 HG23 VAL 29 HG23 VAL 29 3.502 10.210 10.340 199 H ALA 30 H ALA 30 4.536 8.543 5.498 200 HA ALA 30 HA ALA 30 6.150 10.541 4.354 201 HB1 ALA 30 HB1 ALA 30 5.175 8.427 2.550 202 HB2 ALA 30 HB2 ALA 30 6.834 8.812 3.066 203 HB3 ALA 30 HB3 ALA 30 5.792 7.804 4.099 204 H LEU 31 H LEU 31 2.860 9.252 3.532 205 HA LEU 31 HA LEU 31 2.499 10.998 1.357 206 HB2 LEU 31 HB2 LEU 31 0.822 9.152 2.975 207 HB3 LEU 31 HB3 LEU 31 -0.010 10.377 2.038 208 HG LEU 31 HG LEU 31 1.469 9.498 0.058 209 HD11 LEU 31 HD11 LEU 31 1.309 6.827 1.305 210 HD12 LEU 31 HD12 LEU 31 2.545 7.533 0.236 211 HD13 LEU 31 HD13 LEU 31 2.554 7.908 1.976 212 HD21 LEU 31 HD21 LEU 31 -0.861 9.335 -0.121 213 HD22 LEU 31 HD22 LEU 31 -0.279 7.667 -0.337 214 HD23 LEU 31 HD23 LEU 31 -0.978 8.171 1.221 215 H SER 32 H SER 32 0.871 11.050 4.611 216 HA SER 32 HA SER 32 -0.314 13.413 4.447 217 HB2 SER 32 HB2 SER 32 1.248 12.479 6.896 218 HB3 SER 32 HB3 SER 32 -0.114 13.581 6.902 219 HG SER 32 HG SER 32 -1.412 11.892 6.968 220 H ALA 33 H ALA 33 3.042 12.999 5.816 221 HA ALA 33 HA ALA 33 3.741 15.554 6.208 222 HB1 ALA 33 HB1 ALA 33 5.382 13.304 4.981 223 HB2 ALA 33 HB2 ALA 33 6.074 14.808 5.635 224 HB3 ALA 33 HB3 ALA 33 5.205 13.687 6.710 225 H MET 34 H MET 34 4.281 13.820 3.051 226 HA MET 34 HA MET 34 4.221 14.531 0.993 227 HB2 MET 34 HB2 MET 34 2.392 16.305 2.353 228 HB3 MET 34 HB3 MET 34 3.323 17.297 1.248 229 HG2 MET 34 HG2 MET 34 2.549 16.152 -0.662 230 HG3 MET 34 HG3 MET 34 2.213 14.678 0.224 231 HE1 MET 34 HE1 MET 34 0.087 14.158 -0.545 232 HE2 MET 34 HE2 MET 34 -0.260 14.119 1.200 233 HE3 MET 34 HE3 MET 34 -1.422 14.867 0.078 234 H GLY 35 H GLY 35 4.990 17.440 3.048 235 HA2 GLY 35 HA2 GLY 35 7.542 17.657 1.573 236 HA3 GLY 35 HA3 GLY 35 6.524 19.051 1.871 237 H PHE 36 H PHE 36 5.857 19.385 4.287 238 HA PHE 36 HA PHE 36 7.405 18.241 6.309 239 HB2 PHE 36 HB2 PHE 36 8.926 20.191 6.717 240 HB3 PHE 36 HB3 PHE 36 9.214 19.535 5.117 241 HD1 PHE 36 HD2 PHE 36 8.207 20.714 3.124 242 HD2 PHE 36 HD1 PHE 36 8.237 22.431 7.005 243 HE1 PHE 36 HE2 PHE 36 7.810 22.981 2.124 244 HE2 PHE 36 HE1 PHE 36 7.840 24.698 6.005 245 HZ PHE 36 HZ PHE 36 7.631 24.947 3.576 246 H THR 37 H THR 37 4.664 18.806 5.923 247 HA THR 37 HA THR 37 4.219 20.531 8.209 248 HB THR 37 HB THR 37 4.212 22.014 6.124 249 HG1 THR 37 HG1 THR 37 2.370 23.019 7.032 250 HG21 THR 37 HG21 THR 37 2.860 20.009 4.856 251 HG22 THR 37 HG22 THR 37 1.479 20.927 5.503 252 HG23 THR 37 HG23 THR 37 2.649 21.723 4.423 253 H SER 38 H SER 38 2.136 20.227 9.195 254 HA SER 38 HA SER 38 0.112 18.747 8.274 255 HB2 SER 38 HB2 SER 38 2.403 17.027 8.726 256 HB3 SER 38 HB3 SER 38 1.143 16.602 9.867 257 HG SER 38 HG SER 38 0.625 16.936 7.043 258 H VAL 39 H VAL 39 2.345 19.493 10.936 259 HA VAL 39 HA VAL 39 0.684 18.848 13.079 260 HB VAL 39 HB VAL 39 2.869 20.906 12.738 261 HG11 VAL 39 HG11 VAL 39 2.919 21.283 15.045 262 HG12 VAL 39 HG12 VAL 39 1.179 21.283 14.667 263 HG13 VAL 39 HG13 VAL 39 1.931 19.847 15.402 264 HG21 VAL 39 HG21 VAL 39 3.226 18.304 12.512 265 HG22 VAL 39 HG22 VAL 39 4.374 19.301 13.436 266 HG23 VAL 39 HG23 VAL 39 3.135 18.350 14.289 267 H GLY 40 H GLY 40 1.505 22.287 12.605 268 HA2 GLY 40 HA2 GLY 40 -0.705 23.407 13.636 269 HA3 GLY 40 HA3 GLY 40 0.194 24.111 12.307 270 H ILE 41 H ILE 41 -0.320 22.374 10.172 271 HA ILE 41 HA ILE 41 -2.721 23.272 9.224 272 HB ILE 41 HB ILE 41 -1.032 20.885 8.518 273 HG12 ILE 41 HG12 ILE 41 -0.195 23.262 8.198 274 HG13 ILE 41 HG13 ILE 41 -0.166 22.220 6.789 275 HG21 ILE 41 HG21 ILE 41 -3.148 20.190 7.769 276 HG22 ILE 41 HG22 ILE 41 -3.599 21.828 7.241 277 HG23 ILE 41 HG23 ILE 41 -2.365 20.912 6.343 278 HD11 ILE 41 HD11 ILE 41 -1.065 24.433 6.187 279 HD12 ILE 41 HD12 ILE 41 -2.337 23.199 6.023 280 HD13 ILE 41 HD13 ILE 41 -2.324 24.281 7.436 281 H ALA 42 H ALA 42 -1.998 20.072 10.773 282 HA ALA 42 HA ALA 42 -4.602 19.099 10.610 283 HB1 ALA 42 HB1 ALA 42 -3.741 17.698 12.635 284 HB2 ALA 42 HB2 ALA 42 -2.905 17.540 11.072 285 HB3 ALA 42 HB3 ALA 42 -2.199 18.544 12.361 286 H ALA 43 H ALA 43 -3.012 21.367 12.849 287 HA ALA 43 HA ALA 43 -5.007 21.225 14.852 288 HB1 ALA 43 HB1 ALA 43 -3.496 23.750 14.559 289 HB2 ALA 43 HB2 ALA 43 -3.605 22.636 15.943 290 HB3 ALA 43 HB3 ALA 43 -2.478 22.290 14.609 291 H SER 44 H SER 44 -4.654 22.910 11.754 292 HA SER 44 HA SER 44 -6.656 24.822 12.348 293 HB2 SER 44 HB2 SER 44 -4.726 24.363 10.288 294 HB3 SER 44 HB3 SER 44 -6.290 24.404 9.498 295 HG SER 44 HG SER 44 -5.687 26.416 11.445 296 H SER 45 H SER 45 -6.463 21.912 10.166 297 HA SER 45 HA SER 45 -9.037 21.947 9.305 298 HB2 SER 45 HB2 SER 45 -7.370 20.440 8.363 299 HB3 SER 45 HB3 SER 45 -7.193 19.592 9.886 300 HG SER 45 HG SER 45 -9.143 18.579 9.619 301 H ILE 46 H ILE 46 -7.647 20.543 12.326 302 HA ILE 46 HA ILE 46 -10.036 19.311 13.165 303 HB ILE 46 HB ILE 46 -7.484 20.124 14.530 304 HG12 ILE 46 HG12 ILE 46 -8.547 17.331 14.194 305 HG13 ILE 46 HG13 ILE 46 -7.780 18.139 12.841 306 HG21 ILE 46 HG21 ILE 46 -8.664 18.403 16.293 307 HG22 ILE 46 HG22 ILE 46 -8.619 20.174 16.462 308 HG23 ILE 46 HG23 ILE 46 -10.051 19.382 15.761 309 HD11 ILE 46 HD11 ILE 46 -6.513 16.843 15.051 310 HD12 ILE 46 HD12 ILE 46 -5.735 17.712 13.707 311 HD13 ILE 46 HD13 ILE 46 -6.162 18.581 15.200 312 H ALA 47 H ALA 47 -8.456 22.459 14.043 313 HA ALA 47 HA ALA 47 -10.258 23.368 15.855 314 HB1 ALA 47 HB1 ALA 47 -8.155 24.494 15.192 315 HB2 ALA 47 HB2 ALA 47 -8.894 24.951 13.638 316 HB3 ALA 47 HB3 ALA 47 -9.535 25.617 15.159 317 H ALA 48 H ALA 48 -10.521 23.380 12.258 318 HA ALA 48 HA ALA 48 -12.939 24.835 12.210 319 HB1 ALA 48 HB1 ALA 48 -12.236 24.886 10.075 320 HB2 ALA 48 HB2 ALA 48 -11.094 23.553 10.367 321 HB3 ALA 48 HB3 ALA 48 -12.779 23.199 9.914 322 H LYS 49 H LYS 49 -12.193 21.293 11.847 323 HA LYS 49 HA LYS 49 -13.378 19.503 12.374 324 HB2 LYS 49 HB2 LYS 49 -14.474 21.523 14.180 325 HB3 LYS 49 HB3 LYS 49 -15.654 20.294 13.772 326 HG2 LYS 49 HG2 LYS 49 -13.495 18.685 14.201 327 HG3 LYS 49 HG3 LYS 49 -13.055 20.019 15.248 328 HD2 LYS 49 HD2 LYS 49 -14.672 19.505 16.777 329 HD3 LYS 49 HD3 LYS 49 -15.895 19.285 15.542 330 HE2 LYS 49 HE2 LYS 49 -15.661 17.021 15.586 331 HE3 LYS 49 HE3 LYS 49 -13.920 17.127 15.411 332 HZ1 LYS 49 HZ1 LYS 49 -13.809 16.529 17.561 333 HZ2 LYS 49 HZ2 LYS 49 -14.454 17.960 17.995 334 HZ3 LYS 49 HZ3 LYS 49 -15.431 16.676 17.722 335 H MET 50 H MET 50 -16.014 21.976 12.005 336 HA MET 50 HA MET 50 -17.080 20.269 9.915 337 HB2 MET 50 HB2 MET 50 -19.182 21.551 10.303 338 HB3 MET 50 HB3 MET 50 -18.566 20.942 11.827 339 HG2 MET 50 HG2 MET 50 -17.566 23.651 11.032 340 HG3 MET 50 HG3 MET 50 -19.275 23.561 11.408 341 HE1 MET 50 HE1 MET 50 -17.209 24.933 14.559 342 HE2 MET 50 HE2 MET 50 -16.210 24.672 13.109 343 HE3 MET 50 HE3 MET 50 -17.831 25.390 12.955 344 H MET 51 H MET 51 -17.985 21.306 7.921 345 HA MET 51 HA MET 51 -17.538 22.404 6.081 346 HB2 MET 51 HB2 MET 51 -18.163 24.370 8.226 347 HB3 MET 51 HB3 MET 51 -17.335 25.101 6.865 348 HG2 MET 51 HG2 MET 51 -19.288 23.367 5.720 349 HG3 MET 51 HG3 MET 51 -20.101 24.175 7.046 350 HE1 MET 51 HE1 MET 51 -21.630 24.976 5.302 351 HE2 MET 51 HE2 MET 51 -21.367 26.405 4.274 352 HE3 MET 51 HE3 MET 51 -20.812 24.804 3.731 353 H SER 52 H SER 52 -15.381 21.512 5.735 354 HA SER 52 HA SER 52 -13.458 23.575 5.526 355 HB2 SER 52 HB2 SER 52 -13.359 22.487 7.976 356 HB3 SER 52 HB3 SER 52 -12.458 21.236 7.143 357 HG SER 52 HG SER 52 -11.291 23.340 6.214 358 H THR 53 H THR 53 -13.458 23.047 3.295 359 HA THR 53 HA THR 53 -11.841 20.805 2.577 360 HB THR 53 HB THR 53 -14.344 19.985 2.967 361 HG1 THR 53 HG1 THR 53 -12.932 19.619 0.422 362 HG21 THR 53 HG21 THR 53 -14.432 21.075 0.106 363 HG22 THR 53 HG22 THR 53 -15.692 20.110 0.913 364 HG23 THR 53 HG23 THR 53 -15.354 21.769 1.461 365 H ALA 54 H ALA 54 -11.310 20.798 0.258 366 HA ALA 54 HA ALA 54 -11.973 23.347 -1.027 367 HB1 ALA 54 HB1 ALA 54 -9.421 22.545 0.077 368 HB2 ALA 54 HB2 ALA 54 -9.291 22.699 -1.691 369 HB3 ALA 54 HB3 ALA 54 -9.869 24.073 -0.719 370 H ALA 55 H ALA 55 -11.379 23.264 -3.433 371 HA ALA 55 HA ALA 55 -11.857 22.321 -5.388 372 HB1 ALA 55 HB1 ALA 55 -10.359 19.866 -4.464 373 HB2 ALA 55 HB2 ALA 55 -10.319 20.680 -6.046 374 HB3 ALA 55 HB3 ALA 55 -9.513 21.422 -4.643 375 H ILE 56 H ILE 56 -14.169 22.228 -4.552 376 HA ILE 56 HA ILE 56 -15.056 19.567 -3.842 377 HB ILE 56 HB ILE 56 -16.460 22.224 -4.107 378 HG12 ILE 56 HG12 ILE 56 -16.740 21.392 -1.520 379 HG13 ILE 56 HG13 ILE 56 -15.156 20.746 -1.902 380 HG21 ILE 56 HG21 ILE 56 -18.264 20.769 -2.798 381 HG22 ILE 56 HG22 ILE 56 -18.243 20.891 -4.573 382 HG23 ILE 56 HG23 ILE 56 -17.540 19.466 -3.771 383 HD11 ILE 56 HD11 ILE 56 -15.380 23.222 -1.006 384 HD12 ILE 56 HD12 ILE 56 -14.229 22.866 -2.316 385 HD13 ILE 56 HD13 ILE 56 -15.810 23.592 -2.693 386 H ALA 57 H ALA 57 -14.342 18.531 -5.857 387 HA ALA 57 HA ALA 57 -16.398 18.853 -7.903 388 HB1 ALA 57 HB1 ALA 57 -14.596 18.679 -9.654 389 HB2 ALA 57 HB2 ALA 57 -14.561 20.199 -8.729 390 HB3 ALA 57 HB3 ALA 57 -13.391 18.908 -8.365 391 H ASN 58 H ASN 58 -17.348 16.907 -7.143 392 HA ASN 58 HA ASN 58 -17.675 14.764 -7.118 393 HB2 ASN 58 HB2 ASN 58 -15.095 14.495 -8.751 394 HB3 ASN 58 HB3 ASN 58 -16.314 13.249 -8.572 395 HD21 ASN 58 HD21 ASN 58 -18.325 13.464 -9.547 396 HD22 ASN 58 HD22 ASN 58 -18.630 14.566 -10.848 397 H GLY 59 H GLY 59 -17.259 14.578 -4.815 398 HA2 GLY 59 HA2 GLY 59 -14.849 13.085 -4.157 399 HA3 GLY 59 HA3 GLY 59 -15.022 14.644 -3.377 400 H GLY 60 H GLY 60 -15.021 12.037 -2.051 401 HA2 GLY 60 HA2 GLY 60 -17.092 12.365 -0.241 402 HA3 GLY 60 HA3 GLY 60 -17.668 11.218 -1.434 403 H GLY 61 H GLY 61 -15.112 11.882 0.991 404 HA2 GLY 61 HA2 GLY 61 -14.744 9.870 2.429 405 HA3 GLY 61 HA3 GLY 61 -14.408 9.009 0.940 406 H VAL 62 H VAL 62 -12.228 8.515 1.528 407 HA VAL 62 HA VAL 62 -10.476 10.870 1.675 408 HB VAL 62 HB VAL 62 -8.876 9.221 2.733 409 HG11 VAL 62 HG11 VAL 62 -11.009 10.735 3.828 410 HG12 VAL 62 HG12 VAL 62 -10.933 9.211 4.744 411 HG13 VAL 62 HG13 VAL 62 -9.490 10.245 4.615 412 HG21 VAL 62 HG21 VAL 62 -11.400 7.556 3.022 413 HG22 VAL 62 HG22 VAL 62 -9.999 7.155 2.000 414 HG23 VAL 62 HG23 VAL 62 -9.822 7.215 3.771 415 H ALA 63 H ALA 63 -11.079 7.643 0.218 416 HA ALA 63 HA ALA 63 -8.819 7.276 -1.230 417 HB1 ALA 63 HB1 ALA 63 -11.736 6.779 -1.922 418 HB2 ALA 63 HB2 ALA 63 -10.385 6.166 -2.905 419 HB3 ALA 63 HB3 ALA 63 -10.568 5.637 -1.216 420 H ALA 64 H ALA 64 -11.766 9.066 -2.402 421 HA ALA 64 HA ALA 64 -10.735 9.957 -4.766 422 HB1 ALA 64 HB1 ALA 64 -12.485 11.683 -2.998 423 HB2 ALA 64 HB2 ALA 64 -12.534 11.483 -4.766 424 HB3 ALA 64 HB3 ALA 64 -13.096 10.168 -3.705 425 H GLY 65 H GLY 65 -9.797 12.022 -5.437 426 HA2 GLY 65 HA2 GLY 65 -8.825 14.119 -4.770 427 HA3 GLY 65 HA3 GLY 65 -8.293 13.370 -3.278 428 H SER 66 H SER 66 -6.418 14.701 -4.829 429 HA SER 66 HA SER 66 -5.186 13.315 -6.805 430 HB2 SER 66 HB2 SER 66 -4.241 15.254 -4.700 431 HB3 SER 66 HB3 SER 66 -3.032 14.460 -5.689 432 HG SER 66 HG SER 66 -5.297 15.952 -6.712 433 H LEU 67 H LEU 67 -5.123 12.793 -3.276 434 HA LEU 67 HA LEU 67 -2.878 11.250 -3.010 435 HB2 LEU 67 HB2 LEU 67 -5.240 11.858 -1.525 436 HB3 LEU 67 HB3 LEU 67 -4.944 10.134 -1.407 437 HG LEU 67 HG LEU 67 -2.433 11.170 -0.955 438 HD11 LEU 67 HD11 LEU 67 -2.589 13.335 -0.463 439 HD12 LEU 67 HD12 LEU 67 -4.367 13.279 -0.415 440 HD13 LEU 67 HD13 LEU 67 -3.424 12.840 1.029 441 HD21 LEU 67 HD21 LEU 67 -3.029 10.736 1.504 442 HD22 LEU 67 HD22 LEU 67 -4.642 10.289 0.897 443 HD23 LEU 67 HD23 LEU 67 -3.205 9.391 0.351 444 H VAL 68 H VAL 68 -6.154 10.325 -4.190 445 HA VAL 68 HA VAL 68 -5.880 7.619 -4.281 446 HB VAL 68 HB VAL 68 -7.768 9.316 -4.984 447 HG11 VAL 68 HG11 VAL 68 -6.551 10.156 -6.971 448 HG12 VAL 68 HG12 VAL 68 -6.620 8.525 -7.682 449 HG13 VAL 68 HG13 VAL 68 -8.123 9.433 -7.390 450 HG21 VAL 68 HG21 VAL 68 -7.480 6.572 -5.000 451 HG22 VAL 68 HG22 VAL 68 -8.998 7.459 -5.277 452 HG23 VAL 68 HG23 VAL 68 -8.019 6.918 -6.661 453 H ALA 69 H ALA 69 -4.594 10.084 -6.577 454 HA ALA 69 HA ALA 69 -3.706 8.414 -8.559 455 HB1 ALA 69 HB1 ALA 69 -2.137 10.802 -7.545 456 HB2 ALA 69 HB2 ALA 69 -2.339 10.234 -9.220 457 HB3 ALA 69 HB3 ALA 69 -3.706 10.988 -8.365 458 H ILE 70 H ILE 70 -2.092 9.333 -5.453 459 HA ILE 70 HA ILE 70 0.196 7.736 -6.027 460 HB ILE 70 HB ILE 70 -0.274 9.834 -4.423 461 HG12 ILE 70 HG12 ILE 70 1.891 8.394 -3.237 462 HG13 ILE 70 HG13 ILE 70 1.868 8.014 -4.948 463 HG21 ILE 70 HG21 ILE 70 -0.663 9.373 -2.234 464 HG22 ILE 70 HG22 ILE 70 -1.564 8.017 -2.953 465 HG23 ILE 70 HG23 ILE 70 0.080 7.758 -2.320 466 HD11 ILE 70 HD11 ILE 70 2.035 10.760 -3.651 467 HD12 ILE 70 HD12 ILE 70 3.196 9.994 -4.761 468 HD13 ILE 70 HD13 ILE 70 1.619 10.552 -5.369 469 H LEU 71 H LEU 71 -2.988 7.241 -4.576 470 HA LEU 71 HA LEU 71 -2.386 4.962 -3.077 471 HB2 LEU 71 HB2 LEU 71 -4.498 6.532 -3.256 472 HB3 LEU 71 HB3 LEU 71 -5.034 5.327 -4.411 473 HG LEU 71 HG LEU 71 -4.188 4.671 -1.578 474 HD11 LEU 71 HD11 LEU 71 -6.992 5.079 -2.654 475 HD12 LEU 71 HD12 LEU 71 -6.557 4.532 -1.017 476 HD13 LEU 71 HD13 LEU 71 -6.125 6.174 -1.551 477 HD21 LEU 71 HD21 LEU 71 -4.036 2.832 -3.240 478 HD22 LEU 71 HD22 LEU 71 -5.227 2.531 -1.952 479 HD23 LEU 71 HD23 LEU 71 -5.773 3.030 -3.571 480 H GLN 72 H GLN 72 -3.508 5.377 -6.496 481 HA GLN 72 HA GLN 72 -3.521 2.615 -6.975 482 HB2 GLN 72 HB2 GLN 72 -4.601 4.713 -8.259 483 HB3 GLN 72 HB3 GLN 72 -3.139 4.590 -9.216 484 HG2 GLN 72 HG2 GLN 72 -4.418 1.964 -8.729 485 HG3 GLN 72 HG3 GLN 72 -5.462 3.081 -9.586 486 HE21 GLN 72 HE21 GLN 72 -3.211 0.745 -9.946 487 HE22 GLN 72 HE22 GLN 72 -2.564 1.121 -11.508 488 H SER 73 H SER 73 -1.191 5.275 -7.797 489 HA SER 73 HA SER 73 0.605 3.732 -9.160 490 HB2 SER 73 HB2 SER 73 0.433 6.374 -8.387 491 HB3 SER 73 HB3 SER 73 1.779 5.831 -7.405 492 HG SER 73 HG SER 73 2.350 6.659 -9.586 493 H VAL 74 H VAL 74 1.078 4.906 -5.742 494 HA VAL 74 HA VAL 74 3.111 3.120 -5.152 495 HB VAL 74 HB VAL 74 1.091 4.476 -3.355 496 HG11 VAL 74 HG11 VAL 74 2.363 3.941 -1.500 497 HG12 VAL 74 HG12 VAL 74 2.525 2.456 -2.468 498 HG13 VAL 74 HG13 VAL 74 3.838 3.658 -2.455 499 HG21 VAL 74 HG21 VAL 74 2.618 6.276 -3.165 500 HG22 VAL 74 HG22 VAL 74 3.923 5.360 -3.957 501 HG23 VAL 74 HG23 VAL 74 2.521 5.913 -4.905 502 H GLY 75 H GLY 75 -0.408 2.728 -5.252 503 HA2 GLY 75 HA2 GLY 75 -0.724 0.507 -3.608 504 HA3 GLY 75 HA3 GLY 75 -1.720 0.924 -4.989 505 H ALA 76 H ALA 76 -0.674 0.410 -7.240 506 HA ALA 76 HA ALA 76 -0.084 -2.354 -7.247 507 HB1 ALA 76 HB1 ALA 76 -1.063 -1.923 -9.235 508 HB2 ALA 76 HB2 ALA 76 -0.659 -0.192 -9.149 509 HB3 ALA 76 HB3 ALA 76 0.536 -1.355 -9.770 510 H ALA 77 H ALA 77 1.863 0.537 -8.302 511 HA ALA 77 HA ALA 77 4.204 -0.686 -8.845 512 HB1 ALA 77 HB1 ALA 77 3.503 1.804 -8.928 513 HB2 ALA 77 HB2 ALA 77 4.081 1.886 -7.247 514 HB3 ALA 77 HB3 ALA 77 5.205 1.439 -8.553 515 H GLY 78 H GLY 78 3.213 0.556 -5.572 516 HA2 GLY 78 HA2 GLY 78 5.403 -0.316 -4.142 517 HA3 GLY 78 HA3 GLY 78 3.781 -0.125 -3.507 518 H LEU 79 H LEU 79 2.185 -1.998 -4.082 519 HA LEU 79 HA LEU 79 2.932 -4.284 -2.904 520 HB2 LEU 79 HB2 LEU 79 0.651 -3.684 -3.516 521 HB3 LEU 79 HB3 LEU 79 1.004 -3.970 -5.208 522 HG LEU 79 HG LEU 79 1.673 -6.390 -4.231 523 HD11 LEU 79 HD11 LEU 79 0.395 -5.119 -2.023 524 HD12 LEU 79 HD12 LEU 79 -0.681 -6.402 -2.627 525 HD13 LEU 79 HD13 LEU 79 0.992 -6.790 -2.161 526 HD21 LEU 79 HD21 LEU 79 -0.612 -5.214 -5.567 527 HD22 LEU 79 HD22 LEU 79 0.168 -6.795 -5.813 528 HD23 LEU 79 HD23 LEU 79 -1.094 -6.609 -4.572 529 H SER 80 H SER 80 3.648 -3.274 -6.245 530 HA SER 80 HA SER 80 4.440 -5.774 -7.157 531 HB2 SER 80 HB2 SER 80 4.392 -3.059 -8.113 532 HB3 SER 80 HB3 SER 80 5.993 -3.701 -8.425 533 HG SER 80 HG SER 80 4.542 -5.688 -9.198 534 H VAL 81 H VAL 81 6.706 -2.980 -6.678 535 HA VAL 81 HA VAL 81 9.002 -4.382 -6.492 536 HB VAL 81 HB VAL 81 8.594 -1.885 -6.519 537 HG11 VAL 81 HG11 VAL 81 8.761 -0.841 -4.177 538 HG12 VAL 81 HG12 VAL 81 7.180 -1.489 -4.676 539 HG13 VAL 81 HG13 VAL 81 8.214 -2.422 -3.568 540 HG21 VAL 81 HG21 VAL 81 10.785 -3.420 -5.592 541 HG22 VAL 81 HG22 VAL 81 10.809 -1.782 -6.287 542 HG23 VAL 81 HG23 VAL 81 10.672 -1.999 -4.525 543 H THR 82 H THR 82 6.388 -4.194 -4.125 544 HA THR 82 HA THR 82 7.880 -5.044 -1.882 545 HB THR 82 HB THR 82 4.903 -5.283 -2.576 546 HG1 THR 82 HG1 THR 82 6.495 -3.357 -1.039 547 HG21 THR 82 HG21 THR 82 5.014 -6.473 -0.558 548 HG22 THR 82 HG22 THR 82 6.524 -5.675 -0.057 549 HG23 THR 82 HG23 THR 82 4.973 -4.812 0.080 550 H SER 83 H SER 83 5.262 -7.048 -3.311 551 HA SER 83 HA SER 83 6.180 -9.390 -2.400 552 HB2 SER 83 HB2 SER 83 4.278 -8.500 -4.371 553 HB3 SER 83 HB3 SER 83 5.136 -9.872 -5.044 554 HG SER 83 HG SER 83 4.357 -11.207 -3.483 555 H LYS 84 H LYS 84 7.137 -7.693 -5.437 556 HA LYS 84 HA LYS 84 8.607 -9.663 -6.634 557 HB2 LYS 84 HB2 LYS 84 8.078 -7.529 -7.682 558 HB3 LYS 84 HB3 LYS 84 9.106 -6.674 -6.551 559 HG2 LYS 84 HG2 LYS 84 11.056 -8.123 -7.382 560 HG3 LYS 84 HG3 LYS 84 9.987 -8.719 -8.637 561 HD2 LYS 84 HD2 LYS 84 9.896 -5.789 -8.491 562 HD3 LYS 84 HD3 LYS 84 11.541 -6.352 -8.711 563 HE2 LYS 84 HE2 LYS 84 10.524 -7.906 -10.579 564 HE3 LYS 84 HE3 LYS 84 9.133 -6.844 -10.497 565 HZ1 LYS 84 HZ1 LYS 84 11.491 -6.359 -11.865 566 HZ2 LYS 84 HZ2 LYS 84 10.262 -5.310 -11.664 567 HZ3 LYS 84 HZ3 LYS 84 11.489 -5.343 -10.582 568 H VAL 85 H VAL 85 9.817 -7.171 -4.279 569 HA VAL 85 HA VAL 85 12.377 -8.274 -4.100 570 HB VAL 85 HB VAL 85 11.585 -5.975 -3.452 571 HG11 VAL 85 HG11 VAL 85 11.067 -6.172 -0.762 572 HG12 VAL 85 HG12 VAL 85 9.840 -5.933 -2.029 573 HG13 VAL 85 HG13 VAL 85 10.176 -7.569 -1.413 574 HG21 VAL 85 HG21 VAL 85 13.181 -5.777 -1.548 575 HG22 VAL 85 HG22 VAL 85 13.260 -7.554 -1.472 576 HG23 VAL 85 HG23 VAL 85 13.834 -6.699 -2.924 577 H ILE 86 H ILE 86 9.273 -9.198 -2.719 578 HA ILE 86 HA ILE 86 10.414 -10.724 -0.588 579 HB ILE 86 HB ILE 86 7.642 -10.582 -1.773 580 HG12 ILE 86 HG12 ILE 86 8.492 -8.524 -0.664 581 HG13 ILE 86 HG13 ILE 86 7.085 -9.221 0.114 582 HG21 ILE 86 HG21 ILE 86 7.098 -11.666 0.544 583 HG22 ILE 86 HG22 ILE 86 7.587 -12.684 -0.832 584 HG23 ILE 86 HG23 ILE 86 8.768 -12.271 0.435 585 HD11 ILE 86 HD11 ILE 86 9.941 -9.138 1.069 586 HD12 ILE 86 HD12 ILE 86 8.436 -8.845 1.973 587 HD13 ILE 86 HD13 ILE 86 8.923 -10.510 1.571 588 H GLY 87 H GLY 87 8.300 -11.873 -3.299 589 HA2 GLY 87 HA2 GLY 87 9.863 -13.448 -4.752 590 HA3 GLY 87 HA3 GLY 87 9.750 -14.401 -3.285 591 H GLY 88 H GLY 88 7.555 -12.473 -5.461 592 HA2 GLY 88 HA2 GLY 88 5.367 -12.823 -5.971 593 HA3 GLY 88 HA3 GLY 88 5.999 -14.366 -6.510 594 H PHE 89 H PHE 89 5.315 -16.240 -5.513 595 HA PHE 89 HA PHE 89 4.365 -16.136 -2.802 596 HB2 PHE 89 HB2 PHE 89 2.540 -15.516 -4.740 597 HB3 PHE 89 HB3 PHE 89 2.486 -17.259 -4.910 598 HD1 PHE 89 HD1 PHE 89 2.400 -18.460 -2.432 599 HD2 PHE 89 HD2 PHE 89 0.871 -14.631 -3.438 600 HE1 PHE 89 HE1 PHE 89 0.790 -18.598 -0.511 601 HE2 PHE 89 HE2 PHE 89 -0.739 -14.770 -1.517 602 HZ PHE 89 HZ PHE 89 -0.760 -16.751 -0.077 603 H ALA 90 H ALA 90 6.068 -17.654 -2.422 604 HA ALA 90 HA ALA 90 5.533 -20.287 -3.618 605 HB1 ALA 90 HB1 ALA 90 7.724 -20.530 -4.153 606 HB2 ALA 90 HB2 ALA 90 7.779 -18.754 -4.045 607 HB3 ALA 90 HB3 ALA 90 8.277 -19.747 -2.654 608 H GLY 91 H GLY 91 6.776 -22.021 -2.099 609 HA2 GLY 91 HA2 GLY 91 5.359 -22.258 0.228 610 HA3 GLY 91 HA3 GLY 91 6.904 -23.022 -0.086 611 H THR 92 H THR 92 8.913 -21.909 0.538 612 HA THR 92 HA THR 92 8.974 -20.931 3.049 613 HB THR 92 HB THR 92 11.223 -20.084 2.420 614 HG1 THR 92 HG1 THR 92 10.105 -20.539 -0.258 615 HG21 THR 92 HG21 THR 92 10.428 -22.707 2.034 616 HG22 THR 92 HG22 THR 92 11.009 -22.278 0.407 617 HG23 THR 92 HG23 THR 92 12.098 -22.134 1.807 618 H ALA 93 H ALA 93 8.678 -19.058 4.164 619 HA ALA 93 HA ALA 93 8.621 -16.532 2.978 620 HB1 ALA 93 HB1 ALA 93 6.528 -17.524 1.948 621 HB2 ALA 93 HB2 ALA 93 5.851 -17.627 3.591 622 HB3 ALA 93 HB3 ALA 93 6.265 -16.041 2.897 623 H LEU 94 H LEU 94 8.419 -14.891 4.588 624 HA LEU 94 HA LEU 94 8.810 -14.135 6.638 625 HB2 LEU 94 HB2 LEU 94 6.230 -14.942 6.432 626 HB3 LEU 94 HB3 LEU 94 6.727 -15.838 7.854 627 HG LEU 94 HG LEU 94 7.581 -13.048 7.977 628 HD11 LEU 94 HD11 LEU 94 5.407 -12.015 8.217 629 HD12 LEU 94 HD12 LEU 94 5.558 -12.729 6.594 630 HD13 LEU 94 HD13 LEU 94 4.597 -13.555 7.843 631 HD21 LEU 94 HD21 LEU 94 5.976 -13.408 10.107 632 HD22 LEU 94 HD22 LEU 94 6.327 -15.106 9.705 633 HD23 LEU 94 HD23 LEU 94 7.661 -13.976 10.035 634 H GLY 95 H GLY 95 10.889 -15.531 6.331 635 HA2 GLY 95 HA2 GLY 95 11.950 -16.374 8.579 636 HA3 GLY 95 HA3 GLY 95 10.988 -17.787 8.193 637 H ALA 96 H ALA 96 13.751 -15.768 7.233 638 HA ALA 96 HA ALA 96 15.267 -17.797 6.249 639 HB1 ALA 96 HB1 ALA 96 14.287 -18.395 4.309 640 HB2 ALA 96 HB2 ALA 96 13.162 -17.018 4.370 641 HB3 ALA 96 HB3 ALA 96 14.787 -16.808 3.676 642 H TRP 97 H TRP 97 16.968 -16.777 4.499 643 HA TRP 97 HA TRP 97 17.464 -14.038 5.452 644 HB2 TRP 97 HB2 TRP 97 19.829 -14.510 5.388 645 HB3 TRP 97 HB3 TRP 97 19.006 -15.614 6.471 646 HD1 TRP 97 HD1 TRP 97 18.470 -18.176 5.226 647 HE1 TRP 97 HE1 TRP 97 20.032 -19.671 3.712 648 HE3 TRP 97 HE3 TRP 97 21.598 -14.418 3.830 649 HZ2 TRP 97 HZ2 TRP 97 22.348 -19.126 2.137 650 HZ3 TRP 97 HZ3 TRP 97 23.484 -14.985 2.302 651 HH2 TRP 97 HH2 TRP 97 23.884 -17.244 1.460 652 H LEU 98 H LEU 98 15.895 -13.872 3.409 653 HA LEU 98 HA LEU 98 15.641 -13.234 1.313 654 HB2 LEU 98 HB2 LEU 98 18.286 -12.336 2.063 655 HB3 LEU 98 HB3 LEU 98 18.212 -12.676 0.346 656 HG LEU 98 HG LEU 98 15.883 -11.230 0.801 657 HD11 LEU 98 HD11 LEU 98 16.922 -10.774 3.111 658 HD12 LEU 98 HD12 LEU 98 18.061 -9.722 2.236 659 HD13 LEU 98 HD13 LEU 98 16.313 -9.390 2.170 660 HD21 LEU 98 HD21 LEU 98 18.364 -9.772 0.002 661 HD22 LEU 98 HD22 LEU 98 17.843 -11.162 -0.980 662 HD23 LEU 98 HD23 LEU 98 16.745 -9.782 -0.739 663 H GLY 99 H GLY 99 15.871 -13.926 -0.959 664 HA2 GLY 99 HA2 GLY 99 17.413 -16.394 -1.333 665 HA3 GLY 99 HA3 GLY 99 15.674 -16.459 -1.538 666 H SER 100 H SER 100 18.539 -16.121 -3.202 667 HA SER 100 HA SER 100 19.173 -15.202 -5.090 668 HB2 SER 100 HB2 SER 100 17.556 -15.596 -7.000 669 HB3 SER 100 HB3 SER 100 17.838 -16.997 -5.985 670 HG SER 100 HG SER 100 15.776 -17.010 -5.390 671 HA PRO 101 HA PRO 101 17.232 -11.151 -4.502 672 HB2 PRO 101 HB2 PRO 101 19.516 -9.739 -3.996 673 HB3 PRO 101 HB3 PRO 101 18.515 -10.426 -2.733 674 HG2 PRO 101 HG2 PRO 101 21.125 -11.370 -3.749 675 HG3 PRO 101 HG3 PRO 101 20.325 -11.769 -2.242 676 HD2 PRO 101 HD2 PRO 101 20.497 -13.419 -4.582 677 HD3 PRO 101 HD3 PRO 101 19.600 -13.767 -3.117 678 HA PRO 102 HA PRO 102 17.944 -9.739 -8.437 679 HB2 PRO 102 HB2 PRO 102 17.004 -7.175 -8.326 680 HB3 PRO 102 HB3 PRO 102 15.960 -8.572 -8.503 681 HG2 PRO 102 HG2 PRO 102 16.427 -6.899 -6.111 682 HG3 PRO 102 HG3 PRO 102 15.107 -8.005 -6.436 683 HD2 PRO 102 HD2 PRO 102 17.353 -8.473 -4.714 684 HD3 PRO 102 HD3 PRO 102 16.095 -9.620 -5.131 685 H SER 103 H SER 103 19.894 -9.558 -9.325 686 HA SER 103 HA SER 103 21.952 -8.879 -9.560 687 HB2 SER 103 HB2 SER 103 20.887 -7.025 -10.702 688 HB3 SER 103 HB3 SER 103 20.549 -6.202 -9.192 689 HG SER 103 HG SER 103 23.272 -6.794 -9.607 690 H SER 104 H SER 104 22.850 -9.869 -7.641 691 HA SER 104 HA SER 104 22.834 -8.403 -5.212 692 HB2 SER 104 HB2 SER 104 22.834 -10.775 -4.990 693 HB3 SER 104 HB3 SER 104 24.130 -10.978 -6.152 694 HG SER 104 HG SER 104 25.599 -9.985 -4.623 Start of MODEL 4 1 H MET 1 H1 MET 1 -24.222 -7.081 -7.132 2 HA MET 1 HA MET 1 -21.838 -6.168 -7.674 3 HB2 MET 1 HB2 MET 1 -23.259 -5.677 -5.621 4 HB3 MET 1 HB3 MET 1 -22.675 -7.160 -4.891 5 HG2 MET 1 HG2 MET 1 -20.525 -5.347 -5.891 6 HG3 MET 1 HG3 MET 1 -21.479 -4.687 -4.577 7 HE1 MET 1 HE1 MET 1 -18.060 -6.467 -4.714 8 HE2 MET 1 HE2 MET 1 -18.762 -4.873 -4.346 9 HE3 MET 1 HE3 MET 1 -18.197 -5.924 -3.024 10 H GLY 2 H GLY 2 -19.580 -6.618 -7.049 11 HA2 GLY 2 HA2 GLY 2 -18.122 -8.296 -5.972 12 HA3 GLY 2 HA3 GLY 2 -19.068 -9.523 -6.791 13 H LYS 3 H LYS 3 -17.634 -6.337 -7.820 14 HA LYS 3 HA LYS 3 -17.006 -7.307 -10.386 15 HB2 LYS 3 HB2 LYS 3 -17.099 -4.828 -9.071 16 HB3 LYS 3 HB3 LYS 3 -15.425 -5.014 -9.554 17 HG2 LYS 3 HG2 LYS 3 -16.355 -4.072 -11.489 18 HG3 LYS 3 HG3 LYS 3 -16.429 -5.780 -11.874 19 HD2 LYS 3 HD2 LYS 3 -18.610 -5.097 -12.400 20 HD3 LYS 3 HD3 LYS 3 -18.821 -5.687 -10.763 21 HE2 LYS 3 HE2 LYS 3 -19.918 -3.573 -10.760 22 HE3 LYS 3 HE3 LYS 3 -18.380 -3.252 -9.984 23 HZ1 LYS 3 HZ1 LYS 3 -19.310 -2.376 -12.596 24 HZ2 LYS 3 HZ2 LYS 3 -18.308 -1.622 -11.557 25 HZ3 LYS 3 HZ3 LYS 3 -17.744 -2.840 -12.493 26 H GLU 4 H GLU 4 -14.754 -6.285 -7.717 27 HA GLU 4 HA GLU 4 -12.488 -7.234 -8.774 28 HB2 GLU 4 HB2 GLU 4 -13.423 -7.168 -5.883 29 HB3 GLU 4 HB3 GLU 4 -11.790 -7.642 -6.305 30 HG2 GLU 4 HG2 GLU 4 -11.213 -5.504 -7.086 31 HG3 GLU 4 HG3 GLU 4 -12.865 -5.086 -7.494 32 H SER 5 H SER 5 -14.639 -9.119 -6.518 33 HA SER 5 HA SER 5 -14.850 -11.253 -6.161 34 HB2 SER 5 HB2 SER 5 -15.114 -12.718 -8.100 35 HB3 SER 5 HB3 SER 5 -15.802 -11.148 -8.462 36 HG SER 5 HG SER 5 -13.382 -12.333 -9.443 37 H GLY 6 H GLY 6 -12.849 -11.186 -4.814 38 HA2 GLY 6 HA2 GLY 6 -10.702 -12.818 -6.027 39 HA3 GLY 6 HA3 GLY 6 -10.359 -11.421 -5.026 40 H TRP 7 H TRP 7 -9.558 -12.177 -3.104 41 HA TRP 7 HA TRP 7 -11.248 -13.483 -1.300 42 HB2 TRP 7 HB2 TRP 7 -10.422 -15.325 -3.058 43 HB3 TRP 7 HB3 TRP 7 -9.041 -15.356 -1.980 44 HD1 TRP 7 HD1 TRP 7 -12.930 -15.619 -1.580 45 HE1 TRP 7 HE1 TRP 7 -13.543 -17.348 0.317 46 HE3 TRP 7 HE3 TRP 7 -8.133 -16.655 -0.246 47 HZ2 TRP 7 HZ2 TRP 7 -11.988 -18.920 2.121 48 HZ3 TRP 7 HZ3 TRP 7 -7.768 -18.298 1.592 49 HH2 TRP 7 HH2 TRP 7 -9.600 -19.416 2.763 50 H ASP 8 H ASP 8 -10.543 -11.849 0.108 51 HA ASP 8 HA ASP 8 -7.983 -12.301 1.241 52 HB2 ASP 8 HB2 ASP 8 -7.717 -10.663 -0.807 53 HB3 ASP 8 HB3 ASP 8 -8.505 -9.486 0.224 54 H SER 9 H SER 9 -9.629 -12.740 2.986 55 HA SER 9 HA SER 9 -9.946 -10.549 4.653 56 HB2 SER 9 HB2 SER 9 -11.935 -10.568 2.710 57 HB3 SER 9 HB3 SER 9 -12.708 -11.424 4.030 58 HG SER 9 HG SER 9 -11.481 -8.802 4.169 59 H GLY 10 H GLY 10 -12.132 -11.411 6.251 60 HA2 GLY 10 HA2 GLY 10 -12.962 -13.197 7.450 61 HA3 GLY 10 HA3 GLY 10 -11.834 -14.281 6.660 62 H ARG 11 H ARG 11 -11.553 -15.050 8.985 63 HA ARG 11 HA ARG 11 -10.608 -13.580 11.004 64 HB2 ARG 11 HB2 ARG 11 -9.320 -15.724 11.673 65 HB3 ARG 11 HB3 ARG 11 -11.040 -15.904 11.392 66 HG2 ARG 11 HG2 ARG 11 -10.425 -17.607 9.995 67 HG3 ARG 11 HG3 ARG 11 -10.078 -16.329 8.847 68 HD2 ARG 11 HD2 ARG 11 -7.713 -16.272 10.109 69 HD3 ARG 11 HD3 ARG 11 -8.155 -17.904 10.570 70 HE ARG 11 HE ARG 11 -8.589 -17.504 7.737 71 HH11 ARG 11 HH22 ARG 11 -6.022 -18.061 10.114 72 HH12 ARG 11 HH21 ARG 11 -4.950 -18.796 8.969 73 HH21 ARG 11 HH12 ARG 11 -7.188 -18.460 6.260 74 HH22 ARG 11 HH11 ARG 11 -5.625 -19.021 6.760 75 H ALA 12 H ALA 12 -8.687 -15.071 8.314 76 HA ALA 12 HA ALA 12 -6.158 -14.563 9.087 77 HB1 ALA 12 HB1 ALA 12 -5.669 -15.050 6.921 78 HB2 ALA 12 HB2 ALA 12 -7.417 -15.355 6.783 79 HB3 ALA 12 HB3 ALA 12 -6.746 -13.782 6.289 80 H ALA 13 H ALA 13 -8.574 -12.208 7.842 81 HA ALA 13 HA ALA 13 -7.069 -10.042 7.325 82 HB1 ALA 13 HB1 ALA 13 -9.550 -9.837 9.048 83 HB2 ALA 13 HB2 ALA 13 -9.019 -8.776 7.721 84 HB3 ALA 13 HB3 ALA 13 -9.641 -10.405 7.364 85 H VAL 14 H VAL 14 -8.270 -10.989 10.625 86 HA VAL 14 HA VAL 14 -7.150 -9.000 12.081 87 HB VAL 14 HB VAL 14 -7.491 -11.940 12.665 88 HG11 VAL 14 HG11 VAL 14 -7.180 -11.465 15.025 89 HG12 VAL 14 HG12 VAL 14 -5.722 -10.985 14.125 90 HG13 VAL 14 HG13 VAL 14 -6.877 -9.747 14.673 91 HG21 VAL 14 HG21 VAL 14 -9.378 -10.953 14.107 92 HG22 VAL 14 HG22 VAL 14 -9.128 -9.453 13.182 93 HG23 VAL 14 HG23 VAL 14 -9.600 -10.949 12.341 94 H ALA 15 H ALA 15 -5.550 -12.056 10.971 95 HA ALA 15 HA ALA 15 -3.111 -11.644 12.190 96 HB1 ALA 15 HB1 ALA 15 -4.288 -13.462 10.404 97 HB2 ALA 15 HB2 ALA 15 -2.878 -12.818 9.528 98 HB3 ALA 15 HB3 ALA 15 -2.664 -13.576 11.124 99 H ALA 16 H ALA 16 -4.367 -10.461 9.015 100 HA ALA 16 HA ALA 16 -1.980 -9.278 8.178 101 HB1 ALA 16 HB1 ALA 16 -3.249 -8.554 6.405 102 HB2 ALA 16 HB2 ALA 16 -4.377 -9.770 7.051 103 HB3 ALA 16 HB3 ALA 16 -4.605 -8.048 7.441 104 H VAL 17 H VAL 17 -4.496 -8.292 10.481 105 HA VAL 17 HA VAL 17 -3.577 -5.567 10.547 106 HB VAL 17 HB VAL 17 -5.591 -7.180 12.111 107 HG11 VAL 17 HG11 VAL 17 -6.188 -4.626 12.787 108 HG12 VAL 17 HG12 VAL 17 -5.186 -5.706 13.786 109 HG13 VAL 17 HG13 VAL 17 -4.413 -4.521 12.706 110 HG21 VAL 17 HG21 VAL 17 -5.844 -6.211 9.627 111 HG22 VAL 17 HG22 VAL 17 -7.199 -6.253 10.780 112 HG23 VAL 17 HG23 VAL 17 -6.288 -4.744 10.533 113 H VAL 18 H VAL 18 -2.749 -8.633 11.994 114 HA VAL 18 HA VAL 18 -1.664 -7.554 14.395 115 HB VAL 18 HB VAL 18 -1.442 -10.199 12.960 116 HG11 VAL 18 HG11 VAL 18 -0.341 -9.552 15.714 117 HG12 VAL 18 HG12 VAL 18 -0.253 -11.106 14.852 118 HG13 VAL 18 HG13 VAL 18 0.649 -9.698 14.242 119 HG21 VAL 18 HG21 VAL 18 -3.485 -10.391 13.891 120 HG22 VAL 18 HG22 VAL 18 -2.591 -10.653 15.407 121 HG23 VAL 18 HG23 VAL 18 -3.214 -9.034 15.010 122 H GLY 19 H GLY 19 -0.677 -7.699 11.063 123 HA2 GLY 19 HA2 GLY 19 1.899 -6.535 11.799 124 HA3 GLY 19 HA3 GLY 19 1.933 -8.021 10.872 125 H GLY 20 H GLY 20 1.780 -4.621 10.692 126 HA2 GLY 20 HA2 GLY 20 2.126 -4.185 8.125 127 HA3 GLY 20 HA3 GLY 20 0.416 -4.565 8.105 128 H VAL 21 H VAL 21 0.042 -3.450 10.920 129 HA VAL 21 HA VAL 21 -0.914 -0.988 10.314 130 HB VAL 21 HB VAL 21 -1.429 -2.185 12.342 131 HG11 VAL 21 HG11 VAL 21 1.267 -1.454 13.492 132 HG12 VAL 21 HG12 VAL 21 0.064 -2.614 14.105 133 HG13 VAL 21 HG13 VAL 21 1.001 -2.994 12.639 134 HG21 VAL 21 HG21 VAL 21 -2.014 -0.247 13.275 135 HG22 VAL 21 HG22 VAL 21 -0.336 0.055 13.786 136 HG23 VAL 21 HG23 VAL 21 -0.887 0.589 12.180 137 H VAL 22 H VAL 22 2.351 -1.739 11.720 138 HA VAL 22 HA VAL 22 3.298 0.822 11.864 139 HB VAL 22 HB VAL 22 5.527 -0.211 11.678 140 HG11 VAL 22 HG11 VAL 22 4.841 -0.377 13.854 141 HG12 VAL 22 HG12 VAL 22 3.376 -1.299 13.443 142 HG13 VAL 22 HG13 VAL 22 4.961 -2.110 13.468 143 HG21 VAL 22 HG21 VAL 22 5.463 -1.850 10.047 144 HG22 VAL 22 HG22 VAL 22 5.420 -2.832 11.531 145 HG23 VAL 22 HG23 VAL 22 3.920 -2.521 10.625 146 H ALA 23 H ALA 23 3.353 -1.449 9.043 147 HA ALA 23 HA ALA 23 4.759 0.178 7.310 148 HB1 ALA 23 HB1 ALA 23 4.482 -1.765 6.209 149 HB2 ALA 23 HB2 ALA 23 3.090 -2.211 7.224 150 HB3 ALA 23 HB3 ALA 23 2.850 -1.204 5.776 151 H VAL 24 H VAL 24 1.306 0.188 8.278 152 HA VAL 24 HA VAL 24 0.523 2.040 6.280 153 HB VAL 24 HB VAL 24 -0.726 1.195 8.901 154 HG11 VAL 24 HG11 VAL 24 -1.997 3.041 8.582 155 HG12 VAL 24 HG12 VAL 24 -1.554 3.182 6.864 156 HG13 VAL 24 HG13 VAL 24 -2.811 2.026 7.367 157 HG21 VAL 24 HG21 VAL 24 -0.346 -0.562 7.104 158 HG22 VAL 24 HG22 VAL 24 -2.028 -0.346 7.644 159 HG23 VAL 24 HG23 VAL 24 -1.494 0.350 6.096 160 H GLY 25 H GLY 25 1.998 2.241 9.496 161 HA2 GLY 25 HA2 GLY 25 1.336 4.929 10.064 162 HA3 GLY 25 HA3 GLY 25 2.643 3.990 10.757 163 H THR 26 H THR 26 4.412 3.428 8.812 164 HA THR 26 HA THR 26 5.674 5.881 8.328 165 HB THR 26 HB THR 26 6.051 3.063 7.190 166 HG1 THR 26 HG1 THR 26 7.372 2.944 9.031 167 HG21 THR 26 HG21 THR 26 7.291 4.583 5.728 168 HG22 THR 26 HG22 THR 26 7.839 5.547 7.121 169 HG23 THR 26 HG23 THR 26 8.454 3.893 6.885 170 H VAL 27 H VAL 27 3.725 3.741 6.169 171 HA VAL 27 HA VAL 27 4.124 5.113 3.827 172 HB VAL 27 HB VAL 27 1.926 3.445 4.977 173 HG11 VAL 27 HG11 VAL 27 1.685 5.265 2.627 174 HG12 VAL 27 HG12 VAL 27 1.046 3.613 2.448 175 HG13 VAL 27 HG13 VAL 27 0.440 4.665 3.750 176 HG21 VAL 27 HG21 VAL 27 3.745 2.178 4.186 177 HG22 VAL 27 HG22 VAL 27 2.542 2.095 2.877 178 HG23 VAL 27 HG23 VAL 27 3.937 3.191 2.734 179 H LEU 28 H LEU 28 1.528 5.640 6.315 180 HA LEU 28 HA LEU 28 0.344 7.797 5.056 181 HB2 LEU 28 HB2 LEU 28 0.253 6.465 7.611 182 HB3 LEU 28 HB3 LEU 28 0.145 8.200 7.832 183 HG LEU 28 HG LEU 28 -2.065 7.199 7.677 184 HD11 LEU 28 HD11 LEU 28 -2.654 9.166 6.842 185 HD12 LEU 28 HD12 LEU 28 -1.098 9.323 5.991 186 HD13 LEU 28 HD13 LEU 28 -2.463 8.492 5.206 187 HD21 LEU 28 HD21 LEU 28 -1.281 6.295 4.892 188 HD22 LEU 28 HD22 LEU 28 -1.478 5.242 6.314 189 HD23 LEU 28 HD23 LEU 28 -2.880 6.118 5.655 190 H VAL 29 H VAL 29 3.092 7.669 7.399 191 HA VAL 29 HA VAL 29 3.411 10.401 7.699 192 HB VAL 29 HB VAL 29 5.261 8.034 7.857 193 HG11 VAL 29 HG11 VAL 29 6.610 10.014 9.193 194 HG12 VAL 29 HG12 VAL 29 6.993 9.442 7.551 195 HG13 VAL 29 HG13 VAL 29 5.985 10.892 7.776 196 HG21 VAL 29 HG21 VAL 29 3.545 9.575 9.705 197 HG22 VAL 29 HG22 VAL 29 4.095 7.884 9.784 198 HG23 VAL 29 HG23 VAL 29 5.168 9.195 10.328 199 H ALA 30 H ALA 30 4.248 8.214 5.031 200 HA ALA 30 HA ALA 30 6.068 9.992 3.781 201 HB1 ALA 30 HB1 ALA 30 6.259 8.316 2.217 202 HB2 ALA 30 HB2 ALA 30 5.535 7.369 3.539 203 HB3 ALA 30 HB3 ALA 30 4.512 7.971 2.213 204 H LEU 31 H LEU 31 2.651 9.023 2.978 205 HA LEU 31 HA LEU 31 2.236 10.824 0.971 206 HB2 LEU 31 HB2 LEU 31 0.783 8.917 1.888 207 HB3 LEU 31 HB3 LEU 31 0.128 10.108 2.995 208 HG LEU 31 HG LEU 31 -1.179 9.639 0.859 209 HD11 LEU 31 HD11 LEU 31 -0.615 12.562 0.955 210 HD12 LEU 31 HD12 LEU 31 -2.163 11.684 0.991 211 HD13 LEU 31 HD13 LEU 31 -1.154 11.772 2.455 212 HD21 LEU 31 HD21 LEU 31 0.620 11.573 -0.540 213 HD22 LEU 31 HD22 LEU 31 1.083 9.855 -0.486 214 HD23 LEU 31 HD23 LEU 31 -0.474 10.334 -1.202 215 H SER 32 H SER 32 2.083 11.325 4.526 216 HA SER 32 HA SER 32 1.012 13.892 4.353 217 HB2 SER 32 HB2 SER 32 1.987 12.092 6.401 218 HB3 SER 32 HB3 SER 32 2.656 13.685 6.693 219 HG SER 32 HG SER 32 -0.146 13.349 6.113 220 H ALA 33 H ALA 33 4.414 12.745 4.985 221 HA ALA 33 HA ALA 33 5.390 15.421 4.442 222 HB1 ALA 33 HB1 ALA 33 6.269 14.153 6.358 223 HB2 ALA 33 HB2 ALA 33 6.790 12.846 5.268 224 HB3 ALA 33 HB3 ALA 33 7.553 14.450 5.162 225 H MET 34 H MET 34 4.089 14.401 2.203 226 HA MET 34 HA MET 34 6.241 13.362 0.553 227 HB2 MET 34 HB2 MET 34 3.572 12.642 0.778 228 HB3 MET 34 HB3 MET 34 3.485 13.759 -0.570 229 HG2 MET 34 HG2 MET 34 5.282 12.463 -1.752 230 HG3 MET 34 HG3 MET 34 5.352 11.342 -0.408 231 HE1 MET 34 HE1 MET 34 5.284 10.019 -2.504 232 HE2 MET 34 HE2 MET 34 4.130 8.850 -1.819 233 HE3 MET 34 HE3 MET 34 3.826 9.566 -3.420 234 H GLY 35 H GLY 35 5.975 16.228 1.535 235 HA2 GLY 35 HA2 GLY 35 6.931 18.014 0.289 236 HA3 GLY 35 HA3 GLY 35 6.047 17.490 -1.130 237 H PHE 36 H PHE 36 5.023 18.028 2.318 238 HA PHE 36 HA PHE 36 3.612 20.393 1.691 239 HB2 PHE 36 HB2 PHE 36 2.371 17.807 1.189 240 HB3 PHE 36 HB3 PHE 36 1.578 18.500 2.589 241 HD1 PHE 36 HD1 PHE 36 1.302 21.273 2.111 242 HD2 PHE 36 HD2 PHE 36 1.129 18.115 -0.718 243 HE1 PHE 36 HE1 PHE 36 -0.109 22.700 0.605 244 HE2 PHE 36 HE2 PHE 36 -0.282 19.542 -2.225 245 HZ PHE 36 HZ PHE 36 -0.885 21.818 -1.546 246 H THR 37 H THR 37 3.963 17.493 3.802 247 HA THR 37 HA THR 37 4.084 17.275 6.011 248 HB THR 37 HB THR 37 4.748 20.265 6.002 249 HG1 THR 37 HG1 THR 37 5.951 18.855 4.450 250 HG21 THR 37 HG21 THR 37 6.476 19.077 7.735 251 HG22 THR 37 HG22 THR 37 4.904 19.722 8.265 252 HG23 THR 37 HG23 THR 37 5.087 17.982 7.935 253 H SER 38 H SER 38 2.995 17.685 8.082 254 HA SER 38 HA SER 38 0.355 18.735 7.508 255 HB2 SER 38 HB2 SER 38 1.468 16.641 9.326 256 HB3 SER 38 HB3 SER 38 0.115 17.554 9.965 257 HG SER 38 HG SER 38 -0.938 15.984 8.870 258 H VAL 39 H VAL 39 2.554 18.551 10.412 259 HA VAL 39 HA VAL 39 3.026 20.013 11.999 260 HB VAL 39 HB VAL 39 3.181 21.413 9.536 261 HG11 VAL 39 HG11 VAL 39 1.279 22.771 10.333 262 HG12 VAL 39 HG12 VAL 39 2.194 23.174 11.806 263 HG13 VAL 39 HG13 VAL 39 2.777 23.724 10.217 264 HG21 VAL 39 HG21 VAL 39 5.175 22.098 10.384 265 HG22 VAL 39 HG22 VAL 39 4.478 22.552 11.958 266 HG23 VAL 39 HG23 VAL 39 4.826 20.844 11.598 267 H GLY 40 H GLY 40 2.083 21.743 13.480 268 HA2 GLY 40 HA2 GLY 40 -0.335 21.141 14.446 269 HA3 GLY 40 HA3 GLY 40 0.335 22.759 14.513 270 H ILE 41 H ILE 41 0.286 23.562 11.811 271 HA ILE 41 HA ILE 41 -2.210 24.567 11.506 272 HB ILE 41 HB ILE 41 -0.164 23.857 9.404 273 HG12 ILE 41 HG12 ILE 41 -0.673 26.618 10.458 274 HG13 ILE 41 HG13 ILE 41 0.267 25.503 11.430 275 HG21 ILE 41 HG21 ILE 41 -2.861 24.821 9.088 276 HG22 ILE 41 HG22 ILE 41 -1.697 26.063 8.564 277 HG23 ILE 41 HG23 ILE 41 -1.640 24.432 7.852 278 HD11 ILE 41 HD11 ILE 41 1.957 26.460 10.141 279 HD12 ILE 41 HD12 ILE 41 1.545 25.058 9.125 280 HD13 ILE 41 HD13 ILE 41 0.901 26.668 8.723 281 H ALA 42 H ALA 42 -0.922 21.590 9.865 282 HA ALA 42 HA ALA 42 -3.337 20.907 8.662 283 HB1 ALA 42 HB1 ALA 42 -2.273 18.699 8.385 284 HB2 ALA 42 HB2 ALA 42 -1.120 20.009 8.035 285 HB3 ALA 42 HB3 ALA 42 -1.035 19.138 9.586 286 H ALA 43 H ALA 43 -2.030 20.353 11.943 287 HA ALA 43 HA ALA 43 -3.883 18.393 12.710 288 HB1 ALA 43 HB1 ALA 43 -3.066 20.083 14.909 289 HB2 ALA 43 HB2 ALA 43 -2.545 18.427 14.513 290 HB3 ALA 43 HB3 ALA 43 -1.687 19.820 13.814 291 H SER 44 H SER 44 -4.039 21.923 12.386 292 HA SER 44 HA SER 44 -6.349 22.165 14.000 293 HB2 SER 44 HB2 SER 44 -4.489 23.933 13.139 294 HB3 SER 44 HB3 SER 44 -5.699 24.214 11.903 295 HG SER 44 HG SER 44 -5.765 24.803 14.666 296 H SER 45 H SER 45 -5.677 22.270 10.427 297 HA SER 45 HA SER 45 -8.227 22.655 9.583 298 HB2 SER 45 HB2 SER 45 -5.877 21.160 8.383 299 HB3 SER 45 HB3 SER 45 -7.401 21.252 7.521 300 HG SER 45 HG SER 45 -5.579 23.355 8.207 301 H ILE 46 H ILE 46 -6.592 19.644 10.652 302 HA ILE 46 HA ILE 46 -8.675 17.920 9.806 303 HB ILE 46 HB ILE 46 -6.341 17.631 11.686 304 HG12 ILE 46 HG12 ILE 46 -5.771 17.858 9.328 305 HG13 ILE 46 HG13 ILE 46 -5.421 16.240 9.903 306 HG21 ILE 46 HG21 ILE 46 -8.693 15.922 11.418 307 HG22 ILE 46 HG22 ILE 46 -7.173 15.067 11.065 308 HG23 ILE 46 HG23 ILE 46 -7.384 15.898 12.624 309 HD11 ILE 46 HD11 ILE 46 -6.681 15.435 8.202 310 HD12 ILE 46 HD12 ILE 46 -8.111 16.135 8.999 311 HD13 ILE 46 HD13 ILE 46 -7.225 17.076 7.775 312 H ALA 47 H ALA 47 -7.706 19.280 13.031 313 HA ALA 47 HA ALA 47 -9.651 18.176 14.568 314 HB1 ALA 47 HB1 ALA 47 -7.716 20.181 14.795 315 HB2 ALA 47 HB2 ALA 47 -9.244 21.012 15.174 316 HB3 ALA 47 HB3 ALA 47 -8.762 19.570 16.100 317 H ALA 48 H ALA 48 -9.885 21.210 12.591 318 HA ALA 48 HA ALA 48 -12.336 22.081 13.224 319 HB1 ALA 48 HB1 ALA 48 -10.570 22.760 11.371 320 HB2 ALA 48 HB2 ALA 48 -11.639 21.814 10.307 321 HB3 ALA 48 HB3 ALA 48 -12.282 23.215 11.197 322 H LYS 49 H LYS 49 -11.838 19.780 10.448 323 HA LYS 49 HA LYS 49 -13.677 17.903 11.300 324 HB2 LYS 49 HB2 LYS 49 -15.020 20.242 10.602 325 HB3 LYS 49 HB3 LYS 49 -15.167 19.242 9.172 326 HG2 LYS 49 HG2 LYS 49 -15.645 17.397 11.194 327 HG3 LYS 49 HG3 LYS 49 -16.338 18.855 11.876 328 HD2 LYS 49 HD2 LYS 49 -17.057 18.580 9.043 329 HD3 LYS 49 HD3 LYS 49 -17.522 17.153 9.948 330 HE2 LYS 49 HE2 LYS 49 -19.058 18.304 11.263 331 HE3 LYS 49 HE3 LYS 49 -18.135 19.793 11.237 332 HZ1 LYS 49 HZ1 LYS 49 -18.923 20.277 9.060 333 HZ2 LYS 49 HZ2 LYS 49 -19.508 18.777 8.815 334 HZ3 LYS 49 HZ3 LYS 49 -20.216 19.757 9.917 335 H MET 50 H MET 50 -14.602 16.726 9.084 336 HA MET 50 HA MET 50 -12.952 17.018 6.848 337 HB2 MET 50 HB2 MET 50 -11.304 15.982 8.484 338 HB3 MET 50 HB3 MET 50 -12.380 14.611 8.667 339 HG2 MET 50 HG2 MET 50 -10.619 14.059 7.038 340 HG3 MET 50 HG3 MET 50 -12.169 14.113 6.222 341 HE1 MET 50 HE1 MET 50 -11.110 15.357 3.350 342 HE2 MET 50 HE2 MET 50 -9.447 15.048 3.905 343 HE3 MET 50 HE3 MET 50 -10.764 13.949 4.383 344 H MET 51 H MET 51 -15.509 17.045 6.598 345 HA MET 51 HA MET 51 -16.134 14.618 5.305 346 HB2 MET 51 HB2 MET 51 -16.666 14.111 7.760 347 HB3 MET 51 HB3 MET 51 -17.835 15.416 7.732 348 HG2 MET 51 HG2 MET 51 -18.801 14.119 5.610 349 HG3 MET 51 HG3 MET 51 -17.936 12.754 6.291 350 HE1 MET 51 HE1 MET 51 -20.311 11.981 5.955 351 HE2 MET 51 HE2 MET 51 -21.410 11.837 7.348 352 HE3 MET 51 HE3 MET 51 -21.559 13.218 6.235 353 H SER 52 H SER 52 -17.961 14.849 3.876 354 HA SER 52 HA SER 52 -19.810 16.846 4.019 355 HB2 SER 52 HB2 SER 52 -17.418 18.075 3.513 356 HB3 SER 52 HB3 SER 52 -17.938 17.749 1.872 357 HG SER 52 HG SER 52 -20.097 18.701 3.177 358 H THR 53 H THR 53 -20.698 17.312 1.567 359 HA THR 53 HA THR 53 -21.636 15.001 0.549 360 HB THR 53 HB THR 53 -22.422 17.250 -0.101 361 HG1 THR 53 HG1 THR 53 -22.548 16.682 -2.387 362 HG21 THR 53 HG21 THR 53 -21.162 18.782 -1.366 363 HG22 THR 53 HG22 THR 53 -19.877 18.081 -0.353 364 HG23 THR 53 HG23 THR 53 -20.102 17.513 -2.025 365 H ALA 54 H ALA 54 -18.438 16.460 -0.135 366 HA ALA 54 HA ALA 54 -16.668 15.677 -1.209 367 HB1 ALA 54 HB1 ALA 54 -17.708 12.870 -0.760 368 HB2 ALA 54 HB2 ALA 54 -16.030 13.463 -0.715 369 HB3 ALA 54 HB3 ALA 54 -17.155 13.875 0.602 370 H ALA 55 H ALA 55 -15.910 14.197 -3.135 371 HA ALA 55 HA ALA 55 -16.113 13.624 -5.263 372 HB1 ALA 55 HB1 ALA 55 -18.529 12.655 -4.008 373 HB2 ALA 55 HB2 ALA 55 -18.893 13.189 -5.667 374 HB3 ALA 55 HB3 ALA 55 -17.627 11.970 -5.381 375 H ILE 56 H ILE 56 -15.808 16.250 -4.909 376 HA ILE 56 HA ILE 56 -17.963 17.567 -6.379 377 HB ILE 56 HB ILE 56 -15.631 18.686 -4.820 378 HG12 ILE 56 HG12 ILE 56 -17.931 19.515 -3.576 379 HG13 ILE 56 HG13 ILE 56 -18.379 17.900 -4.089 380 HG21 ILE 56 HG21 ILE 56 -17.804 20.523 -5.401 381 HG22 ILE 56 HG22 ILE 56 -16.052 20.705 -5.651 382 HG23 ILE 56 HG23 ILE 56 -17.048 19.902 -6.888 383 HD11 ILE 56 HD11 ILE 56 -16.275 17.004 -3.042 384 HD12 ILE 56 HD12 ILE 56 -15.908 18.645 -2.458 385 HD13 ILE 56 HD13 ILE 56 -17.353 17.792 -1.864 386 H ALA 57 H ALA 57 -17.042 16.018 -8.192 387 HA ALA 57 HA ALA 57 -16.162 16.012 -10.230 388 HB1 ALA 57 HB1 ALA 57 -16.160 18.055 -11.161 389 HB2 ALA 57 HB2 ALA 57 -16.181 18.785 -9.538 390 HB3 ALA 57 HB3 ALA 57 -14.629 18.443 -10.340 391 H ASN 58 H ASN 58 -13.593 18.041 -8.705 392 HA ASN 58 HA ASN 58 -11.953 15.646 -8.592 393 HB2 ASN 58 HB2 ASN 58 -11.591 17.973 -10.347 394 HB3 ASN 58 HB3 ASN 58 -10.213 17.800 -9.277 395 HD21 ASN 58 HD21 ASN 58 -11.319 17.035 -12.208 396 HD22 ASN 58 HD22 ASN 58 -10.500 15.543 -12.532 397 H GLY 59 H GLY 59 -10.768 15.571 -6.645 398 HA2 GLY 59 HA2 GLY 59 -9.412 16.748 -5.039 399 HA3 GLY 59 HA3 GLY 59 -10.542 18.086 -5.108 400 H GLY 60 H GLY 60 -13.042 17.009 -4.878 401 HA2 GLY 60 HA2 GLY 60 -13.359 16.517 -2.185 402 HA3 GLY 60 HA3 GLY 60 -14.523 16.127 -3.435 403 H GLY 61 H GLY 61 -14.427 14.476 -1.233 404 HA2 GLY 61 HA2 GLY 61 -14.377 12.280 -0.736 405 HA3 GLY 61 HA3 GLY 61 -13.912 11.944 -2.392 406 H VAL 62 H VAL 62 -12.729 10.298 -0.668 407 HA VAL 62 HA VAL 62 -10.284 11.417 0.352 408 HB VAL 62 HB VAL 62 -11.290 8.569 0.181 409 HG11 VAL 62 HG11 VAL 62 -8.727 9.182 0.528 410 HG12 VAL 62 HG12 VAL 62 -9.272 9.474 2.197 411 HG13 VAL 62 HG13 VAL 62 -9.508 7.876 1.450 412 HG21 VAL 62 HG21 VAL 62 -11.510 10.669 2.356 413 HG22 VAL 62 HG22 VAL 62 -12.826 9.814 1.517 414 HG23 VAL 62 HG23 VAL 62 -11.766 8.931 2.641 415 H ALA 63 H ALA 63 -10.858 8.547 -1.798 416 HA ALA 63 HA ALA 63 -8.302 8.741 -2.944 417 HB1 ALA 63 HB1 ALA 63 -8.901 6.692 -3.642 418 HB2 ALA 63 HB2 ALA 63 -10.509 6.961 -2.928 419 HB3 ALA 63 HB3 ALA 63 -10.213 7.371 -4.635 420 H ALA 64 H ALA 64 -11.588 9.434 -4.352 421 HA ALA 64 HA ALA 64 -10.865 10.414 -6.749 422 HB1 ALA 64 HB1 ALA 64 -13.157 10.297 -6.352 423 HB2 ALA 64 HB2 ALA 64 -13.034 11.125 -4.781 424 HB3 ALA 64 HB3 ALA 64 -12.883 12.055 -6.291 425 H GLY 65 H GLY 65 -9.400 11.898 -7.406 426 HA2 GLY 65 HA2 GLY 65 -9.073 14.384 -7.265 427 HA3 GLY 65 HA3 GLY 65 -8.797 14.123 -5.554 428 H SER 66 H SER 66 -6.631 15.073 -5.900 429 HA SER 66 HA SER 66 -4.793 14.142 -7.662 430 HB2 SER 66 HB2 SER 66 -4.837 15.886 -5.447 431 HB3 SER 66 HB3 SER 66 -3.590 14.722 -5.048 432 HG SER 66 HG SER 66 -2.466 15.229 -6.957 433 H LEU 67 H LEU 67 -5.886 12.756 -4.555 434 HA LEU 67 HA LEU 67 -3.857 11.015 -4.000 435 HB2 LEU 67 HB2 LEU 67 -6.370 11.546 -3.042 436 HB3 LEU 67 HB3 LEU 67 -6.555 9.913 -3.648 437 HG LEU 67 HG LEU 67 -4.114 10.031 -2.155 438 HD11 LEU 67 HD11 LEU 67 -6.318 11.643 -1.030 439 HD12 LEU 67 HD12 LEU 67 -5.600 10.447 0.077 440 HD13 LEU 67 HD13 LEU 67 -4.570 11.678 -0.694 441 HD21 LEU 67 HD21 LEU 67 -6.520 8.709 -1.020 442 HD22 LEU 67 HD22 LEU 67 -6.009 8.200 -2.647 443 HD23 LEU 67 HD23 LEU 67 -4.874 8.085 -1.281 444 H VAL 68 H VAL 68 -6.352 10.850 -6.546 445 HA VAL 68 HA VAL 68 -6.218 8.214 -7.234 446 HB VAL 68 HB VAL 68 -6.504 10.718 -8.892 447 HG11 VAL 68 HG11 VAL 68 -7.642 8.941 -10.501 448 HG12 VAL 68 HG12 VAL 68 -5.901 9.300 -10.596 449 HG13 VAL 68 HG13 VAL 68 -6.464 7.846 -9.739 450 HG21 VAL 68 HG21 VAL 68 -8.216 10.016 -7.093 451 HG22 VAL 68 HG22 VAL 68 -8.822 10.392 -8.724 452 HG23 VAL 68 HG23 VAL 68 -8.642 8.697 -8.210 453 H ALA 69 H ALA 69 -4.014 10.904 -8.256 454 HA ALA 69 HA ALA 69 -2.393 9.279 -9.869 455 HB1 ALA 69 HB1 ALA 69 -0.921 11.473 -8.733 456 HB2 ALA 69 HB2 ALA 69 -1.608 11.321 -10.368 457 HB3 ALA 69 HB3 ALA 69 -2.588 12.010 -9.051 458 H ILE 70 H ILE 70 -2.501 9.971 -6.370 459 HA ILE 70 HA ILE 70 0.064 8.995 -5.775 460 HB ILE 70 HB ILE 70 -2.411 9.144 -4.051 461 HG12 ILE 70 HG12 ILE 70 -0.202 11.182 -4.458 462 HG13 ILE 70 HG13 ILE 70 -1.819 11.298 -5.121 463 HG21 ILE 70 HG21 ILE 70 0.258 9.447 -2.836 464 HG22 ILE 70 HG22 ILE 70 -1.185 8.581 -2.257 465 HG23 ILE 70 HG23 ILE 70 -0.109 7.819 -3.454 466 HD11 ILE 70 HD11 ILE 70 -0.880 11.881 -2.402 467 HD12 ILE 70 HD12 ILE 70 -2.398 12.359 -3.199 468 HD13 ILE 70 HD13 ILE 70 -2.273 10.773 -2.400 469 H LEU 71 H LEU 71 -3.167 7.421 -5.204 470 HA LEU 71 HA LEU 71 -2.212 4.941 -4.584 471 HB2 LEU 71 HB2 LEU 71 -4.679 6.151 -5.039 472 HB3 LEU 71 HB3 LEU 71 -4.634 4.825 -6.185 473 HG LEU 71 HG LEU 71 -3.762 3.577 -3.909 474 HD11 LEU 71 HD11 LEU 71 -4.141 4.902 -2.151 475 HD12 LEU 71 HD12 LEU 71 -5.177 6.008 -3.084 476 HD13 LEU 71 HD13 LEU 71 -5.860 4.513 -2.399 477 HD21 LEU 71 HD21 LEU 71 -6.437 3.853 -5.234 478 HD22 LEU 71 HD22 LEU 71 -5.338 2.455 -5.153 479 HD23 LEU 71 HD23 LEU 71 -6.294 2.921 -3.725 480 H GLN 72 H GLN 72 -2.557 6.499 -7.777 481 HA GLN 72 HA GLN 72 -2.324 4.243 -9.326 482 HB2 GLN 72 HB2 GLN 72 -2.300 7.084 -9.692 483 HB3 GLN 72 HB3 GLN 72 -0.915 6.451 -10.559 484 HG2 GLN 72 HG2 GLN 72 -2.224 5.178 -12.022 485 HG3 GLN 72 HG3 GLN 72 -3.521 4.973 -10.862 486 HE21 GLN 72 HE21 GLN 72 -5.291 5.854 -11.598 487 HE22 GLN 72 HE22 GLN 72 -5.461 7.402 -12.355 488 H SER 73 H SER 73 0.339 6.622 -8.599 489 HA SER 73 HA SER 73 2.306 4.835 -9.463 490 HB2 SER 73 HB2 SER 73 2.148 7.556 -8.695 491 HB3 SER 73 HB3 SER 73 3.289 6.841 -7.574 492 HG SER 73 HG SER 73 4.601 6.159 -9.295 493 H VAL 74 H VAL 74 1.762 6.193 -6.123 494 HA VAL 74 HA VAL 74 3.368 4.611 -4.691 495 HB VAL 74 HB VAL 74 0.573 5.577 -4.091 496 HG11 VAL 74 HG11 VAL 74 2.256 3.760 -2.544 497 HG12 VAL 74 HG12 VAL 74 1.871 5.249 -1.649 498 HG13 VAL 74 HG13 VAL 74 0.559 4.236 -2.298 499 HG21 VAL 74 HG21 VAL 74 3.353 6.619 -3.485 500 HG22 VAL 74 HG22 VAL 74 2.066 7.397 -4.437 501 HG23 VAL 74 HG23 VAL 74 1.889 7.224 -2.674 502 H GLY 75 H GLY 75 -0.031 3.743 -5.638 503 HA2 GLY 75 HA2 GLY 75 0.010 1.163 -4.542 504 HA3 GLY 75 HA3 GLY 75 -1.054 1.750 -5.804 505 H ALA 76 H ALA 76 0.941 2.449 -7.790 506 HA ALA 76 HA ALA 76 1.252 -0.036 -9.025 507 HB1 ALA 76 HB1 ALA 76 1.130 1.826 -10.445 508 HB2 ALA 76 HB2 ALA 76 2.299 2.761 -9.483 509 HB3 ALA 76 HB3 ALA 76 2.860 1.411 -10.498 510 H ALA 77 H ALA 77 4.012 2.166 -8.222 511 HA ALA 77 HA ALA 77 5.942 0.241 -8.241 512 HB1 ALA 77 HB1 ALA 77 5.954 2.882 -7.960 513 HB2 ALA 77 HB2 ALA 77 6.088 2.474 -6.232 514 HB3 ALA 77 HB3 ALA 77 7.319 1.897 -7.381 515 H GLY 78 H GLY 78 4.269 1.545 -5.281 516 HA2 GLY 78 HA2 GLY 78 5.287 0.045 -3.323 517 HA3 GLY 78 HA3 GLY 78 3.578 0.422 -3.430 518 H LEU 79 H LEU 79 2.241 -1.082 -4.947 519 HA LEU 79 HA LEU 79 2.350 -3.645 -3.992 520 HB2 LEU 79 HB2 LEU 79 0.555 -2.273 -5.326 521 HB3 LEU 79 HB3 LEU 79 1.258 -3.071 -6.718 522 HG LEU 79 HG LEU 79 0.471 -4.775 -4.392 523 HD11 LEU 79 HD11 LEU 79 -1.848 -4.863 -5.697 524 HD12 LEU 79 HD12 LEU 79 -1.549 -3.731 -4.356 525 HD13 LEU 79 HD13 LEU 79 -1.422 -3.170 -6.041 526 HD21 LEU 79 HD21 LEU 79 -0.042 -5.327 -7.301 527 HD22 LEU 79 HD22 LEU 79 1.594 -5.501 -6.620 528 HD23 LEU 79 HD23 LEU 79 0.248 -6.462 -5.961 529 H SER 80 H SER 80 4.132 -2.139 -6.668 530 HA SER 80 HA SER 80 4.869 -4.471 -7.960 531 HB2 SER 80 HB2 SER 80 5.352 -1.715 -8.234 532 HB3 SER 80 HB3 SER 80 6.948 -2.389 -7.974 533 HG SER 80 HG SER 80 5.951 -4.074 -9.688 534 H VAL 81 H VAL 81 7.158 -2.396 -6.046 535 HA VAL 81 HA VAL 81 9.043 -4.333 -5.631 536 HB VAL 81 HB VAL 81 9.200 -1.870 -5.236 537 HG11 VAL 81 HG11 VAL 81 7.885 -2.543 -2.582 538 HG12 VAL 81 HG12 VAL 81 8.579 -0.970 -3.045 539 HG13 VAL 81 HG13 VAL 81 7.149 -1.599 -3.899 540 HG21 VAL 81 HG21 VAL 81 10.172 -3.258 -2.755 541 HG22 VAL 81 HG22 VAL 81 10.786 -3.769 -4.345 542 HG23 VAL 81 HG23 VAL 81 11.005 -2.087 -3.806 543 H THR 82 H THR 82 5.890 -3.899 -4.105 544 HA THR 82 HA THR 82 6.371 -5.349 -1.751 545 HB THR 82 HB THR 82 3.870 -4.813 -3.435 546 HG1 THR 82 HG1 THR 82 3.757 -3.086 -1.891 547 HG21 THR 82 HG21 THR 82 3.325 -6.669 -1.927 548 HG22 THR 82 HG22 THR 82 4.204 -5.891 -0.588 549 HG23 THR 82 HG23 THR 82 2.694 -5.173 -1.198 550 H SER 83 H SER 83 4.224 -6.621 -4.342 551 HA SER 83 HA SER 83 4.431 -9.192 -3.651 552 HB2 SER 83 HB2 SER 83 3.618 -7.697 -6.005 553 HB3 SER 83 HB3 SER 83 4.400 -9.182 -6.508 554 HG SER 83 HG SER 83 1.896 -8.911 -5.650 555 H LYS 84 H LYS 84 6.604 -7.391 -5.927 556 HA LYS 84 HA LYS 84 8.184 -9.478 -6.739 557 HB2 LYS 84 HB2 LYS 84 8.423 -6.538 -6.560 558 HB3 LYS 84 HB3 LYS 84 9.951 -7.393 -6.609 559 HG2 LYS 84 HG2 LYS 84 9.639 -7.409 -8.873 560 HG3 LYS 84 HG3 LYS 84 8.557 -8.751 -8.559 561 HD2 LYS 84 HD2 LYS 84 6.781 -6.781 -8.131 562 HD3 LYS 84 HD3 LYS 84 7.885 -5.866 -9.138 563 HE2 LYS 84 HE2 LYS 84 7.381 -7.076 -11.041 564 HE3 LYS 84 HE3 LYS 84 7.216 -8.587 -10.169 565 HZ1 LYS 84 HZ1 LYS 84 5.014 -8.168 -9.730 566 HZ2 LYS 84 HZ2 LYS 84 5.181 -6.550 -9.657 567 HZ3 LYS 84 HZ3 LYS 84 5.178 -7.303 -11.110 568 H VAL 85 H VAL 85 8.624 -7.336 -3.842 569 HA VAL 85 HA VAL 85 10.912 -8.602 -2.907 570 HB VAL 85 HB VAL 85 8.739 -6.924 -1.710 571 HG11 VAL 85 HG11 VAL 85 9.091 -8.067 0.240 572 HG12 VAL 85 HG12 VAL 85 10.732 -8.580 -0.223 573 HG13 VAL 85 HG13 VAL 85 10.445 -6.917 0.343 574 HG21 VAL 85 HG21 VAL 85 10.287 -5.220 -1.755 575 HG22 VAL 85 HG22 VAL 85 11.675 -6.323 -1.597 576 HG23 VAL 85 HG23 VAL 85 10.826 -6.178 -3.155 577 H ILE 86 H ILE 86 7.485 -9.500 -2.789 578 HA ILE 86 HA ILE 86 7.917 -11.484 -0.755 579 HB ILE 86 HB ILE 86 5.561 -10.817 -2.519 580 HG12 ILE 86 HG12 ILE 86 5.916 -10.328 0.447 581 HG13 ILE 86 HG13 ILE 86 6.335 -9.138 -0.770 582 HG21 ILE 86 HG21 ILE 86 4.233 -12.306 -1.175 583 HG22 ILE 86 HG22 ILE 86 5.602 -13.214 -1.859 584 HG23 ILE 86 HG23 ILE 86 5.633 -12.707 -0.153 585 HD11 ILE 86 HD11 ILE 86 3.671 -9.986 0.191 586 HD12 ILE 86 HD12 ILE 86 4.161 -8.473 -0.607 587 HD13 ILE 86 HD13 ILE 86 3.792 -9.914 -1.583 588 H GLY 87 H GLY 87 6.452 -11.902 -4.038 589 HA2 GLY 87 HA2 GLY 87 7.937 -13.211 -5.606 590 HA3 GLY 87 HA3 GLY 87 8.061 -14.367 -4.294 591 H GLY 88 H GLY 88 6.076 -13.130 -6.906 592 HA2 GLY 88 HA2 GLY 88 3.540 -13.860 -6.420 593 HA3 GLY 88 HA3 GLY 88 4.335 -14.131 -7.958 594 H PHE 89 H PHE 89 3.066 -15.598 -5.045 595 HA PHE 89 HA PHE 89 2.957 -17.690 -4.313 596 HB2 PHE 89 HB2 PHE 89 2.697 -17.830 -7.357 597 HB3 PHE 89 HB3 PHE 89 2.566 -19.306 -6.422 598 HD1 PHE 89 HD2 PHE 89 0.674 -19.650 -4.899 599 HD2 PHE 89 HD1 PHE 89 0.948 -16.166 -7.306 600 HE1 PHE 89 HE2 PHE 89 -1.754 -19.171 -4.482 601 HE2 PHE 89 HE1 PHE 89 -1.480 -15.686 -6.888 602 HZ PHE 89 HZ PHE 89 -2.802 -17.194 -5.481 603 H ALA 90 H ALA 90 5.059 -17.965 -3.392 604 HA ALA 90 HA ALA 90 6.652 -19.904 -4.848 605 HB1 ALA 90 HB1 ALA 90 8.352 -17.858 -3.617 606 HB2 ALA 90 HB2 ALA 90 8.428 -18.573 -5.246 607 HB3 ALA 90 HB3 ALA 90 7.342 -17.199 -4.926 608 H GLY 91 H GLY 91 6.376 -21.544 -3.381 609 HA2 GLY 91 HA2 GLY 91 6.208 -22.573 -1.362 610 HA3 GLY 91 HA3 GLY 91 7.789 -21.851 -1.135 611 H THR 92 H THR 92 8.071 -20.094 0.285 612 HA THR 92 HA THR 92 5.658 -19.396 1.817 613 HB THR 92 HB THR 92 8.635 -19.445 2.539 614 HG1 THR 92 HG1 THR 92 7.938 -21.512 2.930 615 HG21 THR 92 HG21 THR 92 7.102 -19.393 4.878 616 HG22 THR 92 HG22 THR 92 8.014 -18.011 4.227 617 HG23 THR 92 HG23 THR 92 6.285 -18.194 3.848 618 H ALA 93 H ALA 93 8.840 -17.742 1.435 619 HA ALA 93 HA ALA 93 9.300 -15.605 1.058 620 HB1 ALA 93 HB1 ALA 93 7.844 -16.648 -1.151 621 HB2 ALA 93 HB2 ALA 93 7.278 -14.979 -0.906 622 HB3 ALA 93 HB3 ALA 93 9.011 -15.305 -1.148 623 H LEU 94 H LEU 94 8.435 -15.228 3.313 624 HA LEU 94 HA LEU 94 6.880 -12.936 3.359 625 HB2 LEU 94 HB2 LEU 94 4.975 -14.193 2.754 626 HB3 LEU 94 HB3 LEU 94 5.360 -15.482 3.878 627 HG LEU 94 HG LEU 94 4.962 -12.853 5.155 628 HD11 LEU 94 HD11 LEU 94 3.026 -13.815 3.199 629 HD12 LEU 94 HD12 LEU 94 2.326 -13.647 4.827 630 HD13 LEU 94 HD13 LEU 94 3.121 -12.256 4.052 631 HD21 LEU 94 HD21 LEU 94 3.338 -14.460 6.478 632 HD22 LEU 94 HD22 LEU 94 4.287 -15.722 5.656 633 HD23 LEU 94 HD23 LEU 94 5.102 -14.533 6.700 634 H GLY 95 H GLY 95 7.690 -15.988 5.120 635 HA2 GLY 95 HA2 GLY 95 7.715 -14.964 7.701 636 HA3 GLY 95 HA3 GLY 95 8.655 -16.324 7.120 637 H ALA 96 H ALA 96 10.864 -16.070 6.571 638 HA ALA 96 HA ALA 96 11.936 -13.396 7.161 639 HB1 ALA 96 HB1 ALA 96 13.142 -14.403 8.766 640 HB2 ALA 96 HB2 ALA 96 12.473 -15.990 8.317 641 HB3 ALA 96 HB3 ALA 96 13.939 -15.381 7.511 642 H TRP 97 H TRP 97 11.067 -13.706 4.617 643 HA TRP 97 HA TRP 97 11.687 -13.656 2.492 644 HB2 TRP 97 HB2 TRP 97 13.305 -12.021 3.349 645 HB3 TRP 97 HB3 TRP 97 14.470 -13.302 3.619 646 HD1 TRP 97 HD1 TRP 97 12.630 -11.624 0.621 647 HE1 TRP 97 HE1 TRP 97 14.085 -11.790 -1.575 648 HE3 TRP 97 HE3 TRP 97 16.311 -14.486 2.648 649 HZ2 TRP 97 HZ2 TRP 97 16.557 -13.070 -2.202 650 HZ3 TRP 97 HZ3 TRP 97 18.210 -15.151 1.176 651 HH2 TRP 97 HH2 TRP 97 18.369 -14.489 -1.172 652 H LEU 98 H LEU 98 11.140 -15.695 1.720 653 HA LEU 98 HA LEU 98 13.306 -17.672 1.805 654 HB2 LEU 98 HB2 LEU 98 10.615 -17.863 2.864 655 HB3 LEU 98 HB3 LEU 98 10.900 -19.085 1.641 656 HG LEU 98 HG LEU 98 11.482 -20.137 3.633 657 HD11 LEU 98 HD11 LEU 98 13.683 -20.774 3.339 658 HD12 LEU 98 HD12 LEU 98 13.283 -20.078 1.750 659 HD13 LEU 98 HD13 LEU 98 14.221 -19.128 2.927 660 HD21 LEU 98 HD21 LEU 98 11.679 -17.664 4.728 661 HD22 LEU 98 HD22 LEU 98 12.190 -19.166 5.535 662 HD23 LEU 98 HD23 LEU 98 13.391 -18.150 4.702 663 H GLY 99 H GLY 99 13.582 -16.148 -0.250 664 HA2 GLY 99 HA2 GLY 99 12.710 -17.742 -2.482 665 HA3 GLY 99 HA3 GLY 99 11.951 -16.163 -2.423 666 H SER 100 H SER 100 13.947 -17.287 -4.372 667 HA SER 100 HA SER 100 16.394 -15.992 -3.799 668 HB2 SER 100 HB2 SER 100 17.064 -16.728 -6.027 669 HB3 SER 100 HB3 SER 100 16.210 -18.033 -5.227 670 HG SER 100 HG SER 100 15.481 -16.520 -7.492 671 HA PRO 101 HA PRO 101 15.330 -12.084 -5.406 672 HB2 PRO 101 HB2 PRO 101 17.816 -11.001 -5.745 673 HB3 PRO 101 HB3 PRO 101 16.997 -11.054 -4.196 674 HG2 PRO 101 HG2 PRO 101 19.244 -12.714 -5.162 675 HG3 PRO 101 HG3 PRO 101 18.699 -12.454 -3.517 676 HD2 PRO 101 HD2 PRO 101 18.238 -14.781 -5.129 677 HD3 PRO 101 HD3 PRO 101 17.597 -14.471 -3.528 678 HA PRO 102 HA PRO 102 15.441 -12.212 -9.645 679 HB2 PRO 102 HB2 PRO 102 14.751 -9.654 -10.316 680 HB3 PRO 102 HB3 PRO 102 13.580 -10.870 -9.846 681 HG2 PRO 102 HG2 PRO 102 14.598 -8.577 -8.283 682 HG3 PRO 102 HG3 PRO 102 13.154 -9.533 -8.016 683 HD2 PRO 102 HD2 PRO 102 15.621 -9.706 -6.562 684 HD3 PRO 102 HD3 PRO 102 14.218 -10.739 -6.373 685 H SER 103 H SER 103 17.865 -12.585 -9.144 686 HA SER 103 HA SER 103 19.901 -12.254 -9.814 687 HB2 SER 103 HB2 SER 103 18.443 -11.620 -12.018 688 HB3 SER 103 HB3 SER 103 19.245 -10.081 -11.774 689 HG SER 103 HG SER 103 20.963 -10.950 -12.690 690 H SER 104 H SER 104 20.310 -11.273 -7.673 691 HA SER 104 HA SER 104 20.198 -8.429 -7.512 692 HB2 SER 104 HB2 SER 104 19.697 -9.818 -5.538 693 HB3 SER 104 HB3 SER 104 21.292 -10.540 -5.603 694 HG SER 104 HG SER 104 21.489 -8.926 -4.086 Start of MODEL 5 1 H MET 1 H1 MET 1 0.535 -18.738 0.096 2 HA MET 1 HA MET 1 -1.184 -16.907 0.728 3 HB2 MET 1 HB2 MET 1 1.003 -17.050 -0.984 4 HB3 MET 1 HB3 MET 1 -0.257 -16.566 -2.102 5 HG2 MET 1 HG2 MET 1 -0.831 -14.815 -0.124 6 HG3 MET 1 HG3 MET 1 0.857 -15.071 0.268 7 HE1 MET 1 HE1 MET 1 -1.590 -13.357 -2.505 8 HE2 MET 1 HE2 MET 1 -1.171 -12.808 -0.865 9 HE3 MET 1 HE3 MET 1 -0.499 -11.969 -2.284 10 H GLY 2 H GLY 2 -1.402 -18.632 -2.467 11 HA2 GLY 2 HA2 GLY 2 -3.538 -19.421 -3.207 12 HA3 GLY 2 HA3 GLY 2 -4.292 -18.023 -2.468 13 H LYS 3 H LYS 3 -4.214 -19.073 -5.348 14 HA LYS 3 HA LYS 3 -3.882 -16.498 -6.551 15 HB2 LYS 3 HB2 LYS 3 -1.545 -17.356 -6.529 16 HB3 LYS 3 HB3 LYS 3 -2.061 -18.745 -7.464 17 HG2 LYS 3 HG2 LYS 3 -2.665 -17.381 -9.360 18 HG3 LYS 3 HG3 LYS 3 -2.598 -15.904 -8.418 19 HD2 LYS 3 HD2 LYS 3 -0.486 -15.685 -9.258 20 HD3 LYS 3 HD3 LYS 3 -0.035 -16.872 -8.050 21 HE2 LYS 3 HE2 LYS 3 -0.902 -18.566 -10.000 22 HE3 LYS 3 HE3 LYS 3 -0.413 -17.219 -11.010 23 HZ1 LYS 3 HZ1 LYS 3 1.688 -17.922 -10.733 24 HZ2 LYS 3 HZ2 LYS 3 1.619 -17.574 -9.143 25 HZ3 LYS 3 HZ3 LYS 3 1.188 -19.062 -9.670 26 H GLU 4 H GLU 4 -6.251 -17.307 -6.413 27 HA GLU 4 HA GLU 4 -6.864 -18.269 -9.018 28 HB2 GLU 4 HB2 GLU 4 -8.254 -20.185 -8.274 29 HB3 GLU 4 HB3 GLU 4 -6.564 -20.425 -7.879 30 HG2 GLU 4 HG2 GLU 4 -6.921 -19.871 -5.554 31 HG3 GLU 4 HG3 GLU 4 -8.515 -19.217 -5.876 32 H SER 5 H SER 5 -8.880 -17.491 -9.703 33 HA SER 5 HA SER 5 -10.691 -16.297 -9.689 34 HB2 SER 5 HB2 SER 5 -10.839 -17.628 -7.014 35 HB3 SER 5 HB3 SER 5 -11.906 -16.257 -7.244 36 HG SER 5 HG SER 5 -13.037 -18.079 -7.945 37 H GLY 6 H GLY 6 -11.825 -14.274 -8.574 38 HA2 GLY 6 HA2 GLY 6 -9.960 -12.229 -8.352 39 HA3 GLY 6 HA3 GLY 6 -11.637 -12.155 -7.851 40 H TRP 7 H TRP 7 -8.719 -11.432 -6.703 41 HA TRP 7 HA TRP 7 -8.474 -12.858 -4.307 42 HB2 TRP 7 HB2 TRP 7 -6.657 -11.589 -5.313 43 HB3 TRP 7 HB3 TRP 7 -7.527 -10.088 -5.062 44 HD1 TRP 7 HD1 TRP 7 -5.146 -12.405 -3.301 45 HE1 TRP 7 HE1 TRP 7 -4.616 -11.634 -0.834 46 HE3 TRP 7 HE3 TRP 7 -8.845 -8.925 -3.034 47 HZ2 TRP 7 HZ2 TRP 7 -5.777 -9.699 0.914 48 HZ3 TRP 7 HZ3 TRP 7 -9.078 -7.639 -0.912 49 HH2 TRP 7 HH2 TRP 7 -7.619 -7.980 1.019 50 H ASP 8 H ASP 8 -9.482 -12.617 -2.319 51 HA ASP 8 HA ASP 8 -10.806 -10.215 -1.664 52 HB2 ASP 8 HB2 ASP 8 -12.356 -11.828 -3.229 53 HB3 ASP 8 HB3 ASP 8 -12.707 -12.539 -1.666 54 H SER 9 H SER 9 -10.998 -10.143 0.631 55 HA SER 9 HA SER 9 -10.759 -12.690 2.006 56 HB2 SER 9 HB2 SER 9 -8.987 -10.253 2.319 57 HB3 SER 9 HB3 SER 9 -9.238 -11.331 3.678 58 HG SER 9 HG SER 9 -7.518 -11.642 1.639 59 H GLY 10 H GLY 10 -11.910 -12.784 3.998 60 HA2 GLY 10 HA2 GLY 10 -13.763 -10.550 4.415 61 HA3 GLY 10 HA3 GLY 10 -13.935 -12.194 4.997 62 H ARG 11 H ARG 11 -13.613 -12.475 7.156 63 HA ARG 11 HA ARG 11 -12.848 -10.453 8.796 64 HB2 ARG 11 HB2 ARG 11 -13.798 -13.020 9.132 65 HB3 ARG 11 HB3 ARG 11 -12.162 -13.215 9.730 66 HG2 ARG 11 HG2 ARG 11 -12.895 -12.357 11.702 67 HG3 ARG 11 HG3 ARG 11 -12.971 -10.800 10.901 68 HD2 ARG 11 HD2 ARG 11 -15.232 -10.784 11.094 69 HD3 ARG 11 HD3 ARG 11 -15.343 -12.263 10.162 70 HE ARG 11 HE ARG 11 -15.395 -12.029 13.097 71 HH11 ARG 11 HH22 ARG 11 -14.986 -14.216 10.339 72 HH12 ARG 11 HH21 ARG 11 -15.372 -15.638 11.250 73 HH21 ARG 11 HH12 ARG 11 -15.895 -13.883 14.268 74 HH22 ARG 11 HH11 ARG 11 -15.893 -15.439 13.504 75 H ALA 12 H ALA 12 -10.880 -13.336 7.746 76 HA ALA 12 HA ALA 12 -8.558 -12.887 9.007 77 HB1 ALA 12 HB1 ALA 12 -9.432 -14.140 6.503 78 HB2 ALA 12 HB2 ALA 12 -7.749 -13.567 6.425 79 HB3 ALA 12 HB3 ALA 12 -8.244 -14.702 7.703 80 H ALA 13 H ALA 13 -9.842 -11.099 6.163 81 HA ALA 13 HA ALA 13 -7.692 -9.706 5.337 82 HB1 ALA 13 HB1 ALA 13 -9.224 -8.217 4.404 83 HB2 ALA 13 HB2 ALA 13 -10.255 -9.634 4.716 84 HB3 ALA 13 HB3 ALA 13 -10.284 -8.249 5.833 85 H VAL 14 H VAL 14 -9.889 -8.672 8.049 86 HA VAL 14 HA VAL 14 -8.568 -6.443 8.834 87 HB VAL 14 HB VAL 14 -9.900 -8.575 10.513 88 HG11 VAL 14 HG11 VAL 14 -8.330 -6.509 11.474 89 HG12 VAL 14 HG12 VAL 14 -9.973 -5.825 11.530 90 HG13 VAL 14 HG13 VAL 14 -9.615 -7.352 12.373 91 HG21 VAL 14 HG21 VAL 14 -11.499 -6.258 10.286 92 HG22 VAL 14 HG22 VAL 14 -10.895 -6.608 8.648 93 HG23 VAL 14 HG23 VAL 14 -11.782 -7.857 9.556 94 H ALA 15 H ALA 15 -7.796 -9.868 9.701 95 HA ALA 15 HA ALA 15 -5.757 -9.349 11.484 96 HB1 ALA 15 HB1 ALA 15 -5.618 -11.602 11.471 97 HB2 ALA 15 HB2 ALA 15 -6.957 -11.563 10.298 98 HB3 ALA 15 HB3 ALA 15 -5.274 -11.650 9.725 99 H ALA 16 H ALA 16 -5.676 -9.667 7.879 100 HA ALA 16 HA ALA 16 -2.902 -9.361 7.653 101 HB1 ALA 16 HB1 ALA 16 -3.420 -9.805 5.511 102 HB2 ALA 16 HB2 ALA 16 -5.137 -9.799 5.980 103 HB3 ALA 16 HB3 ALA 16 -4.372 -8.307 5.382 104 H VAL 17 H VAL 17 -5.552 -7.098 8.227 105 HA VAL 17 HA VAL 17 -3.996 -4.810 7.438 106 HB VAL 17 HB VAL 17 -6.651 -5.094 8.860 107 HG11 VAL 17 HG11 VAL 17 -5.827 -2.943 9.420 108 HG12 VAL 17 HG12 VAL 17 -5.191 -2.672 7.779 109 HG13 VAL 17 HG13 VAL 17 -6.948 -2.691 8.061 110 HG21 VAL 17 HG21 VAL 17 -6.294 -4.203 6.007 111 HG22 VAL 17 HG22 VAL 17 -6.310 -5.937 6.409 112 HG23 VAL 17 HG23 VAL 17 -7.716 -4.920 6.803 113 H VAL 18 H VAL 18 -4.421 -6.839 10.252 114 HA VAL 18 HA VAL 18 -3.727 -4.855 12.168 115 HB VAL 18 HB VAL 18 -3.864 -7.868 12.177 116 HG11 VAL 18 HG11 VAL 18 -3.052 -5.985 14.406 117 HG12 VAL 18 HG12 VAL 18 -3.684 -7.622 14.705 118 HG13 VAL 18 HG13 VAL 18 -2.177 -7.404 13.783 119 HG21 VAL 18 HG21 VAL 18 -5.928 -7.649 13.192 120 HG22 VAL 18 HG22 VAL 18 -5.563 -6.031 13.839 121 HG23 VAL 18 HG23 VAL 18 -5.929 -6.236 12.109 122 H GLY 19 H GLY 19 -1.983 -7.246 10.149 123 HA2 GLY 19 HA2 GLY 19 0.543 -6.704 11.468 124 HA3 GLY 19 HA3 GLY 19 0.243 -7.787 10.124 125 H GLY 20 H GLY 20 1.851 -5.016 10.943 126 HA2 GLY 20 HA2 GLY 20 3.106 -4.067 9.054 127 HA3 GLY 20 HA3 GLY 20 1.574 -3.880 8.223 128 H VAL 21 H VAL 21 2.197 -3.320 11.733 129 HA VAL 21 HA VAL 21 0.839 -0.882 11.733 130 HB VAL 21 HB VAL 21 2.817 -2.142 13.636 131 HG11 VAL 21 HG11 VAL 21 1.969 -0.535 15.329 132 HG12 VAL 21 HG12 VAL 21 2.867 0.257 14.012 133 HG13 VAL 21 HG13 VAL 21 1.088 0.322 14.041 134 HG21 VAL 21 HG21 VAL 21 -0.128 -2.278 13.228 135 HG22 VAL 21 HG22 VAL 21 1.008 -3.506 13.836 136 HG23 VAL 21 HG23 VAL 21 0.445 -2.204 14.912 137 H VAL 22 H VAL 22 4.405 -1.478 12.163 138 HA VAL 22 HA VAL 22 5.202 1.127 11.990 139 HB VAL 22 HB VAL 22 6.547 -1.415 11.064 140 HG11 VAL 22 HG11 VAL 22 7.353 1.180 10.440 141 HG12 VAL 22 HG12 VAL 22 8.333 0.749 11.862 142 HG13 VAL 22 HG13 VAL 22 8.364 -0.284 10.413 143 HG21 VAL 22 HG21 VAL 22 5.820 -0.638 13.605 144 HG22 VAL 22 HG22 VAL 22 7.125 -1.781 13.205 145 HG23 VAL 22 HG23 VAL 22 7.502 -0.065 13.495 146 H ALA 23 H ALA 23 4.609 -1.234 9.316 147 HA ALA 23 HA ALA 23 5.481 0.326 7.223 148 HB1 ALA 23 HB1 ALA 23 4.176 -2.127 7.612 149 HB2 ALA 23 HB2 ALA 23 3.062 -1.185 6.593 150 HB3 ALA 23 HB3 ALA 23 4.740 -1.456 6.063 151 H VAL 24 H VAL 24 2.342 0.331 8.988 152 HA VAL 24 HA VAL 24 1.123 2.191 7.236 153 HB VAL 24 HB VAL 24 0.529 1.267 10.049 154 HG11 VAL 24 HG11 VAL 24 -1.591 2.369 9.945 155 HG12 VAL 24 HG12 VAL 24 -0.348 3.583 9.557 156 HG13 VAL 24 HG13 VAL 24 -1.324 2.861 8.255 157 HG21 VAL 24 HG21 VAL 24 0.132 0.102 7.470 158 HG22 VAL 24 HG22 VAL 24 -0.363 -0.520 9.062 159 HG23 VAL 24 HG23 VAL 24 -1.461 0.533 8.138 160 H GLY 25 H GLY 25 3.305 2.394 10.019 161 HA2 GLY 25 HA2 GLY 25 2.782 5.100 10.693 162 HA3 GLY 25 HA3 GLY 25 4.187 4.147 11.127 163 H THR 26 H THR 26 5.576 3.552 8.936 164 HA THR 26 HA THR 26 6.740 5.962 8.157 165 HB THR 26 HB THR 26 6.828 3.182 6.867 166 HG1 THR 26 HG1 THR 26 8.483 4.585 8.844 167 HG21 THR 26 HG21 THR 26 7.945 4.904 5.451 168 HG22 THR 26 HG22 THR 26 8.818 5.513 6.877 169 HG23 THR 26 HG23 THR 26 9.160 3.881 6.255 170 H VAL 27 H VAL 27 4.226 3.941 6.574 171 HA VAL 27 HA VAL 27 4.215 5.273 4.140 172 HB VAL 27 HB VAL 27 2.273 3.643 5.723 173 HG11 VAL 27 HG11 VAL 27 0.719 3.774 3.698 174 HG12 VAL 27 HG12 VAL 27 0.732 5.178 4.792 175 HG13 VAL 27 HG13 VAL 27 1.609 5.248 3.244 176 HG21 VAL 27 HG21 VAL 27 3.990 2.455 4.518 177 HG22 VAL 27 HG22 VAL 27 2.437 2.194 3.689 178 HG23 VAL 27 HG23 VAL 27 3.621 3.342 3.020 179 H LEU 28 H LEU 28 2.118 5.811 7.064 180 HA LEU 28 HA LEU 28 0.753 7.986 6.100 181 HB2 LEU 28 HB2 LEU 28 1.063 6.601 8.539 182 HB3 LEU 28 HB3 LEU 28 1.327 8.294 8.902 183 HG LEU 28 HG LEU 28 -0.957 8.235 7.251 184 HD11 LEU 28 HD11 LEU 28 -1.688 6.437 9.481 185 HD12 LEU 28 HD12 LEU 28 -2.295 6.513 7.810 186 HD13 LEU 28 HD13 LEU 28 -0.755 5.692 8.161 187 HD21 LEU 28 HD21 LEU 28 -0.179 9.560 9.434 188 HD22 LEU 28 HD22 LEU 28 -1.880 9.469 8.919 189 HD23 LEU 28 HD23 LEU 28 -1.281 8.395 10.205 190 H VAL 29 H VAL 29 3.991 7.819 7.674 191 HA VAL 29 HA VAL 29 4.387 10.561 7.902 192 HB VAL 29 HB VAL 29 6.216 8.186 7.620 193 HG11 VAL 29 HG11 VAL 29 6.906 11.099 7.644 194 HG12 VAL 29 HG12 VAL 29 7.933 9.978 8.570 195 HG13 VAL 29 HG13 VAL 29 7.707 9.738 6.821 196 HG21 VAL 29 HG21 VAL 29 5.390 9.972 9.927 197 HG22 VAL 29 HG22 VAL 29 5.041 8.241 9.704 198 HG23 VAL 29 HG23 VAL 29 6.708 8.779 10.022 199 H ALA 30 H ALA 30 4.814 8.286 5.162 200 HA ALA 30 HA ALA 30 6.168 10.146 3.516 201 HB1 ALA 30 HB1 ALA 30 4.596 8.073 2.151 202 HB2 ALA 30 HB2 ALA 30 6.355 8.340 2.173 203 HB3 ALA 30 HB3 ALA 30 5.577 7.427 3.488 204 H LEU 31 H LEU 31 2.740 9.325 4.157 205 HA LEU 31 HA LEU 31 1.739 10.830 1.974 206 HB2 LEU 31 HB2 LEU 31 0.688 9.306 4.259 207 HB3 LEU 31 HB3 LEU 31 -0.315 10.655 3.768 208 HG LEU 31 HG LEU 31 0.075 9.591 1.348 209 HD11 LEU 31 HD11 LEU 31 0.339 7.273 1.281 210 HD12 LEU 31 HD12 LEU 31 1.564 7.810 2.455 211 HD13 LEU 31 HD13 LEU 31 0.041 7.089 3.026 212 HD21 LEU 31 HD21 LEU 31 -2.111 9.965 2.072 213 HD22 LEU 31 HD22 LEU 31 -2.043 8.205 1.813 214 HD23 LEU 31 HD23 LEU 31 -1.945 8.866 3.463 215 H SER 32 H SER 32 2.751 11.542 5.298 216 HA SER 32 HA SER 32 1.417 14.029 5.382 217 HB2 SER 32 HB2 SER 32 3.551 12.681 7.059 218 HB3 SER 32 HB3 SER 32 3.146 14.362 7.345 219 HG SER 32 HG SER 32 1.528 12.025 7.691 220 H ALA 33 H ALA 33 4.951 13.136 5.248 221 HA ALA 33 HA ALA 33 6.013 15.584 4.826 222 HB1 ALA 33 HB1 ALA 33 6.823 12.997 3.438 223 HB2 ALA 33 HB2 ALA 33 7.867 14.405 3.746 224 HB3 ALA 33 HB3 ALA 33 7.249 13.440 5.108 225 H MET 34 H MET 34 3.994 13.683 2.636 226 HA MET 34 HA MET 34 4.667 14.584 0.213 227 HB2 MET 34 HB2 MET 34 2.620 13.132 1.175 228 HB3 MET 34 HB3 MET 34 1.743 14.645 1.050 229 HG2 MET 34 HG2 MET 34 2.247 14.802 -1.357 230 HG3 MET 34 HG3 MET 34 3.291 13.398 -1.271 231 HE1 MET 34 HE1 MET 34 1.234 10.489 -1.690 232 HE2 MET 34 HE2 MET 34 1.828 11.564 -2.979 233 HE3 MET 34 HE3 MET 34 2.807 11.304 -1.515 234 H GLY 35 H GLY 35 2.685 16.348 2.670 235 HA2 GLY 35 HA2 GLY 35 3.124 18.811 1.093 236 HA3 GLY 35 HA3 GLY 35 1.573 18.426 1.811 237 H PHE 36 H PHE 36 3.956 17.135 3.840 238 HA PHE 36 HA PHE 36 4.574 17.661 5.897 239 HB2 PHE 36 HB2 PHE 36 5.577 19.563 3.991 240 HB3 PHE 36 HB3 PHE 36 5.087 20.524 5.372 241 HD1 PHE 36 HD2 PHE 36 7.115 17.525 4.497 242 HD2 PHE 36 HD1 PHE 36 6.528 20.760 7.180 243 HE1 PHE 36 HE2 PHE 36 9.262 16.948 5.662 244 HE2 PHE 36 HE1 PHE 36 8.675 20.183 8.345 245 HZ PHE 36 HZ PHE 36 10.017 18.284 7.572 246 H THR 37 H THR 37 4.439 19.593 7.706 247 HA THR 37 HA THR 37 2.919 20.317 9.211 248 HB THR 37 HB THR 37 1.884 22.461 8.376 249 HG1 THR 37 HG1 THR 37 1.412 22.328 6.219 250 HG21 THR 37 HG21 THR 37 4.282 22.633 8.884 251 HG22 THR 37 HG22 THR 37 4.701 21.849 7.341 252 HG23 THR 37 HG23 THR 37 3.982 23.478 7.346 253 H SER 38 H SER 38 1.659 18.475 9.629 254 HA SER 38 HA SER 38 -0.905 18.568 8.239 255 HB2 SER 38 HB2 SER 38 0.898 16.447 8.253 256 HB3 SER 38 HB3 SER 38 -0.204 16.003 9.541 257 HG SER 38 HG SER 38 -1.947 16.020 8.112 258 H VAL 39 H VAL 39 0.913 18.057 11.292 259 HA VAL 39 HA VAL 39 -0.990 17.341 13.044 260 HB VAL 39 HB VAL 39 0.274 19.089 14.572 261 HG11 VAL 39 HG11 VAL 39 1.860 16.796 13.393 262 HG12 VAL 39 HG12 VAL 39 1.877 17.420 15.060 263 HG13 VAL 39 HG13 VAL 39 0.454 16.539 14.454 264 HG21 VAL 39 HG21 VAL 39 1.297 19.825 12.092 265 HG22 VAL 39 HG22 VAL 39 1.976 20.242 13.684 266 HG23 VAL 39 HG23 VAL 39 2.584 18.820 12.801 267 H GLY 40 H GLY 40 -0.172 20.859 12.788 268 HA2 GLY 40 HA2 GLY 40 -2.276 21.985 13.951 269 HA3 GLY 40 HA3 GLY 40 -1.555 22.646 12.496 270 H ILE 41 H ILE 41 -2.310 21.360 10.363 271 HA ILE 41 HA ILE 41 -4.860 21.987 9.832 272 HB ILE 41 HB ILE 41 -3.063 19.844 8.750 273 HG12 ILE 41 HG12 ILE 41 -3.980 21.934 6.947 274 HG13 ILE 41 HG13 ILE 41 -3.259 22.617 8.391 275 HG21 ILE 41 HG21 ILE 41 -5.960 20.131 8.292 276 HG22 ILE 41 HG22 ILE 41 -4.968 20.077 6.815 277 HG23 ILE 41 HG23 ILE 41 -4.873 18.752 7.999 278 HD11 ILE 41 HD11 ILE 41 -1.863 20.316 7.009 279 HD12 ILE 41 HD12 ILE 41 -1.726 21.959 6.337 280 HD13 ILE 41 HD13 ILE 41 -1.168 21.626 7.994 281 H ALA 42 H ALA 42 -3.720 18.781 11.085 282 HA ALA 42 HA ALA 42 -6.157 17.518 11.149 283 HB1 ALA 42 HB1 ALA 42 -3.635 16.841 11.774 284 HB2 ALA 42 HB2 ALA 42 -4.252 17.107 13.422 285 HB3 ALA 42 HB3 ALA 42 -5.037 15.914 12.360 286 H ALA 43 H ALA 43 -4.603 19.594 13.687 287 HA ALA 43 HA ALA 43 -6.609 19.365 15.576 288 HB1 ALA 43 HB1 ALA 43 -5.027 21.900 15.079 289 HB2 ALA 43 HB2 ALA 43 -5.545 21.193 16.628 290 HB3 ALA 43 HB3 ALA 43 -4.245 20.422 15.688 291 H SER 44 H SER 44 -6.410 21.260 12.570 292 HA SER 44 HA SER 44 -8.516 22.991 13.227 293 HB2 SER 44 HB2 SER 44 -6.643 23.072 11.332 294 HB3 SER 44 HB3 SER 44 -7.857 22.247 10.375 295 HG SER 44 HG SER 44 -8.002 24.857 11.591 296 H SER 45 H SER 45 -8.397 20.347 10.719 297 HA SER 45 HA SER 45 -11.045 20.209 10.247 298 HB2 SER 45 HB2 SER 45 -8.748 18.683 9.619 299 HB3 SER 45 HB3 SER 45 -9.870 17.525 10.305 300 HG SER 45 HG SER 45 -10.527 17.546 8.220 301 H ILE 46 H ILE 46 -9.188 18.132 12.599 302 HA ILE 46 HA ILE 46 -11.294 16.749 13.645 303 HB ILE 46 HB ILE 46 -8.765 17.741 14.956 304 HG12 ILE 46 HG12 ILE 46 -9.339 14.954 13.956 305 HG13 ILE 46 HG13 ILE 46 -8.741 16.196 12.874 306 HG21 ILE 46 HG21 ILE 46 -9.933 15.320 16.081 307 HG22 ILE 46 HG22 ILE 46 -9.309 16.778 16.888 308 HG23 ILE 46 HG23 ILE 46 -10.984 16.743 16.287 309 HD11 ILE 46 HD11 ILE 46 -7.388 15.418 15.498 310 HD12 ILE 46 HD12 ILE 46 -6.905 14.818 13.893 311 HD13 ILE 46 HD13 ILE 46 -6.758 16.550 14.277 312 H ALA 47 H ALA 47 -9.953 19.910 14.831 313 HA ALA 47 HA ALA 47 -11.673 20.336 16.895 314 HB1 ALA 47 HB1 ALA 47 -11.336 22.822 16.213 315 HB2 ALA 47 HB2 ALA 47 -9.894 21.853 16.598 316 HB3 ALA 47 HB3 ALA 47 -10.325 22.171 14.901 317 H ALA 48 H ALA 48 -12.186 21.076 13.386 318 HA ALA 48 HA ALA 48 -14.687 22.252 13.684 319 HB1 ALA 48 HB1 ALA 48 -12.963 21.221 11.556 320 HB2 ALA 48 HB2 ALA 48 -14.688 20.955 11.205 321 HB3 ALA 48 HB3 ALA 48 -14.090 22.598 11.538 322 H LYS 49 H LYS 49 -14.027 18.903 12.424 323 HA LYS 49 HA LYS 49 -16.149 17.900 14.120 324 HB2 LYS 49 HB2 LYS 49 -17.086 18.783 11.847 325 HB3 LYS 49 HB3 LYS 49 -16.358 17.341 11.169 326 HG2 LYS 49 HG2 LYS 49 -18.238 16.232 11.800 327 HG3 LYS 49 HG3 LYS 49 -17.657 16.362 13.448 328 HD2 LYS 49 HD2 LYS 49 -18.785 18.721 13.462 329 HD3 LYS 49 HD3 LYS 49 -19.607 18.198 12.006 330 HE2 LYS 49 HE2 LYS 49 -20.921 16.647 13.126 331 HE3 LYS 49 HE3 LYS 49 -19.675 16.269 14.298 332 HZ1 LYS 49 HZ1 LYS 49 -20.361 18.917 14.750 333 HZ2 LYS 49 HZ2 LYS 49 -21.782 18.150 14.540 334 HZ3 LYS 49 HZ3 LYS 49 -20.719 17.603 15.657 335 H MET 50 H MET 50 -15.687 15.858 14.833 336 HA MET 50 HA MET 50 -13.163 14.816 14.051 337 HB2 MET 50 HB2 MET 50 -15.274 14.299 16.121 338 HB3 MET 50 HB3 MET 50 -14.335 12.890 15.670 339 HG2 MET 50 HG2 MET 50 -12.450 13.661 16.721 340 HG3 MET 50 HG3 MET 50 -12.644 15.282 16.083 341 HE1 MET 50 HE1 MET 50 -14.131 13.503 19.968 342 HE2 MET 50 HE2 MET 50 -13.454 12.686 18.538 343 HE3 MET 50 HE3 MET 50 -12.407 13.693 19.566 344 H MET 51 H MET 51 -16.590 13.598 13.950 345 HA MET 51 HA MET 51 -15.730 11.923 11.722 346 HB2 MET 51 HB2 MET 51 -16.523 11.003 14.237 347 HB3 MET 51 HB3 MET 51 -18.041 10.965 13.361 348 HG2 MET 51 HG2 MET 51 -17.208 9.430 11.729 349 HG3 MET 51 HG3 MET 51 -15.535 9.778 12.119 350 HE1 MET 51 HE1 MET 51 -16.651 7.190 11.633 351 HE2 MET 51 HE2 MET 51 -15.206 6.714 12.557 352 HE3 MET 51 HE3 MET 51 -16.802 6.064 13.004 353 H SER 52 H SER 52 -17.622 11.245 10.275 354 HA SER 52 HA SER 52 -19.370 11.697 9.066 355 HB2 SER 52 HB2 SER 52 -20.442 11.974 11.473 356 HB3 SER 52 HB3 SER 52 -20.481 13.678 11.065 357 HG SER 52 HG SER 52 -21.970 11.521 9.988 358 H THR 53 H THR 53 -18.470 12.793 7.320 359 HA THR 53 HA THR 53 -19.010 15.522 7.001 360 HB THR 53 HB THR 53 -17.160 15.802 8.648 361 HG1 THR 53 HG1 THR 53 -17.241 17.356 6.947 362 HG21 THR 53 HG21 THR 53 -15.110 14.872 6.689 363 HG22 THR 53 HG22 THR 53 -15.104 14.765 8.465 364 HG23 THR 53 HG23 THR 53 -16.000 13.564 7.504 365 H ALA 54 H ALA 54 -18.740 16.192 4.861 366 HA ALA 54 HA ALA 54 -17.140 14.790 3.029 367 HB1 ALA 54 HB1 ALA 54 -20.027 13.941 3.316 368 HB2 ALA 54 HB2 ALA 54 -19.218 13.874 1.732 369 HB3 ALA 54 HB3 ALA 54 -18.574 12.935 3.100 370 H ALA 55 H ALA 55 -16.593 17.010 2.620 371 HA ALA 55 HA ALA 55 -18.110 18.172 0.565 372 HB1 ALA 55 HB1 ALA 55 -18.163 20.169 2.700 373 HB2 ALA 55 HB2 ALA 55 -19.466 19.635 1.611 374 HB3 ALA 55 HB3 ALA 55 -19.136 18.736 3.111 375 H ILE 56 H ILE 56 -15.455 17.285 0.888 376 HA ILE 56 HA ILE 56 -13.944 19.762 1.259 377 HB ILE 56 HB ILE 56 -11.980 18.255 1.283 378 HG12 ILE 56 HG12 ILE 56 -13.327 15.783 1.846 379 HG13 ILE 56 HG13 ILE 56 -13.846 16.357 0.274 380 HG21 ILE 56 HG21 ILE 56 -12.929 17.008 3.487 381 HG22 ILE 56 HG22 ILE 56 -12.452 18.722 3.436 382 HG23 ILE 56 HG23 ILE 56 -14.166 18.270 3.277 383 HD11 ILE 56 HD11 ILE 56 -11.241 16.846 -0.064 384 HD12 ILE 56 HD12 ILE 56 -11.079 15.613 1.209 385 HD13 ILE 56 HD13 ILE 56 -11.903 15.213 -0.318 386 H ALA 57 H ALA 57 -15.216 20.344 -0.859 387 HA ALA 57 HA ALA 57 -15.075 20.834 -3.011 388 HB1 ALA 57 HB1 ALA 57 -12.985 21.280 -3.815 389 HB2 ALA 57 HB2 ALA 57 -12.498 20.899 -2.146 390 HB3 ALA 57 HB3 ALA 57 -12.370 19.658 -3.416 391 H ASN 58 H ASN 58 -15.547 19.875 -5.051 392 HA ASN 58 HA ASN 58 -15.893 17.017 -4.821 393 HB2 ASN 58 HB2 ASN 58 -17.815 18.524 -5.517 394 HB3 ASN 58 HB3 ASN 58 -16.915 18.968 -6.953 395 HD21 ASN 58 HD21 ASN 58 -18.472 16.348 -5.213 396 HD22 ASN 58 HD22 ASN 58 -18.722 15.281 -6.554 397 H GLY 59 H GLY 59 -14.494 15.637 -5.934 398 HA2 GLY 59 HA2 GLY 59 -13.039 16.746 -8.257 399 HA3 GLY 59 HA3 GLY 59 -12.223 15.840 -6.997 400 H GLY 60 H GLY 60 -11.693 14.535 -9.092 401 HA2 GLY 60 HA2 GLY 60 -13.875 12.634 -9.682 402 HA3 GLY 60 HA3 GLY 60 -12.527 13.013 -10.736 403 H GLY 61 H GLY 61 -13.705 10.595 -8.868 404 HA2 GLY 61 HA2 GLY 61 -11.671 8.874 -8.920 405 HA3 GLY 61 HA3 GLY 61 -11.247 9.831 -7.514 406 H VAL 62 H VAL 62 -11.641 8.329 -5.875 407 HA VAL 62 HA VAL 62 -14.243 7.021 -5.860 408 HB VAL 62 HB VAL 62 -11.744 6.678 -4.192 409 HG11 VAL 62 HG11 VAL 62 -13.054 4.485 -3.563 410 HG12 VAL 62 HG12 VAL 62 -13.367 6.004 -2.690 411 HG13 VAL 62 HG13 VAL 62 -14.484 5.466 -3.967 412 HG21 VAL 62 HG21 VAL 62 -11.138 4.961 -5.553 413 HG22 VAL 62 HG22 VAL 62 -12.820 4.494 -5.901 414 HG23 VAL 62 HG23 VAL 62 -12.089 5.880 -6.745 415 H ALA 63 H ALA 63 -12.283 8.197 -3.074 416 HA ALA 63 HA ALA 63 -14.286 10.199 -2.476 417 HB1 ALA 63 HB1 ALA 63 -13.785 8.488 -0.142 418 HB2 ALA 63 HB2 ALA 63 -15.320 9.118 -0.785 419 HB3 ALA 63 HB3 ALA 63 -14.617 7.628 -1.460 420 H ALA 64 H ALA 64 -11.923 10.982 -3.274 421 HA ALA 64 HA ALA 64 -10.745 12.096 -0.950 422 HB1 ALA 64 HB1 ALA 64 -8.954 10.219 -2.525 423 HB2 ALA 64 HB2 ALA 64 -8.609 11.042 -0.985 424 HB3 ALA 64 HB3 ALA 64 -9.793 9.714 -1.039 425 H GLY 65 H GLY 65 -9.468 11.098 -4.203 426 HA2 GLY 65 HA2 GLY 65 -9.867 12.833 -5.976 427 HA3 GLY 65 HA3 GLY 65 -9.197 13.975 -4.829 428 H SER 66 H SER 66 -7.041 14.404 -5.008 429 HA SER 66 HA SER 66 -5.477 13.265 -6.903 430 HB2 SER 66 HB2 SER 66 -5.090 15.024 -4.568 431 HB3 SER 66 HB3 SER 66 -3.657 14.084 -4.936 432 HG SER 66 HG SER 66 -3.567 16.006 -6.151 433 H LEU 67 H LEU 67 -6.019 12.281 -3.500 434 HA LEU 67 HA LEU 67 -3.919 10.577 -3.113 435 HB2 LEU 67 HB2 LEU 67 -6.363 11.204 -1.876 436 HB3 LEU 67 HB3 LEU 67 -6.370 9.463 -2.073 437 HG LEU 67 HG LEU 67 -3.807 10.061 -1.093 438 HD11 LEU 67 HD11 LEU 67 -5.918 11.662 0.377 439 HD12 LEU 67 HD12 LEU 67 -4.281 11.314 0.984 440 HD13 LEU 67 HD13 LEU 67 -4.496 12.298 -0.484 441 HD21 LEU 67 HD21 LEU 67 -5.239 9.184 1.095 442 HD22 LEU 67 HD22 LEU 67 -6.206 8.598 -0.279 443 HD23 LEU 67 HD23 LEU 67 -4.486 8.157 -0.149 444 H VAL 68 H VAL 68 -6.899 10.111 -5.044 445 HA VAL 68 HA VAL 68 -6.814 7.407 -5.426 446 HB VAL 68 HB VAL 68 -7.539 9.640 -7.329 447 HG11 VAL 68 HG11 VAL 68 -8.796 8.013 -8.619 448 HG12 VAL 68 HG12 VAL 68 -7.090 7.513 -8.534 449 HG13 VAL 68 HG13 VAL 68 -8.305 6.708 -7.513 450 HG21 VAL 68 HG21 VAL 68 -9.740 8.102 -6.241 451 HG22 VAL 68 HG22 VAL 68 -8.733 8.772 -4.935 452 HG23 VAL 68 HG23 VAL 68 -9.431 9.853 -6.164 453 H ALA 69 H ALA 69 -4.981 9.991 -7.176 454 HA ALA 69 HA ALA 69 -3.741 8.297 -9.003 455 HB1 ALA 69 HB1 ALA 69 -2.215 10.168 -9.336 456 HB2 ALA 69 HB2 ALA 69 -3.864 10.794 -9.103 457 HB3 ALA 69 HB3 ALA 69 -2.685 10.873 -7.772 458 H ILE 70 H ILE 70 -2.995 9.154 -5.604 459 HA ILE 70 HA ILE 70 -0.415 8.033 -5.593 460 HB ILE 70 HB ILE 70 -2.383 8.554 -3.363 461 HG12 ILE 70 HG12 ILE 70 -1.838 10.575 -4.587 462 HG13 ILE 70 HG13 ILE 70 -1.083 10.604 -3.006 463 HG21 ILE 70 HG21 ILE 70 0.393 7.480 -3.375 464 HG22 ILE 70 HG22 ILE 70 -0.020 8.684 -2.131 465 HG23 ILE 70 HG23 ILE 70 -0.957 7.177 -2.256 466 HD11 ILE 70 HD11 ILE 70 1.052 9.735 -4.079 467 HD12 ILE 70 HD12 ILE 70 0.263 9.942 -5.661 468 HD13 ILE 70 HD13 ILE 70 0.562 11.357 -4.624 469 H LEU 71 H LEU 71 -3.650 6.751 -4.566 470 HA LEU 71 HA LEU 71 -2.744 4.257 -3.778 471 HB2 LEU 71 HB2 LEU 71 -5.342 5.432 -4.631 472 HB3 LEU 71 HB3 LEU 71 -5.223 3.685 -4.575 473 HG LEU 71 HG LEU 71 -4.209 5.069 -2.166 474 HD11 LEU 71 HD11 LEU 71 -6.301 5.732 -1.270 475 HD12 LEU 71 HD12 LEU 71 -6.186 6.468 -2.887 476 HD13 LEU 71 HD13 LEU 71 -7.196 5.024 -2.635 477 HD21 LEU 71 HD21 LEU 71 -5.686 2.580 -2.878 478 HD22 LEU 71 HD22 LEU 71 -4.282 2.823 -1.811 479 HD23 LEU 71 HD23 LEU 71 -5.915 3.247 -1.244 480 H GLN 72 H GLN 72 -3.588 5.560 -7.013 481 HA GLN 72 HA GLN 72 -3.618 3.150 -8.344 482 HB2 GLN 72 HB2 GLN 72 -2.859 5.948 -9.281 483 HB3 GLN 72 HB3 GLN 72 -3.045 4.593 -10.377 484 HG2 GLN 72 HG2 GLN 72 -5.347 4.720 -8.595 485 HG3 GLN 72 HG3 GLN 72 -5.097 6.288 -9.338 486 HE21 GLN 72 HE21 GLN 72 -7.332 4.994 -9.947 487 HE22 GLN 72 HE22 GLN 72 -7.318 4.360 -11.559 488 H SER 73 H SER 73 -0.921 5.592 -8.490 489 HA SER 73 HA SER 73 0.896 3.817 -9.534 490 HB2 SER 73 HB2 SER 73 1.362 6.154 -9.691 491 HB3 SER 73 HB3 SER 73 1.182 6.399 -7.965 492 HG SER 73 HG SER 73 3.447 5.902 -9.317 493 H VAL 74 H VAL 74 0.972 5.176 -6.152 494 HA VAL 74 HA VAL 74 2.796 3.555 -5.049 495 HB VAL 74 HB VAL 74 1.157 5.440 -4.141 496 HG11 VAL 74 HG11 VAL 74 -0.735 3.680 -4.129 497 HG12 VAL 74 HG12 VAL 74 0.061 3.040 -2.671 498 HG13 VAL 74 HG13 VAL 74 -0.540 4.715 -2.694 499 HG21 VAL 74 HG21 VAL 74 1.867 4.571 -1.757 500 HG22 VAL 74 HG22 VAL 74 2.798 3.381 -2.698 501 HG23 VAL 74 HG23 VAL 74 3.093 5.122 -2.924 502 H GLY 75 H GLY 75 -0.585 2.723 -5.887 503 HA2 GLY 75 HA2 GLY 75 -0.786 0.296 -4.526 504 HA3 GLY 75 HA3 GLY 75 -1.655 0.751 -5.978 505 H ALA 76 H ALA 76 -0.131 0.765 -8.077 506 HA ALA 76 HA ALA 76 0.658 -1.891 -8.460 507 HB1 ALA 76 HB1 ALA 76 1.542 0.470 -10.143 508 HB2 ALA 76 HB2 ALA 76 1.169 -1.190 -10.664 509 HB3 ALA 76 HB3 ALA 76 -0.142 -0.104 -10.145 510 H ALA 77 H ALA 77 2.730 1.101 -8.557 511 HA ALA 77 HA ALA 77 5.157 -0.036 -8.609 512 HB1 ALA 77 HB1 ALA 77 4.015 2.445 -7.385 513 HB2 ALA 77 HB2 ALA 77 5.684 2.010 -6.944 514 HB3 ALA 77 HB3 ALA 77 5.252 2.260 -8.652 515 H GLY 78 H GLY 78 3.468 0.841 -5.504 516 HA2 GLY 78 HA2 GLY 78 5.158 -0.246 -3.697 517 HA3 GLY 78 HA3 GLY 78 3.414 -0.251 -3.526 518 H LEU 79 H LEU 79 2.219 -2.084 -4.775 519 HA LEU 79 HA LEU 79 2.916 -4.499 -3.790 520 HB2 LEU 79 HB2 LEU 79 1.086 -3.454 -5.760 521 HB3 LEU 79 HB3 LEU 79 1.687 -5.021 -6.265 522 HG LEU 79 HG LEU 79 1.072 -5.483 -3.622 523 HD11 LEU 79 HD11 LEU 79 -0.130 -3.704 -2.933 524 HD12 LEU 79 HD12 LEU 79 -0.563 -3.210 -4.587 525 HD13 LEU 79 HD13 LEU 79 -1.449 -4.533 -3.792 526 HD21 LEU 79 HD21 LEU 79 0.465 -6.597 -5.981 527 HD22 LEU 79 HD22 LEU 79 -0.353 -7.032 -4.461 528 HD23 LEU 79 HD23 LEU 79 -1.120 -5.888 -5.589 529 H SER 80 H SER 80 4.247 -2.841 -6.634 530 HA SER 80 HA SER 80 5.394 -5.067 -7.819 531 HB2 SER 80 HB2 SER 80 5.207 -2.362 -8.389 532 HB3 SER 80 HB3 SER 80 6.916 -2.527 -8.041 533 HG SER 80 HG SER 80 7.214 -3.630 -9.863 534 H VAL 81 H VAL 81 7.219 -2.414 -6.124 535 HA VAL 81 HA VAL 81 9.530 -3.809 -5.730 536 HB VAL 81 HB VAL 81 9.919 -2.212 -3.866 537 HG11 VAL 81 HG11 VAL 81 9.320 -0.118 -5.417 538 HG12 VAL 81 HG12 VAL 81 10.627 -1.258 -5.819 539 HG13 VAL 81 HG13 VAL 81 9.037 -1.413 -6.605 540 HG21 VAL 81 HG21 VAL 81 8.289 -0.624 -3.184 541 HG22 VAL 81 HG22 VAL 81 7.167 -1.106 -4.479 542 HG23 VAL 81 HG23 VAL 81 7.486 -2.212 -3.122 543 H THR 82 H THR 82 6.423 -4.124 -4.081 544 HA THR 82 HA THR 82 7.373 -5.380 -1.741 545 HB THR 82 HB THR 82 4.706 -5.375 -3.242 546 HG1 THR 82 HG1 THR 82 4.434 -3.607 -1.876 547 HG21 THR 82 HG21 THR 82 3.875 -5.926 -0.817 548 HG22 THR 82 HG22 THR 82 4.484 -7.278 -1.803 549 HG23 THR 82 HG23 THR 82 5.521 -6.551 -0.551 550 H SER 83 H SER 83 5.354 -7.116 -4.158 551 HA SER 83 HA SER 83 6.198 -9.571 -3.488 552 HB2 SER 83 HB2 SER 83 4.518 -8.534 -5.389 553 HB3 SER 83 HB3 SER 83 5.797 -9.149 -6.417 554 HG SER 83 HG SER 83 4.089 -10.582 -4.605 555 H LYS 84 H LYS 84 7.718 -7.272 -5.815 556 HA LYS 84 HA LYS 84 9.575 -8.920 -6.962 557 HB2 LYS 84 HB2 LYS 84 9.001 -6.456 -7.420 558 HB3 LYS 84 HB3 LYS 84 10.157 -6.065 -6.162 559 HG2 LYS 84 HG2 LYS 84 11.686 -7.801 -7.578 560 HG3 LYS 84 HG3 LYS 84 10.633 -7.274 -8.875 561 HD2 LYS 84 HD2 LYS 84 11.369 -5.041 -8.763 562 HD3 LYS 84 HD3 LYS 84 11.848 -5.169 -7.083 563 HE2 LYS 84 HE2 LYS 84 13.302 -6.885 -9.096 564 HE3 LYS 84 HE3 LYS 84 13.664 -5.171 -9.069 565 HZ1 LYS 84 HZ1 LYS 84 14.747 -5.397 -7.112 566 HZ2 LYS 84 HZ2 LYS 84 13.607 -6.345 -6.438 567 HZ3 LYS 84 HZ3 LYS 84 14.722 -6.999 -7.442 568 H VAL 85 H VAL 85 9.983 -6.940 -3.940 569 HA VAL 85 HA VAL 85 12.507 -7.992 -3.348 570 HB VAL 85 HB VAL 85 11.424 -5.884 -2.499 571 HG11 VAL 85 HG11 VAL 85 10.295 -6.614 -0.109 572 HG12 VAL 85 HG12 VAL 85 9.389 -6.171 -1.575 573 HG13 VAL 85 HG13 VAL 85 9.691 -7.884 -1.200 574 HG21 VAL 85 HG21 VAL 85 12.913 -7.850 -0.790 575 HG22 VAL 85 HG22 VAL 85 13.448 -6.296 -1.475 576 HG23 VAL 85 HG23 VAL 85 12.356 -6.321 -0.069 577 H ILE 86 H ILE 86 9.235 -9.238 -2.978 578 HA ILE 86 HA ILE 86 9.920 -11.121 -0.946 579 HB ILE 86 HB ILE 86 7.540 -10.861 -2.785 580 HG12 ILE 86 HG12 ILE 86 7.700 -10.236 0.168 581 HG13 ILE 86 HG13 ILE 86 8.047 -9.035 -1.060 582 HG21 ILE 86 HG21 ILE 86 6.479 -12.363 -0.976 583 HG22 ILE 86 HG22 ILE 86 7.504 -13.118 -2.219 584 HG23 ILE 86 HG23 ILE 86 8.154 -12.825 -0.588 585 HD11 ILE 86 HD11 ILE 86 5.505 -9.730 -0.068 586 HD12 ILE 86 HD12 ILE 86 5.843 -8.721 -1.494 587 HD13 ILE 86 HD13 ILE 86 5.570 -10.469 -1.686 588 H GLY 87 H GLY 87 8.756 -11.701 -4.337 589 HA2 GLY 87 HA2 GLY 87 9.889 -12.936 -5.950 590 HA3 GLY 87 HA3 GLY 87 10.961 -13.588 -4.727 591 H GLY 88 H GLY 88 7.397 -13.509 -5.472 592 HA2 GLY 88 HA2 GLY 88 5.803 -15.075 -5.060 593 HA3 GLY 88 HA3 GLY 88 6.888 -16.074 -6.008 594 H PHE 89 H PHE 89 6.378 -14.889 -2.614 595 HA PHE 89 HA PHE 89 6.951 -17.597 -1.711 596 HB2 PHE 89 HB2 PHE 89 8.530 -15.096 -1.322 597 HB3 PHE 89 HB3 PHE 89 8.106 -15.851 0.201 598 HD1 PHE 89 HD2 PHE 89 8.466 -18.557 0.099 599 HD2 PHE 89 HD1 PHE 89 10.583 -15.666 -2.175 600 HE1 PHE 89 HE2 PHE 89 10.375 -20.165 -0.168 601 HE2 PHE 89 HE1 PHE 89 12.492 -17.275 -2.443 602 HZ PHE 89 HZ PHE 89 12.365 -19.505 -1.436 603 H ALA 90 H ALA 90 5.838 -18.188 0.193 604 HA ALA 90 HA ALA 90 4.593 -16.304 1.869 605 HB1 ALA 90 HB1 ALA 90 2.248 -16.701 1.233 606 HB2 ALA 90 HB2 ALA 90 3.150 -15.973 -0.118 607 HB3 ALA 90 HB3 ALA 90 2.779 -17.714 -0.132 608 H GLY 91 H GLY 91 5.535 -17.594 3.489 609 HA2 GLY 91 HA2 GLY 91 4.112 -19.534 4.700 610 HA3 GLY 91 HA3 GLY 91 5.043 -20.444 3.526 611 H THR 92 H THR 92 7.298 -20.717 3.782 612 HA THR 92 HA THR 92 8.261 -20.054 6.444 613 HB THR 92 HB THR 92 9.602 -21.674 4.224 614 HG1 THR 92 HG1 THR 92 8.321 -23.401 5.105 615 HG21 THR 92 HG21 THR 92 10.925 -22.580 5.914 616 HG22 THR 92 HG22 THR 92 10.633 -20.989 6.656 617 HG23 THR 92 HG23 THR 92 9.652 -22.392 7.144 618 H ALA 93 H ALA 93 8.200 -17.682 5.904 619 HA ALA 93 HA ALA 93 10.749 -16.723 5.614 620 HB1 ALA 93 HB1 ALA 93 9.662 -15.759 3.113 621 HB2 ALA 93 HB2 ALA 93 11.199 -16.604 3.417 622 HB3 ALA 93 HB3 ALA 93 9.717 -17.538 3.097 623 H LEU 94 H LEU 94 10.692 -14.718 6.532 624 HA LEU 94 HA LEU 94 8.765 -12.794 5.916 625 HB2 LEU 94 HB2 LEU 94 7.566 -14.670 7.396 626 HB3 LEU 94 HB3 LEU 94 8.267 -13.725 8.695 627 HG LEU 94 HG LEU 94 5.913 -13.130 8.114 628 HD11 LEU 94 HD11 LEU 94 8.089 -11.447 8.723 629 HD12 LEU 94 HD12 LEU 94 7.095 -10.569 7.536 630 HD13 LEU 94 HD13 LEU 94 6.361 -11.167 9.043 631 HD21 LEU 94 HD21 LEU 94 6.636 -11.502 5.790 632 HD22 LEU 94 HD22 LEU 94 6.767 -13.253 5.498 633 HD23 LEU 94 HD23 LEU 94 5.230 -12.559 6.066 634 H GLY 95 H GLY 95 10.545 -11.432 5.758 635 HA2 GLY 95 HA2 GLY 95 11.378 -9.757 7.518 636 HA3 GLY 95 HA3 GLY 95 12.218 -11.152 8.167 637 H ALA 96 H ALA 96 14.111 -11.913 7.186 638 HA ALA 96 HA ALA 96 14.790 -11.220 4.522 639 HB1 ALA 96 HB1 ALA 96 16.576 -9.664 4.944 640 HB2 ALA 96 HB2 ALA 96 15.125 -9.028 5.757 641 HB3 ALA 96 HB3 ALA 96 16.393 -9.840 6.706 642 H TRP 97 H TRP 97 14.687 -13.671 5.049 643 HA TRP 97 HA TRP 97 17.163 -14.545 6.342 644 HB2 TRP 97 HB2 TRP 97 14.853 -16.275 5.473 645 HB3 TRP 97 HB3 TRP 97 16.156 -16.676 6.574 646 HD1 TRP 97 HD1 TRP 97 12.933 -14.524 6.476 647 HE1 TRP 97 HE1 TRP 97 12.051 -14.035 8.915 648 HE3 TRP 97 HE3 TRP 97 16.914 -16.566 8.891 649 HZ2 TRP 97 HZ2 TRP 97 13.095 -14.546 11.522 650 HZ3 TRP 97 HZ3 TRP 97 16.904 -16.530 11.383 651 HH2 TRP 97 HH2 TRP 97 15.081 -15.565 12.694 652 H LEU 98 H LEU 98 15.493 -14.106 3.279 653 HA LEU 98 HA LEU 98 17.853 -15.045 1.903 654 HB2 LEU 98 HB2 LEU 98 16.347 -16.379 0.322 655 HB3 LEU 98 HB3 LEU 98 16.844 -17.103 1.839 656 HG LEU 98 HG LEU 98 14.488 -16.010 2.611 657 HD11 LEU 98 HD11 LEU 98 14.434 -15.761 -0.209 658 HD12 LEU 98 HD12 LEU 98 13.306 -17.068 0.225 659 HD13 LEU 98 HD13 LEU 98 13.123 -15.455 0.956 660 HD21 LEU 98 HD21 LEU 98 15.266 -18.696 1.559 661 HD22 LEU 98 HD22 LEU 98 14.767 -18.201 3.195 662 HD23 LEU 98 HD23 LEU 98 13.549 -18.381 1.909 663 H GLY 99 H GLY 99 17.849 -14.340 -0.398 664 HA2 GLY 99 HA2 GLY 99 15.830 -12.694 -1.457 665 HA3 GLY 99 HA3 GLY 99 17.009 -11.681 -0.648 666 H SER 100 H SER 100 16.377 -13.829 -3.379 667 HA SER 100 HA SER 100 18.920 -12.955 -4.487 668 HB2 SER 100 HB2 SER 100 17.740 -15.759 -4.717 669 HB3 SER 100 HB3 SER 100 19.151 -15.198 -5.592 670 HG SER 100 HG SER 100 19.137 -14.901 -2.751 671 HA PRO 101 HA PRO 101 15.700 -11.874 -7.387 672 HB2 PRO 101 HB2 PRO 101 16.910 -9.633 -8.378 673 HB3 PRO 101 HB3 PRO 101 15.829 -9.608 -7.000 674 HG2 PRO 101 HG2 PRO 101 18.776 -9.384 -7.048 675 HG3 PRO 101 HG3 PRO 101 17.663 -8.944 -5.768 676 HD2 PRO 101 HD2 PRO 101 19.326 -11.279 -5.867 677 HD3 PRO 101 HD3 PRO 101 18.129 -10.896 -4.646 678 HA PRO 102 HA PRO 102 17.262 -13.448 -11.003 679 HB2 PRO 102 HB2 PRO 102 15.736 -12.297 -12.956 680 HB3 PRO 102 HB3 PRO 102 15.187 -13.647 -11.982 681 HG2 PRO 102 HG2 PRO 102 14.414 -10.799 -11.806 682 HG3 PRO 102 HG3 PRO 102 13.590 -12.202 -11.156 683 HD2 PRO 102 HD2 PRO 102 15.186 -10.319 -9.695 684 HD3 PRO 102 HD3 PRO 102 14.459 -11.784 -9.068 685 H SER 103 H SER 103 16.816 -9.965 -11.297 686 HA SER 103 HA SER 103 19.156 -9.943 -12.996 687 HB2 SER 103 HB2 SER 103 16.753 -8.333 -12.751 688 HB3 SER 103 HB3 SER 103 18.156 -7.298 -12.579 689 HG SER 103 HG SER 103 18.953 -8.029 -14.605 690 H SER 104 H SER 104 20.883 -8.261 -12.551 691 HA SER 104 HA SER 104 22.478 -7.585 -11.228 692 HB2 SER 104 HB2 SER 104 20.112 -6.133 -10.587 693 HB3 SER 104 HB3 SER 104 20.915 -6.433 -9.058 694 HG SER 104 HG SER 104 22.458 -5.038 -9.575 Start of MODEL 6 1 H MET 1 H1 MET 1 -3.371 -15.296 -9.800 2 HA MET 1 HA MET 1 -3.988 -15.301 -12.648 3 HB2 MET 1 HB2 MET 1 -4.692 -17.008 -10.365 4 HB3 MET 1 HB3 MET 1 -6.152 -16.391 -11.113 5 HG2 MET 1 HG2 MET 1 -5.158 -17.138 -13.378 6 HG3 MET 1 HG3 MET 1 -3.918 -17.973 -12.463 7 HE1 MET 1 HE1 MET 1 -5.077 -19.499 -14.264 8 HE2 MET 1 HE2 MET 1 -4.757 -20.763 -13.052 9 HE3 MET 1 HE3 MET 1 -6.356 -20.656 -13.825 10 H GLY 2 H GLY 2 -5.512 -14.511 -9.434 11 HA2 GLY 2 HA2 GLY 2 -7.272 -12.593 -10.771 12 HA3 GLY 2 HA3 GLY 2 -7.391 -13.181 -9.125 13 H LYS 3 H LYS 3 -7.208 -10.367 -10.411 14 HA LYS 3 HA LYS 3 -4.875 -9.446 -8.884 15 HB2 LYS 3 HB2 LYS 3 -5.130 -7.379 -10.364 16 HB3 LYS 3 HB3 LYS 3 -4.497 -8.833 -11.108 17 HG2 LYS 3 HG2 LYS 3 -7.482 -8.430 -11.174 18 HG3 LYS 3 HG3 LYS 3 -6.508 -7.413 -12.217 19 HD2 LYS 3 HD2 LYS 3 -5.780 -10.309 -12.251 20 HD3 LYS 3 HD3 LYS 3 -7.372 -9.942 -12.885 21 HE2 LYS 3 HE2 LYS 3 -6.185 -8.075 -14.279 22 HE3 LYS 3 HE3 LYS 3 -4.688 -8.880 -13.851 23 HZ1 LYS 3 HZ1 LYS 3 -5.785 -10.972 -14.763 24 HZ2 LYS 3 HZ2 LYS 3 -6.942 -10.018 -15.399 25 HZ3 LYS 3 HZ3 LYS 3 -5.380 -9.805 -15.836 26 H GLU 4 H GLU 4 -8.377 -9.084 -9.529 27 HA GLU 4 HA GLU 4 -8.720 -8.078 -6.911 28 HB2 GLU 4 HB2 GLU 4 -8.342 -6.151 -9.014 29 HB3 GLU 4 HB3 GLU 4 -10.024 -6.079 -8.530 30 HG2 GLU 4 HG2 GLU 4 -9.501 -5.511 -6.290 31 HG3 GLU 4 HG3 GLU 4 -7.879 -6.168 -6.394 32 H SER 5 H SER 5 -9.979 -10.090 -6.952 33 HA SER 5 HA SER 5 -12.667 -9.594 -7.477 34 HB2 SER 5 HB2 SER 5 -11.129 -10.869 -9.647 35 HB3 SER 5 HB3 SER 5 -12.485 -11.850 -9.127 36 HG SER 5 HG SER 5 -13.572 -9.485 -9.258 37 H GLY 6 H GLY 6 -13.459 -10.569 -5.650 38 HA2 GLY 6 HA2 GLY 6 -14.026 -12.295 -4.284 39 HA3 GLY 6 HA3 GLY 6 -13.031 -13.384 -5.229 40 H TRP 7 H TRP 7 -10.906 -13.853 -4.592 41 HA TRP 7 HA TRP 7 -9.212 -14.073 -3.182 42 HB2 TRP 7 HB2 TRP 7 -9.405 -11.331 -3.792 43 HB3 TRP 7 HB3 TRP 7 -9.075 -11.415 -2.073 44 HD1 TRP 7 HD1 TRP 7 -7.542 -12.899 -5.351 45 HE1 TRP 7 HE1 TRP 7 -4.923 -13.130 -5.123 46 HE3 TRP 7 HE3 TRP 7 -7.303 -11.357 -0.512 47 HZ2 TRP 7 HZ2 TRP 7 -3.087 -12.652 -2.991 48 HZ3 TRP 7 HZ3 TRP 7 -5.058 -11.268 0.569 49 HH2 TRP 7 HH2 TRP 7 -2.996 -11.884 -0.591 50 H ASP 8 H ASP 8 -10.629 -15.474 -1.857 51 HA ASP 8 HA ASP 8 -12.294 -14.623 0.090 52 HB2 ASP 8 HB2 ASP 8 -10.553 -17.043 -0.303 53 HB3 ASP 8 HB3 ASP 8 -11.255 -16.834 1.289 54 H SER 9 H SER 9 -11.992 -13.605 2.096 55 HA SER 9 HA SER 9 -9.579 -13.993 3.533 56 HB2 SER 9 HB2 SER 9 -9.049 -11.500 3.639 57 HB3 SER 9 HB3 SER 9 -8.668 -12.288 2.121 58 HG SER 9 HG SER 9 -10.696 -11.470 1.254 59 H GLY 10 H GLY 10 -12.278 -11.576 3.113 60 HA2 GLY 10 HA2 GLY 10 -13.942 -10.968 4.503 61 HA3 GLY 10 HA3 GLY 10 -13.650 -12.418 5.442 62 H ARG 11 H ARG 11 -13.993 -11.218 7.431 63 HA ARG 11 HA ARG 11 -12.926 -8.923 8.187 64 HB2 ARG 11 HB2 ARG 11 -13.187 -11.514 9.779 65 HB3 ARG 11 HB3 ARG 11 -12.743 -10.002 10.546 66 HG2 ARG 11 HG2 ARG 11 -14.884 -9.033 9.352 67 HG3 ARG 11 HG3 ARG 11 -15.347 -10.712 9.155 68 HD2 ARG 11 HD2 ARG 11 -14.754 -10.846 11.768 69 HD3 ARG 11 HD3 ARG 11 -15.034 -9.118 11.704 70 HE ARG 11 HE ARG 11 -17.319 -9.543 11.505 71 HH11 ARG 11 HH22 ARG 11 -15.557 -12.437 10.467 72 HH12 ARG 11 HH21 ARG 11 -16.991 -13.385 10.254 73 HH21 ARG 11 HH12 ARG 11 -19.173 -10.785 11.223 74 HH22 ARG 11 HH11 ARG 11 -19.062 -12.431 10.689 75 H ALA 12 H ALA 12 -11.239 -12.106 8.043 76 HA ALA 12 HA ALA 12 -8.953 -11.660 9.375 77 HB1 ALA 12 HB1 ALA 12 -9.065 -12.866 6.586 78 HB2 ALA 12 HB2 ALA 12 -7.942 -13.276 7.905 79 HB3 ALA 12 HB3 ALA 12 -9.667 -13.697 8.041 80 H ALA 13 H ALA 13 -9.955 -10.209 6.262 81 HA ALA 13 HA ALA 13 -7.656 -9.243 5.261 82 HB1 ALA 13 HB1 ALA 13 -10.091 -7.469 5.556 83 HB2 ALA 13 HB2 ALA 13 -8.981 -7.624 4.173 84 HB3 ALA 13 HB3 ALA 13 -10.132 -8.931 4.542 85 H VAL 14 H VAL 14 -9.654 -7.552 7.791 86 HA VAL 14 HA VAL 14 -8.040 -5.429 8.253 87 HB VAL 14 HB VAL 14 -9.589 -7.101 10.242 88 HG11 VAL 14 HG11 VAL 14 -9.282 -5.533 11.854 89 HG12 VAL 14 HG12 VAL 14 -7.784 -5.212 10.947 90 HG13 VAL 14 HG13 VAL 14 -9.218 -4.188 10.689 91 HG21 VAL 14 HG21 VAL 14 -11.048 -6.383 8.491 92 HG22 VAL 14 HG22 VAL 14 -11.328 -5.305 9.880 93 HG23 VAL 14 HG23 VAL 14 -10.357 -4.742 8.499 94 H ALA 15 H ALA 15 -7.726 -8.758 9.639 95 HA ALA 15 HA ALA 15 -5.602 -8.264 11.321 96 HB1 ALA 15 HB1 ALA 15 -6.000 -10.788 9.678 97 HB2 ALA 15 HB2 ALA 15 -5.298 -10.637 11.307 98 HB3 ALA 15 HB3 ALA 15 -7.038 -10.359 11.059 99 H ALA 16 H ALA 16 -5.632 -9.095 7.799 100 HA ALA 16 HA ALA 16 -2.854 -9.235 7.525 101 HB1 ALA 16 HB1 ALA 16 -3.965 -8.339 5.087 102 HB2 ALA 16 HB2 ALA 16 -3.644 -10.021 5.572 103 HB3 ALA 16 HB3 ALA 16 -5.243 -9.298 5.872 104 H VAL 17 H VAL 17 -5.141 -6.533 7.729 105 HA VAL 17 HA VAL 17 -3.249 -4.637 6.689 106 HB VAL 17 HB VAL 17 -5.927 -4.345 8.064 107 HG11 VAL 17 HG11 VAL 17 -5.882 -2.025 7.104 108 HG12 VAL 17 HG12 VAL 17 -4.699 -2.306 8.404 109 HG13 VAL 17 HG13 VAL 17 -4.166 -2.280 6.706 110 HG21 VAL 17 HG21 VAL 17 -6.933 -4.471 6.035 111 HG22 VAL 17 HG22 VAL 17 -5.580 -3.679 5.192 112 HG23 VAL 17 HG23 VAL 17 -5.478 -5.406 5.612 113 H VAL 18 H VAL 18 -3.957 -6.193 9.731 114 HA VAL 18 HA VAL 18 -2.926 -4.081 11.360 115 HB VAL 18 HB VAL 18 -3.623 -6.978 11.844 116 HG11 VAL 18 HG11 VAL 18 -1.762 -6.071 13.343 117 HG12 VAL 18 HG12 VAL 18 -2.983 -4.957 14.005 118 HG13 VAL 18 HG13 VAL 18 -3.207 -6.717 14.159 119 HG21 VAL 18 HG21 VAL 18 -5.650 -6.250 12.659 120 HG22 VAL 18 HG22 VAL 18 -5.025 -4.641 13.095 121 HG23 VAL 18 HG23 VAL 18 -5.358 -5.035 11.391 122 H GLY 19 H GLY 19 -1.743 -7.345 10.288 123 HA2 GLY 19 HA2 GLY 19 0.758 -7.259 11.464 124 HA3 GLY 19 HA3 GLY 19 0.343 -8.132 10.002 125 H GLY 20 H GLY 20 1.913 -5.303 11.358 126 HA2 GLY 20 HA2 GLY 20 3.772 -4.472 10.025 127 HA3 GLY 20 HA3 GLY 20 2.712 -4.482 8.630 128 H VAL 21 H VAL 21 1.680 -3.505 11.925 129 HA VAL 21 HA VAL 21 0.402 -1.225 11.143 130 HB VAL 21 HB VAL 21 0.125 -2.301 13.295 131 HG11 VAL 21 HG11 VAL 21 2.783 -1.141 14.166 132 HG12 VAL 21 HG12 VAL 21 1.737 -2.289 15.036 133 HG13 VAL 21 HG13 VAL 21 2.607 -2.810 13.573 134 HG21 VAL 21 HG21 VAL 21 0.590 -0.066 14.728 135 HG22 VAL 21 HG22 VAL 21 0.750 0.601 13.086 136 HG23 VAL 21 HG23 VAL 21 -0.753 -0.221 13.570 137 H VAL 22 H VAL 22 3.787 -1.518 12.429 138 HA VAL 22 HA VAL 22 4.470 1.126 12.308 139 HB VAL 22 HB VAL 22 6.055 -1.399 11.848 140 HG11 VAL 22 HG11 VAL 22 7.379 0.223 10.757 141 HG12 VAL 22 HG12 VAL 22 7.011 1.468 11.975 142 HG13 VAL 22 HG13 VAL 22 8.062 0.095 12.396 143 HG21 VAL 22 HG21 VAL 22 5.577 0.418 14.219 144 HG22 VAL 22 HG22 VAL 22 5.239 -1.322 14.066 145 HG23 VAL 22 HG23 VAL 22 6.921 -0.748 14.164 146 H ALA 23 H ALA 23 4.649 -1.366 9.683 147 HA ALA 23 HA ALA 23 5.783 0.244 7.749 148 HB1 ALA 23 HB1 ALA 23 3.998 -1.453 6.417 149 HB2 ALA 23 HB2 ALA 23 5.683 -1.823 6.857 150 HB3 ALA 23 HB3 ALA 23 4.354 -2.301 7.941 151 H VAL 24 H VAL 24 2.397 -0.031 8.898 152 HA VAL 24 HA VAL 24 1.318 1.538 6.801 153 HB VAL 24 HB VAL 24 0.294 0.845 9.561 154 HG11 VAL 24 HG11 VAL 24 -0.866 2.809 8.717 155 HG12 VAL 24 HG12 VAL 24 -1.167 1.999 7.161 156 HG13 VAL 24 HG13 VAL 24 -1.943 1.394 8.644 157 HG21 VAL 24 HG21 VAL 24 -0.739 -0.408 7.047 158 HG22 VAL 24 HG22 VAL 24 0.832 -0.954 7.680 159 HG23 VAL 24 HG23 VAL 24 -0.626 -1.071 8.695 160 H GLY 25 H GLY 25 2.904 2.195 9.905 161 HA2 GLY 25 HA2 GLY 25 1.990 4.859 10.223 162 HA3 GLY 25 HA3 GLY 25 3.382 4.115 10.983 163 H THR 26 H THR 26 5.149 3.488 9.032 164 HA THR 26 HA THR 26 6.230 5.959 8.305 165 HB THR 26 HB THR 26 6.733 3.094 7.349 166 HG1 THR 26 HG1 THR 26 8.331 3.306 9.045 167 HG21 THR 26 HG21 THR 26 7.720 4.939 5.832 168 HG22 THR 26 HG22 THR 26 8.636 5.485 7.258 169 HG23 THR 26 HG23 THR 26 8.909 3.856 6.594 170 H VAL 27 H VAL 27 4.302 3.574 6.405 171 HA VAL 27 HA VAL 27 4.538 4.837 3.957 172 HB VAL 27 HB VAL 27 2.341 3.181 5.199 173 HG11 VAL 27 HG11 VAL 27 2.205 2.977 2.386 174 HG12 VAL 27 HG12 VAL 27 1.007 3.698 3.488 175 HG13 VAL 27 HG13 VAL 27 2.269 4.717 2.755 176 HG21 VAL 27 HG21 VAL 27 4.827 2.385 4.590 177 HG22 VAL 27 HG22 VAL 27 3.405 1.335 4.381 178 HG23 VAL 27 HG23 VAL 27 4.083 2.204 2.983 179 H LEU 28 H LEU 28 2.002 5.247 6.525 180 HA LEU 28 HA LEU 28 0.563 7.208 5.199 181 HB2 LEU 28 HB2 LEU 28 0.214 5.803 7.430 182 HB3 LEU 28 HB3 LEU 28 0.810 7.277 8.167 183 HG LEU 28 HG LEU 28 -1.623 7.233 8.126 184 HD11 LEU 28 HD11 LEU 28 -0.462 9.303 6.241 185 HD12 LEU 28 HD12 LEU 28 -2.038 9.414 7.062 186 HD13 LEU 28 HD13 LEU 28 -0.536 9.401 8.017 187 HD21 LEU 28 HD21 LEU 28 -1.473 7.232 5.102 188 HD22 LEU 28 HD22 LEU 28 -1.824 5.794 6.090 189 HD23 LEU 28 HD23 LEU 28 -2.930 7.188 6.124 190 H VAL 29 H VAL 29 2.943 7.715 7.906 191 HA VAL 29 HA VAL 29 3.111 10.386 7.865 192 HB VAL 29 HB VAL 29 5.327 8.348 8.126 193 HG11 VAL 29 HG11 VAL 29 5.340 11.277 8.934 194 HG12 VAL 29 HG12 VAL 29 6.604 10.082 9.314 195 HG13 VAL 29 HG13 VAL 29 6.295 10.544 7.623 196 HG21 VAL 29 HG21 VAL 29 4.751 9.420 10.622 197 HG22 VAL 29 HG22 VAL 29 3.152 9.266 9.855 198 HG23 VAL 29 HG23 VAL 29 4.210 7.842 10.001 199 H ALA 30 H ALA 30 4.407 8.124 5.422 200 HA ALA 30 HA ALA 30 5.992 10.030 4.079 201 HB1 ALA 30 HB1 ALA 30 5.920 7.399 4.006 202 HB2 ALA 30 HB2 ALA 30 4.709 7.658 2.727 203 HB3 ALA 30 HB3 ALA 30 6.354 8.313 2.541 204 H LEU 31 H LEU 31 2.915 8.474 2.925 205 HA LEU 31 HA LEU 31 2.360 10.198 0.921 206 HB2 LEU 31 HB2 LEU 31 0.385 8.909 2.810 207 HB3 LEU 31 HB3 LEU 31 0.005 9.568 1.231 208 HG LEU 31 HG LEU 31 1.887 7.247 1.739 209 HD11 LEU 31 HD11 LEU 31 -0.994 7.365 1.604 210 HD12 LEU 31 HD12 LEU 31 -0.344 6.392 0.263 211 HD13 LEU 31 HD13 LEU 31 0.075 5.983 1.944 212 HD21 LEU 31 HD21 LEU 31 1.604 8.949 -0.521 213 HD22 LEU 31 HD22 LEU 31 2.592 7.478 -0.349 214 HD23 LEU 31 HD23 LEU 31 0.918 7.361 -0.944 215 H SER 32 H SER 32 1.143 10.535 4.332 216 HA SER 32 HA SER 32 -0.071 12.943 3.972 217 HB2 SER 32 HB2 SER 32 0.550 11.233 6.132 218 HB3 SER 32 HB3 SER 32 1.250 12.774 6.584 219 HG SER 32 HG SER 32 -1.094 12.354 7.160 220 H ALA 33 H ALA 33 3.049 12.640 5.811 221 HA ALA 33 HA ALA 33 3.737 15.331 5.111 222 HB1 ALA 33 HB1 ALA 33 4.573 13.245 7.001 223 HB2 ALA 33 HB2 ALA 33 5.950 14.135 6.308 224 HB3 ALA 33 HB3 ALA 33 4.654 15.017 7.150 225 H MET 34 H MET 34 3.421 14.328 2.690 226 HA MET 34 HA MET 34 5.272 12.772 1.532 227 HB2 MET 34 HB2 MET 34 3.196 14.240 0.633 228 HB3 MET 34 HB3 MET 34 4.459 15.361 0.164 229 HG2 MET 34 HG2 MET 34 4.011 13.881 -1.727 230 HG3 MET 34 HG3 MET 34 5.604 13.500 -1.102 231 HE1 MET 34 HE1 MET 34 1.809 11.205 -1.241 232 HE2 MET 34 HE2 MET 34 2.375 12.687 -2.048 233 HE3 MET 34 HE3 MET 34 2.950 11.096 -2.603 234 H GLY 35 H GLY 35 5.625 16.198 2.523 235 HA2 GLY 35 HA2 GLY 35 8.248 16.288 3.015 236 HA3 GLY 35 HA3 GLY 35 8.235 16.429 1.268 237 H PHE 36 H PHE 36 6.003 17.697 3.847 238 HA PHE 36 HA PHE 36 6.899 20.358 3.516 239 HB2 PHE 36 HB2 PHE 36 4.787 21.176 2.423 240 HB3 PHE 36 HB3 PHE 36 5.611 20.035 1.379 241 HD1 PHE 36 HD2 PHE 36 4.798 17.608 1.394 242 HD2 PHE 36 HD1 PHE 36 2.567 20.804 3.074 243 HE1 PHE 36 HE2 PHE 36 2.711 16.220 1.265 244 HE2 PHE 36 HE1 PHE 36 0.480 19.415 2.945 245 HZ PHE 36 HZ PHE 36 0.577 17.139 2.042 246 H THR 37 H THR 37 6.987 19.769 5.867 247 HA THR 37 HA THR 37 6.128 19.612 7.934 248 HB THR 37 HB THR 37 5.974 22.057 7.308 249 HG1 THR 37 HG1 THR 37 4.542 22.402 9.127 250 HG21 THR 37 HG21 THR 37 3.450 22.795 7.116 251 HG22 THR 37 HG22 THR 37 4.282 22.256 5.638 252 HG23 THR 37 HG23 THR 37 3.184 21.148 6.496 253 H SER 38 H SER 38 3.558 20.025 9.024 254 HA SER 38 HA SER 38 1.559 18.686 7.712 255 HB2 SER 38 HB2 SER 38 3.502 16.842 8.271 256 HB3 SER 38 HB3 SER 38 2.569 16.748 9.751 257 HG SER 38 HG SER 38 1.664 16.289 7.047 258 H VAL 39 H VAL 39 3.283 19.180 10.840 259 HA VAL 39 HA VAL 39 1.081 18.980 12.519 260 HB VAL 39 HB VAL 39 2.568 20.639 13.902 261 HG11 VAL 39 HG11 VAL 39 3.398 17.824 13.130 262 HG12 VAL 39 HG12 VAL 39 4.063 18.726 14.513 263 HG13 VAL 39 HG13 VAL 39 2.333 18.309 14.471 264 HG21 VAL 39 HG21 VAL 39 3.884 20.892 11.506 265 HG22 VAL 39 HG22 VAL 39 4.582 21.254 13.103 266 HG23 VAL 39 HG23 VAL 39 4.874 19.672 12.342 267 H GLY 40 H GLY 40 2.639 22.181 12.241 268 HA2 GLY 40 HA2 GLY 40 0.613 23.796 12.772 269 HA3 GLY 40 HA3 GLY 40 1.792 24.179 11.533 270 H ILE 41 H ILE 41 1.304 22.784 9.340 271 HA ILE 41 HA ILE 41 -0.849 23.906 8.151 272 HB ILE 41 HB ILE 41 0.911 22.869 6.918 273 HG12 ILE 41 HG12 ILE 41 -1.500 21.205 6.222 274 HG13 ILE 41 HG13 ILE 41 -1.553 22.950 6.062 275 HG21 ILE 41 HG21 ILE 41 1.332 21.013 8.531 276 HG22 ILE 41 HG22 ILE 41 -0.084 20.168 7.859 277 HG23 ILE 41 HG23 ILE 41 1.323 20.510 6.824 278 HD11 ILE 41 HD11 ILE 41 0.325 22.954 4.519 279 HD12 ILE 41 HD12 ILE 41 0.644 21.231 4.827 280 HD13 ILE 41 HD13 ILE 41 -0.831 21.721 3.960 281 H ALA 42 H ALA 42 -0.731 20.599 9.647 282 HA ALA 42 HA ALA 42 -3.376 19.951 9.162 283 HB1 ALA 42 HB1 ALA 42 -3.011 18.420 11.180 284 HB2 ALA 42 HB2 ALA 42 -1.834 18.264 9.854 285 HB3 ALA 42 HB3 ALA 42 -1.400 19.162 11.328 286 H ALA 43 H ALA 43 -1.843 21.844 11.810 287 HA ALA 43 HA ALA 43 -4.124 22.015 13.423 288 HB1 ALA 43 HB1 ALA 43 -2.100 24.233 13.277 289 HB2 ALA 43 HB2 ALA 43 -2.832 23.454 14.700 290 HB3 ALA 43 HB3 ALA 43 -1.560 22.613 13.781 291 H SER 44 H SER 44 -3.087 23.696 10.474 292 HA SER 44 HA SER 44 -4.837 25.870 10.801 293 HB2 SER 44 HB2 SER 44 -2.744 25.247 9.103 294 HB3 SER 44 HB3 SER 44 -4.117 25.081 8.026 295 HG SER 44 HG SER 44 -3.075 27.392 9.289 296 H SER 45 H SER 45 -4.914 23.012 8.534 297 HA SER 45 HA SER 45 -7.367 23.429 7.501 298 HB2 SER 45 HB2 SER 45 -5.623 21.057 7.952 299 HB3 SER 45 HB3 SER 45 -7.311 20.678 7.673 300 HG SER 45 HG SER 45 -6.048 22.571 5.941 301 H ILE 46 H ILE 46 -6.567 21.402 10.419 302 HA ILE 46 HA ILE 46 -9.142 20.698 11.077 303 HB ILE 46 HB ILE 46 -6.690 21.157 12.768 304 HG12 ILE 46 HG12 ILE 46 -7.921 18.509 12.038 305 HG13 ILE 46 HG13 ILE 46 -6.871 19.338 10.905 306 HG21 ILE 46 HG21 ILE 46 -9.454 20.564 13.581 307 HG22 ILE 46 HG22 ILE 46 -8.237 19.427 14.210 308 HG23 ILE 46 HG23 ILE 46 -8.075 21.171 14.529 309 HD11 ILE 46 HD11 ILE 46 -5.983 17.655 12.891 310 HD12 ILE 46 HD12 ILE 46 -4.989 18.929 12.144 311 HD13 ILE 46 HD13 ILE 46 -5.821 19.238 13.687 312 H ALA 47 H ALA 47 -7.223 23.558 12.229 313 HA ALA 47 HA ALA 47 -9.129 24.669 13.847 314 HB1 ALA 47 HB1 ALA 47 -6.923 25.562 13.822 315 HB2 ALA 47 HB2 ALA 47 -6.983 25.870 12.069 316 HB3 ALA 47 HB3 ALA 47 -7.962 26.857 13.180 317 H ALA 48 H ALA 48 -8.878 24.659 10.278 318 HA ALA 48 HA ALA 48 -10.907 26.616 9.911 319 HB1 ALA 48 HB1 ALA 48 -10.780 25.197 7.564 320 HB2 ALA 48 HB2 ALA 48 -9.680 26.527 8.001 321 HB3 ALA 48 HB3 ALA 48 -9.190 24.839 8.278 322 H LYS 49 H LYS 49 -10.823 23.020 9.342 323 HA LYS 49 HA LYS 49 -13.541 22.766 8.891 324 HB2 LYS 49 HB2 LYS 49 -11.464 21.124 8.646 325 HB3 LYS 49 HB3 LYS 49 -12.012 20.556 10.210 326 HG2 LYS 49 HG2 LYS 49 -14.249 20.079 9.330 327 HG3 LYS 49 HG3 LYS 49 -13.865 20.843 7.801 328 HD2 LYS 49 HD2 LYS 49 -11.821 18.912 8.176 329 HD3 LYS 49 HD3 LYS 49 -13.291 18.113 8.700 330 HE2 LYS 49 HE2 LYS 49 -13.235 17.665 6.373 331 HE3 LYS 49 HE3 LYS 49 -14.356 19.007 6.492 332 HZ1 LYS 49 HZ1 LYS 49 -12.026 20.307 6.214 333 HZ2 LYS 49 HZ2 LYS 49 -11.694 18.971 5.343 334 HZ3 LYS 49 HZ3 LYS 49 -13.011 19.873 4.982 335 H MET 50 H MET 50 -15.287 22.000 10.245 336 HA MET 50 HA MET 50 -14.783 22.243 13.086 337 HB2 MET 50 HB2 MET 50 -16.167 24.204 11.426 338 HB3 MET 50 HB3 MET 50 -17.329 23.487 12.524 339 HG2 MET 50 HG2 MET 50 -16.427 24.542 14.340 340 HG3 MET 50 HG3 MET 50 -14.791 24.107 13.888 341 HE1 MET 50 HE1 MET 50 -15.932 26.449 15.249 342 HE2 MET 50 HE2 MET 50 -14.445 27.312 14.789 343 HE3 MET 50 HE3 MET 50 -16.035 27.996 14.376 344 H MET 51 H MET 51 -15.167 20.016 13.387 345 HA MET 51 HA MET 51 -16.245 18.095 13.311 346 HB2 MET 51 HB2 MET 51 -17.881 20.180 14.620 347 HB3 MET 51 HB3 MET 51 -18.883 18.860 14.051 348 HG2 MET 51 HG2 MET 51 -17.432 17.222 15.257 349 HG3 MET 51 HG3 MET 51 -16.401 18.528 15.806 350 HE1 MET 51 HE1 MET 51 -19.744 16.754 15.961 351 HE2 MET 51 HE2 MET 51 -18.683 16.211 17.282 352 HE3 MET 51 HE3 MET 51 -20.206 17.053 17.654 353 H SER 52 H SER 52 -16.202 17.634 11.020 354 HA SER 52 HA SER 52 -18.748 17.215 9.963 355 HB2 SER 52 HB2 SER 52 -18.546 18.673 7.929 356 HB3 SER 52 HB3 SER 52 -18.756 19.580 9.413 357 HG SER 52 HG SER 52 -16.568 20.151 9.417 358 H THR 53 H THR 53 -18.603 16.058 7.821 359 HA THR 53 HA THR 53 -15.927 15.360 6.948 360 HB THR 53 HB THR 53 -16.325 12.932 7.334 361 HG1 THR 53 HG1 THR 53 -18.674 13.987 8.741 362 HG21 THR 53 HG21 THR 53 -17.021 14.415 9.916 363 HG22 THR 53 HG22 THR 53 -16.181 12.853 9.756 364 HG23 THR 53 HG23 THR 53 -15.366 14.357 9.263 365 H ALA 54 H ALA 54 -16.811 16.682 5.164 366 HA ALA 54 HA ALA 54 -17.678 15.032 3.094 367 HB1 ALA 54 HB1 ALA 54 -19.963 16.027 2.754 368 HB2 ALA 54 HB2 ALA 54 -19.840 14.986 4.193 369 HB3 ALA 54 HB3 ALA 54 -19.835 16.757 4.372 370 H ALA 55 H ALA 55 -15.550 16.431 2.910 371 HA ALA 55 HA ALA 55 -16.010 18.334 0.934 372 HB1 ALA 55 HB1 ALA 55 -14.836 20.062 2.866 373 HB2 ALA 55 HB2 ALA 55 -16.424 20.221 2.078 374 HB3 ALA 55 HB3 ALA 55 -16.280 19.349 3.623 375 H ILE 56 H ILE 56 -14.280 17.815 -0.303 376 HA ILE 56 HA ILE 56 -11.690 17.670 1.064 377 HB ILE 56 HB ILE 56 -12.830 15.746 -0.958 378 HG12 ILE 56 HG12 ILE 56 -11.611 14.396 1.173 379 HG13 ILE 56 HG13 ILE 56 -12.466 15.726 1.929 380 HG21 ILE 56 HG21 ILE 56 -10.509 16.428 -1.558 381 HG22 ILE 56 HG22 ILE 56 -9.971 15.846 0.036 382 HG23 ILE 56 HG23 ILE 56 -10.675 14.707 -1.137 383 HD11 ILE 56 HD11 ILE 56 -14.374 14.923 0.145 384 HD12 ILE 56 HD12 ILE 56 -13.546 13.376 0.439 385 HD13 ILE 56 HD13 ILE 56 -14.249 14.281 1.800 386 H ALA 57 H ALA 57 -13.121 17.599 -2.282 387 HA ALA 57 HA ALA 57 -12.185 20.148 -2.947 388 HB1 ALA 57 HB1 ALA 57 -10.374 17.811 -3.621 389 HB2 ALA 57 HB2 ALA 57 -10.385 19.302 -4.593 390 HB3 ALA 57 HB3 ALA 57 -9.948 19.367 -2.868 391 H ASN 58 H ASN 58 -14.495 19.921 -3.551 392 HA ASN 58 HA ASN 58 -16.127 19.532 -4.934 393 HB2 ASN 58 HB2 ASN 58 -13.891 19.469 -7.030 394 HB3 ASN 58 HB3 ASN 58 -15.589 19.704 -7.392 395 HD21 ASN 58 HD21 ASN 58 -13.262 21.426 -7.838 396 HD22 ASN 58 HD22 ASN 58 -13.594 22.944 -7.073 397 H GLY 59 H GLY 59 -16.880 17.419 -4.377 398 HA2 GLY 59 HA2 GLY 59 -17.468 15.391 -5.594 399 HA3 GLY 59 HA3 GLY 59 -15.774 15.206 -6.002 400 H GLY 60 H GLY 60 -15.057 13.409 -4.917 401 HA2 GLY 60 HA2 GLY 60 -14.241 13.213 -2.438 402 HA3 GLY 60 HA3 GLY 60 -15.955 12.975 -2.162 403 H GLY 61 H GLY 61 -13.195 11.774 -4.181 404 HA2 GLY 61 HA2 GLY 61 -14.360 9.479 -5.192 405 HA3 GLY 61 HA3 GLY 61 -12.653 9.703 -4.863 406 H VAL 62 H VAL 62 -11.696 8.515 -3.241 407 HA VAL 62 HA VAL 62 -13.521 7.228 -1.332 408 HB VAL 62 HB VAL 62 -11.222 6.084 -2.910 409 HG11 VAL 62 HG11 VAL 62 -12.582 4.741 -0.553 410 HG12 VAL 62 HG12 VAL 62 -11.228 4.120 -1.526 411 HG13 VAL 62 HG13 VAL 62 -10.990 5.532 -0.469 412 HG21 VAL 62 HG21 VAL 62 -13.678 6.092 -3.725 413 HG22 VAL 62 HG22 VAL 62 -12.774 4.560 -3.776 414 HG23 VAL 62 HG23 VAL 62 -13.945 4.859 -2.469 415 H ALA 63 H ALA 63 -10.057 8.086 -2.025 416 HA ALA 63 HA ALA 63 -9.510 8.198 0.801 417 HB1 ALA 63 HB1 ALA 63 -7.541 9.284 -1.127 418 HB2 ALA 63 HB2 ALA 63 -7.341 8.051 0.141 419 HB3 ALA 63 HB3 ALA 63 -8.034 7.602 -1.436 420 H ALA 64 H ALA 64 -9.227 10.558 -1.959 421 HA ALA 64 HA ALA 64 -10.600 12.574 -0.534 422 HB1 ALA 64 HB1 ALA 64 -7.881 13.595 -0.881 423 HB2 ALA 64 HB2 ALA 64 -8.953 13.677 0.538 424 HB3 ALA 64 HB3 ALA 64 -7.938 12.239 0.271 425 H GLY 65 H GLY 65 -7.716 12.499 -2.751 426 HA2 GLY 65 HA2 GLY 65 -9.325 12.945 -5.077 427 HA3 GLY 65 HA3 GLY 65 -8.553 14.416 -4.520 428 H SER 66 H SER 66 -6.363 14.764 -4.906 429 HA SER 66 HA SER 66 -5.142 13.384 -6.888 430 HB2 SER 66 HB2 SER 66 -4.541 15.579 -5.234 431 HB3 SER 66 HB3 SER 66 -3.204 14.478 -4.967 432 HG SER 66 HG SER 66 -2.504 15.502 -6.759 433 H LEU 67 H LEU 67 -4.914 12.912 -3.317 434 HA LEU 67 HA LEU 67 -2.844 11.144 -3.188 435 HB2 LEU 67 HB2 LEU 67 -5.073 11.957 -1.556 436 HB3 LEU 67 HB3 LEU 67 -4.809 10.233 -1.385 437 HG LEU 67 HG LEU 67 -2.325 11.793 -1.246 438 HD11 LEU 67 HD11 LEU 67 -3.840 13.450 -0.253 439 HD12 LEU 67 HD12 LEU 67 -4.414 12.228 0.907 440 HD13 LEU 67 HD13 LEU 67 -2.718 12.769 0.950 441 HD21 LEU 67 HD21 LEU 67 -2.278 9.490 -0.669 442 HD22 LEU 67 HD22 LEU 67 -2.077 10.405 0.845 443 HD23 LEU 67 HD23 LEU 67 -3.649 9.668 0.452 444 H VAL 68 H VAL 68 -6.217 10.594 -4.261 445 HA VAL 68 HA VAL 68 -6.283 7.859 -4.243 446 HB VAL 68 HB VAL 68 -7.401 9.719 -6.350 447 HG11 VAL 68 HG11 VAL 68 -8.206 6.933 -5.455 448 HG12 VAL 68 HG12 VAL 68 -9.203 7.980 -6.493 449 HG13 VAL 68 HG13 VAL 68 -7.608 7.428 -7.057 450 HG21 VAL 68 HG21 VAL 68 -7.862 9.766 -3.584 451 HG22 VAL 68 HG22 VAL 68 -8.844 10.535 -4.854 452 HG23 VAL 68 HG23 VAL 68 -9.260 8.905 -4.273 453 H ALA 69 H ALA 69 -4.943 10.070 -6.781 454 HA ALA 69 HA ALA 69 -4.228 8.083 -8.582 455 HB1 ALA 69 HB1 ALA 69 -2.377 10.356 -8.457 456 HB2 ALA 69 HB2 ALA 69 -3.502 9.873 -9.749 457 HB3 ALA 69 HB3 ALA 69 -4.083 10.860 -8.387 458 H ILE 70 H ILE 70 -2.653 9.306 -5.613 459 HA ILE 70 HA ILE 70 -0.189 7.989 -6.115 460 HB ILE 70 HB ILE 70 -1.439 9.225 -3.668 461 HG12 ILE 70 HG12 ILE 70 1.029 10.347 -4.804 462 HG13 ILE 70 HG13 ILE 70 -0.329 10.389 -5.911 463 HG21 ILE 70 HG21 ILE 70 1.011 9.096 -2.822 464 HG22 ILE 70 HG22 ILE 70 -0.042 7.669 -2.669 465 HG23 ILE 70 HG23 ILE 70 1.163 7.750 -3.977 466 HD11 ILE 70 HD11 ILE 70 -0.847 11.216 -3.065 467 HD12 ILE 70 HD12 ILE 70 0.071 12.332 -4.103 468 HD13 ILE 70 HD13 ILE 70 -1.570 11.827 -4.572 469 H LEU 71 H LEU 71 -3.304 7.122 -4.630 470 HA LEU 71 HA LEU 71 -2.359 4.823 -3.300 471 HB2 LEU 71 HB2 LEU 71 -4.765 6.266 -3.565 472 HB3 LEU 71 HB3 LEU 71 -5.118 4.635 -4.098 473 HG LEU 71 HG LEU 71 -3.667 4.238 -1.760 474 HD11 LEU 71 HD11 LEU 71 -3.690 6.213 -0.687 475 HD12 LEU 71 HD12 LEU 71 -5.041 6.850 -1.655 476 HD13 LEU 71 HD13 LEU 71 -5.363 5.758 -0.286 477 HD21 LEU 71 HD21 LEU 71 -6.393 3.876 -2.740 478 HD22 LEU 71 HD22 LEU 71 -5.372 2.803 -1.752 479 HD23 LEU 71 HD23 LEU 71 -6.316 4.097 -0.975 480 H GLN 72 H GLN 72 -3.698 5.458 -6.582 481 HA GLN 72 HA GLN 72 -3.845 2.775 -7.300 482 HB2 GLN 72 HB2 GLN 72 -3.955 5.416 -8.681 483 HB3 GLN 72 HB3 GLN 72 -3.493 4.066 -9.699 484 HG2 GLN 72 HG2 GLN 72 -5.577 3.103 -9.600 485 HG3 GLN 72 HG3 GLN 72 -5.780 3.469 -7.898 486 HE21 GLN 72 HE21 GLN 72 -7.970 3.826 -9.066 487 HE22 GLN 72 HE22 GLN 72 -8.345 5.463 -9.489 488 H SER 73 H SER 73 -1.344 5.314 -8.032 489 HA SER 73 HA SER 73 0.352 3.570 -9.355 490 HB2 SER 73 HB2 SER 73 0.275 6.293 -8.830 491 HB3 SER 73 HB3 SER 73 1.657 5.789 -7.877 492 HG SER 73 HG SER 73 2.127 6.394 -10.153 493 H VAL 74 H VAL 74 0.911 5.090 -6.089 494 HA VAL 74 HA VAL 74 2.945 3.466 -5.289 495 HB VAL 74 HB VAL 74 1.676 5.547 -4.247 496 HG11 VAL 74 HG11 VAL 74 -0.271 3.902 -3.668 497 HG12 VAL 74 HG12 VAL 74 0.770 3.437 -2.300 498 HG13 VAL 74 HG13 VAL 74 0.232 5.125 -2.476 499 HG21 VAL 74 HG21 VAL 74 2.809 4.077 -2.018 500 HG22 VAL 74 HG22 VAL 74 3.795 3.869 -3.485 501 HG23 VAL 74 HG23 VAL 74 3.438 5.503 -2.876 502 H GLY 75 H GLY 75 -0.537 2.775 -5.472 503 HA2 GLY 75 HA2 GLY 75 -0.658 0.550 -3.787 504 HA3 GLY 75 HA3 GLY 75 -1.708 0.886 -5.149 505 H ALA 76 H ALA 76 -0.583 0.505 -7.424 506 HA ALA 76 HA ALA 76 0.094 -2.220 -7.515 507 HB1 ALA 76 HB1 ALA 76 -0.277 0.054 -9.379 508 HB2 ALA 76 HB2 ALA 76 0.843 -1.206 -9.953 509 HB3 ALA 76 HB3 ALA 76 -0.827 -1.634 -9.508 510 H ALA 77 H ALA 77 2.083 0.697 -8.408 511 HA ALA 77 HA ALA 77 4.463 -0.494 -8.794 512 HB1 ALA 77 HB1 ALA 77 5.460 1.659 -8.070 513 HB2 ALA 77 HB2 ALA 77 4.017 1.906 -9.083 514 HB3 ALA 77 HB3 ALA 77 3.912 2.113 -7.318 515 H GLY 78 H GLY 78 3.204 0.650 -5.580 516 HA2 GLY 78 HA2 GLY 78 5.285 -0.139 -3.981 517 HA3 GLY 78 HA3 GLY 78 3.600 -0.111 -3.500 518 H LEU 79 H LEU 79 2.232 -2.082 -4.293 519 HA LEU 79 HA LEU 79 3.134 -4.357 -3.147 520 HB2 LEU 79 HB2 LEU 79 1.049 -3.669 -5.126 521 HB3 LEU 79 HB3 LEU 79 1.492 -5.363 -5.049 522 HG LEU 79 HG LEU 79 -0.429 -4.891 -3.633 523 HD11 LEU 79 HD11 LEU 79 1.491 -6.544 -3.004 524 HD12 LEU 79 HD12 LEU 79 1.798 -5.391 -1.684 525 HD13 LEU 79 HD13 LEU 79 0.207 -6.178 -1.827 526 HD21 LEU 79 HD21 LEU 79 1.402 -2.920 -2.245 527 HD22 LEU 79 HD22 LEU 79 -0.126 -2.585 -3.096 528 HD23 LEU 79 HD23 LEU 79 -0.140 -3.499 -1.569 529 H SER 80 H SER 80 3.914 -3.073 -6.361 530 HA SER 80 HA SER 80 4.859 -5.434 -7.458 531 HB2 SER 80 HB2 SER 80 4.640 -2.727 -8.223 532 HB3 SER 80 HB3 SER 80 6.357 -3.063 -8.319 533 HG SER 80 HG SER 80 5.822 -3.874 -10.240 534 H VAL 81 H VAL 81 6.971 -2.631 -6.519 535 HA VAL 81 HA VAL 81 9.306 -4.010 -6.344 536 HB VAL 81 HB VAL 81 8.289 -1.625 -4.796 537 HG11 VAL 81 HG11 VAL 81 10.056 -2.255 -3.432 538 HG12 VAL 81 HG12 VAL 81 10.988 -2.955 -4.778 539 HG13 VAL 81 HG13 VAL 81 10.866 -1.188 -4.604 540 HG21 VAL 81 HG21 VAL 81 10.381 -1.199 -6.788 541 HG22 VAL 81 HG22 VAL 81 8.922 -1.940 -7.489 542 HG23 VAL 81 HG23 VAL 81 8.801 -0.402 -6.600 543 H THR 82 H THR 82 6.554 -4.031 -4.128 544 HA THR 82 HA THR 82 7.905 -4.984 -1.850 545 HB THR 82 HB THR 82 5.036 -5.024 -2.883 546 HG1 THR 82 HG1 THR 82 4.972 -3.410 -1.175 547 HG21 THR 82 HG21 THR 82 4.864 -6.857 -1.398 548 HG22 THR 82 HG22 THR 82 6.231 -6.299 -0.403 549 HG23 THR 82 HG23 THR 82 4.652 -5.485 -0.283 550 H SER 83 H SER 83 5.535 -7.003 -3.653 551 HA SER 83 HA SER 83 6.529 -9.357 -2.805 552 HB2 SER 83 HB2 SER 83 4.805 -8.434 -5.005 553 HB3 SER 83 HB3 SER 83 5.652 -9.912 -5.416 554 HG SER 83 HG SER 83 3.934 -10.737 -4.358 555 H LYS 84 H LYS 84 7.488 -7.460 -5.732 556 HA LYS 84 HA LYS 84 9.177 -9.282 -6.894 557 HB2 LYS 84 HB2 LYS 84 9.040 -6.283 -6.837 558 HB3 LYS 84 HB3 LYS 84 10.406 -7.062 -7.609 559 HG2 LYS 84 HG2 LYS 84 8.767 -8.455 -8.967 560 HG3 LYS 84 HG3 LYS 84 7.459 -7.520 -8.269 561 HD2 LYS 84 HD2 LYS 84 8.412 -5.431 -9.215 562 HD3 LYS 84 HD3 LYS 84 9.780 -6.320 -9.854 563 HE2 LYS 84 HE2 LYS 84 8.585 -7.138 -11.635 564 HE3 LYS 84 HE3 LYS 84 7.163 -7.462 -10.663 565 HZ1 LYS 84 HZ1 LYS 84 7.870 -5.012 -12.085 566 HZ2 LYS 84 HZ2 LYS 84 6.404 -5.686 -11.870 567 HZ3 LYS 84 HZ3 LYS 84 7.110 -4.864 -10.644 568 H VAL 85 H VAL 85 9.857 -6.902 -4.256 569 HA VAL 85 HA VAL 85 12.578 -7.592 -4.046 570 HB VAL 85 HB VAL 85 10.563 -6.136 -2.374 571 HG11 VAL 85 HG11 VAL 85 11.908 -7.382 -0.747 572 HG12 VAL 85 HG12 VAL 85 13.402 -6.773 -1.499 573 HG13 VAL 85 HG13 VAL 85 12.288 -5.644 -0.690 574 HG21 VAL 85 HG21 VAL 85 13.247 -5.232 -3.455 575 HG22 VAL 85 HG22 VAL 85 11.727 -5.111 -4.372 576 HG23 VAL 85 HG23 VAL 85 11.915 -4.224 -2.840 577 H ILE 86 H ILE 86 9.561 -9.001 -2.834 578 HA ILE 86 HA ILE 86 10.815 -10.547 -0.800 579 HB ILE 86 HB ILE 86 8.112 -10.648 -2.131 580 HG12 ILE 86 HG12 ILE 86 8.838 -9.812 0.685 581 HG13 ILE 86 HG13 ILE 86 8.763 -8.682 -0.652 582 HG21 ILE 86 HG21 ILE 86 9.419 -12.670 -0.533 583 HG22 ILE 86 HG22 ILE 86 7.987 -12.029 0.307 584 HG23 ILE 86 HG23 ILE 86 7.830 -12.700 -1.334 585 HD11 ILE 86 HD11 ILE 86 6.383 -10.399 -0.587 586 HD12 ILE 86 HD12 ILE 86 6.606 -9.517 0.943 587 HD13 ILE 86 HD13 ILE 86 6.495 -8.623 -0.591 588 H GLY 87 H GLY 87 9.125 -11.642 -3.826 589 HA2 GLY 87 HA2 GLY 87 11.285 -13.061 -4.886 590 HA3 GLY 87 HA3 GLY 87 10.399 -14.156 -3.844 591 H GLY 88 H GLY 88 7.743 -13.437 -4.140 592 HA2 GLY 88 HA2 GLY 88 6.075 -13.048 -5.747 593 HA3 GLY 88 HA3 GLY 88 7.218 -13.383 -7.032 594 H PHE 89 H PHE 89 6.796 -15.340 -4.039 595 HA PHE 89 HA PHE 89 5.653 -17.456 -5.721 596 HB2 PHE 89 HB2 PHE 89 8.205 -17.303 -4.452 597 HB3 PHE 89 HB3 PHE 89 7.252 -18.287 -3.359 598 HD1 PHE 89 HD1 PHE 89 8.394 -18.031 -6.875 599 HD2 PHE 89 HD2 PHE 89 6.807 -20.547 -3.848 600 HE1 PHE 89 HE1 PHE 89 8.792 -20.036 -8.332 601 HE2 PHE 89 HE2 PHE 89 7.204 -22.551 -5.305 602 HZ PHE 89 HZ PHE 89 8.192 -22.272 -7.530 603 H ALA 90 H ALA 90 6.238 -16.334 -2.313 604 HA ALA 90 HA ALA 90 4.918 -16.313 -0.537 605 HB1 ALA 90 HB1 ALA 90 3.165 -15.896 -2.735 606 HB2 ALA 90 HB2 ALA 90 2.351 -17.045 -1.645 607 HB3 ALA 90 HB3 ALA 90 2.897 -15.467 -1.028 608 H GLY 91 H GLY 91 6.367 -18.433 -0.465 609 HA2 GLY 91 HA2 GLY 91 4.556 -20.760 -0.229 610 HA3 GLY 91 HA3 GLY 91 6.259 -20.847 -0.631 611 H THR 92 H THR 92 7.768 -19.664 1.084 612 HA THR 92 HA THR 92 7.437 -21.032 3.511 613 HB THR 92 HB THR 92 9.376 -19.360 4.126 614 HG1 THR 92 HG1 THR 92 8.836 -17.756 2.538 615 HG21 THR 92 HG21 THR 92 9.405 -21.289 1.770 616 HG22 THR 92 HG22 THR 92 10.861 -20.359 2.197 617 HG23 THR 92 HG23 THR 92 10.152 -21.491 3.373 618 H ALA 93 H ALA 93 8.028 -19.289 5.568 619 HA ALA 93 HA ALA 93 5.908 -17.302 5.578 620 HB1 ALA 93 HB1 ALA 93 5.669 -19.932 6.777 621 HB2 ALA 93 HB2 ALA 93 5.651 -18.677 8.040 622 HB3 ALA 93 HB3 ALA 93 4.474 -18.614 6.706 623 H LEU 94 H LEU 94 7.218 -15.557 5.962 624 HA LEU 94 HA LEU 94 8.509 -14.176 7.106 625 HB2 LEU 94 HB2 LEU 94 7.368 -15.804 9.088 626 HB3 LEU 94 HB3 LEU 94 9.071 -15.706 9.491 627 HG LEU 94 HG LEU 94 8.327 -13.069 8.868 628 HD11 LEU 94 HD11 LEU 94 5.983 -13.617 8.983 629 HD12 LEU 94 HD12 LEU 94 6.205 -14.425 10.553 630 HD13 LEU 94 HD13 LEU 94 6.431 -12.664 10.418 631 HD21 LEU 94 HD21 LEU 94 8.411 -14.040 11.700 632 HD22 LEU 94 HD22 LEU 94 9.862 -14.187 10.681 633 HD23 LEU 94 HD23 LEU 94 9.132 -12.588 10.965 634 H GLY 95 H GLY 95 10.445 -13.927 6.132 635 HA2 GLY 95 HA2 GLY 95 12.613 -15.712 6.896 636 HA3 GLY 95 HA3 GLY 95 12.172 -15.728 5.200 637 H ALA 96 H ALA 96 13.706 -13.923 7.799 638 HA ALA 96 HA ALA 96 13.823 -11.384 6.835 639 HB1 ALA 96 HB1 ALA 96 16.098 -11.345 7.979 640 HB2 ALA 96 HB2 ALA 96 14.751 -11.951 8.973 641 HB3 ALA 96 HB3 ALA 96 15.903 -13.095 8.243 642 H TRP 97 H TRP 97 14.259 -10.660 4.814 643 HA TRP 97 HA TRP 97 15.308 -10.348 2.889 644 HB2 TRP 97 HB2 TRP 97 17.462 -11.448 4.580 645 HB3 TRP 97 HB3 TRP 97 17.723 -11.596 2.854 646 HD1 TRP 97 HD1 TRP 97 17.600 -9.130 1.448 647 HE1 TRP 97 HE1 TRP 97 18.396 -6.705 2.120 648 HE3 TRP 97 HE3 TRP 97 17.720 -9.989 6.459 649 HZ2 TRP 97 HZ2 TRP 97 18.973 -5.447 4.616 650 HZ3 TRP 97 HZ3 TRP 97 18.411 -8.109 7.943 651 HH2 TRP 97 HH2 TRP 97 19.024 -5.900 7.096 652 H LEU 98 H LEU 98 13.347 -12.025 2.595 653 HA LEU 98 HA LEU 98 13.953 -14.697 2.058 654 HB2 LEU 98 HB2 LEU 98 11.705 -12.848 1.709 655 HB3 LEU 98 HB3 LEU 98 11.773 -14.106 0.491 656 HG LEU 98 HG LEU 98 11.808 -14.628 3.475 657 HD11 LEU 98 HD11 LEU 98 9.610 -14.356 3.542 658 HD12 LEU 98 HD12 LEU 98 9.636 -13.794 1.853 659 HD13 LEU 98 HD13 LEU 98 9.400 -15.522 2.213 660 HD21 LEU 98 HD21 LEU 98 12.832 -16.451 2.364 661 HD22 LEU 98 HD22 LEU 98 11.160 -16.951 2.714 662 HD23 LEU 98 HD23 LEU 98 11.612 -16.446 1.068 663 H GLY 99 H GLY 99 13.911 -15.781 -0.106 664 HA2 GLY 99 HA2 GLY 99 14.578 -14.193 -2.414 665 HA3 GLY 99 HA3 GLY 99 15.953 -15.038 -1.732 666 H SER 100 H SER 100 16.237 -17.225 -2.137 667 HA SER 100 HA SER 100 13.970 -18.545 -3.413 668 HB2 SER 100 HB2 SER 100 16.878 -18.431 -4.231 669 HB3 SER 100 HB3 SER 100 15.942 -19.861 -4.620 670 HG SER 100 HG SER 100 14.697 -17.393 -5.228 671 HA PRO 101 HA PRO 101 14.815 -21.379 -0.170 672 HB2 PRO 101 HB2 PRO 101 12.735 -23.092 -0.624 673 HB3 PRO 101 HB3 PRO 101 12.578 -21.622 0.317 674 HG2 PRO 101 HG2 PRO 101 11.650 -22.168 -2.436 675 HG3 PRO 101 HG3 PRO 101 11.147 -20.897 -1.340 676 HD2 PRO 101 HD2 PRO 101 12.916 -20.629 -3.582 677 HD3 PRO 101 HD3 PRO 101 12.504 -19.386 -2.418 678 HA PRO 102 HA PRO 102 17.043 -24.516 -1.957 679 HB2 PRO 102 HB2 PRO 102 17.411 -26.222 0.146 680 HB3 PRO 102 HB3 PRO 102 18.375 -24.779 -0.098 681 HG2 PRO 102 HG2 PRO 102 16.207 -25.253 1.856 682 HG3 PRO 102 HG3 PRO 102 17.445 -24.013 1.869 683 HD2 PRO 102 HD2 PRO 102 14.692 -23.680 1.139 684 HD3 PRO 102 HD3 PRO 102 15.955 -22.470 1.042 685 H SER 103 H SER 103 16.892 -26.403 -3.128 686 HA SER 103 HA SER 103 14.252 -27.571 -2.831 687 HB2 SER 103 HB2 SER 103 15.262 -26.624 -5.072 688 HB3 SER 103 HB3 SER 103 16.157 -28.130 -5.122 689 HG SER 103 HG SER 103 13.794 -27.844 -6.097 690 H SER 104 H SER 104 17.676 -28.587 -3.562 691 HA SER 104 HA SER 104 18.755 -30.437 -3.179 692 HB2 SER 104 HB2 SER 104 17.130 -30.541 -0.599 693 HB3 SER 104 HB3 SER 104 18.661 -31.347 -0.879 694 HG SER 104 HG SER 104 18.806 -29.266 0.292 Start of MODEL 7 1 H MET 1 H1 MET 1 -3.097 -20.125 -3.951 2 HA MET 1 HA MET 1 -1.613 -17.968 -3.552 3 HB2 MET 1 HB2 MET 1 -0.108 -17.747 -5.526 4 HB3 MET 1 HB3 MET 1 0.325 -19.172 -4.603 5 HG2 MET 1 HG2 MET 1 -0.197 -20.578 -6.327 6 HG3 MET 1 HG3 MET 1 -1.729 -19.782 -6.625 7 HE1 MET 1 HE1 MET 1 0.265 -19.841 -10.032 8 HE2 MET 1 HE2 MET 1 -0.207 -21.004 -8.770 9 HE3 MET 1 HE3 MET 1 -1.416 -19.888 -9.448 10 H GLY 2 H GLY 2 -2.339 -16.115 -4.811 11 HA2 GLY 2 HA2 GLY 2 -4.916 -16.128 -5.659 12 HA3 GLY 2 HA3 GLY 2 -3.706 -14.983 -6.205 13 H LYS 3 H LYS 3 -5.734 -17.667 -7.076 14 HA LYS 3 HA LYS 3 -4.381 -18.752 -9.219 15 HB2 LYS 3 HB2 LYS 3 -6.436 -19.666 -8.205 16 HB3 LYS 3 HB3 LYS 3 -7.366 -18.340 -8.873 17 HG2 LYS 3 HG2 LYS 3 -7.249 -19.155 -11.046 18 HG3 LYS 3 HG3 LYS 3 -5.661 -19.860 -10.816 19 HD2 LYS 3 HD2 LYS 3 -7.393 -21.274 -9.046 20 HD3 LYS 3 HD3 LYS 3 -8.280 -21.117 -10.549 21 HE2 LYS 3 HE2 LYS 3 -6.657 -22.306 -11.795 22 HE3 LYS 3 HE3 LYS 3 -5.376 -21.967 -10.649 23 HZ1 LYS 3 HZ1 LYS 3 -6.566 -24.295 -10.673 24 HZ2 LYS 3 HZ2 LYS 3 -6.088 -23.648 -9.258 25 HZ3 LYS 3 HZ3 LYS 3 -7.647 -23.506 -9.733 26 H GLU 4 H GLU 4 -6.914 -16.142 -9.346 27 HA GLU 4 HA GLU 4 -5.329 -14.840 -11.356 28 HB2 GLU 4 HB2 GLU 4 -7.379 -14.672 -12.891 29 HB3 GLU 4 HB3 GLU 4 -6.567 -16.225 -12.846 30 HG2 GLU 4 HG2 GLU 4 -8.620 -17.107 -12.398 31 HG3 GLU 4 HG3 GLU 4 -8.392 -16.495 -10.772 32 H SER 5 H SER 5 -8.445 -14.986 -9.521 33 HA SER 5 HA SER 5 -7.982 -12.308 -8.654 34 HB2 SER 5 HB2 SER 5 -9.553 -12.649 -10.956 35 HB3 SER 5 HB3 SER 5 -10.738 -12.503 -9.673 36 HG SER 5 HG SER 5 -10.088 -10.449 -9.219 37 H GLY 6 H GLY 6 -7.895 -13.317 -6.562 38 HA2 GLY 6 HA2 GLY 6 -10.476 -13.728 -5.350 39 HA3 GLY 6 HA3 GLY 6 -9.523 -15.194 -5.476 40 H TRP 7 H TRP 7 -10.373 -13.295 -3.149 41 HA TRP 7 HA TRP 7 -7.666 -13.047 -2.027 42 HB2 TRP 7 HB2 TRP 7 -9.911 -11.096 -2.097 43 HB3 TRP 7 HB3 TRP 7 -8.982 -11.202 -0.615 44 HD1 TRP 7 HD1 TRP 7 -7.657 -11.296 -4.298 45 HE1 TRP 7 HE1 TRP 7 -5.810 -9.446 -4.658 46 HE3 TRP 7 HE3 TRP 7 -7.995 -9.303 0.368 47 HZ2 TRP 7 HZ2 TRP 7 -4.722 -7.403 -2.988 48 HZ3 TRP 7 HZ3 TRP 7 -6.505 -7.383 0.922 49 HH2 TRP 7 HH2 TRP 7 -4.910 -6.434 -0.668 50 H ASP 8 H ASP 8 -11.225 -13.285 -1.312 51 HA ASP 8 HA ASP 8 -12.330 -14.304 0.253 52 HB2 ASP 8 HB2 ASP 8 -10.105 -16.207 -0.387 53 HB3 ASP 8 HB3 ASP 8 -10.995 -16.550 1.083 54 H SER 9 H SER 9 -12.129 -12.760 1.989 55 HA SER 9 HA SER 9 -10.954 -13.658 4.299 56 HB2 SER 9 HB2 SER 9 -9.115 -12.182 2.566 57 HB3 SER 9 HB3 SER 9 -9.336 -11.343 4.089 58 HG SER 9 HG SER 9 -8.197 -12.851 5.097 59 H GLY 10 H GLY 10 -12.752 -12.950 5.430 60 HA2 GLY 10 HA2 GLY 10 -13.877 -10.330 4.885 61 HA3 GLY 10 HA3 GLY 10 -14.496 -11.561 5.968 62 H ARG 11 H ARG 11 -13.372 -11.907 8.084 63 HA ARG 11 HA ARG 11 -12.710 -9.377 9.170 64 HB2 ARG 11 HB2 ARG 11 -13.753 -11.819 10.145 65 HB3 ARG 11 HB3 ARG 11 -12.189 -11.688 10.924 66 HG2 ARG 11 HG2 ARG 11 -13.025 -9.139 11.304 67 HG3 ARG 11 HG3 ARG 11 -14.597 -9.902 11.181 68 HD2 ARG 11 HD2 ARG 11 -13.778 -11.607 12.934 69 HD3 ARG 11 HD3 ARG 11 -12.376 -10.581 13.162 70 HE ARG 11 HE ARG 11 -14.661 -8.909 13.364 71 HH11 ARG 11 HH22 ARG 11 -13.216 -11.619 15.130 72 HH12 ARG 11 HH21 ARG 11 -13.874 -11.137 16.658 73 HH21 ARG 11 HH12 ARG 11 -15.510 -8.293 15.354 74 HH22 ARG 11 HH11 ARG 11 -15.189 -9.227 16.779 75 H ALA 12 H ALA 12 -11.032 -12.591 8.846 76 HA ALA 12 HA ALA 12 -8.654 -12.073 9.979 77 HB1 ALA 12 HB1 ALA 12 -8.859 -13.413 7.268 78 HB2 ALA 12 HB2 ALA 12 -7.791 -13.821 8.632 79 HB3 ALA 12 HB3 ALA 12 -9.535 -14.158 8.736 80 H ALA 13 H ALA 13 -9.822 -10.916 6.780 81 HA ALA 13 HA ALA 13 -7.580 -9.964 5.646 82 HB1 ALA 13 HB1 ALA 13 -9.593 -7.917 5.462 83 HB2 ALA 13 HB2 ALA 13 -9.153 -9.156 4.263 84 HB3 ALA 13 HB3 ALA 13 -10.396 -9.506 5.488 85 H VAL 14 H VAL 14 -9.589 -8.139 8.070 86 HA VAL 14 HA VAL 14 -8.065 -5.911 8.291 87 HB VAL 14 HB VAL 14 -9.532 -7.480 10.416 88 HG11 VAL 14 HG11 VAL 14 -8.098 -6.063 11.648 89 HG12 VAL 14 HG12 VAL 14 -8.307 -4.715 10.505 90 HG13 VAL 14 HG13 VAL 14 -9.651 -5.197 11.568 91 HG21 VAL 14 HG21 VAL 14 -10.380 -5.046 8.810 92 HG22 VAL 14 HG22 VAL 14 -10.875 -6.721 8.469 93 HG23 VAL 14 HG23 VAL 14 -11.363 -5.942 9.993 94 H ALA 15 H ALA 15 -7.567 -9.076 9.978 95 HA ALA 15 HA ALA 15 -5.416 -8.333 11.529 96 HB1 ALA 15 HB1 ALA 15 -5.212 -11.034 10.391 97 HB2 ALA 15 HB2 ALA 15 -5.475 -10.524 12.076 98 HB3 ALA 15 HB3 ALA 15 -6.854 -10.646 10.958 99 H ALA 16 H ALA 16 -5.526 -9.491 8.105 100 HA ALA 16 HA ALA 16 -2.754 -9.569 7.746 101 HB1 ALA 16 HB1 ALA 16 -5.206 -9.786 6.163 102 HB2 ALA 16 HB2 ALA 16 -3.906 -8.964 5.268 103 HB3 ALA 16 HB3 ALA 16 -3.633 -10.589 5.939 104 H VAL 17 H VAL 17 -5.130 -6.932 7.768 105 HA VAL 17 HA VAL 17 -3.325 -5.082 6.513 106 HB VAL 17 HB VAL 17 -5.974 -4.722 7.929 107 HG11 VAL 17 HG11 VAL 17 -5.514 -2.643 6.064 108 HG12 VAL 17 HG12 VAL 17 -5.603 -2.525 7.838 109 HG13 VAL 17 HG13 VAL 17 -4.033 -2.786 7.041 110 HG21 VAL 17 HG21 VAL 17 -6.619 -5.898 6.080 111 HG22 VAL 17 HG22 VAL 17 -6.552 -4.274 5.354 112 HG23 VAL 17 HG23 VAL 17 -5.196 -5.405 5.129 113 H VAL 18 H VAL 18 -3.906 -6.378 9.697 114 HA VAL 18 HA VAL 18 -2.961 -4.096 11.122 115 HB VAL 18 HB VAL 18 -3.372 -6.995 11.874 116 HG11 VAL 18 HG11 VAL 18 -3.169 -4.814 13.920 117 HG12 VAL 18 HG12 VAL 18 -2.830 -6.555 14.067 118 HG13 VAL 18 HG13 VAL 18 -1.671 -5.490 13.234 119 HG21 VAL 18 HG21 VAL 18 -5.220 -5.531 13.258 120 HG22 VAL 18 HG22 VAL 18 -5.113 -4.613 11.737 121 HG23 VAL 18 HG23 VAL 18 -5.526 -6.344 11.705 122 H GLY 19 H GLY 19 -1.572 -7.387 10.425 123 HA2 GLY 19 HA2 GLY 19 0.935 -7.033 11.458 124 HA3 GLY 19 HA3 GLY 19 0.556 -8.027 10.065 125 H GLY 20 H GLY 20 2.303 -5.317 11.169 126 HA2 GLY 20 HA2 GLY 20 3.972 -4.458 9.665 127 HA3 GLY 20 HA3 GLY 20 2.777 -4.450 8.383 128 H VAL 21 H VAL 21 1.812 -3.511 11.662 129 HA VAL 21 HA VAL 21 0.653 -1.159 10.962 130 HB VAL 21 HB VAL 21 0.426 -2.364 13.101 131 HG11 VAL 21 HG11 VAL 21 2.869 -2.767 13.454 132 HG12 VAL 21 HG12 VAL 21 3.048 -1.049 13.883 133 HG13 VAL 21 HG13 VAL 21 2.033 -2.115 14.884 134 HG21 VAL 21 HG21 VAL 21 0.538 -0.207 14.569 135 HG22 VAL 21 HG22 VAL 21 0.985 0.594 13.044 136 HG23 VAL 21 HG23 VAL 21 -0.569 -0.264 13.177 137 H VAL 22 H VAL 22 4.047 -1.649 12.149 138 HA VAL 22 HA VAL 22 4.839 0.970 12.151 139 HB VAL 22 HB VAL 22 6.310 -1.583 11.504 140 HG11 VAL 22 HG11 VAL 22 7.926 -0.252 10.660 141 HG12 VAL 22 HG12 VAL 22 7.244 1.219 11.395 142 HG13 VAL 22 HG13 VAL 22 8.258 0.126 12.367 143 HG21 VAL 22 HG21 VAL 22 6.910 -1.660 13.756 144 HG22 VAL 22 HG22 VAL 22 6.575 0.070 14.010 145 HG23 VAL 22 HG23 VAL 22 5.228 -1.077 13.816 146 H ALA 23 H ALA 23 4.891 -1.393 9.400 147 HA ALA 23 HA ALA 23 6.010 0.313 7.531 148 HB1 ALA 23 HB1 ALA 23 4.573 -2.240 7.615 149 HB2 ALA 23 HB2 ALA 23 4.228 -1.318 6.132 150 HB3 ALA 23 HB3 ALA 23 5.908 -1.720 6.560 151 H VAL 24 H VAL 24 2.680 0.034 8.793 152 HA VAL 24 HA VAL 24 1.525 1.651 6.768 153 HB VAL 24 HB VAL 24 0.553 1.014 9.561 154 HG11 VAL 24 HG11 VAL 24 -0.595 2.478 7.283 155 HG12 VAL 24 HG12 VAL 24 -1.649 1.190 7.914 156 HG13 VAL 24 HG13 VAL 24 -1.064 2.473 9.001 157 HG21 VAL 24 HG21 VAL 24 0.223 -1.096 8.924 158 HG22 VAL 24 HG22 VAL 24 -0.727 -0.548 7.522 159 HG23 VAL 24 HG23 VAL 24 1.036 -0.746 7.380 160 H GLY 25 H GLY 25 3.246 2.221 9.815 161 HA2 GLY 25 HA2 GLY 25 2.357 4.885 10.230 162 HA3 GLY 25 HA3 GLY 25 3.765 4.111 10.929 163 H THR 26 H THR 26 5.457 3.507 8.900 164 HA THR 26 HA THR 26 6.530 5.994 8.190 165 HB THR 26 HB THR 26 7.004 3.096 7.364 166 HG1 THR 26 HG1 THR 26 8.389 5.224 8.842 167 HG21 THR 26 HG21 THR 26 7.986 4.118 5.478 168 HG22 THR 26 HG22 THR 26 8.272 5.650 6.338 169 HG23 THR 26 HG23 THR 26 9.315 4.243 6.655 170 H VAL 27 H VAL 27 4.609 3.606 6.278 171 HA VAL 27 HA VAL 27 4.769 4.929 3.858 172 HB VAL 27 HB VAL 27 2.834 3.050 5.154 173 HG11 VAL 27 HG11 VAL 27 1.760 2.961 2.766 174 HG12 VAL 27 HG12 VAL 27 1.224 4.191 3.936 175 HG13 VAL 27 HG13 VAL 27 2.361 4.632 2.639 176 HG21 VAL 27 HG21 VAL 27 3.672 1.474 3.620 177 HG22 VAL 27 HG22 VAL 27 4.326 2.732 2.544 178 HG23 VAL 27 HG23 VAL 27 5.100 2.414 4.115 179 H LEU 28 H LEU 28 2.131 5.137 6.357 180 HA LEU 28 HA LEU 28 0.666 7.103 5.144 181 HB2 LEU 28 HB2 LEU 28 0.233 5.680 7.242 182 HB3 LEU 28 HB3 LEU 28 1.063 6.949 8.121 183 HG LEU 28 HG LEU 28 -1.081 7.913 6.334 184 HD11 LEU 28 HD11 LEU 28 -2.623 6.406 6.898 185 HD12 LEU 28 HD12 LEU 28 -1.592 5.697 8.164 186 HD13 LEU 28 HD13 LEU 28 -2.583 7.132 8.522 187 HD21 LEU 28 HD21 LEU 28 0.295 8.706 8.733 188 HD22 LEU 28 HD22 LEU 28 -0.762 9.658 7.664 189 HD23 LEU 28 HD23 LEU 28 -1.464 8.724 9.007 190 H VAL 29 H VAL 29 3.150 7.627 7.752 191 HA VAL 29 HA VAL 29 3.212 10.315 7.763 192 HB VAL 29 HB VAL 29 5.477 8.326 7.942 193 HG11 VAL 29 HG11 VAL 29 6.628 10.318 7.501 194 HG12 VAL 29 HG12 VAL 29 5.456 11.310 8.402 195 HG13 VAL 29 HG13 VAL 29 6.582 10.246 9.279 196 HG21 VAL 29 HG21 VAL 29 4.843 7.976 10.063 197 HG22 VAL 29 HG22 VAL 29 4.625 9.715 10.373 198 HG23 VAL 29 HG23 VAL 29 3.314 8.774 9.622 199 H ALA 30 H ALA 30 4.559 8.127 5.270 200 HA ALA 30 HA ALA 30 6.042 10.071 3.903 201 HB1 ALA 30 HB1 ALA 30 5.445 7.308 3.705 202 HB2 ALA 30 HB2 ALA 30 4.954 8.033 2.155 203 HB3 ALA 30 HB3 ALA 30 6.621 8.236 2.744 204 H LEU 31 H LEU 31 2.725 8.717 3.271 205 HA LEU 31 HA LEU 31 2.164 10.500 1.192 206 HB2 LEU 31 HB2 LEU 31 0.916 8.344 2.546 207 HB3 LEU 31 HB3 LEU 31 -0.212 9.685 2.566 208 HG LEU 31 HG LEU 31 -0.650 8.309 0.647 209 HD11 LEU 31 HD11 LEU 31 -1.125 10.071 -0.625 210 HD12 LEU 31 HD12 LEU 31 -0.201 11.053 0.538 211 HD13 LEU 31 HD13 LEU 31 0.595 10.417 -0.922 212 HD21 LEU 31 HD21 LEU 31 0.955 7.159 -0.358 213 HD22 LEU 31 HD22 LEU 31 1.610 8.673 -1.028 214 HD23 LEU 31 HD23 LEU 31 2.200 8.064 0.537 215 H SER 32 H SER 32 0.686 10.502 4.514 216 HA SER 32 HA SER 32 -0.455 12.902 4.419 217 HB2 SER 32 HB2 SER 32 0.161 11.043 6.411 218 HB3 SER 32 HB3 SER 32 0.951 12.497 6.985 219 HG SER 32 HG SER 32 -1.546 11.961 7.368 220 H ALA 33 H ALA 33 2.839 12.403 5.904 221 HA ALA 33 HA ALA 33 3.405 15.194 5.744 222 HB1 ALA 33 HB1 ALA 33 4.226 13.230 7.374 223 HB2 ALA 33 HB2 ALA 33 5.544 13.142 6.182 224 HB3 ALA 33 HB3 ALA 33 5.228 14.664 7.049 225 H MET 34 H MET 34 6.036 15.360 4.883 226 HA MET 34 HA MET 34 6.568 14.032 2.521 227 HB2 MET 34 HB2 MET 34 4.460 15.619 2.006 228 HB3 MET 34 HB3 MET 34 5.675 16.880 1.934 229 HG2 MET 34 HG2 MET 34 5.514 16.122 -0.316 230 HG3 MET 34 HG3 MET 34 6.958 15.331 0.284 231 HE1 MET 34 HE1 MET 34 3.794 14.137 -1.888 232 HE2 MET 34 HE2 MET 34 2.823 13.730 -0.453 233 HE3 MET 34 HE3 MET 34 3.500 15.366 -0.635 234 H GLY 35 H GLY 35 6.756 17.126 4.351 235 HA2 GLY 35 HA2 GLY 35 9.673 17.072 3.975 236 HA3 GLY 35 HA3 GLY 35 8.781 18.528 3.582 237 H PHE 36 H PHE 36 7.225 19.354 5.382 238 HA PHE 36 HA PHE 36 7.849 18.561 8.044 239 HB2 PHE 36 HB2 PHE 36 8.825 20.860 8.598 240 HB3 PHE 36 HB3 PHE 36 9.861 19.912 7.550 241 HD1 PHE 36 HD2 PHE 36 9.776 20.378 5.044 242 HD2 PHE 36 HD1 PHE 36 8.066 22.978 7.929 243 HE1 PHE 36 HE2 PHE 36 9.796 22.248 3.370 244 HE2 PHE 36 HE1 PHE 36 8.086 24.848 6.255 245 HZ PHE 36 HZ PHE 36 8.951 24.461 3.995 246 H THR 37 H THR 37 5.452 18.733 6.476 247 HA THR 37 HA THR 37 4.059 20.803 8.021 248 HB THR 37 HB THR 37 2.696 21.219 5.892 249 HG1 THR 37 HG1 THR 37 3.206 19.644 4.414 250 HG21 THR 37 HG21 THR 37 4.916 22.538 6.607 251 HG22 THR 37 HG22 THR 37 5.607 21.693 5.201 252 HG23 THR 37 HG23 THR 37 4.214 22.781 4.989 253 H SER 38 H SER 38 2.446 19.992 9.199 254 HA SER 38 HA SER 38 0.507 18.365 8.350 255 HB2 SER 38 HB2 SER 38 2.929 16.829 8.591 256 HB3 SER 38 HB3 SER 38 1.847 16.310 9.869 257 HG SER 38 HG SER 38 0.658 16.647 7.320 258 H VAL 39 H VAL 39 2.809 19.225 10.923 259 HA VAL 39 HA VAL 39 1.187 18.458 13.097 260 HB VAL 39 HB VAL 39 3.449 20.438 12.796 261 HG11 VAL 39 HG11 VAL 39 2.978 19.395 15.489 262 HG12 VAL 39 HG12 VAL 39 3.274 21.063 14.942 263 HG13 VAL 39 HG13 VAL 39 1.628 20.387 14.889 264 HG21 VAL 39 HG21 VAL 39 4.068 18.114 12.341 265 HG22 VAL 39 HG22 VAL 39 4.791 18.672 13.869 266 HG23 VAL 39 HG23 VAL 39 3.364 17.608 13.896 267 H GLY 40 H GLY 40 2.130 21.884 12.579 268 HA2 GLY 40 HA2 GLY 40 0.066 23.109 13.768 269 HA3 GLY 40 HA3 GLY 40 0.862 23.750 12.344 270 H ILE 41 H ILE 41 0.096 22.098 10.272 271 HA ILE 41 HA ILE 41 -2.390 23.026 9.600 272 HB ILE 41 HB ILE 41 -0.424 21.786 8.307 273 HG12 ILE 41 HG12 ILE 41 -2.477 23.144 7.502 274 HG13 ILE 41 HG13 ILE 41 -1.680 22.055 6.383 275 HG21 ILE 41 HG21 ILE 41 -2.520 19.632 8.689 276 HG22 ILE 41 HG22 ILE 41 -1.224 19.594 7.469 277 HG23 ILE 41 HG23 ILE 41 -0.817 19.581 9.202 278 HD11 ILE 41 HD11 ILE 41 -3.406 20.453 6.486 279 HD12 ILE 41 HD12 ILE 41 -3.980 21.033 8.067 280 HD13 ILE 41 HD13 ILE 41 -4.304 21.986 6.599 281 H ALA 42 H ALA 42 -1.503 19.803 11.004 282 HA ALA 42 HA ALA 42 -4.076 18.770 11.049 283 HB1 ALA 42 HB1 ALA 42 -3.041 17.414 13.024 284 HB2 ALA 42 HB2 ALA 42 -2.310 17.263 11.408 285 HB3 ALA 42 HB3 ALA 42 -1.546 18.299 12.636 286 H ALA 43 H ALA 43 -2.393 21.073 13.193 287 HA ALA 43 HA ALA 43 -4.280 20.898 15.298 288 HB1 ALA 43 HB1 ALA 43 -2.923 22.448 16.317 289 HB2 ALA 43 HB2 ALA 43 -1.785 21.884 15.070 290 HB3 ALA 43 HB3 ALA 43 -2.697 23.392 14.825 291 H SER 44 H SER 44 -4.058 22.662 12.219 292 HA SER 44 HA SER 44 -6.035 24.548 12.915 293 HB2 SER 44 HB2 SER 44 -4.246 24.055 10.728 294 HB3 SER 44 HB3 SER 44 -5.861 24.145 10.054 295 HG SER 44 HG SER 44 -6.081 26.240 10.698 296 H SER 45 H SER 45 -5.951 21.373 11.219 297 HA SER 45 HA SER 45 -8.554 21.456 10.279 298 HB2 SER 45 HB2 SER 45 -6.525 19.799 9.834 299 HB3 SER 45 HB3 SER 45 -7.248 18.866 11.128 300 HG SER 45 HG SER 45 -9.143 18.599 9.933 301 H ILE 46 H ILE 46 -7.155 19.822 13.219 302 HA ILE 46 HA ILE 46 -9.582 18.942 14.238 303 HB ILE 46 HB ILE 46 -8.381 18.653 16.321 304 HG12 ILE 46 HG12 ILE 46 -6.165 20.289 15.049 305 HG13 ILE 46 HG13 ILE 46 -7.198 20.813 16.364 306 HG21 ILE 46 HG21 ILE 46 -7.068 16.958 15.567 307 HG22 ILE 46 HG22 ILE 46 -7.935 17.320 14.055 308 HG23 ILE 46 HG23 ILE 46 -6.293 17.956 14.314 309 HD11 ILE 46 HD11 ILE 46 -6.197 18.280 17.173 310 HD12 ILE 46 HD12 ILE 46 -4.813 19.149 16.468 311 HD13 ILE 46 HD13 ILE 46 -5.730 19.875 17.810 312 H ALA 47 H ALA 47 -7.775 22.030 14.726 313 HA ALA 47 HA ALA 47 -9.494 23.080 16.654 314 HB1 ALA 47 HB1 ALA 47 -7.632 24.305 14.592 315 HB2 ALA 47 HB2 ALA 47 -8.516 25.285 15.787 316 HB3 ALA 47 HB3 ALA 47 -7.344 24.061 16.332 317 H ALA 48 H ALA 48 -9.719 22.787 13.119 318 HA ALA 48 HA ALA 48 -11.759 24.718 12.795 319 HB1 ALA 48 HB1 ALA 48 -11.035 24.322 10.701 320 HB2 ALA 48 HB2 ALA 48 -10.244 22.808 11.201 321 HB3 ALA 48 HB3 ALA 48 -11.964 22.804 10.741 322 H LYS 49 H LYS 49 -11.907 21.085 12.604 323 HA LYS 49 HA LYS 49 -13.540 19.668 13.047 324 HB2 LYS 49 HB2 LYS 49 -13.053 20.607 15.349 325 HB3 LYS 49 HB3 LYS 49 -14.461 21.632 15.159 326 HG2 LYS 49 HG2 LYS 49 -15.380 19.072 14.409 327 HG3 LYS 49 HG3 LYS 49 -14.319 18.757 15.767 328 HD2 LYS 49 HD2 LYS 49 -15.608 20.800 16.885 329 HD3 LYS 49 HD3 LYS 49 -16.831 20.445 15.681 330 HE2 LYS 49 HE2 LYS 49 -15.931 17.965 16.929 331 HE3 LYS 49 HE3 LYS 49 -16.409 19.110 18.166 332 HZ1 LYS 49 HZ1 LYS 49 -18.535 18.693 17.635 333 HZ2 LYS 49 HZ2 LYS 49 -18.316 19.218 16.109 334 HZ3 LYS 49 HZ3 LYS 49 -18.030 17.650 16.479 335 H MET 50 H MET 50 -14.241 20.386 10.794 336 HA MET 50 HA MET 50 -16.975 20.557 10.742 337 HB2 MET 50 HB2 MET 50 -16.051 23.039 11.411 338 HB3 MET 50 HB3 MET 50 -15.898 23.172 9.670 339 HG2 MET 50 HG2 MET 50 -18.140 23.463 9.434 340 HG3 MET 50 HG3 MET 50 -18.475 21.978 10.303 341 HE1 MET 50 HE1 MET 50 -19.094 26.170 11.726 342 HE2 MET 50 HE2 MET 50 -17.762 25.818 10.599 343 HE3 MET 50 HE3 MET 50 -19.431 25.368 10.174 344 H MET 51 H MET 51 -14.251 22.097 8.871 345 HA MET 51 HA MET 51 -13.559 21.836 6.828 346 HB2 MET 51 HB2 MET 51 -14.662 19.057 7.418 347 HB3 MET 51 HB3 MET 51 -14.012 19.401 5.827 348 HG2 MET 51 HG2 MET 51 -12.183 20.402 7.871 349 HG3 MET 51 HG3 MET 51 -12.553 18.718 8.184 350 HE1 MET 51 HE1 MET 51 -11.476 16.625 6.273 351 HE2 MET 51 HE2 MET 51 -13.118 17.289 6.097 352 HE3 MET 51 HE3 MET 51 -12.051 17.166 4.677 353 H SER 52 H SER 52 -15.133 23.473 6.115 354 HA SER 52 HA SER 52 -17.528 22.412 4.918 355 HB2 SER 52 HB2 SER 52 -16.546 25.080 5.795 356 HB3 SER 52 HB3 SER 52 -17.520 25.111 4.339 357 HG SER 52 HG SER 52 -19.285 24.337 5.429 358 H THR 53 H THR 53 -17.059 21.393 2.966 359 HA THR 53 HA THR 53 -15.990 23.091 0.867 360 HB THR 53 HB THR 53 -14.192 21.561 0.298 361 HG1 THR 53 HG1 THR 53 -15.364 19.999 2.492 362 HG21 THR 53 HG21 THR 53 -13.711 23.000 2.359 363 HG22 THR 53 HG22 THR 53 -14.235 21.624 3.358 364 HG23 THR 53 HG23 THR 53 -12.804 21.469 2.312 365 H ALA 54 H ALA 54 -16.920 22.721 -1.092 366 HA ALA 54 HA ALA 54 -19.125 20.869 -1.072 367 HB1 ALA 54 HB1 ALA 54 -19.129 21.924 -3.559 368 HB2 ALA 54 HB2 ALA 54 -19.786 22.784 -2.146 369 HB3 ALA 54 HB3 ALA 54 -18.146 23.154 -2.729 370 H ALA 55 H ALA 55 -16.279 21.468 -3.265 371 HA ALA 55 HA ALA 55 -14.950 20.036 -4.325 372 HB1 ALA 55 HB1 ALA 55 -16.096 17.492 -3.419 373 HB2 ALA 55 HB2 ALA 55 -14.445 18.130 -3.229 374 HB3 ALA 55 HB3 ALA 55 -15.715 18.588 -2.069 375 H ILE 56 H ILE 56 -15.245 17.848 -5.832 376 HA ILE 56 HA ILE 56 -17.779 18.302 -7.250 377 HB ILE 56 HB ILE 56 -16.317 19.174 -8.739 378 HG12 ILE 56 HG12 ILE 56 -15.869 16.277 -9.473 379 HG13 ILE 56 HG13 ILE 56 -17.437 17.043 -9.628 380 HG21 ILE 56 HG21 ILE 56 -14.334 18.846 -7.297 381 HG22 ILE 56 HG22 ILE 56 -14.178 17.188 -7.927 382 HG23 ILE 56 HG23 ILE 56 -13.993 18.577 -9.024 383 HD11 ILE 56 HD11 ILE 56 -16.779 18.367 -11.399 384 HD12 ILE 56 HD12 ILE 56 -15.126 18.565 -10.771 385 HD13 ILE 56 HD13 ILE 56 -15.584 17.065 -11.612 386 H ALA 57 H ALA 57 -15.222 15.979 -6.245 387 HA ALA 57 HA ALA 57 -17.208 13.933 -5.999 388 HB1 ALA 57 HB1 ALA 57 -16.061 12.365 -7.568 389 HB2 ALA 57 HB2 ALA 57 -16.791 13.760 -8.399 390 HB3 ALA 57 HB3 ALA 57 -15.034 13.710 -8.119 391 H ASN 58 H ASN 58 -15.786 15.168 -4.019 392 HA ASN 58 HA ASN 58 -14.606 13.103 -2.729 393 HB2 ASN 58 HB2 ASN 58 -12.145 13.911 -2.766 394 HB3 ASN 58 HB3 ASN 58 -12.698 13.065 -4.197 395 HD21 ASN 58 HD21 ASN 58 -10.592 15.114 -3.714 396 HD22 ASN 58 HD22 ASN 58 -10.878 16.385 -4.855 397 H GLY 59 H GLY 59 -15.770 14.139 -0.999 398 HA2 GLY 59 HA2 GLY 59 -15.371 16.925 -0.400 399 HA3 GLY 59 HA3 GLY 59 -16.318 15.757 0.499 400 H GLY 60 H GLY 60 -15.251 14.319 2.048 401 HA2 GLY 60 HA2 GLY 60 -12.552 15.255 2.819 402 HA3 GLY 60 HA3 GLY 60 -13.836 14.998 3.983 403 H GLY 61 H GLY 61 -13.975 13.013 4.951 404 HA2 GLY 61 HA2 GLY 61 -12.105 10.989 4.369 405 HA3 GLY 61 HA3 GLY 61 -13.489 10.872 5.438 406 H VAL 62 H VAL 62 -12.341 8.943 3.382 407 HA VAL 62 HA VAL 62 -13.110 7.446 1.951 408 HB VAL 62 HB VAL 62 -15.802 8.561 2.762 409 HG11 VAL 62 HG11 VAL 62 -15.605 5.774 1.781 410 HG12 VAL 62 HG12 VAL 62 -16.869 7.000 1.521 411 HG13 VAL 62 HG13 VAL 62 -15.379 7.037 0.548 412 HG21 VAL 62 HG21 VAL 62 -13.935 6.551 3.932 413 HG22 VAL 62 HG22 VAL 62 -15.067 7.669 4.729 414 HG23 VAL 62 HG23 VAL 62 -15.674 6.174 3.977 415 H ALA 63 H ALA 63 -12.949 7.455 -0.244 416 HA ALA 63 HA ALA 63 -12.975 8.187 -2.330 417 HB1 ALA 63 HB1 ALA 63 -15.349 8.075 -2.299 418 HB2 ALA 63 HB2 ALA 63 -15.486 9.531 -1.285 419 HB3 ALA 63 HB3 ALA 63 -14.972 9.674 -2.983 420 H ALA 64 H ALA 64 -10.978 9.262 -2.298 421 HA ALA 64 HA ALA 64 -11.077 12.103 -1.587 422 HB1 ALA 64 HB1 ALA 64 -9.384 10.270 -0.662 423 HB2 ALA 64 HB2 ALA 64 -8.537 10.615 -2.189 424 HB3 ALA 64 HB3 ALA 64 -8.839 11.926 -1.023 425 H GLY 65 H GLY 65 -8.733 12.812 -3.141 426 HA2 GLY 65 HA2 GLY 65 -9.783 12.499 -5.889 427 HA3 GLY 65 HA3 GLY 65 -9.269 14.044 -5.242 428 H SER 66 H SER 66 -7.051 14.557 -5.070 429 HA SER 66 HA SER 66 -5.363 13.472 -6.855 430 HB2 SER 66 HB2 SER 66 -5.245 15.468 -4.897 431 HB3 SER 66 HB3 SER 66 -3.954 14.380 -4.426 432 HG SER 66 HG SER 66 -3.089 14.546 -6.601 433 H LEU 67 H LEU 67 -5.690 12.628 -3.345 434 HA LEU 67 HA LEU 67 -3.636 10.911 -3.021 435 HB2 LEU 67 HB2 LEU 67 -5.634 11.675 -1.495 436 HB3 LEU 67 HB3 LEU 67 -6.340 10.150 -1.993 437 HG LEU 67 HG LEU 67 -3.576 10.320 -0.781 438 HD11 LEU 67 HD11 LEU 67 -4.728 11.190 0.997 439 HD12 LEU 67 HD12 LEU 67 -6.249 10.375 0.561 440 HD13 LEU 67 HD13 LEU 67 -4.926 9.449 1.309 441 HD21 LEU 67 HD21 LEU 67 -5.498 8.114 -1.443 442 HD22 LEU 67 HD22 LEU 67 -3.747 8.233 -1.742 443 HD23 LEU 67 HD23 LEU 67 -4.350 7.916 -0.097 444 H VAL 68 H VAL 68 -6.781 10.246 -4.658 445 HA VAL 68 HA VAL 68 -6.614 7.575 -5.030 446 HB VAL 68 HB VAL 68 -7.442 9.630 -7.089 447 HG11 VAL 68 HG11 VAL 68 -8.411 7.984 -8.294 448 HG12 VAL 68 HG12 VAL 68 -7.246 6.933 -7.452 449 HG13 VAL 68 HG13 VAL 68 -8.915 7.077 -6.847 450 HG21 VAL 68 HG21 VAL 68 -9.089 10.237 -5.716 451 HG22 VAL 68 HG22 VAL 68 -9.665 8.553 -5.661 452 HG23 VAL 68 HG23 VAL 68 -8.474 9.126 -4.468 453 H ALA 69 H ALA 69 -5.089 10.114 -7.134 454 HA ALA 69 HA ALA 69 -3.878 8.417 -8.921 455 HB1 ALA 69 HB1 ALA 69 -2.112 10.421 -8.872 456 HB2 ALA 69 HB2 ALA 69 -3.754 10.643 -9.522 457 HB3 ALA 69 HB3 ALA 69 -3.371 11.181 -7.870 458 H ILE 70 H ILE 70 -2.761 9.533 -5.674 459 HA ILE 70 HA ILE 70 -0.233 8.363 -5.813 460 HB ILE 70 HB ILE 70 -2.018 9.050 -3.480 461 HG12 ILE 70 HG12 ILE 70 0.431 10.592 -4.201 462 HG13 ILE 70 HG13 ILE 70 -0.963 10.769 -5.248 463 HG21 ILE 70 HG21 ILE 70 -0.278 8.672 -1.987 464 HG22 ILE 70 HG22 ILE 70 -0.186 7.269 -3.080 465 HG23 ILE 70 HG23 ILE 70 0.953 8.624 -3.271 466 HD11 ILE 70 HD11 ILE 70 -2.101 11.990 -3.703 467 HD12 ILE 70 HD12 ILE 70 -1.705 10.849 -2.396 468 HD13 ILE 70 HD13 ILE 70 -0.548 12.125 -2.844 469 H LEU 71 H LEU 71 -3.370 7.124 -4.482 470 HA LEU 71 HA LEU 71 -2.390 4.677 -3.633 471 HB2 LEU 71 HB2 LEU 71 -4.795 6.007 -3.624 472 HB3 LEU 71 HB3 LEU 71 -5.123 4.660 -4.696 473 HG LEU 71 HG LEU 71 -5.759 4.122 -2.418 474 HD11 LEU 71 HD11 LEU 71 -5.258 2.022 -2.914 475 HD12 LEU 71 HD12 LEU 71 -3.991 2.576 -4.035 476 HD13 LEU 71 HD13 LEU 71 -3.597 2.274 -2.326 477 HD21 LEU 71 HD21 LEU 71 -3.367 3.767 -1.016 478 HD22 LEU 71 HD22 LEU 71 -3.227 5.373 -1.771 479 HD23 LEU 71 HD23 LEU 71 -4.619 4.999 -0.726 480 H GLN 72 H GLN 72 -3.362 5.851 -6.864 481 HA GLN 72 HA GLN 72 -3.537 3.380 -8.082 482 HB2 GLN 72 HB2 GLN 72 -3.642 6.128 -8.845 483 HB3 GLN 72 HB3 GLN 72 -2.458 5.377 -9.897 484 HG2 GLN 72 HG2 GLN 72 -4.101 3.591 -10.487 485 HG3 GLN 72 HG3 GLN 72 -5.285 4.317 -9.417 486 HE21 GLN 72 HE21 GLN 72 -6.084 6.423 -9.869 487 HE22 GLN 72 HE22 GLN 72 -6.126 7.046 -11.484 488 H SER 73 H SER 73 -0.764 5.744 -8.160 489 HA SER 73 HA SER 73 0.960 3.898 -9.336 490 HB2 SER 73 HB2 SER 73 1.054 6.643 -8.353 491 HB3 SER 73 HB3 SER 73 2.519 5.795 -7.902 492 HG SER 73 HG SER 73 3.171 5.820 -9.942 493 H VAL 74 H VAL 74 1.233 5.372 -6.015 494 HA VAL 74 HA VAL 74 3.040 3.725 -4.930 495 HB VAL 74 HB VAL 74 0.524 4.850 -3.692 496 HG11 VAL 74 HG11 VAL 74 1.025 3.505 -1.950 497 HG12 VAL 74 HG12 VAL 74 2.677 3.192 -2.532 498 HG13 VAL 74 HG13 VAL 74 2.318 4.688 -1.638 499 HG21 VAL 74 HG21 VAL 74 2.758 6.260 -2.792 500 HG22 VAL 74 HG22 VAL 74 3.078 5.983 -4.521 501 HG23 VAL 74 HG23 VAL 74 1.578 6.796 -4.013 502 H GLY 75 H GLY 75 -0.428 3.000 -5.515 503 HA2 GLY 75 HA2 GLY 75 -0.584 0.600 -4.090 504 HA3 GLY 75 HA3 GLY 75 -1.576 1.070 -5.456 505 H ALA 76 H ALA 76 -0.038 1.133 -7.654 506 HA ALA 76 HA ALA 76 0.533 -1.598 -8.109 507 HB1 ALA 76 HB1 ALA 76 1.657 0.035 -10.156 508 HB2 ALA 76 HB2 ALA 76 0.108 -0.842 -10.179 509 HB3 ALA 76 HB3 ALA 76 0.169 0.841 -9.603 510 H ALA 77 H ALA 77 2.735 1.264 -8.534 511 HA ALA 77 HA ALA 77 5.083 -0.011 -8.688 512 HB1 ALA 77 HB1 ALA 77 4.210 2.600 -7.481 513 HB2 ALA 77 HB2 ALA 77 5.904 2.093 -7.284 514 HB3 ALA 77 HB3 ALA 77 5.219 2.291 -8.915 515 H GLY 78 H GLY 78 3.328 0.811 -5.628 516 HA2 GLY 78 HA2 GLY 78 5.223 -0.131 -3.826 517 HA3 GLY 78 HA3 GLY 78 3.495 -0.036 -3.554 518 H LEU 79 H LEU 79 2.155 -1.859 -4.732 519 HA LEU 79 HA LEU 79 2.710 -4.252 -3.635 520 HB2 LEU 79 HB2 LEU 79 0.703 -3.288 -5.063 521 HB3 LEU 79 HB3 LEU 79 1.462 -4.211 -6.345 522 HG LEU 79 HG LEU 79 0.938 -5.583 -3.737 523 HD11 LEU 79 HD11 LEU 79 -1.353 -6.169 -5.050 524 HD12 LEU 79 HD12 LEU 79 -1.213 -4.917 -3.792 525 HD13 LEU 79 HD13 LEU 79 -1.146 -4.462 -5.512 526 HD21 LEU 79 HD21 LEU 79 1.016 -7.520 -4.955 527 HD22 LEU 79 HD22 LEU 79 0.427 -6.745 -6.445 528 HD23 LEU 79 HD23 LEU 79 2.108 -6.494 -5.916 529 H SER 80 H SER 80 4.110 -2.853 -6.597 530 HA SER 80 HA SER 80 5.165 -5.206 -7.605 531 HB2 SER 80 HB2 SER 80 6.519 -2.503 -7.882 532 HB3 SER 80 HB3 SER 80 6.455 -3.807 -9.051 533 HG SER 80 HG SER 80 4.462 -1.880 -8.369 534 H VAL 81 H VAL 81 7.033 -2.510 -6.017 535 HA VAL 81 HA VAL 81 9.320 -3.941 -5.553 536 HB VAL 81 HB VAL 81 9.144 -1.539 -5.358 537 HG11 VAL 81 HG11 VAL 81 8.165 -0.635 -3.132 538 HG12 VAL 81 HG12 VAL 81 7.044 -1.073 -4.444 539 HG13 VAL 81 HG13 VAL 81 7.284 -2.180 -3.071 540 HG21 VAL 81 HG21 VAL 81 10.715 -3.129 -3.827 541 HG22 VAL 81 HG22 VAL 81 10.815 -1.352 -3.836 542 HG23 VAL 81 HG23 VAL 81 9.895 -2.185 -2.560 543 H THR 82 H THR 82 6.200 -4.060 -3.891 544 HA THR 82 HA THR 82 7.101 -5.222 -1.489 545 HB THR 82 HB THR 82 4.416 -5.415 -2.956 546 HG1 THR 82 HG1 THR 82 4.240 -3.336 -2.180 547 HG21 THR 82 HG21 THR 82 4.836 -5.342 0.048 548 HG22 THR 82 HG22 THR 82 3.440 -5.956 -0.870 549 HG23 THR 82 HG23 THR 82 4.949 -6.899 -0.806 550 H SER 83 H SER 83 5.055 -7.027 -3.832 551 HA SER 83 HA SER 83 5.816 -9.467 -3.021 552 HB2 SER 83 HB2 SER 83 4.748 -8.336 -5.573 553 HB3 SER 83 HB3 SER 83 5.427 -9.947 -5.689 554 HG SER 83 HG SER 83 3.516 -10.582 -4.958 555 H LYS 84 H LYS 84 7.436 -7.342 -5.446 556 HA LYS 84 HA LYS 84 9.254 -9.093 -6.485 557 HB2 LYS 84 HB2 LYS 84 9.248 -6.138 -5.973 558 HB3 LYS 84 HB3 LYS 84 10.726 -6.896 -6.531 559 HG2 LYS 84 HG2 LYS 84 8.686 -8.013 -8.156 560 HG3 LYS 84 HG3 LYS 84 8.269 -6.316 -8.021 561 HD2 LYS 84 HD2 LYS 84 9.772 -6.032 -9.723 562 HD3 LYS 84 HD3 LYS 84 10.976 -6.114 -8.453 563 HE2 LYS 84 HE2 LYS 84 11.747 -8.151 -9.152 564 HE3 LYS 84 HE3 LYS 84 10.130 -8.795 -9.355 565 HZ1 LYS 84 HZ1 LYS 84 11.853 -7.710 -11.345 566 HZ2 LYS 84 HZ2 LYS 84 10.476 -8.555 -11.551 567 HZ3 LYS 84 HZ3 LYS 84 10.410 -6.938 -11.314 568 H VAL 85 H VAL 85 9.607 -7.073 -3.489 569 HA VAL 85 HA VAL 85 12.115 -8.146 -2.826 570 HB VAL 85 HB VAL 85 10.137 -6.321 -1.735 571 HG11 VAL 85 HG11 VAL 85 11.681 -8.043 0.234 572 HG12 VAL 85 HG12 VAL 85 10.814 -6.542 0.639 573 HG13 VAL 85 HG13 VAL 85 9.913 -7.959 0.051 574 HG21 VAL 85 HG21 VAL 85 12.944 -6.229 -0.799 575 HG22 VAL 85 HG22 VAL 85 12.727 -6.190 -2.565 576 HG23 VAL 85 HG23 VAL 85 11.936 -4.965 -1.543 577 H ILE 86 H ILE 86 8.782 -9.259 -2.413 578 HA ILE 86 HA ILE 86 9.362 -11.100 -0.335 579 HB ILE 86 HB ILE 86 7.075 -10.962 -2.304 580 HG12 ILE 86 HG12 ILE 86 7.571 -8.970 -0.717 581 HG13 ILE 86 HG13 ILE 86 5.937 -9.593 -0.831 582 HG21 ILE 86 HG21 ILE 86 7.467 -12.590 0.214 583 HG22 ILE 86 HG22 ILE 86 5.875 -12.282 -0.520 584 HG23 ILE 86 HG23 ILE 86 7.120 -13.168 -1.433 585 HD11 ILE 86 HD11 ILE 86 7.886 -10.606 1.276 586 HD12 ILE 86 HD12 ILE 86 6.854 -9.181 1.544 587 HD13 ILE 86 HD13 ILE 86 6.114 -10.772 1.248 588 H GLY 87 H GLY 87 8.467 -11.706 -3.809 589 HA2 GLY 87 HA2 GLY 87 10.350 -13.009 -4.949 590 HA3 GLY 87 HA3 GLY 87 10.080 -14.170 -3.664 591 H GLY 88 H GLY 88 8.955 -12.919 -6.726 592 HA2 GLY 88 HA2 GLY 88 7.471 -13.752 -8.201 593 HA3 GLY 88 HA3 GLY 88 7.289 -15.165 -7.182 594 H PHE 89 H PHE 89 5.762 -15.090 -5.341 595 HA PHE 89 HA PHE 89 4.121 -12.895 -4.853 596 HB2 PHE 89 HB2 PHE 89 3.568 -14.021 -7.315 597 HB3 PHE 89 HB3 PHE 89 2.582 -15.058 -6.304 598 HD1 PHE 89 HD2 PHE 89 1.345 -13.435 -4.362 599 HD2 PHE 89 HD1 PHE 89 2.318 -12.405 -8.362 600 HE1 PHE 89 HE2 PHE 89 -0.471 -11.702 -4.357 601 HE2 PHE 89 HE1 PHE 89 0.502 -10.673 -8.358 602 HZ PHE 89 HZ PHE 89 -0.871 -10.342 -6.355 603 H ALA 90 H ALA 90 4.132 -16.507 -5.189 604 HA ALA 90 HA ALA 90 3.170 -16.609 -2.412 605 HB1 ALA 90 HB1 ALA 90 1.458 -17.271 -4.147 606 HB2 ALA 90 HB2 ALA 90 2.545 -18.595 -4.630 607 HB3 ALA 90 HB3 ALA 90 1.863 -18.558 -2.986 608 H GLY 91 H GLY 91 4.910 -18.392 -5.056 609 HA2 GLY 91 HA2 GLY 91 6.100 -20.395 -3.699 610 HA3 GLY 91 HA3 GLY 91 6.883 -19.494 -4.982 611 H THR 92 H THR 92 8.383 -17.790 -4.482 612 HA THR 92 HA THR 92 9.704 -18.162 -1.972 613 HB THR 92 HB THR 92 10.099 -16.446 -4.461 614 HG1 THR 92 HG1 THR 92 11.306 -18.263 -4.832 615 HG21 THR 92 HG21 THR 92 10.953 -15.426 -2.119 616 HG22 THR 92 HG22 THR 92 12.203 -16.679 -2.302 617 HG23 THR 92 HG23 THR 92 12.009 -15.426 -3.551 618 H ALA 93 H ALA 93 8.327 -17.584 -0.290 619 HA ALA 93 HA ALA 93 7.909 -14.687 -0.115 620 HB1 ALA 93 HB1 ALA 93 5.717 -15.255 -0.531 621 HB2 ALA 93 HB2 ALA 93 5.915 -16.914 0.083 622 HB3 ALA 93 HB3 ALA 93 5.752 -15.557 1.223 623 H LEU 94 H LEU 94 7.267 -14.189 2.338 624 HA LEU 94 HA LEU 94 9.436 -14.645 3.883 625 HB2 LEU 94 HB2 LEU 94 7.511 -13.043 4.212 626 HB3 LEU 94 HB3 LEU 94 6.632 -14.363 4.957 627 HG LEU 94 HG LEU 94 8.595 -14.559 6.592 628 HD11 LEU 94 HD11 LEU 94 9.211 -11.709 5.874 629 HD12 LEU 94 HD12 LEU 94 10.176 -12.887 6.795 630 HD13 LEU 94 HD13 LEU 94 10.027 -13.045 5.028 631 HD21 LEU 94 HD21 LEU 94 7.698 -12.845 8.050 632 HD22 LEU 94 HD22 LEU 94 6.941 -12.020 6.666 633 HD23 LEU 94 HD23 LEU 94 6.376 -13.635 7.157 634 H GLY 95 H GLY 95 10.074 -16.120 5.510 635 HA2 GLY 95 HA2 GLY 95 8.591 -18.221 6.514 636 HA3 GLY 95 HA3 GLY 95 9.304 -18.818 5.029 637 H ALA 96 H ALA 96 11.114 -19.997 5.467 638 HA ALA 96 HA ALA 96 13.112 -18.760 7.200 639 HB1 ALA 96 HB1 ALA 96 12.199 -21.653 7.458 640 HB2 ALA 96 HB2 ALA 96 13.437 -20.829 8.436 641 HB3 ALA 96 HB3 ALA 96 11.729 -20.343 8.568 642 H TRP 97 H TRP 97 14.069 -18.254 5.083 643 HA TRP 97 HA TRP 97 15.802 -20.374 4.246 644 HB2 TRP 97 HB2 TRP 97 13.754 -20.896 2.968 645 HB3 TRP 97 HB3 TRP 97 13.797 -19.295 2.257 646 HD1 TRP 97 HD1 TRP 97 16.185 -18.806 0.732 647 HE1 TRP 97 HE1 TRP 97 17.503 -20.383 -0.924 648 HE3 TRP 97 HE3 TRP 97 14.296 -23.165 2.545 649 HZ2 TRP 97 HZ2 TRP 97 17.605 -23.212 -1.282 650 HZ3 TRP 97 HZ3 TRP 97 15.057 -25.290 1.486 651 HH2 TRP 97 HH2 TRP 97 16.653 -25.359 -0.363 652 H LEU 98 H LEU 98 14.348 -17.297 2.937 653 HA LEU 98 HA LEU 98 15.276 -15.398 2.295 654 HB2 LEU 98 HB2 LEU 98 17.107 -16.015 4.615 655 HB3 LEU 98 HB3 LEU 98 17.081 -14.481 3.768 656 HG LEU 98 HG LEU 98 14.574 -15.598 5.016 657 HD11 LEU 98 HD11 LEU 98 16.511 -15.511 6.674 658 HD12 LEU 98 HD12 LEU 98 16.453 -13.743 6.479 659 HD13 LEU 98 HD13 LEU 98 15.032 -14.617 7.102 660 HD21 LEU 98 HD21 LEU 98 13.945 -13.812 3.722 661 HD22 LEU 98 HD22 LEU 98 14.279 -12.996 5.268 662 HD23 LEU 98 HD23 LEU 98 15.484 -12.950 3.958 663 H GLY 99 H GLY 99 15.983 -15.680 0.215 664 HA2 GLY 99 HA2 GLY 99 18.559 -15.446 -0.530 665 HA3 GLY 99 HA3 GLY 99 18.400 -17.178 -0.319 666 H SER 100 H SER 100 18.954 -16.861 -2.787 667 HA SER 100 HA SER 100 16.393 -16.672 -4.173 668 HB2 SER 100 HB2 SER 100 18.100 -14.809 -4.651 669 HB3 SER 100 HB3 SER 100 19.107 -16.033 -5.398 670 HG SER 100 HG SER 100 17.725 -14.890 -6.933 671 HA PRO 101 HA PRO 101 17.529 -20.818 -5.112 672 HB2 PRO 101 HB2 PRO 101 15.174 -21.570 -6.277 673 HB3 PRO 101 HB3 PRO 101 15.447 -21.622 -4.547 674 HG2 PRO 101 HG2 PRO 101 13.856 -19.685 -6.114 675 HG3 PRO 101 HG3 PRO 101 13.801 -20.013 -4.393 676 HD2 PRO 101 HD2 PRO 101 15.042 -17.766 -5.674 677 HD3 PRO 101 HD3 PRO 101 15.086 -18.155 -3.966 678 HA PRO 102 HA PRO 102 18.812 -20.686 -9.153 679 HB2 PRO 102 HB2 PRO 102 19.345 -23.314 -9.677 680 HB3 PRO 102 HB3 PRO 102 20.448 -22.268 -8.804 681 HG2 PRO 102 HG2 PRO 102 18.690 -24.400 -7.752 682 HG3 PRO 102 HG3 PRO 102 20.080 -23.650 -6.993 683 HD2 PRO 102 HD2 PRO 102 17.320 -23.140 -6.404 684 HD3 PRO 102 HD3 PRO 102 18.706 -22.308 -5.729 685 H SER 103 H SER 103 17.055 -19.827 -10.236 686 HA SER 103 HA SER 103 15.840 -21.787 -11.909 687 HB2 SER 103 HB2 SER 103 14.015 -20.067 -10.179 688 HB3 SER 103 HB3 SER 103 13.523 -21.297 -11.325 689 HG SER 103 HG SER 103 15.024 -22.717 -9.820 690 H SER 104 H SER 104 16.608 -20.696 -13.735 691 HA SER 104 HA SER 104 16.384 -17.857 -13.850 692 HB2 SER 104 HB2 SER 104 17.411 -20.004 -15.730 693 HB3 SER 104 HB3 SER 104 17.215 -18.356 -16.292 694 HG SER 104 HG SER 104 18.845 -19.235 -14.063 Start of MODEL 8 1 H MET 1 H1 MET 1 -2.280 -18.730 -3.241 2 HA MET 1 HA MET 1 -3.993 -20.624 -3.442 3 HB2 MET 1 HB2 MET 1 -1.177 -20.489 -2.784 4 HB3 MET 1 HB3 MET 1 -1.859 -21.806 -1.850 5 HG2 MET 1 HG2 MET 1 -1.836 -23.111 -3.706 6 HG3 MET 1 HG3 MET 1 -2.995 -22.036 -4.462 7 HE1 MET 1 HE1 MET 1 -1.278 -20.407 -7.166 8 HE2 MET 1 HE2 MET 1 -1.922 -22.066 -7.133 9 HE3 MET 1 HE3 MET 1 -2.739 -20.775 -6.219 10 H GLY 2 H GLY 2 -5.613 -21.593 -2.298 11 HA2 GLY 2 HA2 GLY 2 -5.529 -22.719 0.155 12 HA3 GLY 2 HA3 GLY 2 -5.865 -21.040 0.526 13 H LYS 3 H LYS 3 -7.757 -19.985 -0.639 14 HA LYS 3 HA LYS 3 -9.871 -21.991 -0.953 15 HB2 LYS 3 HB2 LYS 3 -9.791 -19.201 0.135 16 HB3 LYS 3 HB3 LYS 3 -11.272 -19.762 -0.615 17 HG2 LYS 3 HG2 LYS 3 -11.549 -21.537 0.950 18 HG3 LYS 3 HG3 LYS 3 -9.866 -21.499 1.437 19 HD2 LYS 3 HD2 LYS 3 -10.514 -20.207 3.189 20 HD3 LYS 3 HD3 LYS 3 -10.744 -18.907 2.036 21 HE2 LYS 3 HE2 LYS 3 -12.885 -18.950 2.916 22 HE3 LYS 3 HE3 LYS 3 -13.110 -20.145 1.654 23 HZ1 LYS 3 HZ1 LYS 3 -13.879 -20.975 3.809 24 HZ2 LYS 3 HZ2 LYS 3 -12.631 -21.887 3.297 25 HZ3 LYS 3 HZ3 LYS 3 -12.386 -20.735 4.434 26 H GLU 4 H GLU 4 -11.603 -21.425 -2.590 27 HA GLU 4 HA GLU 4 -10.389 -21.099 -5.058 28 HB2 GLU 4 HB2 GLU 4 -13.235 -21.212 -4.066 29 HB3 GLU 4 HB3 GLU 4 -12.952 -20.731 -5.727 30 HG2 GLU 4 HG2 GLU 4 -12.181 -22.824 -6.359 31 HG3 GLU 4 HG3 GLU 4 -11.437 -23.143 -4.805 32 H SER 5 H SER 5 -9.516 -19.242 -5.867 33 HA SER 5 HA SER 5 -9.163 -17.135 -6.266 34 HB2 SER 5 HB2 SER 5 -11.141 -17.315 -7.665 35 HB3 SER 5 HB3 SER 5 -12.208 -17.102 -6.292 36 HG SER 5 HG SER 5 -11.932 -14.959 -6.351 37 H GLY 6 H GLY 6 -8.134 -16.681 -4.209 38 HA2 GLY 6 HA2 GLY 6 -9.492 -16.010 -1.859 39 HA3 GLY 6 HA3 GLY 6 -7.845 -15.577 -2.275 40 H TRP 7 H TRP 7 -7.710 -13.737 -4.074 41 HA TRP 7 HA TRP 7 -7.915 -11.530 -4.315 42 HB2 TRP 7 HB2 TRP 7 -9.963 -12.777 -5.532 43 HB3 TRP 7 HB3 TRP 7 -10.871 -11.722 -4.467 44 HD1 TRP 7 HD1 TRP 7 -9.939 -8.951 -4.685 45 HE1 TRP 7 HE1 TRP 7 -9.472 -7.532 -6.861 46 HE3 TRP 7 HE3 TRP 7 -9.332 -12.934 -7.786 47 HZ2 TRP 7 HZ2 TRP 7 -8.914 -8.220 -9.573 48 HZ3 TRP 7 HZ3 TRP 7 -8.828 -12.474 -10.183 49 HH2 TRP 7 HH2 TRP 7 -8.618 -10.213 -11.090 50 H ASP 8 H ASP 8 -7.211 -11.293 -1.986 51 HA ASP 8 HA ASP 8 -7.357 -10.216 -0.107 52 HB2 ASP 8 HB2 ASP 8 -9.434 -9.000 -1.678 53 HB3 ASP 8 HB3 ASP 8 -10.082 -9.214 -0.064 54 H SER 9 H SER 9 -7.444 -11.853 1.471 55 HA SER 9 HA SER 9 -9.277 -13.789 1.714 56 HB2 SER 9 HB2 SER 9 -7.236 -12.574 3.412 57 HB3 SER 9 HB3 SER 9 -8.587 -13.117 4.387 58 HG SER 9 HG SER 9 -7.852 -15.104 4.158 59 H GLY 10 H GLY 10 -10.868 -14.078 3.712 60 HA2 GLY 10 HA2 GLY 10 -12.925 -12.122 3.413 61 HA3 GLY 10 HA3 GLY 10 -12.932 -13.534 4.451 62 H ARG 11 H ARG 11 -12.661 -13.278 6.650 63 HA ARG 11 HA ARG 11 -12.524 -10.617 7.586 64 HB2 ARG 11 HB2 ARG 11 -12.911 -13.350 8.786 65 HB3 ARG 11 HB3 ARG 11 -12.343 -12.096 9.870 66 HG2 ARG 11 HG2 ARG 11 -14.352 -10.738 8.582 67 HG3 ARG 11 HG3 ARG 11 -14.988 -12.369 8.500 68 HD2 ARG 11 HD2 ARG 11 -14.272 -12.419 11.091 69 HD3 ARG 11 HD3 ARG 11 -14.407 -10.679 10.935 70 HE ARG 11 HE ARG 11 -16.716 -12.017 9.788 71 HH11 ARG 11 HH22 ARG 11 -15.299 -10.980 12.866 72 HH12 ARG 11 HH21 ARG 11 -16.826 -10.879 13.677 73 HH21 ARG 11 HH12 ARG 11 -18.693 -11.882 10.854 74 HH22 ARG 11 HH11 ARG 11 -18.769 -11.398 12.517 75 H ALA 12 H ALA 12 -10.490 -13.603 8.072 76 HA ALA 12 HA ALA 12 -8.503 -12.638 9.598 77 HB1 ALA 12 HB1 ALA 12 -8.777 -14.963 8.670 78 HB2 ALA 12 HB2 ALA 12 -8.097 -14.376 7.133 79 HB3 ALA 12 HB3 ALA 12 -7.105 -14.353 8.611 80 H ALA 13 H ALA 13 -9.052 -12.009 6.107 81 HA ALA 13 HA ALA 13 -6.715 -10.944 5.316 82 HB1 ALA 13 HB1 ALA 13 -9.473 -10.818 4.558 83 HB2 ALA 13 HB2 ALA 13 -8.803 -9.172 4.455 84 HB3 ALA 13 HB3 ALA 13 -8.036 -10.503 3.556 85 H VAL 14 H VAL 14 -9.343 -9.091 7.022 86 HA VAL 14 HA VAL 14 -8.096 -6.696 7.237 87 HB VAL 14 HB VAL 14 -9.840 -8.157 9.226 88 HG11 VAL 14 HG11 VAL 14 -8.647 -6.352 10.366 89 HG12 VAL 14 HG12 VAL 14 -9.147 -5.202 9.102 90 HG13 VAL 14 HG13 VAL 14 -10.367 -5.940 10.167 91 HG21 VAL 14 HG21 VAL 14 -10.359 -6.415 6.832 92 HG22 VAL 14 HG22 VAL 14 -11.137 -7.939 7.320 93 HG23 VAL 14 HG23 VAL 14 -11.518 -6.430 8.183 94 H ALA 15 H ALA 15 -7.698 -9.575 9.396 95 HA ALA 15 HA ALA 15 -6.006 -8.424 11.240 96 HB1 ALA 15 HB1 ALA 15 -5.468 -10.668 11.848 97 HB2 ALA 15 HB2 ALA 15 -7.135 -10.724 11.228 98 HB3 ALA 15 HB3 ALA 15 -5.786 -11.270 10.204 99 H ALA 16 H ALA 16 -5.272 -9.959 8.049 100 HA ALA 16 HA ALA 16 -2.492 -9.753 8.275 101 HB1 ALA 16 HB1 ALA 16 -2.556 -10.740 6.237 102 HB2 ALA 16 HB2 ALA 16 -4.312 -10.845 6.511 103 HB3 ALA 16 HB3 ALA 16 -3.638 -9.496 5.566 104 H VAL 17 H VAL 17 -5.047 -7.429 7.459 105 HA VAL 17 HA VAL 17 -3.189 -5.534 6.356 106 HB VAL 17 HB VAL 17 -6.117 -5.421 7.091 107 HG11 VAL 17 HG11 VAL 17 -5.474 -3.180 7.283 108 HG12 VAL 17 HG12 VAL 17 -4.279 -3.307 5.969 109 HG13 VAL 17 HG13 VAL 17 -6.019 -3.309 5.593 110 HG21 VAL 17 HG21 VAL 17 -5.896 -6.826 5.224 111 HG22 VAL 17 HG22 VAL 17 -6.274 -5.235 4.522 112 HG23 VAL 17 HG23 VAL 17 -4.599 -5.836 4.513 113 H VAL 18 H VAL 18 -4.309 -6.528 9.499 114 HA VAL 18 HA VAL 18 -3.900 -3.994 10.758 115 HB VAL 18 HB VAL 18 -4.378 -6.815 11.700 116 HG11 VAL 18 HG11 VAL 18 -3.119 -4.695 13.188 117 HG12 VAL 18 HG12 VAL 18 -4.724 -5.036 13.877 118 HG13 VAL 18 HG13 VAL 18 -3.532 -6.347 13.709 119 HG21 VAL 18 HG21 VAL 18 -6.003 -4.323 11.376 120 HG22 VAL 18 HG22 VAL 18 -6.424 -6.018 11.034 121 HG23 VAL 18 HG23 VAL 18 -6.406 -5.427 12.713 122 H GLY 19 H GLY 19 -2.121 -7.163 10.692 123 HA2 GLY 19 HA2 GLY 19 0.063 -6.412 12.210 124 HA3 GLY 19 HA3 GLY 19 0.061 -7.629 10.950 125 H GLY 20 H GLY 20 1.448 -4.720 11.934 126 HA2 GLY 20 HA2 GLY 20 3.327 -4.046 10.508 127 HA3 GLY 20 HA3 GLY 20 2.213 -4.043 9.155 128 H VAL 21 H VAL 21 1.484 -2.910 12.498 129 HA VAL 21 HA VAL 21 0.236 -0.596 11.690 130 HB VAL 21 HB VAL 21 0.569 0.126 14.032 131 HG11 VAL 21 HG11 VAL 21 -1.316 -1.138 14.010 132 HG12 VAL 21 HG12 VAL 21 -0.515 -2.518 13.222 133 HG13 VAL 21 HG13 VAL 21 -0.313 -2.252 14.970 134 HG21 VAL 21 HG21 VAL 21 2.478 -2.211 14.054 135 HG22 VAL 21 HG22 VAL 21 2.725 -0.550 14.643 136 HG23 VAL 21 HG23 VAL 21 1.670 -1.665 15.543 137 H VAL 22 H VAL 22 3.640 -1.001 12.905 138 HA VAL 22 HA VAL 22 4.444 1.595 12.654 139 HB VAL 22 HB VAL 22 5.917 -1.004 12.220 140 HG11 VAL 22 HG11 VAL 22 6.896 1.828 12.124 141 HG12 VAL 22 HG12 VAL 22 7.929 0.585 12.869 142 HG13 VAL 22 HG13 VAL 22 7.405 0.410 11.177 143 HG21 VAL 22 HG21 VAL 22 4.809 0.012 14.507 144 HG22 VAL 22 HG22 VAL 22 6.203 -1.093 14.455 145 HG23 VAL 22 HG23 VAL 22 6.463 0.662 14.594 146 H ALA 23 H ALA 23 4.466 -1.003 10.125 147 HA ALA 23 HA ALA 23 5.613 0.471 8.103 148 HB1 ALA 23 HB1 ALA 23 5.376 -1.616 7.289 149 HB2 ALA 23 HB2 ALA 23 4.060 -1.984 8.430 150 HB3 ALA 23 HB3 ALA 23 3.700 -1.175 6.886 151 H VAL 24 H VAL 24 2.235 0.400 9.318 152 HA VAL 24 HA VAL 24 1.173 1.931 7.200 153 HB VAL 24 HB VAL 24 0.190 1.595 10.041 154 HG11 VAL 24 HG11 VAL 24 -1.960 1.732 8.229 155 HG12 VAL 24 HG12 VAL 24 -1.461 2.961 9.416 156 HG13 VAL 24 HG13 VAL 24 -0.843 3.032 7.749 157 HG21 VAL 24 HG21 VAL 24 0.681 -0.447 8.274 158 HG22 VAL 24 HG22 VAL 24 -0.532 -0.488 9.576 159 HG23 VAL 24 HG23 VAL 24 -1.019 -0.057 7.919 160 H GLY 25 H GLY 25 2.843 2.683 10.259 161 HA2 GLY 25 HA2 GLY 25 2.131 5.428 10.360 162 HA3 GLY 25 HA3 GLY 25 3.450 4.638 11.201 163 H THR 26 H THR 26 4.998 3.612 9.069 164 HA THR 26 HA THR 26 6.450 5.888 8.322 165 HB THR 26 HB THR 26 6.417 2.963 7.436 166 HG1 THR 26 HG1 THR 26 7.907 2.920 9.109 167 HG21 THR 26 HG21 THR 26 7.592 5.027 5.946 168 HG22 THR 26 HG22 THR 26 8.901 4.528 7.044 169 HG23 THR 26 HG23 THR 26 8.141 3.334 5.964 170 H VAL 27 H VAL 27 4.276 3.753 6.356 171 HA VAL 27 HA VAL 27 4.545 5.149 3.994 172 HB VAL 27 HB VAL 27 2.389 4.127 3.404 173 HG11 VAL 27 HG11 VAL 27 4.547 2.522 4.747 174 HG12 VAL 27 HG12 VAL 27 3.097 1.702 4.120 175 HG13 VAL 27 HG13 VAL 27 4.129 2.648 3.022 176 HG21 VAL 27 HG21 VAL 27 1.234 2.681 5.068 177 HG22 VAL 27 HG22 VAL 27 2.297 3.338 6.335 178 HG23 VAL 27 HG23 VAL 27 1.165 4.412 5.478 179 H LEU 28 H LEU 28 2.205 5.629 6.717 180 HA LEU 28 HA LEU 28 0.725 7.647 5.578 181 HB2 LEU 28 HB2 LEU 28 1.199 6.533 8.216 182 HB3 LEU 28 HB3 LEU 28 0.923 8.261 8.293 183 HG LEU 28 HG LEU 28 -1.127 6.897 8.591 184 HD11 LEU 28 HD11 LEU 28 -1.854 8.944 8.003 185 HD12 LEU 28 HD12 LEU 28 -0.794 9.034 6.575 186 HD13 LEU 28 HD13 LEU 28 -2.323 8.126 6.493 187 HD21 LEU 28 HD21 LEU 28 -0.584 5.047 7.097 188 HD22 LEU 28 HD22 LEU 28 -2.149 5.778 6.665 189 HD23 LEU 28 HD23 LEU 28 -0.702 6.130 5.689 190 H VAL 29 H VAL 29 3.837 7.822 7.407 191 HA VAL 29 HA VAL 29 4.010 10.601 7.433 192 HB VAL 29 HB VAL 29 6.079 8.404 7.493 193 HG11 VAL 29 HG11 VAL 29 7.748 9.884 7.419 194 HG12 VAL 29 HG12 VAL 29 6.561 11.125 6.951 195 HG13 VAL 29 HG13 VAL 29 6.977 10.892 8.667 196 HG21 VAL 29 HG21 VAL 29 5.982 9.731 9.948 197 HG22 VAL 29 HG22 VAL 29 4.280 9.601 9.446 198 HG23 VAL 29 HG23 VAL 29 5.286 8.138 9.567 199 H ALA 30 H ALA 30 4.843 8.146 4.962 200 HA ALA 30 HA ALA 30 6.279 9.917 3.299 201 HB1 ALA 30 HB1 ALA 30 5.048 7.187 3.099 202 HB2 ALA 30 HB2 ALA 30 5.498 8.018 1.591 203 HB3 ALA 30 HB3 ALA 30 6.732 7.700 2.834 204 H LEU 31 H LEU 31 2.835 9.170 3.800 205 HA LEU 31 HA LEU 31 1.959 10.354 1.379 206 HB2 LEU 31 HB2 LEU 31 0.810 9.095 3.744 207 HB3 LEU 31 HB3 LEU 31 -0.146 10.451 3.182 208 HG LEU 31 HG LEU 31 -0.923 8.339 2.233 209 HD11 LEU 31 HD11 LEU 31 -1.174 10.448 0.960 210 HD12 LEU 31 HD12 LEU 31 0.340 10.080 0.099 211 HD13 LEU 31 HD13 LEU 31 -1.070 9.009 -0.083 212 HD21 LEU 31 HD21 LEU 31 1.856 7.809 1.918 213 HD22 LEU 31 HD22 LEU 31 0.470 6.735 1.608 214 HD23 LEU 31 HD23 LEU 31 1.101 7.773 0.306 215 H SER 32 H SER 32 2.167 11.482 4.817 216 HA SER 32 HA SER 32 1.121 13.989 4.296 217 HB2 SER 32 HB2 SER 32 2.366 14.605 6.465 218 HB3 SER 32 HB3 SER 32 1.206 13.296 6.566 219 HG SER 32 HG SER 32 3.867 13.248 7.133 220 H ALA 33 H ALA 33 4.585 12.943 4.738 221 HA ALA 33 HA ALA 33 5.846 15.285 4.270 222 HB1 ALA 33 HB1 ALA 33 6.779 12.689 3.017 223 HB2 ALA 33 HB2 ALA 33 7.751 13.977 3.767 224 HB3 ALA 33 HB3 ALA 33 6.749 12.914 4.783 225 H MET 34 H MET 34 4.587 12.965 1.789 226 HA MET 34 HA MET 34 5.328 14.818 -0.276 227 HB2 MET 34 HB2 MET 34 5.243 12.100 -0.191 228 HB3 MET 34 HB3 MET 34 3.608 12.372 -0.760 229 HG2 MET 34 HG2 MET 34 4.759 13.975 -2.529 230 HG3 MET 34 HG3 MET 34 6.222 13.103 -2.118 231 HE1 MET 34 HE1 MET 34 3.206 12.693 -4.813 232 HE2 MET 34 HE2 MET 34 4.746 13.570 -4.642 233 HE3 MET 34 HE3 MET 34 4.690 12.037 -5.545 234 H GLY 35 H GLY 35 3.584 16.148 1.364 235 HA2 GLY 35 HA2 GLY 35 1.206 16.364 -0.340 236 HA3 GLY 35 HA3 GLY 35 0.979 16.082 1.374 237 H PHE 36 H PHE 36 1.912 17.667 2.941 238 HA PHE 36 HA PHE 36 3.068 20.057 2.141 239 HB2 PHE 36 HB2 PHE 36 0.353 19.864 1.417 240 HB3 PHE 36 HB3 PHE 36 0.254 20.660 2.975 241 HD1 PHE 36 HD1 PHE 36 1.915 22.707 3.266 242 HD2 PHE 36 HD2 PHE 36 0.608 21.172 -0.468 243 HE1 PHE 36 HE1 PHE 36 2.446 24.905 2.176 244 HE2 PHE 36 HE2 PHE 36 1.139 23.370 -1.558 245 HZ PHE 36 HZ PHE 36 2.052 25.210 -0.223 246 H THR 37 H THR 37 3.350 18.089 4.217 247 HA THR 37 HA THR 37 3.675 17.939 6.411 248 HB THR 37 HB THR 37 3.412 20.984 6.192 249 HG1 THR 37 HG1 THR 37 5.639 19.083 6.404 250 HG21 THR 37 HG21 THR 37 4.534 19.178 8.395 251 HG22 THR 37 HG22 THR 37 4.941 20.904 8.241 252 HG23 THR 37 HG23 THR 37 3.263 20.411 8.569 253 H SER 38 H SER 38 2.675 18.407 8.667 254 HA SER 38 HA SER 38 -0.178 18.834 8.355 255 HB2 SER 38 HB2 SER 38 -0.261 16.842 10.178 256 HB3 SER 38 HB3 SER 38 -0.391 16.550 8.455 257 HG SER 38 HG SER 38 2.026 16.293 8.491 258 H VAL 39 H VAL 39 1.479 17.457 11.216 259 HA VAL 39 HA VAL 39 1.554 18.205 13.311 260 HB VAL 39 HB VAL 39 2.965 20.111 13.634 261 HG11 VAL 39 HG11 VAL 39 4.033 19.084 11.032 262 HG12 VAL 39 HG12 VAL 39 4.847 19.294 12.601 263 HG13 VAL 39 HG13 VAL 39 3.742 17.922 12.348 264 HG21 VAL 39 HG21 VAL 39 3.462 21.762 11.987 265 HG22 VAL 39 HG22 VAL 39 2.620 20.846 10.714 266 HG23 VAL 39 HG23 VAL 39 1.689 21.601 12.030 267 H GLY 40 H GLY 40 1.374 21.049 14.204 268 HA2 GLY 40 HA2 GLY 40 -1.148 21.254 15.075 269 HA3 GLY 40 HA3 GLY 40 -0.169 22.648 14.666 270 H ILE 41 H ILE 41 0.029 22.604 11.907 271 HA ILE 41 HA ILE 41 -2.259 23.779 11.056 272 HB ILE 41 HB ILE 41 -0.214 22.222 9.475 273 HG12 ILE 41 HG12 ILE 41 -0.147 25.134 9.330 274 HG13 ILE 41 HG13 ILE 41 0.049 24.563 10.975 275 HG21 ILE 41 HG21 ILE 41 -2.048 22.394 8.018 276 HG22 ILE 41 HG22 ILE 41 -2.451 24.036 8.575 277 HG23 ILE 41 HG23 ILE 41 -0.991 23.763 7.594 278 HD11 ILE 41 HD11 ILE 41 1.688 23.703 8.549 279 HD12 ILE 41 HD12 ILE 41 2.249 24.678 9.929 280 HD13 ILE 41 HD13 ILE 41 1.832 22.963 10.162 281 H ALA 42 H ALA 42 -1.340 20.296 10.606 282 HA ALA 42 HA ALA 42 -3.685 19.557 9.310 283 HB1 ALA 42 HB1 ALA 42 -1.647 18.082 11.004 284 HB2 ALA 42 HB2 ALA 42 -3.017 17.247 10.233 285 HB3 ALA 42 HB3 ALA 42 -1.814 18.096 9.232 286 H ALA 43 H ALA 43 -2.860 19.907 12.785 287 HA ALA 43 HA ALA 43 -5.143 18.634 13.787 288 HB1 ALA 43 HB1 ALA 43 -2.829 19.737 14.801 289 HB2 ALA 43 HB2 ALA 43 -4.062 20.899 15.348 290 HB3 ALA 43 HB3 ALA 43 -4.207 19.179 15.779 291 H SER 44 H SER 44 -4.557 21.835 12.381 292 HA SER 44 HA SER 44 -6.903 22.976 13.461 293 HB2 SER 44 HB2 SER 44 -4.632 23.843 11.953 294 HB3 SER 44 HB3 SER 44 -6.045 24.272 11.010 295 HG SER 44 HG SER 44 -5.134 25.315 13.444 296 H SER 45 H SER 45 -5.940 21.839 10.137 297 HA SER 45 HA SER 45 -8.286 22.273 8.881 298 HB2 SER 45 HB2 SER 45 -6.117 21.428 7.880 299 HB3 SER 45 HB3 SER 45 -6.507 19.828 8.481 300 HG SER 45 HG SER 45 -8.213 21.349 6.699 301 H ILE 46 H ILE 46 -7.343 19.523 11.004 302 HA ILE 46 HA ILE 46 -9.668 18.001 10.485 303 HB ILE 46 HB ILE 46 -7.617 17.959 12.696 304 HG12 ILE 46 HG12 ILE 46 -6.906 17.412 10.338 305 HG13 ILE 46 HG13 ILE 46 -6.616 16.162 11.531 306 HG21 ILE 46 HG21 ILE 46 -8.822 16.505 13.858 307 HG22 ILE 46 HG22 ILE 46 -10.194 16.820 12.768 308 HG23 ILE 46 HG23 ILE 46 -9.067 15.487 12.419 309 HD11 ILE 46 HD11 ILE 46 -9.279 15.809 10.436 310 HD12 ILE 46 HD12 ILE 46 -8.100 15.937 9.109 311 HD13 ILE 46 HD13 ILE 46 -7.890 14.698 10.369 312 H ALA 47 H ALA 47 -8.674 20.071 13.304 313 HA ALA 47 HA ALA 47 -10.894 19.892 14.817 314 HB1 ALA 47 HB1 ALA 47 -10.194 21.908 15.810 315 HB2 ALA 47 HB2 ALA 47 -8.702 21.274 15.076 316 HB3 ALA 47 HB3 ALA 47 -9.608 22.575 14.268 317 H ALA 48 H ALA 48 -10.414 22.287 12.120 318 HA ALA 48 HA ALA 48 -12.767 23.564 12.153 319 HB1 ALA 48 HB1 ALA 48 -10.970 22.593 9.940 320 HB2 ALA 48 HB2 ALA 48 -12.502 23.400 9.525 321 HB3 ALA 48 HB3 ALA 48 -11.283 24.253 10.502 322 H LYS 49 H LYS 49 -12.262 20.590 10.115 323 HA LYS 49 HA LYS 49 -13.662 19.016 9.457 324 HB2 LYS 49 HB2 LYS 49 -13.996 19.236 12.233 325 HB3 LYS 49 HB3 LYS 49 -15.626 19.133 11.600 326 HG2 LYS 49 HG2 LYS 49 -14.890 17.123 10.218 327 HG3 LYS 49 HG3 LYS 49 -13.340 17.189 11.034 328 HD2 LYS 49 HD2 LYS 49 -14.404 15.699 12.450 329 HD3 LYS 49 HD3 LYS 49 -14.890 17.189 13.234 330 HE2 LYS 49 HE2 LYS 49 -16.978 16.194 13.012 331 HE3 LYS 49 HE3 LYS 49 -16.925 17.065 11.493 332 HZ1 LYS 49 HZ1 LYS 49 -16.674 15.134 10.328 333 HZ2 LYS 49 HZ2 LYS 49 -15.738 14.408 11.445 334 HZ3 LYS 49 HZ3 LYS 49 -17.357 14.491 11.669 335 H MET 50 H MET 50 -14.026 21.227 8.035 336 HA MET 50 HA MET 50 -16.871 21.178 7.616 337 HB2 MET 50 HB2 MET 50 -16.003 23.193 9.179 338 HB3 MET 50 HB3 MET 50 -15.499 23.890 7.652 339 HG2 MET 50 HG2 MET 50 -17.789 23.807 6.778 340 HG3 MET 50 HG3 MET 50 -18.340 22.892 8.167 341 HE1 MET 50 HE1 MET 50 -19.532 26.312 7.351 342 HE2 MET 50 HE2 MET 50 -18.004 27.215 7.487 343 HE3 MET 50 HE3 MET 50 -18.104 25.788 6.427 344 H MET 51 H MET 51 -17.457 21.578 5.431 345 HA MET 51 HA MET 51 -15.370 21.166 3.599 346 HB2 MET 51 HB2 MET 51 -18.348 21.457 3.599 347 HB3 MET 51 HB3 MET 51 -17.590 21.958 2.100 348 HG2 MET 51 HG2 MET 51 -16.605 19.368 3.243 349 HG3 MET 51 HG3 MET 51 -18.259 19.360 2.663 350 HE1 MET 51 HE1 MET 51 -15.224 18.324 2.061 351 HE2 MET 51 HE2 MET 51 -14.939 18.293 0.304 352 HE3 MET 51 HE3 MET 51 -14.363 19.670 1.275 353 H SER 52 H SER 52 -13.876 22.898 3.641 354 HA SER 52 HA SER 52 -14.830 25.562 3.442 355 HB2 SER 52 HB2 SER 52 -12.637 24.664 4.550 356 HB3 SER 52 HB3 SER 52 -11.975 24.668 2.928 357 HG SER 52 HG SER 52 -12.582 26.824 4.630 358 H THR 53 H THR 53 -12.802 23.422 1.297 359 HA THR 53 HA THR 53 -12.987 25.160 -0.924 360 HB THR 53 HB THR 53 -12.281 22.192 -0.635 361 HG1 THR 53 HG1 THR 53 -10.772 24.696 -0.908 362 HG21 THR 53 HG21 THR 53 -12.788 23.000 -3.039 363 HG22 THR 53 HG22 THR 53 -11.447 24.151 -2.828 364 HG23 THR 53 HG23 THR 53 -11.135 22.400 -2.762 365 H ALA 54 H ALA 54 -14.902 25.753 -1.767 366 HA ALA 54 HA ALA 54 -17.115 23.957 -1.780 367 HB1 ALA 54 HB1 ALA 54 -16.826 26.661 -1.804 368 HB2 ALA 54 HB2 ALA 54 -17.107 26.362 -3.536 369 HB3 ALA 54 HB3 ALA 54 -18.305 25.826 -2.334 370 H ALA 55 H ALA 55 -15.789 22.175 -2.873 371 HA ALA 55 HA ALA 55 -16.188 22.447 -5.759 372 HB1 ALA 55 HB1 ALA 55 -14.036 21.683 -6.280 373 HB2 ALA 55 HB2 ALA 55 -13.731 22.781 -4.913 374 HB3 ALA 55 HB3 ALA 55 -13.767 21.022 -4.650 375 H ILE 56 H ILE 56 -18.208 21.298 -5.191 376 HA ILE 56 HA ILE 56 -17.780 18.561 -4.280 377 HB ILE 56 HB ILE 56 -20.337 20.108 -4.716 378 HG12 ILE 56 HG12 ILE 56 -19.626 19.482 -1.960 379 HG13 ILE 56 HG13 ILE 56 -18.413 20.491 -2.723 380 HG21 ILE 56 HG21 ILE 56 -21.517 18.309 -4.022 381 HG22 ILE 56 HG22 ILE 56 -20.122 17.428 -4.690 382 HG23 ILE 56 HG23 ILE 56 -20.225 17.734 -2.940 383 HD11 ILE 56 HD11 ILE 56 -19.804 22.299 -2.825 384 HD12 ILE 56 HD12 ILE 56 -21.190 21.316 -3.355 385 HD13 ILE 56 HD13 ILE 56 -20.779 21.417 -1.626 386 H ALA 57 H ALA 57 -16.697 17.800 -6.202 387 HA ALA 57 HA ALA 57 -18.589 16.948 -8.190 388 HB1 ALA 57 HB1 ALA 57 -18.157 18.569 -9.686 389 HB2 ALA 57 HB2 ALA 57 -16.922 19.285 -8.624 390 HB3 ALA 57 HB3 ALA 57 -16.477 17.986 -9.756 391 H ASN 58 H ASN 58 -18.152 14.805 -8.268 392 HA ASN 58 HA ASN 58 -17.052 12.947 -8.501 393 HB2 ASN 58 HB2 ASN 58 -15.616 14.352 -10.159 394 HB3 ASN 58 HB3 ASN 58 -14.441 14.494 -8.867 395 HD21 ASN 58 HD21 ASN 58 -12.906 13.374 -10.049 396 HD22 ASN 58 HD22 ASN 58 -12.946 11.657 -10.269 397 H GLY 59 H GLY 59 -17.338 12.412 -6.231 398 HA2 GLY 59 HA2 GLY 59 -15.344 11.597 -4.697 399 HA3 GLY 59 HA3 GLY 59 -15.313 13.310 -4.331 400 H GLY 60 H GLY 60 -16.400 10.469 -3.129 401 HA2 GLY 60 HA2 GLY 60 -18.397 11.751 -1.489 402 HA3 GLY 60 HA3 GLY 60 -19.053 10.555 -2.590 403 H GLY 61 H GLY 61 -16.615 11.074 0.014 404 HA2 GLY 61 HA2 GLY 61 -16.458 9.615 1.847 405 HA3 GLY 61 HA3 GLY 61 -17.053 8.294 0.861 406 H VAL 62 H VAL 62 -15.351 6.828 1.107 407 HA VAL 62 HA VAL 62 -12.659 7.536 1.099 408 HB VAL 62 HB VAL 62 -12.262 5.161 0.795 409 HG11 VAL 62 HG11 VAL 62 -13.617 4.306 2.701 410 HG12 VAL 62 HG12 VAL 62 -12.886 5.897 3.018 411 HG13 VAL 62 HG13 VAL 62 -14.615 5.777 2.613 412 HG21 VAL 62 HG21 VAL 62 -14.751 5.245 -0.621 413 HG22 VAL 62 HG22 VAL 62 -13.596 3.899 -0.467 414 HG23 VAL 62 HG23 VAL 62 -14.903 4.092 0.727 415 H ALA 63 H ALA 63 -11.101 6.483 -0.672 416 HA ALA 63 HA ALA 63 -10.227 7.018 -2.665 417 HB1 ALA 63 HB1 ALA 63 -12.298 5.057 -2.850 418 HB2 ALA 63 HB2 ALA 63 -12.362 6.045 -4.329 419 HB3 ALA 63 HB3 ALA 63 -10.848 5.229 -3.869 420 H ALA 64 H ALA 64 -10.337 9.353 -2.427 421 HA ALA 64 HA ALA 64 -11.626 10.595 -4.574 422 HB1 ALA 64 HB1 ALA 64 -13.189 10.346 -2.106 423 HB2 ALA 64 HB2 ALA 64 -12.950 12.043 -2.588 424 HB3 ALA 64 HB3 ALA 64 -13.694 10.892 -3.723 425 H GLY 65 H GLY 65 -9.854 11.810 -5.055 426 HA2 GLY 65 HA2 GLY 65 -9.062 14.092 -4.204 427 HA3 GLY 65 HA3 GLY 65 -8.478 13.171 -2.832 428 H SER 66 H SER 66 -6.723 14.663 -4.490 429 HA SER 66 HA SER 66 -5.629 13.405 -6.606 430 HB2 SER 66 HB2 SER 66 -5.034 15.657 -5.352 431 HB3 SER 66 HB3 SER 66 -3.839 14.679 -4.524 432 HG SER 66 HG SER 66 -3.966 14.475 -7.366 433 H LEU 67 H LEU 67 -5.476 12.522 -3.183 434 HA LEU 67 HA LEU 67 -3.197 11.022 -3.067 435 HB2 LEU 67 HB2 LEU 67 -5.848 10.950 -1.712 436 HB3 LEU 67 HB3 LEU 67 -4.776 9.582 -1.483 437 HG LEU 67 HG LEU 67 -3.036 11.576 -0.959 438 HD11 LEU 67 HD11 LEU 67 -5.272 12.767 0.526 439 HD12 LEU 67 HD12 LEU 67 -3.905 13.535 -0.317 440 HD13 LEU 67 HD13 LEU 67 -5.345 13.030 -1.233 441 HD21 LEU 67 HD21 LEU 67 -5.000 10.394 1.024 442 HD22 LEU 67 HD22 LEU 67 -3.489 9.640 0.461 443 HD23 LEU 67 HD23 LEU 67 -3.433 11.141 1.416 444 H VAL 68 H VAL 68 -6.404 10.171 -4.457 445 HA VAL 68 HA VAL 68 -6.162 7.519 -4.843 446 HB VAL 68 HB VAL 68 -7.543 7.823 -6.833 447 HG11 VAL 68 HG11 VAL 68 -8.066 9.068 -4.233 448 HG12 VAL 68 HG12 VAL 68 -9.058 9.752 -5.543 449 HG13 VAL 68 HG13 VAL 68 -9.093 8.001 -5.221 450 HG21 VAL 68 HG21 VAL 68 -6.346 10.533 -6.774 451 HG22 VAL 68 HG22 VAL 68 -6.922 9.558 -8.147 452 HG23 VAL 68 HG23 VAL 68 -8.084 10.466 -7.151 453 H ALA 69 H ALA 69 -4.454 10.136 -6.605 454 HA ALA 69 HA ALA 69 -3.424 8.660 -8.688 455 HB1 ALA 69 HB1 ALA 69 -3.245 11.073 -8.580 456 HB2 ALA 69 HB2 ALA 69 -2.264 10.981 -7.098 457 HB3 ALA 69 HB3 ALA 69 -1.600 10.396 -8.643 458 H ILE 70 H ILE 70 -1.963 9.279 -5.416 459 HA ILE 70 HA ILE 70 0.186 7.496 -5.907 460 HB ILE 70 HB ILE 70 0.968 8.138 -3.873 461 HG12 ILE 70 HG12 ILE 70 -0.712 8.998 -2.047 462 HG13 ILE 70 HG13 ILE 70 -1.899 8.099 -2.972 463 HG21 ILE 70 HG21 ILE 70 -0.888 10.453 -3.921 464 HG22 ILE 70 HG22 ILE 70 0.891 10.398 -3.898 465 HG23 ILE 70 HG23 ILE 70 0.012 10.116 -5.420 466 HD11 ILE 70 HD11 ILE 70 -0.408 6.961 -1.019 467 HD12 ILE 70 HD12 ILE 70 -0.984 6.047 -2.434 468 HD13 ILE 70 HD13 ILE 70 0.679 6.680 -2.400 469 H LEU 71 H LEU 71 -3.144 7.169 -4.823 470 HA LEU 71 HA LEU 71 -2.953 4.857 -3.323 471 HB2 LEU 71 HB2 LEU 71 -4.923 6.425 -3.733 472 HB3 LEU 71 HB3 LEU 71 -5.212 5.515 -5.203 473 HG LEU 71 HG LEU 71 -5.233 3.433 -3.623 474 HD11 LEU 71 HD11 LEU 71 -6.023 3.885 -1.359 475 HD12 LEU 71 HD12 LEU 71 -4.413 4.595 -1.629 476 HD13 LEU 71 HD13 LEU 71 -5.857 5.636 -1.637 477 HD21 LEU 71 HD21 LEU 71 -7.198 5.102 -4.707 478 HD22 LEU 71 HD22 LEU 71 -7.401 3.439 -4.105 479 HD23 LEU 71 HD23 LEU 71 -7.704 4.820 -3.024 480 H GLN 72 H GLN 72 -3.692 5.148 -6.874 481 HA GLN 72 HA GLN 72 -3.376 2.372 -7.223 482 HB2 GLN 72 HB2 GLN 72 -4.411 4.543 -8.709 483 HB3 GLN 72 HB3 GLN 72 -3.079 3.942 -9.677 484 HG2 GLN 72 HG2 GLN 72 -4.016 1.616 -9.498 485 HG3 GLN 72 HG3 GLN 72 -5.363 2.242 -8.568 486 HE21 GLN 72 HE21 GLN 72 -6.736 1.395 -10.187 487 HE22 GLN 72 HE22 GLN 72 -7.022 2.238 -11.673 488 H SER 73 H SER 73 -1.336 5.281 -7.891 489 HA SER 73 HA SER 73 0.673 4.067 -9.253 490 HB2 SER 73 HB2 SER 73 0.313 6.561 -8.636 491 HB3 SER 73 HB3 SER 73 1.159 6.204 -7.144 492 HG SER 73 HG SER 73 2.719 6.925 -8.601 493 H VAL 74 H VAL 74 0.905 4.927 -5.720 494 HA VAL 74 HA VAL 74 3.038 3.173 -5.260 495 HB VAL 74 HB VAL 74 1.033 4.484 -3.417 496 HG11 VAL 74 HG11 VAL 74 3.645 3.095 -2.726 497 HG12 VAL 74 HG12 VAL 74 2.642 4.043 -1.601 498 HG13 VAL 74 HG13 VAL 74 2.008 2.536 -2.306 499 HG21 VAL 74 HG21 VAL 74 2.399 6.305 -3.338 500 HG22 VAL 74 HG22 VAL 74 3.880 5.346 -3.574 501 HG23 VAL 74 HG23 VAL 74 2.841 5.735 -4.965 502 H GLY 75 H GLY 75 -0.478 2.760 -5.348 503 HA2 GLY 75 HA2 GLY 75 -0.789 0.480 -3.800 504 HA3 GLY 75 HA3 GLY 75 -1.768 0.929 -5.182 505 H ALA 76 H ALA 76 -0.731 0.468 -7.430 506 HA ALA 76 HA ALA 76 -0.079 -2.280 -7.498 507 HB1 ALA 76 HB1 ALA 76 0.349 -0.391 -9.808 508 HB2 ALA 76 HB2 ALA 76 -0.307 -2.046 -9.806 509 HB3 ALA 76 HB3 ALA 76 -1.300 -0.693 -9.211 510 H ALA 77 H ALA 77 1.802 0.690 -8.443 511 HA ALA 77 HA ALA 77 4.172 -0.483 -9.027 512 HB1 ALA 77 HB1 ALA 77 5.124 1.659 -8.708 513 HB2 ALA 77 HB2 ALA 77 3.415 1.992 -9.079 514 HB3 ALA 77 HB3 ALA 77 3.991 2.064 -7.396 515 H GLY 78 H GLY 78 3.343 0.873 -5.750 516 HA2 GLY 78 HA2 GLY 78 5.493 -0.050 -4.349 517 HA3 GLY 78 HA3 GLY 78 3.882 0.145 -3.687 518 H LEU 79 H LEU 79 2.272 -1.738 -4.306 519 HA LEU 79 HA LEU 79 3.021 -4.016 -3.096 520 HB2 LEU 79 HB2 LEU 79 0.748 -3.203 -3.999 521 HB3 LEU 79 HB3 LEU 79 1.174 -4.059 -5.467 522 HG LEU 79 HG LEU 79 1.071 -5.365 -2.736 523 HD11 LEU 79 HD11 LEU 79 -1.111 -6.100 -3.138 524 HD12 LEU 79 HD12 LEU 79 -1.134 -4.386 -3.617 525 HD13 LEU 79 HD13 LEU 79 -1.048 -5.656 -4.860 526 HD21 LEU 79 HD21 LEU 79 1.634 -6.326 -5.507 527 HD22 LEU 79 HD22 LEU 79 2.358 -6.804 -3.953 528 HD23 LEU 79 HD23 LEU 79 0.741 -7.398 -4.401 529 H SER 80 H SER 80 3.743 -3.018 -6.440 530 HA SER 80 HA SER 80 4.540 -5.524 -7.336 531 HB2 SER 80 HB2 SER 80 4.279 -2.967 -8.417 532 HB3 SER 80 HB3 SER 80 6.010 -3.231 -8.488 533 HG SER 80 HG SER 80 5.418 -4.205 -10.340 534 H VAL 81 H VAL 81 6.746 -2.690 -6.767 535 HA VAL 81 HA VAL 81 9.081 -4.040 -6.632 536 HB VAL 81 HB VAL 81 8.637 -1.562 -6.575 537 HG11 VAL 81 HG11 VAL 81 8.107 -2.221 -3.680 538 HG12 VAL 81 HG12 VAL 81 8.741 -0.626 -4.154 539 HG13 VAL 81 HG13 VAL 81 7.176 -1.188 -4.792 540 HG21 VAL 81 HG21 VAL 81 10.871 -2.907 -6.044 541 HG22 VAL 81 HG22 VAL 81 10.787 -1.135 -5.908 542 HG23 VAL 81 HG23 VAL 81 10.658 -2.147 -4.449 543 H THR 82 H THR 82 6.453 -4.008 -4.270 544 HA THR 82 HA THR 82 7.972 -4.929 -2.066 545 HB THR 82 HB THR 82 5.026 -4.839 -2.843 546 HG1 THR 82 HG1 THR 82 5.190 -3.160 -1.253 547 HG21 THR 82 HG21 THR 82 5.465 -6.829 -1.288 548 HG22 THR 82 HG22 THR 82 6.173 -5.676 -0.131 549 HG23 THR 82 HG23 THR 82 4.454 -5.549 -0.576 550 H SER 83 H SER 83 5.351 -6.875 -3.573 551 HA SER 83 HA SER 83 6.287 -9.252 -2.763 552 HB2 SER 83 HB2 SER 83 4.269 -8.325 -4.495 553 HB3 SER 83 HB3 SER 83 5.188 -9.444 -5.481 554 HG SER 83 HG SER 83 4.456 -10.216 -2.819 555 H LYS 84 H LYS 84 7.105 -7.510 -5.832 556 HA LYS 84 HA LYS 84 8.629 -9.442 -7.032 557 HB2 LYS 84 HB2 LYS 84 8.714 -6.430 -7.067 558 HB3 LYS 84 HB3 LYS 84 9.876 -7.367 -7.983 559 HG2 LYS 84 HG2 LYS 84 7.005 -8.194 -8.255 560 HG3 LYS 84 HG3 LYS 84 7.432 -6.647 -8.959 561 HD2 LYS 84 HD2 LYS 84 9.430 -7.900 -10.072 562 HD3 LYS 84 HD3 LYS 84 8.611 -9.378 -9.608 563 HE2 LYS 84 HE2 LYS 84 7.469 -9.180 -11.571 564 HE3 LYS 84 HE3 LYS 84 6.540 -7.929 -10.769 565 HZ1 LYS 84 HZ1 LYS 84 7.452 -6.421 -12.140 566 HZ2 LYS 84 HZ2 LYS 84 8.970 -6.827 -11.712 567 HZ3 LYS 84 HZ3 LYS 84 8.216 -7.645 -12.912 568 H VAL 85 H VAL 85 9.666 -6.935 -4.627 569 HA VAL 85 HA VAL 85 12.338 -7.724 -4.562 570 HB VAL 85 HB VAL 85 10.483 -6.216 -2.758 571 HG11 VAL 85 HG11 VAL 85 13.065 -7.455 -1.979 572 HG12 VAL 85 HG12 VAL 85 12.865 -5.737 -1.556 573 HG13 VAL 85 HG13 VAL 85 11.687 -6.940 -0.978 574 HG21 VAL 85 HG21 VAL 85 11.518 -4.352 -3.565 575 HG22 VAL 85 HG22 VAL 85 13.100 -5.155 -3.715 576 HG23 VAL 85 HG23 VAL 85 11.839 -5.436 -4.939 577 H ILE 86 H ILE 86 9.400 -9.032 -3.050 578 HA ILE 86 HA ILE 86 10.810 -10.612 -1.148 579 HB ILE 86 HB ILE 86 7.975 -10.609 -2.174 580 HG12 ILE 86 HG12 ILE 86 9.101 -9.769 0.512 581 HG13 ILE 86 HG13 ILE 86 8.792 -8.661 -0.811 582 HG21 ILE 86 HG21 ILE 86 9.387 -12.631 -0.594 583 HG22 ILE 86 HG22 ILE 86 7.933 -11.990 0.208 584 HG23 ILE 86 HG23 ILE 86 7.811 -12.703 -1.418 585 HD11 ILE 86 HD11 ILE 86 6.912 -9.790 1.098 586 HD12 ILE 86 HD12 ILE 86 6.648 -8.504 -0.104 587 HD13 ILE 86 HD13 ILE 86 6.420 -10.210 -0.560 588 H GLY 87 H GLY 87 8.840 -11.566 -4.055 589 HA2 GLY 87 HA2 GLY 87 10.290 -12.888 -5.679 590 HA3 GLY 87 HA3 GLY 87 10.588 -13.931 -4.302 591 H GLY 88 H GLY 88 7.895 -12.464 -6.235 592 HA2 GLY 88 HA2 GLY 88 5.760 -13.170 -6.543 593 HA3 GLY 88 HA3 GLY 88 6.568 -14.658 -6.995 594 H PHE 89 H PHE 89 4.891 -16.030 -6.206 595 HA PHE 89 HA PHE 89 4.663 -16.019 -3.278 596 HB2 PHE 89 HB2 PHE 89 2.663 -15.484 -5.038 597 HB3 PHE 89 HB3 PHE 89 2.631 -17.229 -5.198 598 HD1 PHE 89 HD1 PHE 89 2.583 -14.595 -2.554 599 HD2 PHE 89 HD2 PHE 89 1.289 -18.451 -3.765 600 HE1 PHE 89 HE1 PHE 89 1.145 -14.757 -0.503 601 HE2 PHE 89 HE2 PHE 89 -0.149 -18.613 -1.715 602 HZ PHE 89 HZ PHE 89 -0.204 -16.764 -0.108 603 H ALA 90 H ALA 90 6.569 -17.450 -3.225 604 HA ALA 90 HA ALA 90 5.748 -20.207 -3.695 605 HB1 ALA 90 HB1 ALA 90 8.559 -19.683 -4.415 606 HB2 ALA 90 HB2 ALA 90 7.330 -20.666 -5.247 607 HB3 ALA 90 HB3 ALA 90 7.387 -18.906 -5.507 608 H GLY 91 H GLY 91 7.070 -21.748 -2.414 609 HA2 GLY 91 HA2 GLY 91 7.292 -21.224 0.198 610 HA3 GLY 91 HA3 GLY 91 8.343 -22.352 -0.634 611 H THR 92 H THR 92 10.248 -21.198 -1.924 612 HA THR 92 HA THR 92 12.001 -20.129 -0.160 613 HB THR 92 HB THR 92 12.508 -20.971 -2.465 614 HG1 THR 92 HG1 THR 92 13.159 -18.142 -2.033 615 HG21 THR 92 HG21 THR 92 10.532 -19.266 -3.367 616 HG22 THR 92 HG22 THR 92 11.985 -18.277 -3.649 617 HG23 THR 92 HG23 THR 92 11.844 -19.887 -4.397 618 H ALA 93 H ALA 93 12.956 -17.952 0.070 619 HA ALA 93 HA ALA 93 12.778 -15.821 0.635 620 HB1 ALA 93 HB1 ALA 93 11.165 -16.054 -1.844 621 HB2 ALA 93 HB2 ALA 93 10.825 -14.613 -0.857 622 HB3 ALA 93 HB3 ALA 93 12.479 -14.926 -1.435 623 H LEU 94 H LEU 94 11.463 -14.275 1.896 624 HA LEU 94 HA LEU 94 9.925 -13.745 3.391 625 HB2 LEU 94 HB2 LEU 94 8.443 -14.543 1.324 626 HB3 LEU 94 HB3 LEU 94 7.964 -15.783 2.466 627 HG LEU 94 HG LEU 94 7.829 -12.844 3.153 628 HD11 LEU 94 HD11 LEU 94 5.308 -13.202 2.629 629 HD12 LEU 94 HD12 LEU 94 6.440 -12.846 1.302 630 HD13 LEU 94 HD13 LEU 94 5.891 -14.516 1.579 631 HD21 LEU 94 HD21 LEU 94 6.028 -14.960 4.265 632 HD22 LEU 94 HD22 LEU 94 7.702 -14.844 4.859 633 HD23 LEU 94 HD23 LEU 94 6.609 -13.446 4.999 634 H GLY 95 H GLY 95 10.789 -14.303 5.335 635 HA2 GLY 95 HA2 GLY 95 10.160 -15.730 7.239 636 HA3 GLY 95 HA3 GLY 95 10.410 -17.112 6.190 637 H ALA 96 H ALA 96 11.835 -15.192 8.567 638 HA ALA 96 HA ALA 96 13.856 -15.289 9.491 639 HB1 ALA 96 HB1 ALA 96 15.412 -16.967 8.904 640 HB2 ALA 96 HB2 ALA 96 13.835 -17.674 8.477 641 HB3 ALA 96 HB3 ALA 96 14.878 -16.994 7.206 642 H TRP 97 H TRP 97 14.584 -15.465 5.932 643 HA TRP 97 HA TRP 97 15.111 -12.686 5.768 644 HB2 TRP 97 HB2 TRP 97 17.315 -12.495 6.035 645 HB3 TRP 97 HB3 TRP 97 17.145 -13.933 7.022 646 HD1 TRP 97 HD1 TRP 97 18.955 -12.710 3.986 647 HE1 TRP 97 HE1 TRP 97 20.315 -14.612 2.763 648 HE3 TRP 97 HE3 TRP 97 16.810 -16.580 6.492 649 HZ2 TRP 97 HZ2 TRP 97 20.341 -17.458 2.977 650 HZ3 TRP 97 HZ3 TRP 97 17.559 -18.889 5.924 651 HH2 TRP 97 HH2 TRP 97 19.261 -19.359 4.234 652 H LEU 98 H LEU 98 15.860 -12.158 3.500 653 HA LEU 98 HA LEU 98 14.430 -13.583 1.628 654 HB2 LEU 98 HB2 LEU 98 15.550 -11.196 1.667 655 HB3 LEU 98 HB3 LEU 98 16.853 -12.024 0.837 656 HG LEU 98 HG LEU 98 14.639 -12.860 -0.584 657 HD11 LEU 98 HD11 LEU 98 12.951 -11.511 0.077 658 HD12 LEU 98 HD12 LEU 98 14.045 -10.239 0.673 659 HD13 LEU 98 HD13 LEU 98 13.712 -10.381 -1.070 660 HD21 LEU 98 HD21 LEU 98 16.596 -12.292 -1.727 661 HD22 LEU 98 HD22 LEU 98 15.419 -11.061 -2.245 662 HD23 LEU 98 HD23 LEU 98 16.650 -10.658 -1.024 663 H GLY 99 H GLY 99 14.692 -15.742 1.290 664 HA2 GLY 99 HA2 GLY 99 17.329 -16.930 1.364 665 HA3 GLY 99 HA3 GLY 99 15.793 -17.735 1.112 666 H SER 100 H SER 100 18.586 -17.512 -0.377 667 HA SER 100 HA SER 100 17.797 -18.247 -2.810 668 HB2 SER 100 HB2 SER 100 17.335 -15.395 -2.513 669 HB3 SER 100 HB3 SER 100 18.565 -15.654 -3.735 670 HG SER 100 HG SER 100 17.150 -16.762 -5.015 671 HA PRO 101 HA PRO 101 22.258 -16.608 -2.830 672 HB2 PRO 101 HB2 PRO 101 23.132 -14.983 -0.814 673 HB3 PRO 101 HB3 PRO 101 22.548 -14.375 -2.350 674 HG2 PRO 101 HG2 PRO 101 21.195 -14.375 0.278 675 HG3 PRO 101 HG3 PRO 101 20.831 -13.417 -1.144 676 HD2 PRO 101 HD2 PRO 101 19.398 -15.721 -0.213 677 HD3 PRO 101 HD3 PRO 101 19.106 -14.833 -1.696 678 HA PRO 102 HA PRO 102 23.204 -19.852 -0.156 679 HB2 PRO 102 HB2 PRO 102 25.051 -21.092 -1.744 680 HB3 PRO 102 HB3 PRO 102 23.331 -21.415 -1.842 681 HG2 PRO 102 HG2 PRO 102 25.030 -19.846 -3.684 682 HG3 PRO 102 HG3 PRO 102 23.442 -20.530 -3.969 683 HD2 PRO 102 HD2 PRO 102 24.055 -17.779 -3.441 684 HD3 PRO 102 HD3 PRO 102 22.460 -18.483 -3.611 685 H SER 103 H SER 103 25.743 -18.130 -1.893 686 HA SER 103 HA SER 103 26.872 -17.189 0.435 687 HB2 SER 103 HB2 SER 103 27.867 -19.866 -0.463 688 HB3 SER 103 HB3 SER 103 29.097 -18.698 -0.024 689 HG SER 103 HG SER 103 28.163 -20.148 1.732 690 H SER 104 H SER 104 27.958 -15.371 -0.246 691 HA SER 104 HA SER 104 29.090 -15.504 -2.932 692 HB2 SER 104 HB2 SER 104 26.992 -14.046 -2.612 693 HB3 SER 104 HB3 SER 104 27.977 -12.995 -1.614 694 HG SER 104 HG SER 104 28.506 -13.685 -4.380 Start of MODEL 9 1 H MET 1 H1 MET 1 -2.106 -17.968 -8.119 2 HA MET 1 HA MET 1 -1.096 -19.784 -6.335 3 HB2 MET 1 HB2 MET 1 -2.312 -17.937 -4.805 4 HB3 MET 1 HB3 MET 1 -3.770 -18.778 -5.292 5 HG2 MET 1 HG2 MET 1 -3.347 -20.207 -3.564 6 HG3 MET 1 HG3 MET 1 -2.094 -20.891 -4.581 7 HE1 MET 1 HE1 MET 1 0.179 -21.131 -2.037 8 HE2 MET 1 HE2 MET 1 -1.239 -20.792 -1.016 9 HE3 MET 1 HE3 MET 1 -1.427 -21.732 -2.515 10 H GLY 2 H GLY 2 -4.336 -18.583 -7.479 11 HA2 GLY 2 HA2 GLY 2 -4.697 -20.497 -9.450 12 HA3 GLY 2 HA3 GLY 2 -5.361 -21.182 -7.980 13 H LYS 3 H LYS 3 -7.299 -20.378 -7.094 14 HA LYS 3 HA LYS 3 -8.788 -18.675 -8.893 15 HB2 LYS 3 HB2 LYS 3 -9.448 -20.486 -6.593 16 HB3 LYS 3 HB3 LYS 3 -10.591 -19.239 -7.049 17 HG2 LYS 3 HG2 LYS 3 -10.894 -20.132 -9.236 18 HG3 LYS 3 HG3 LYS 3 -9.398 -21.043 -9.177 19 HD2 LYS 3 HD2 LYS 3 -11.282 -21.798 -7.023 20 HD3 LYS 3 HD3 LYS 3 -11.948 -22.051 -8.624 21 HE2 LYS 3 HE2 LYS 3 -9.311 -23.015 -8.847 22 HE3 LYS 3 HE3 LYS 3 -9.799 -23.523 -7.243 23 HZ1 LYS 3 HZ1 LYS 3 -11.965 -24.232 -8.550 24 HZ2 LYS 3 HZ2 LYS 3 -10.950 -24.297 -9.822 25 HZ3 LYS 3 HZ3 LYS 3 -10.632 -25.178 -8.480 26 H GLU 4 H GLU 4 -7.050 -16.929 -8.304 27 HA GLU 4 HA GLU 4 -7.741 -15.680 -5.784 28 HB2 GLU 4 HB2 GLU 4 -5.309 -16.084 -6.619 29 HB3 GLU 4 HB3 GLU 4 -5.593 -14.750 -7.720 30 HG2 GLU 4 HG2 GLU 4 -6.446 -14.125 -4.962 31 HG3 GLU 4 HG3 GLU 4 -4.746 -14.540 -5.053 32 H SER 5 H SER 5 -9.776 -14.730 -6.196 33 HA SER 5 HA SER 5 -9.814 -12.870 -8.435 34 HB2 SER 5 HB2 SER 5 -11.976 -14.385 -6.953 35 HB3 SER 5 HB3 SER 5 -12.387 -12.923 -7.825 36 HG SER 5 HG SER 5 -10.877 -14.328 -9.519 37 H GLY 6 H GLY 6 -8.564 -11.259 -7.196 38 HA2 GLY 6 HA2 GLY 6 -8.737 -9.195 -6.199 39 HA3 GLY 6 HA3 GLY 6 -10.300 -9.623 -5.533 40 H TRP 7 H TRP 7 -10.249 -11.473 -3.806 41 HA TRP 7 HA TRP 7 -7.869 -12.001 -2.428 42 HB2 TRP 7 HB2 TRP 7 -8.399 -10.654 -0.362 43 HB3 TRP 7 HB3 TRP 7 -7.705 -9.787 -1.718 44 HD1 TRP 7 HD1 TRP 7 -9.108 -7.733 -2.634 45 HE1 TRP 7 HE1 TRP 7 -11.416 -6.572 -2.098 46 HE3 TRP 7 HE3 TRP 7 -10.829 -11.392 0.449 47 HZ2 TRP 7 HZ2 TRP 7 -13.653 -7.298 -0.481 48 HZ3 TRP 7 HZ3 TRP 7 -13.085 -11.088 1.466 49 HH2 TRP 7 HH2 TRP 7 -14.482 -9.127 1.045 50 H ASP 8 H ASP 8 -8.307 -13.500 -0.684 51 HA ASP 8 HA ASP 8 -11.133 -14.184 -0.479 52 HB2 ASP 8 HB2 ASP 8 -9.495 -15.755 -1.847 53 HB3 ASP 8 HB3 ASP 8 -8.917 -16.246 -0.267 54 H SER 9 H SER 9 -11.248 -13.022 1.577 55 HA SER 9 HA SER 9 -10.499 -14.547 3.780 56 HB2 SER 9 HB2 SER 9 -8.462 -12.746 2.858 57 HB3 SER 9 HB3 SER 9 -9.105 -12.078 4.344 58 HG SER 9 HG SER 9 -7.373 -13.547 4.793 59 H GLY 10 H GLY 10 -11.998 -14.065 5.369 60 HA2 GLY 10 HA2 GLY 10 -13.731 -11.775 4.928 61 HA3 GLY 10 HA3 GLY 10 -13.960 -13.093 6.059 62 H ARG 11 H ARG 11 -13.245 -12.908 8.198 63 HA ARG 11 HA ARG 11 -12.672 -10.289 9.030 64 HB2 ARG 11 HB2 ARG 11 -13.972 -12.080 10.330 65 HB3 ARG 11 HB3 ARG 11 -12.440 -12.863 10.664 66 HG2 ARG 11 HG2 ARG 11 -11.641 -10.625 11.655 67 HG3 ARG 11 HG3 ARG 11 -13.296 -10.063 11.520 68 HD2 ARG 11 HD2 ARG 11 -14.088 -11.552 13.165 69 HD3 ARG 11 HD3 ARG 11 -12.798 -12.708 12.897 70 HE ARG 11 HE ARG 11 -11.507 -11.570 14.473 71 HH11 ARG 11 HH22 ARG 11 -14.022 -9.370 13.297 72 HH12 ARG 11 HH21 ARG 11 -13.617 -8.109 14.413 73 HH21 ARG 11 HH12 ARG 11 -10.990 -9.925 15.918 74 HH22 ARG 11 HH11 ARG 11 -11.876 -8.434 15.914 75 H ALA 12 H ALA 12 -10.828 -13.428 9.180 76 HA ALA 12 HA ALA 12 -8.530 -12.663 10.317 77 HB1 ALA 12 HB1 ALA 12 -9.006 -14.444 7.901 78 HB2 ALA 12 HB2 ALA 12 -7.438 -14.337 8.738 79 HB3 ALA 12 HB3 ALA 12 -8.874 -14.928 9.608 80 H ALA 13 H ALA 13 -9.709 -11.768 7.067 81 HA ALA 13 HA ALA 13 -7.484 -10.896 5.825 82 HB1 ALA 13 HB1 ALA 13 -10.181 -10.689 5.434 83 HB2 ALA 13 HB2 ALA 13 -9.760 -8.991 5.758 84 HB3 ALA 13 HB3 ALA 13 -8.961 -9.867 4.431 85 H VAL 14 H VAL 14 -9.496 -8.856 8.072 86 HA VAL 14 HA VAL 14 -7.941 -6.643 8.130 87 HB VAL 14 HB VAL 14 -9.444 -7.997 10.376 88 HG11 VAL 14 HG11 VAL 14 -7.737 -6.288 11.136 89 HG12 VAL 14 HG12 VAL 14 -8.664 -5.071 10.226 90 HG13 VAL 14 HG13 VAL 14 -9.424 -5.938 11.582 91 HG21 VAL 14 HG21 VAL 14 -11.265 -7.398 9.236 92 HG22 VAL 14 HG22 VAL 14 -10.785 -5.695 9.424 93 HG23 VAL 14 HG23 VAL 14 -10.272 -6.611 7.986 94 H ALA 15 H ALA 15 -7.475 -9.704 9.990 95 HA ALA 15 HA ALA 15 -5.370 -8.874 11.567 96 HB1 ALA 15 HB1 ALA 15 -6.799 -11.158 11.247 97 HB2 ALA 15 HB2 ALA 15 -5.281 -11.637 10.451 98 HB3 ALA 15 HB3 ALA 15 -5.262 -11.085 12.143 99 H ALA 16 H ALA 16 -5.355 -10.283 8.228 100 HA ALA 16 HA ALA 16 -2.563 -10.257 7.969 101 HB1 ALA 16 HB1 ALA 16 -4.924 -10.384 6.086 102 HB2 ALA 16 HB2 ALA 16 -3.266 -10.267 5.449 103 HB3 ALA 16 HB3 ALA 16 -3.729 -11.644 6.479 104 H VAL 17 H VAL 17 -5.030 -7.754 7.811 105 HA VAL 17 HA VAL 17 -3.368 -5.948 6.310 106 HB VAL 17 HB VAL 17 -5.996 -5.634 7.772 107 HG11 VAL 17 HG11 VAL 17 -5.041 -3.464 7.748 108 HG12 VAL 17 HG12 VAL 17 -4.409 -3.673 6.097 109 HG13 VAL 17 HG13 VAL 17 -6.162 -3.512 6.367 110 HG21 VAL 17 HG21 VAL 17 -5.244 -6.620 5.128 111 HG22 VAL 17 HG22 VAL 17 -6.800 -6.718 5.986 112 HG23 VAL 17 HG23 VAL 17 -6.394 -5.263 5.043 113 H VAL 18 H VAL 18 -3.828 -6.941 9.635 114 HA VAL 18 HA VAL 18 -2.971 -4.527 10.838 115 HB VAL 18 HB VAL 18 -3.070 -7.396 11.782 116 HG11 VAL 18 HG11 VAL 18 -1.836 -5.062 13.006 117 HG12 VAL 18 HG12 VAL 18 -3.147 -5.716 14.017 118 HG13 VAL 18 HG13 VAL 18 -1.803 -6.768 13.513 119 HG21 VAL 18 HG21 VAL 18 -5.280 -6.876 11.622 120 HG22 VAL 18 HG22 VAL 18 -4.966 -6.120 13.202 121 HG23 VAL 18 HG23 VAL 18 -4.993 -5.123 11.728 122 H GLY 19 H GLY 19 -1.304 -7.697 10.203 123 HA2 GLY 19 HA2 GLY 19 1.189 -7.164 11.102 124 HA3 GLY 19 HA3 GLY 19 0.851 -8.108 9.664 125 H GLY 20 H GLY 20 2.155 -5.142 10.923 126 HA2 GLY 20 HA2 GLY 20 3.773 -4.084 9.435 127 HA3 GLY 20 HA3 GLY 20 2.573 -4.163 8.161 128 H VAL 21 H VAL 21 2.029 -3.332 11.635 129 HA VAL 21 HA VAL 21 0.418 -1.140 11.010 130 HB VAL 21 HB VAL 21 1.893 -1.967 13.512 131 HG11 VAL 21 HG11 VAL 21 0.094 -0.443 14.608 132 HG12 VAL 21 HG12 VAL 21 1.553 0.306 13.916 133 HG13 VAL 21 HG13 VAL 21 0.019 0.342 13.012 134 HG21 VAL 21 HG21 VAL 21 0.020 -3.410 12.470 135 HG22 VAL 21 HG22 VAL 21 -0.098 -2.999 14.198 136 HG23 VAL 21 HG23 VAL 21 -1.080 -2.117 13.004 137 H VAL 22 H VAL 22 3.736 -1.143 12.507 138 HA VAL 22 HA VAL 22 4.205 1.532 12.330 139 HB VAL 22 HB VAL 22 6.054 -0.839 12.056 140 HG11 VAL 22 HG11 VAL 22 7.866 0.799 12.726 141 HG12 VAL 22 HG12 VAL 22 7.256 0.965 11.062 142 HG13 VAL 22 HG13 VAL 22 6.726 2.105 12.322 143 HG21 VAL 22 HG21 VAL 22 4.635 -0.292 14.192 144 HG22 VAL 22 HG22 VAL 22 6.354 -0.727 14.352 145 HG23 VAL 22 HG23 VAL 22 5.854 0.979 14.444 146 H ALA 23 H ALA 23 4.767 -0.998 9.803 147 HA ALA 23 HA ALA 23 5.960 0.599 7.912 148 HB1 ALA 23 HB1 ALA 23 5.507 -1.158 6.432 149 HB2 ALA 23 HB2 ALA 23 5.432 -1.967 8.016 150 HB3 ALA 23 HB3 ALA 23 3.930 -1.512 7.176 151 H VAL 24 H VAL 24 2.466 0.134 8.683 152 HA VAL 24 HA VAL 24 1.531 1.680 6.527 153 HB VAL 24 HB VAL 24 0.473 0.044 8.470 154 HG11 VAL 24 HG11 VAL 24 -0.824 2.740 8.913 155 HG12 VAL 24 HG12 VAL 24 -1.044 1.230 9.829 156 HG13 VAL 24 HG13 VAL 24 0.482 2.137 9.961 157 HG21 VAL 24 HG21 VAL 24 -1.432 0.088 7.172 158 HG22 VAL 24 HG22 VAL 24 -1.359 1.849 6.925 159 HG23 VAL 24 HG23 VAL 24 -0.248 0.779 6.037 160 H GLY 25 H GLY 25 2.764 2.433 9.780 161 HA2 GLY 25 HA2 GLY 25 1.758 5.079 9.929 162 HA3 GLY 25 HA3 GLY 25 3.069 4.385 10.862 163 H THR 26 H THR 26 4.925 3.651 8.869 164 HA THR 26 HA THR 26 6.175 6.108 8.367 165 HB THR 26 HB THR 26 6.562 3.239 7.395 166 HG1 THR 26 HG1 THR 26 7.246 3.504 9.527 167 HG21 THR 26 HG21 THR 26 8.186 3.922 5.943 168 HG22 THR 26 HG22 THR 26 7.692 5.611 6.215 169 HG23 THR 26 HG23 THR 26 8.951 4.876 7.237 170 H VAL 27 H VAL 27 4.487 3.844 6.091 171 HA VAL 27 HA VAL 27 4.824 5.371 3.829 172 HB VAL 27 HB VAL 27 4.027 3.080 3.853 173 HG11 VAL 27 HG11 VAL 27 1.761 2.483 4.510 174 HG12 VAL 27 HG12 VAL 27 2.608 3.240 5.880 175 HG13 VAL 27 HG13 VAL 27 1.412 4.172 4.948 176 HG21 VAL 27 HG21 VAL 27 1.654 4.057 2.558 177 HG22 VAL 27 HG22 VAL 27 2.996 5.187 2.253 178 HG23 VAL 27 HG23 VAL 27 3.168 3.466 1.833 179 H LEU 28 H LEU 28 2.163 5.470 6.287 180 HA LEU 28 HA LEU 28 0.608 7.381 5.080 181 HB2 LEU 28 HB2 LEU 28 0.929 6.201 7.709 182 HB3 LEU 28 HB3 LEU 28 0.473 7.889 7.823 183 HG LEU 28 HG LEU 28 -1.458 6.355 7.863 184 HD11 LEU 28 HD11 LEU 28 -2.815 7.525 6.143 185 HD12 LEU 28 HD12 LEU 28 -1.826 8.621 7.137 186 HD13 LEU 28 HD13 LEU 28 -1.317 8.219 5.479 187 HD21 LEU 28 HD21 LEU 28 -1.918 4.781 6.317 188 HD22 LEU 28 HD22 LEU 28 -1.306 5.766 4.966 189 HD23 LEU 28 HD23 LEU 28 -0.168 4.876 6.006 190 H VAL 29 H VAL 29 3.321 7.874 7.443 191 HA VAL 29 HA VAL 29 3.258 10.591 7.574 192 HB VAL 29 HB VAL 29 5.598 8.680 7.542 193 HG11 VAL 29 HG11 VAL 29 5.525 11.618 7.731 194 HG12 VAL 29 HG12 VAL 29 6.398 10.824 9.064 195 HG13 VAL 29 HG13 VAL 29 6.881 10.521 7.377 196 HG21 VAL 29 HG21 VAL 29 5.169 8.258 9.713 197 HG22 VAL 29 HG22 VAL 29 4.753 9.953 10.064 198 HG23 VAL 29 HG23 VAL 29 3.538 8.869 9.344 199 H ALA 30 H ALA 30 4.893 8.528 5.085 200 HA ALA 30 HA ALA 30 5.942 10.695 3.640 201 HB1 ALA 30 HB1 ALA 30 6.984 8.927 2.728 202 HB2 ALA 30 HB2 ALA 30 5.835 7.812 3.505 203 HB3 ALA 30 HB3 ALA 30 5.468 8.493 1.902 204 H LEU 31 H LEU 31 2.756 9.138 3.781 205 HA LEU 31 HA LEU 31 1.802 10.058 1.310 206 HB2 LEU 31 HB2 LEU 31 0.910 8.445 3.370 207 HB3 LEU 31 HB3 LEU 31 -0.182 9.814 3.439 208 HG LEU 31 HG LEU 31 -0.045 9.179 0.716 209 HD11 LEU 31 HD11 LEU 31 -0.423 6.613 2.274 210 HD12 LEU 31 HD12 LEU 31 -0.435 6.837 0.508 211 HD13 LEU 31 HD13 LEU 31 1.078 7.048 1.421 212 HD21 LEU 31 HD21 LEU 31 -2.002 9.973 1.995 213 HD22 LEU 31 HD22 LEU 31 -2.372 8.562 0.974 214 HD23 LEU 31 HD23 LEU 31 -2.156 8.359 2.729 215 H SER 32 H SER 32 1.104 11.324 4.650 216 HA SER 32 HA SER 32 -0.069 13.639 3.713 217 HB2 SER 32 HB2 SER 32 0.327 12.440 6.182 218 HB3 SER 32 HB3 SER 32 1.336 13.866 6.317 219 HG SER 32 HG SER 32 -0.402 15.172 6.266 220 H ALA 33 H ALA 33 3.174 13.319 5.351 221 HA ALA 33 HA ALA 33 4.043 15.862 4.586 222 HB1 ALA 33 HB1 ALA 33 4.916 14.371 6.448 223 HB2 ALA 33 HB2 ALA 33 5.762 13.429 5.197 224 HB3 ALA 33 HB3 ALA 33 6.169 15.143 5.448 225 H MET 34 H MET 34 6.631 15.377 3.455 226 HA MET 34 HA MET 34 7.674 15.053 1.567 227 HB2 MET 34 HB2 MET 34 5.798 12.882 1.630 228 HB3 MET 34 HB3 MET 34 5.714 13.528 0.003 229 HG2 MET 34 HG2 MET 34 8.293 13.423 -0.044 230 HG3 MET 34 HG3 MET 34 8.202 12.518 1.454 231 HE1 MET 34 HE1 MET 34 8.341 12.716 -1.971 232 HE2 MET 34 HE2 MET 34 8.245 11.040 -2.563 233 HE3 MET 34 HE3 MET 34 6.792 12.068 -2.560 234 H GLY 35 H GLY 35 5.556 17.161 2.043 235 HA2 GLY 35 HA2 GLY 35 5.745 18.683 -0.168 236 HA3 GLY 35 HA3 GLY 35 4.386 17.648 -0.559 237 H PHE 36 H PHE 36 3.499 17.327 2.279 238 HA PHE 36 HA PHE 36 2.917 20.006 3.153 239 HB2 PHE 36 HB2 PHE 36 1.071 18.201 1.615 240 HB3 PHE 36 HB3 PHE 36 0.364 18.857 3.078 241 HD1 PHE 36 HD2 PHE 36 1.543 21.558 3.163 242 HD2 PHE 36 HD1 PHE 36 0.031 19.336 -0.122 243 HE1 PHE 36 HE2 PHE 36 1.026 23.696 1.954 244 HE2 PHE 36 HE1 PHE 36 -0.485 21.475 -1.331 245 HZ PHE 36 HZ PHE 36 0.019 23.629 -0.278 246 H THR 37 H THR 37 3.832 19.504 5.164 247 HA THR 37 HA THR 37 3.374 17.085 6.517 248 HB THR 37 HB THR 37 4.399 18.352 8.413 249 HG1 THR 37 HG1 THR 37 3.154 20.337 7.914 250 HG21 THR 37 HG21 THR 37 6.198 19.668 6.802 251 HG22 THR 37 HG22 THR 37 6.274 17.918 7.120 252 HG23 THR 37 HG23 THR 37 5.502 18.520 5.633 253 H SER 38 H SER 38 2.525 17.544 9.045 254 HA SER 38 HA SER 38 -0.217 18.429 8.585 255 HB2 SER 38 HB2 SER 38 -0.402 16.726 10.746 256 HB3 SER 38 HB3 SER 38 -0.736 16.274 9.087 257 HG SER 38 HG SER 38 1.870 16.064 10.337 258 H VAL 39 H VAL 39 1.165 17.368 11.706 259 HA VAL 39 HA VAL 39 1.270 18.413 13.662 260 HB VAL 39 HB VAL 39 2.782 20.263 13.761 261 HG11 VAL 39 HG11 VAL 39 3.413 18.230 11.612 262 HG12 VAL 39 HG12 VAL 39 4.607 19.433 12.157 263 HG13 VAL 39 HG13 VAL 39 3.937 18.256 13.313 264 HG21 VAL 39 HG21 VAL 39 1.583 21.513 11.851 265 HG22 VAL 39 HG22 VAL 39 3.347 21.700 11.992 266 HG23 VAL 39 HG23 VAL 39 2.664 20.610 10.762 267 H GLY 40 H GLY 40 1.231 21.367 14.121 268 HA2 GLY 40 HA2 GLY 40 -1.290 21.834 14.877 269 HA3 GLY 40 HA3 GLY 40 -0.230 23.097 14.283 270 H ILE 41 H ILE 41 0.014 22.610 11.570 271 HA ILE 41 HA ILE 41 -2.203 23.746 10.494 272 HB ILE 41 HB ILE 41 -0.214 21.879 9.200 273 HG12 ILE 41 HG12 ILE 41 -0.028 24.792 8.776 274 HG13 ILE 41 HG13 ILE 41 0.267 24.286 10.428 275 HG21 ILE 41 HG21 ILE 41 -0.985 23.561 7.223 276 HG22 ILE 41 HG22 ILE 41 -1.671 21.940 7.485 277 HG23 ILE 41 HG23 ILE 41 -2.518 23.377 8.109 278 HD11 ILE 41 HD11 ILE 41 1.994 22.702 9.698 279 HD12 ILE 41 HD12 ILE 41 1.630 23.050 7.991 280 HD13 ILE 41 HD13 ILE 41 2.349 24.310 9.023 281 H ALA 42 H ALA 42 -1.421 20.201 10.576 282 HA ALA 42 HA ALA 42 -3.768 19.370 9.345 283 HB1 ALA 42 HB1 ALA 42 -1.760 18.117 11.225 284 HB2 ALA 42 HB2 ALA 42 -3.205 17.213 10.711 285 HB3 ALA 42 HB3 ALA 42 -2.038 17.792 9.497 286 H ALA 43 H ALA 43 -3.012 20.252 12.733 287 HA ALA 43 HA ALA 43 -5.381 19.217 13.842 288 HB1 ALA 43 HB1 ALA 43 -4.087 19.702 15.619 289 HB2 ALA 43 HB2 ALA 43 -3.053 20.776 14.646 290 HB3 ALA 43 HB3 ALA 43 -4.539 21.409 15.394 291 H SER 44 H SER 44 -4.568 22.160 12.041 292 HA SER 44 HA SER 44 -6.859 23.573 12.889 293 HB2 SER 44 HB2 SER 44 -4.503 24.154 11.464 294 HB3 SER 44 HB3 SER 44 -5.773 24.379 10.278 295 HG SER 44 HG SER 44 -6.157 25.492 12.882 296 H SER 45 H SER 45 -5.917 22.212 9.638 297 HA SER 45 HA SER 45 -8.255 22.520 8.380 298 HB2 SER 45 HB2 SER 45 -5.874 21.123 7.920 299 HB3 SER 45 HB3 SER 45 -7.089 19.863 7.841 300 HG SER 45 HG SER 45 -7.887 20.684 6.010 301 H ILE 46 H ILE 46 -7.321 19.849 10.627 302 HA ILE 46 HA ILE 46 -9.737 18.415 10.260 303 HB ILE 46 HB ILE 46 -7.528 18.321 12.305 304 HG12 ILE 46 HG12 ILE 46 -8.265 16.236 10.251 305 HG13 ILE 46 HG13 ILE 46 -7.226 17.588 9.846 306 HG21 ILE 46 HG21 ILE 46 -8.800 17.142 13.683 307 HG22 ILE 46 HG22 ILE 46 -10.188 17.294 12.580 308 HG23 ILE 46 HG23 ILE 46 -9.052 15.936 12.398 309 HD11 ILE 46 HD11 ILE 46 -6.448 16.301 12.385 310 HD12 ILE 46 HD12 ILE 46 -6.392 15.190 10.996 311 HD13 ILE 46 HD13 ILE 46 -5.453 16.702 10.965 312 H ALA 47 H ALA 47 -8.494 20.630 12.852 313 HA ALA 47 HA ALA 47 -10.520 20.578 14.603 314 HB1 ALA 47 HB1 ALA 47 -8.725 21.991 15.110 315 HB2 ALA 47 HB2 ALA 47 -8.795 22.814 13.533 316 HB3 ALA 47 HB3 ALA 47 -10.032 23.150 14.768 317 H ALA 48 H ALA 48 -10.438 22.786 11.709 318 HA ALA 48 HA ALA 48 -13.008 23.751 12.009 319 HB1 ALA 48 HB1 ALA 48 -11.216 24.646 10.510 320 HB2 ALA 48 HB2 ALA 48 -11.474 23.259 9.425 321 HB3 ALA 48 HB3 ALA 48 -12.779 24.443 9.682 322 H LYS 49 H LYS 49 -11.831 20.992 9.952 323 HA LYS 49 HA LYS 49 -12.861 19.196 9.191 324 HB2 LYS 49 HB2 LYS 49 -13.442 19.022 11.682 325 HB3 LYS 49 HB3 LYS 49 -15.037 19.602 11.249 326 HG2 LYS 49 HG2 LYS 49 -15.495 17.699 9.877 327 HG3 LYS 49 HG3 LYS 49 -13.802 17.261 9.759 328 HD2 LYS 49 HD2 LYS 49 -13.996 17.025 12.416 329 HD3 LYS 49 HD3 LYS 49 -15.707 16.862 12.073 330 HE2 LYS 49 HE2 LYS 49 -14.627 15.161 10.176 331 HE3 LYS 49 HE3 LYS 49 -13.471 14.983 11.481 332 HZ1 LYS 49 HZ1 LYS 49 -16.408 14.626 11.757 333 HZ2 LYS 49 HZ2 LYS 49 -15.310 13.424 11.739 334 HZ3 LYS 49 HZ3 LYS 49 -15.300 14.517 12.956 335 H MET 50 H MET 50 -13.123 20.760 7.308 336 HA MET 50 HA MET 50 -15.203 22.268 6.727 337 HB2 MET 50 HB2 MET 50 -14.861 21.567 4.336 338 HB3 MET 50 HB3 MET 50 -13.329 21.764 5.165 339 HG2 MET 50 HG2 MET 50 -12.816 19.527 5.027 340 HG3 MET 50 HG3 MET 50 -14.453 19.023 5.399 341 HE1 MET 50 HE1 MET 50 -12.142 18.151 3.310 342 HE2 MET 50 HE2 MET 50 -12.603 18.331 1.600 343 HE3 MET 50 HE3 MET 50 -11.872 19.699 2.473 344 H MET 51 H MET 51 -17.280 22.002 5.580 345 HA MET 51 HA MET 51 -18.928 20.208 6.784 346 HB2 MET 51 HB2 MET 51 -19.056 22.239 4.750 347 HB3 MET 51 HB3 MET 51 -19.862 20.835 4.079 348 HG2 MET 51 HG2 MET 51 -20.944 20.822 6.598 349 HG3 MET 51 HG3 MET 51 -20.648 22.539 6.415 350 HE1 MET 51 HE1 MET 51 -22.993 23.757 3.785 351 HE2 MET 51 HE2 MET 51 -22.541 24.013 5.487 352 HE3 MET 51 HE3 MET 51 -21.276 23.852 4.245 353 H SER 52 H SER 52 -20.150 18.329 5.918 354 HA SER 52 HA SER 52 -18.454 16.405 4.934 355 HB2 SER 52 HB2 SER 52 -21.053 16.512 5.966 356 HB3 SER 52 HB3 SER 52 -21.303 15.918 4.336 357 HG SER 52 HG SER 52 -20.402 14.036 4.853 358 H THR 53 H THR 53 -17.941 15.667 2.862 359 HA THR 53 HA THR 53 -17.567 15.988 0.665 360 HB THR 53 HB THR 53 -19.431 14.383 0.706 361 HG1 THR 53 HG1 THR 53 -20.002 16.584 -1.145 362 HG21 THR 53 HG21 THR 53 -21.779 15.238 0.366 363 HG22 THR 53 HG22 THR 53 -21.134 15.673 1.967 364 HG23 THR 53 HG23 THR 53 -21.192 16.891 0.670 365 H ALA 54 H ALA 54 -17.036 18.359 1.609 366 HA ALA 54 HA ALA 54 -18.779 20.409 0.741 367 HB1 ALA 54 HB1 ALA 54 -16.967 20.482 2.551 368 HB2 ALA 54 HB2 ALA 54 -15.789 20.617 1.223 369 HB3 ALA 54 HB3 ALA 54 -17.032 21.873 1.442 370 H ALA 55 H ALA 55 -18.638 21.775 -1.104 371 HA ALA 55 HA ALA 55 -18.231 22.303 -3.215 372 HB1 ALA 55 HB1 ALA 55 -15.842 22.329 -2.428 373 HB2 ALA 55 HB2 ALA 55 -15.693 20.642 -2.974 374 HB3 ALA 55 HB3 ALA 55 -16.026 21.932 -4.154 375 H ILE 56 H ILE 56 -18.065 21.306 -5.496 376 HA ILE 56 HA ILE 56 -18.958 18.512 -5.396 377 HB ILE 56 HB ILE 56 -20.948 19.699 -5.663 378 HG12 ILE 56 HG12 ILE 56 -20.439 19.329 -8.572 379 HG13 ILE 56 HG13 ILE 56 -20.135 17.943 -7.543 380 HG21 ILE 56 HG21 ILE 56 -19.343 21.549 -7.400 381 HG22 ILE 56 HG22 ILE 56 -21.109 21.444 -7.591 382 HG23 ILE 56 HG23 ILE 56 -20.410 21.916 -6.024 383 HD11 ILE 56 HD11 ILE 56 -22.688 19.107 -8.361 384 HD12 ILE 56 HD12 ILE 56 -22.363 17.537 -7.589 385 HD13 ILE 56 HD13 ILE 56 -22.577 18.993 -6.588 386 H ALA 57 H ALA 57 -16.304 19.012 -5.705 387 HA ALA 57 HA ALA 57 -15.951 18.393 -8.535 388 HB1 ALA 57 HB1 ALA 57 -14.174 20.366 -7.056 389 HB2 ALA 57 HB2 ALA 57 -14.150 19.960 -8.788 390 HB3 ALA 57 HB3 ALA 57 -15.523 20.864 -8.105 391 H ASN 58 H ASN 58 -14.038 18.932 -5.484 392 HA ASN 58 HA ASN 58 -12.568 16.545 -6.100 393 HB2 ASN 58 HB2 ASN 58 -11.672 18.824 -5.074 394 HB3 ASN 58 HB3 ASN 58 -12.272 18.189 -3.555 395 HD21 ASN 58 HD21 ASN 58 -9.588 18.566 -5.233 396 HD22 ASN 58 HD22 ASN 58 -8.661 17.171 -4.793 397 H GLY 59 H GLY 59 -12.838 14.571 -4.967 398 HA2 GLY 59 HA2 GLY 59 -15.199 14.267 -3.368 399 HA3 GLY 59 HA3 GLY 59 -14.034 13.034 -3.809 400 H GLY 60 H GLY 60 -15.063 13.015 -1.235 401 HA2 GLY 60 HA2 GLY 60 -12.743 13.928 0.356 402 HA3 GLY 60 HA3 GLY 60 -14.393 14.125 0.913 403 H GLY 61 H GLY 61 -15.734 11.849 0.491 404 HA2 GLY 61 HA2 GLY 61 -14.587 10.026 2.346 405 HA3 GLY 61 HA3 GLY 61 -16.074 9.831 1.438 406 H VAL 62 H VAL 62 -13.882 7.857 2.006 407 HA VAL 62 HA VAL 62 -12.642 6.332 0.981 408 HB VAL 62 HB VAL 62 -14.992 5.957 0.120 409 HG11 VAL 62 HG11 VAL 62 -15.025 6.242 -2.493 410 HG12 VAL 62 HG12 VAL 62 -15.465 7.603 -1.434 411 HG13 VAL 62 HG13 VAL 62 -13.844 7.533 -2.166 412 HG21 VAL 62 HG21 VAL 62 -12.763 4.533 -0.245 413 HG22 VAL 62 HG22 VAL 62 -14.319 4.061 -0.969 414 HG23 VAL 62 HG23 VAL 62 -13.104 4.918 -1.949 415 H ALA 63 H ALA 63 -11.457 5.802 -1.313 416 HA ALA 63 HA ALA 63 -9.446 7.580 -1.594 417 HB1 ALA 63 HB1 ALA 63 -10.174 5.179 -2.720 418 HB2 ALA 63 HB2 ALA 63 -10.254 6.272 -4.123 419 HB3 ALA 63 HB3 ALA 63 -8.744 6.128 -3.192 420 H ALA 64 H ALA 64 -9.149 9.586 -2.455 421 HA ALA 64 HA ALA 64 -10.503 10.520 -4.711 422 HB1 ALA 64 HB1 ALA 64 -12.285 11.722 -3.924 423 HB2 ALA 64 HB2 ALA 64 -12.249 10.489 -2.640 424 HB3 ALA 64 HB3 ALA 64 -11.495 12.079 -2.369 425 H GLY 65 H GLY 65 -9.918 12.836 -5.154 426 HA2 GLY 65 HA2 GLY 65 -8.591 14.677 -4.917 427 HA3 GLY 65 HA3 GLY 65 -7.980 14.062 -3.394 428 H SER 66 H SER 66 -6.094 15.170 -4.970 429 HA SER 66 HA SER 66 -4.999 13.727 -6.978 430 HB2 SER 66 HB2 SER 66 -3.934 15.620 -4.910 431 HB3 SER 66 HB3 SER 66 -2.747 14.703 -5.817 432 HG SER 66 HG SER 66 -3.159 16.639 -6.943 433 H LEU 67 H LEU 67 -5.044 13.056 -3.505 434 HA LEU 67 HA LEU 67 -2.856 11.424 -3.227 435 HB2 LEU 67 HB2 LEU 67 -5.559 11.520 -1.933 436 HB3 LEU 67 HB3 LEU 67 -4.426 10.251 -1.512 437 HG LEU 67 HG LEU 67 -3.406 13.051 -1.425 438 HD11 LEU 67 HD11 LEU 67 -5.816 12.864 -0.380 439 HD12 LEU 67 HD12 LEU 67 -4.936 12.096 0.963 440 HD13 LEU 67 HD13 LEU 67 -4.516 13.749 0.455 441 HD21 LEU 67 HD21 LEU 67 -3.057 10.710 0.466 442 HD22 LEU 67 HD22 LEU 67 -1.993 11.076 -0.913 443 HD23 LEU 67 HD23 LEU 67 -2.124 12.226 0.439 444 H VAL 68 H VAL 68 -6.070 10.743 -4.670 445 HA VAL 68 HA VAL 68 -5.964 8.023 -4.832 446 HB VAL 68 HB VAL 68 -7.493 8.221 -6.653 447 HG11 VAL 68 HG11 VAL 68 -9.040 8.987 -5.242 448 HG12 VAL 68 HG12 VAL 68 -7.752 9.675 -4.226 449 HG13 VAL 68 HG13 VAL 68 -8.495 10.660 -5.510 450 HG21 VAL 68 HG21 VAL 68 -6.691 9.616 -8.279 451 HG22 VAL 68 HG22 VAL 68 -7.846 10.727 -7.505 452 HG23 VAL 68 HG23 VAL 68 -6.112 10.830 -7.113 453 H ALA 69 H ALA 69 -4.232 10.479 -6.786 454 HA ALA 69 HA ALA 69 -3.332 8.820 -8.811 455 HB1 ALA 69 HB1 ALA 69 -3.142 11.449 -8.238 456 HB2 ALA 69 HB2 ALA 69 -1.511 10.935 -7.745 457 HB3 ALA 69 HB3 ALA 69 -2.071 10.641 -9.408 458 H ILE 70 H ILE 70 -1.950 9.529 -5.544 459 HA ILE 70 HA ILE 70 0.281 7.808 -5.986 460 HB ILE 70 HB ILE 70 0.872 8.316 -3.737 461 HG12 ILE 70 HG12 ILE 70 -1.580 9.893 -3.138 462 HG13 ILE 70 HG13 ILE 70 -1.741 8.148 -3.089 463 HG21 ILE 70 HG21 ILE 70 0.546 10.203 -5.725 464 HG22 ILE 70 HG22 ILE 70 -0.201 10.976 -4.307 465 HG23 ILE 70 HG23 ILE 70 1.483 10.405 -4.226 466 HD11 ILE 70 HD11 ILE 70 0.552 8.316 -1.701 467 HD12 ILE 70 HD12 ILE 70 -0.059 9.954 -1.369 468 HD13 ILE 70 HD13 ILE 70 -1.029 8.533 -0.912 469 H LEU 71 H LEU 71 -3.048 7.464 -4.894 470 HA LEU 71 HA LEU 71 -2.773 5.163 -3.357 471 HB2 LEU 71 HB2 LEU 71 -4.763 6.777 -3.747 472 HB3 LEU 71 HB3 LEU 71 -5.151 5.732 -5.099 473 HG LEU 71 HG LEU 71 -4.691 4.128 -2.743 474 HD11 LEU 71 HD11 LEU 71 -5.275 6.032 -1.407 475 HD12 LEU 71 HD12 LEU 71 -6.687 6.385 -2.433 476 HD13 LEU 71 HD13 LEU 71 -6.662 4.915 -1.429 477 HD21 LEU 71 HD21 LEU 71 -5.978 3.032 -4.246 478 HD22 LEU 71 HD22 LEU 71 -7.294 3.776 -3.306 479 HD23 LEU 71 HD23 LEU 71 -6.762 4.518 -4.834 480 H GLN 72 H GLN 72 -3.523 5.539 -6.891 481 HA GLN 72 HA GLN 72 -3.410 2.764 -7.310 482 HB2 GLN 72 HB2 GLN 72 -4.672 4.430 -8.731 483 HB3 GLN 72 HB3 GLN 72 -3.141 5.011 -9.354 484 HG2 GLN 72 HG2 GLN 72 -3.489 2.053 -9.494 485 HG3 GLN 72 HG3 GLN 72 -4.614 2.965 -10.481 486 HE21 GLN 72 HE21 GLN 72 -2.915 1.377 -11.748 487 HE22 GLN 72 HE22 GLN 72 -1.665 2.251 -12.567 488 H SER 73 H SER 73 -1.131 5.505 -7.979 489 HA SER 73 HA SER 73 0.815 4.062 -9.219 490 HB2 SER 73 HB2 SER 73 0.636 6.626 -7.747 491 HB3 SER 73 HB3 SER 73 2.245 5.933 -7.737 492 HG SER 73 HG SER 73 2.298 7.006 -9.635 493 H VAL 74 H VAL 74 1.010 5.150 -5.747 494 HA VAL 74 HA VAL 74 3.035 3.372 -5.072 495 HB VAL 74 HB VAL 74 1.904 5.494 -3.924 496 HG11 VAL 74 HG11 VAL 74 -0.127 3.935 -3.397 497 HG12 VAL 74 HG12 VAL 74 0.904 3.341 -2.073 498 HG13 VAL 74 HG13 VAL 74 0.462 5.063 -2.153 499 HG21 VAL 74 HG21 VAL 74 3.866 3.541 -3.208 500 HG22 VAL 74 HG22 VAL 74 3.761 5.249 -2.717 501 HG23 VAL 74 HG23 VAL 74 2.964 3.991 -1.741 502 H GLY 75 H GLY 75 -0.486 2.988 -5.324 503 HA2 GLY 75 HA2 GLY 75 -0.874 0.736 -3.749 504 HA3 GLY 75 HA3 GLY 75 -1.802 1.174 -5.169 505 H ALA 76 H ALA 76 -0.715 0.660 -7.373 506 HA ALA 76 HA ALA 76 -0.091 -2.091 -7.386 507 HB1 ALA 76 HB1 ALA 76 -0.108 -1.852 -9.740 508 HB2 ALA 76 HB2 ALA 76 -1.256 -0.618 -9.168 509 HB3 ALA 76 HB3 ALA 76 0.388 -0.145 -9.659 510 H ALA 77 H ALA 77 1.883 0.812 -8.356 511 HA ALA 77 HA ALA 77 4.248 -0.390 -8.816 512 HB1 ALA 77 HB1 ALA 77 4.040 2.163 -7.193 513 HB2 ALA 77 HB2 ALA 77 5.231 1.735 -8.445 514 HB3 ALA 77 HB3 ALA 77 3.549 2.094 -8.902 515 H GLY 78 H GLY 78 3.200 0.872 -5.565 516 HA2 GLY 78 HA2 GLY 78 5.314 -0.029 -4.069 517 HA3 GLY 78 HA3 GLY 78 3.669 0.141 -3.489 518 H LEU 79 H LEU 79 2.111 -1.738 -4.125 519 HA LEU 79 HA LEU 79 2.849 -4.032 -2.954 520 HB2 LEU 79 HB2 LEU 79 0.623 -3.117 -4.157 521 HB3 LEU 79 HB3 LEU 79 1.103 -4.327 -5.330 522 HG LEU 79 HG LEU 79 -0.492 -5.245 -3.750 523 HD11 LEU 79 HD11 LEU 79 0.551 -7.280 -3.368 524 HD12 LEU 79 HD12 LEU 79 1.532 -6.575 -4.676 525 HD13 LEU 79 HD13 LEU 79 2.121 -6.528 -2.997 526 HD21 LEU 79 HD21 LEU 79 1.109 -3.818 -1.812 527 HD22 LEU 79 HD22 LEU 79 -0.520 -4.519 -1.653 528 HD23 LEU 79 HD23 LEU 79 0.916 -5.524 -1.342 529 H SER 80 H SER 80 3.670 -2.953 -6.241 530 HA SER 80 HA SER 80 4.471 -5.429 -7.204 531 HB2 SER 80 HB2 SER 80 4.155 -3.006 -8.325 532 HB3 SER 80 HB3 SER 80 5.887 -2.917 -8.075 533 HG SER 80 HG SER 80 5.855 -5.177 -9.150 534 H VAL 81 H VAL 81 6.658 -2.650 -6.330 535 HA VAL 81 HA VAL 81 8.974 -4.081 -6.178 536 HB VAL 81 HB VAL 81 8.059 -1.677 -4.589 537 HG11 VAL 81 HG11 VAL 81 10.379 -3.233 -4.184 538 HG12 VAL 81 HG12 VAL 81 10.909 -1.778 -5.062 539 HG13 VAL 81 HG13 VAL 81 10.021 -1.618 -3.527 540 HG21 VAL 81 HG21 VAL 81 9.680 -1.883 -7.150 541 HG22 VAL 81 HG22 VAL 81 7.974 -1.389 -7.031 542 HG23 VAL 81 HG23 VAL 81 9.245 -0.382 -6.298 543 H THR 82 H THR 82 6.250 -3.988 -3.923 544 HA THR 82 HA THR 82 7.615 -4.966 -1.660 545 HB THR 82 HB THR 82 4.684 -5.190 -2.529 546 HG1 THR 82 HG1 THR 82 4.617 -3.117 -1.534 547 HG21 THR 82 HG21 THR 82 6.120 -5.438 0.155 548 HG22 THR 82 HG22 THR 82 4.402 -4.989 0.042 549 HG23 THR 82 HG23 THR 82 4.950 -6.570 -0.563 550 H SER 83 H SER 83 5.106 -6.900 -3.361 551 HA SER 83 HA SER 83 5.959 -9.285 -2.516 552 HB2 SER 83 HB2 SER 83 4.921 -10.208 -4.667 553 HB3 SER 83 HB3 SER 83 3.898 -9.152 -3.713 554 HG SER 83 HG SER 83 4.448 -8.870 -6.273 555 H LYS 84 H LYS 84 7.161 -7.427 -5.366 556 HA LYS 84 HA LYS 84 8.730 -9.324 -6.548 557 HB2 LYS 84 HB2 LYS 84 8.193 -6.845 -7.167 558 HB3 LYS 84 HB3 LYS 84 9.654 -6.471 -6.275 559 HG2 LYS 84 HG2 LYS 84 11.004 -7.891 -7.718 560 HG3 LYS 84 HG3 LYS 84 9.582 -8.579 -8.478 561 HD2 LYS 84 HD2 LYS 84 9.096 -6.590 -9.682 562 HD3 LYS 84 HD3 LYS 84 10.035 -5.584 -8.597 563 HE2 LYS 84 HE2 LYS 84 11.549 -5.713 -10.349 564 HE3 LYS 84 HE3 LYS 84 12.057 -7.135 -9.459 565 HZ1 LYS 84 HZ1 LYS 84 10.617 -6.995 -11.981 566 HZ2 LYS 84 HZ2 LYS 84 11.684 -8.113 -11.469 567 HZ3 LYS 84 HZ3 LYS 84 10.140 -8.152 -10.927 568 H VAL 85 H VAL 85 9.703 -7.018 -3.913 569 HA VAL 85 HA VAL 85 12.254 -8.106 -3.594 570 HB VAL 85 HB VAL 85 10.878 -5.950 -2.671 571 HG11 VAL 85 HG11 VAL 85 11.317 -7.739 -0.256 572 HG12 VAL 85 HG12 VAL 85 10.756 -6.050 -0.243 573 HG13 VAL 85 HG13 VAL 85 9.733 -7.322 -0.953 574 HG21 VAL 85 HG21 VAL 85 13.246 -6.639 -1.035 575 HG22 VAL 85 HG22 VAL 85 13.479 -6.757 -2.796 576 HG23 VAL 85 HG23 VAL 85 12.933 -5.225 -2.071 577 H ILE 86 H ILE 86 9.047 -9.127 -2.500 578 HA ILE 86 HA ILE 86 10.033 -10.844 -0.451 579 HB ILE 86 HB ILE 86 7.377 -10.495 -1.824 580 HG12 ILE 86 HG12 ILE 86 8.343 -9.881 0.985 581 HG13 ILE 86 HG13 ILE 86 8.085 -8.710 -0.293 582 HG21 ILE 86 HG21 ILE 86 7.301 -12.775 -1.326 583 HG22 ILE 86 HG22 ILE 86 8.222 -12.577 0.184 584 HG23 ILE 86 HG23 ILE 86 6.541 -12.001 0.085 585 HD11 ILE 86 HD11 ILE 86 5.674 -10.182 -0.197 586 HD12 ILE 86 HD12 ILE 86 6.134 -9.936 1.504 587 HD13 ILE 86 HD13 ILE 86 5.942 -8.535 0.423 588 H GLY 87 H GLY 87 8.195 -11.735 -3.450 589 HA2 GLY 87 HA2 GLY 87 9.905 -13.190 -4.866 590 HA3 GLY 87 HA3 GLY 87 9.629 -14.270 -3.514 591 H GLY 88 H GLY 88 7.725 -12.149 -5.779 592 HA2 GLY 88 HA2 GLY 88 5.638 -12.420 -6.617 593 HA3 GLY 88 HA3 GLY 88 6.271 -13.983 -7.094 594 H PHE 89 H PHE 89 5.615 -15.881 -6.020 595 HA PHE 89 HA PHE 89 4.401 -15.894 -3.509 596 HB2 PHE 89 HB2 PHE 89 2.041 -16.282 -4.278 597 HB3 PHE 89 HB3 PHE 89 2.590 -14.697 -4.783 598 HD1 PHE 89 HD2 PHE 89 3.741 -14.683 -7.196 599 HD2 PHE 89 HD1 PHE 89 0.961 -17.588 -5.839 600 HE1 PHE 89 HE2 PHE 89 3.162 -15.240 -9.574 601 HE2 PHE 89 HE1 PHE 89 0.382 -18.145 -8.217 602 HZ PHE 89 HZ PHE 89 1.489 -16.964 -10.056 603 H ALA 90 H ALA 90 5.606 -17.762 -3.131 604 HA ALA 90 HA ALA 90 4.506 -20.174 -4.124 605 HB1 ALA 90 HB1 ALA 90 6.634 -20.960 -5.233 606 HB2 ALA 90 HB2 ALA 90 5.771 -19.683 -6.124 607 HB3 ALA 90 HB3 ALA 90 7.220 -19.280 -5.171 608 H GLY 91 H GLY 91 7.939 -19.402 -3.302 609 HA2 GLY 91 HA2 GLY 91 7.495 -20.296 -0.553 610 HA3 GLY 91 HA3 GLY 91 8.559 -21.264 -1.554 611 H THR 92 H THR 92 9.870 -20.336 0.528 612 HA THR 92 HA THR 92 11.332 -18.836 1.371 613 HB THR 92 HB THR 92 13.258 -18.583 -0.220 614 HG1 THR 92 HG1 THR 92 12.668 -19.504 -2.433 615 HG21 THR 92 HG21 THR 92 13.600 -20.928 -0.785 616 HG22 THR 92 HG22 THR 92 12.734 -20.897 0.770 617 HG23 THR 92 HG23 THR 92 11.850 -21.250 -0.734 618 H ALA 93 H ALA 93 9.195 -17.369 1.342 619 HA ALA 93 HA ALA 93 10.195 -14.789 0.591 620 HB1 ALA 93 HB1 ALA 93 7.580 -14.776 -0.501 621 HB2 ALA 93 HB2 ALA 93 9.122 -14.610 -1.374 622 HB3 ALA 93 HB3 ALA 93 8.387 -16.217 -1.165 623 H LEU 94 H LEU 94 10.152 -14.731 2.964 624 HA LEU 94 HA LEU 94 7.850 -13.502 3.933 625 HB2 LEU 94 HB2 LEU 94 7.466 -16.217 3.814 626 HB3 LEU 94 HB3 LEU 94 8.042 -16.003 5.455 627 HG LEU 94 HG LEU 94 6.196 -14.033 5.388 628 HD11 LEU 94 HD11 LEU 94 4.153 -15.167 4.272 629 HD12 LEU 94 HD12 LEU 94 5.300 -14.259 3.258 630 HD13 LEU 94 HD13 LEU 94 5.367 -16.037 3.303 631 HD21 LEU 94 HD21 LEU 94 5.043 -16.714 5.901 632 HD22 LEU 94 HD22 LEU 94 6.546 -16.322 6.770 633 HD23 LEU 94 HD23 LEU 94 5.120 -15.270 6.939 634 H GLY 95 H GLY 95 10.235 -15.876 5.314 635 HA2 GLY 95 HA2 GLY 95 11.266 -13.652 6.971 636 HA3 GLY 95 HA3 GLY 95 11.187 -15.328 7.476 637 H ALA 96 H ALA 96 13.585 -14.842 7.894 638 HA ALA 96 HA ALA 96 15.710 -15.188 7.386 639 HB1 ALA 96 HB1 ALA 96 14.359 -16.682 5.126 640 HB2 ALA 96 HB2 ALA 96 16.133 -16.600 5.250 641 HB3 ALA 96 HB3 ALA 96 15.181 -17.335 6.563 642 H TRP 97 H TRP 97 17.241 -13.756 6.693 643 HA TRP 97 HA TRP 97 16.546 -11.528 5.231 644 HB2 TRP 97 HB2 TRP 97 18.629 -10.833 5.662 645 HB3 TRP 97 HB3 TRP 97 18.638 -12.209 6.747 646 HD1 TRP 97 HD1 TRP 97 19.808 -14.557 5.575 647 HE1 TRP 97 HE1 TRP 97 21.934 -14.818 4.034 648 HE3 TRP 97 HE3 TRP 97 19.910 -9.723 4.002 649 HZ2 TRP 97 HZ2 TRP 97 23.388 -13.014 2.368 650 HZ3 TRP 97 HZ3 TRP 97 21.716 -9.055 2.419 651 HH2 TRP 97 HH2 TRP 97 23.415 -10.611 1.604 652 H LEU 98 H LEU 98 15.797 -11.523 3.150 653 HA LEU 98 HA LEU 98 16.081 -13.576 1.353 654 HB2 LEU 98 HB2 LEU 98 15.714 -10.630 0.792 655 HB3 LEU 98 HB3 LEU 98 15.402 -11.931 -0.339 656 HG LEU 98 HG LEU 98 13.950 -12.359 2.139 657 HD11 LEU 98 HD11 LEU 98 12.363 -10.473 1.896 658 HD12 LEU 98 HD12 LEU 98 13.991 -9.959 2.400 659 HD13 LEU 98 HD13 LEU 98 13.467 -9.729 0.715 660 HD21 LEU 98 HD21 LEU 98 13.523 -13.436 -0.064 661 HD22 LEU 98 HD22 LEU 98 12.084 -12.677 0.658 662 HD23 LEU 98 HD23 LEU 98 12.943 -11.868 -0.675 663 H GLY 99 H GLY 99 17.505 -14.081 -0.338 664 HA2 GLY 99 HA2 GLY 99 19.724 -12.378 -0.970 665 HA3 GLY 99 HA3 GLY 99 20.188 -13.732 0.041 666 H SER 100 H SER 100 20.871 -13.150 -2.821 667 HA SER 100 HA SER 100 20.472 -15.764 -3.763 668 HB2 SER 100 HB2 SER 100 19.227 -15.166 -5.855 669 HB3 SER 100 HB3 SER 100 18.261 -14.981 -4.404 670 HG SER 100 HG SER 100 19.132 -13.047 -6.234 671 HA PRO 101 HA PRO 101 24.089 -13.566 -5.325 672 HB2 PRO 101 HB2 PRO 101 25.939 -15.476 -4.693 673 HB3 PRO 101 HB3 PRO 101 25.535 -14.143 -3.629 674 HG2 PRO 101 HG2 PRO 101 24.753 -16.986 -3.418 675 HG3 PRO 101 HG3 PRO 101 24.729 -15.746 -2.180 676 HD2 PRO 101 HD2 PRO 101 22.473 -16.776 -3.622 677 HD3 PRO 101 HD3 PRO 101 22.467 -15.456 -2.468 678 HA PRO 102 HA PRO 102 24.310 -15.489 -9.099 679 HB2 PRO 102 HB2 PRO 102 26.637 -14.511 -10.146 680 HB3 PRO 102 HB3 PRO 102 25.134 -13.610 -10.144 681 HG2 PRO 102 HG2 PRO 102 27.517 -13.241 -8.434 682 HG3 PRO 102 HG3 PRO 102 26.205 -12.122 -8.746 683 HD2 PRO 102 HD2 PRO 102 26.591 -13.696 -6.380 684 HD3 PRO 102 HD3 PRO 102 25.221 -12.665 -6.740 685 H SER 103 H SER 103 24.443 -17.622 -9.342 686 HA SER 103 HA SER 103 27.008 -18.727 -8.513 687 HB2 SER 103 HB2 SER 103 24.361 -19.470 -7.852 688 HB3 SER 103 HB3 SER 103 24.890 -20.696 -8.987 689 HG SER 103 HG SER 103 25.513 -21.381 -6.920 690 H SER 104 H SER 104 24.310 -19.268 -10.905 691 HA SER 104 HA SER 104 26.107 -20.649 -12.630 692 HB2 SER 104 HB2 SER 104 23.572 -21.087 -12.295 693 HB3 SER 104 HB3 SER 104 23.304 -19.688 -13.316 694 HG SER 104 HG SER 104 25.081 -21.127 -14.660 Start of MODEL 10 1 H MET 1 H1 MET 1 -0.797 -12.310 -9.073 2 HA MET 1 HA MET 1 -2.830 -13.062 -8.556 3 HB2 MET 1 HB2 MET 1 -1.743 -14.984 -10.681 4 HB3 MET 1 HB3 MET 1 -3.443 -14.937 -10.259 5 HG2 MET 1 HG2 MET 1 -3.250 -12.345 -10.718 6 HG3 MET 1 HG3 MET 1 -1.766 -12.759 -11.554 7 HE1 MET 1 HE1 MET 1 -1.759 -12.856 -13.824 8 HE2 MET 1 HE2 MET 1 -3.140 -13.106 -14.919 9 HE3 MET 1 HE3 MET 1 -3.094 -11.679 -13.856 10 H GLY 2 H GLY 2 -3.922 -14.235 -7.014 11 HA2 GLY 2 HA2 GLY 2 -3.373 -17.007 -6.546 12 HA3 GLY 2 HA3 GLY 2 -2.684 -15.979 -5.305 13 H LYS 3 H LYS 3 -5.434 -17.708 -6.203 14 HA LYS 3 HA LYS 3 -7.491 -17.843 -5.416 15 HB2 LYS 3 HB2 LYS 3 -5.968 -17.356 -3.235 16 HB3 LYS 3 HB3 LYS 3 -7.050 -15.981 -3.141 17 HG2 LYS 3 HG2 LYS 3 -8.825 -17.280 -2.537 18 HG3 LYS 3 HG3 LYS 3 -8.509 -18.448 -3.804 19 HD2 LYS 3 HD2 LYS 3 -6.820 -18.329 -1.271 20 HD3 LYS 3 HD3 LYS 3 -8.293 -19.273 -1.356 21 HE2 LYS 3 HE2 LYS 3 -7.380 -20.557 -3.288 22 HE3 LYS 3 HE3 LYS 3 -5.918 -19.590 -3.255 23 HZ1 LYS 3 HZ1 LYS 3 -5.475 -21.564 -2.024 24 HZ2 LYS 3 HZ2 LYS 3 -5.636 -20.404 -0.892 25 HZ3 LYS 3 HZ3 LYS 3 -6.877 -21.427 -1.191 26 H GLU 4 H GLU 4 -9.580 -16.645 -5.157 27 HA GLU 4 HA GLU 4 -9.781 -14.701 -7.079 28 HB2 GLU 4 HB2 GLU 4 -11.525 -16.083 -5.235 29 HB3 GLU 4 HB3 GLU 4 -11.954 -14.384 -5.230 30 HG2 GLU 4 HG2 GLU 4 -11.436 -15.588 -7.924 31 HG3 GLU 4 HG3 GLU 4 -12.866 -16.167 -7.093 32 H SER 5 H SER 5 -10.608 -12.393 -6.779 33 HA SER 5 HA SER 5 -8.786 -10.875 -5.523 34 HB2 SER 5 HB2 SER 5 -11.491 -10.473 -6.632 35 HB3 SER 5 HB3 SER 5 -11.101 -9.309 -5.382 36 HG SER 5 HG SER 5 -10.275 -9.317 -7.948 37 H GLY 6 H GLY 6 -11.924 -12.098 -4.213 38 HA2 GLY 6 HA2 GLY 6 -12.819 -11.990 -2.138 39 HA3 GLY 6 HA3 GLY 6 -11.219 -12.507 -1.646 40 H TRP 7 H TRP 7 -12.959 -9.474 -2.653 41 HA TRP 7 HA TRP 7 -11.157 -7.741 -1.395 42 HB2 TRP 7 HB2 TRP 7 -12.963 -7.302 -3.187 43 HB3 TRP 7 HB3 TRP 7 -14.070 -7.137 -1.838 44 HD1 TRP 7 HD1 TRP 7 -10.435 -5.714 -2.068 45 HE1 TRP 7 HE1 TRP 7 -10.440 -3.103 -1.692 46 HE3 TRP 7 HE3 TRP 7 -15.488 -5.244 -1.743 47 HZ2 TRP 7 HZ2 TRP 7 -12.511 -1.176 -1.309 48 HZ3 TRP 7 HZ3 TRP 7 -16.419 -2.962 -1.367 49 HH2 TRP 7 HH2 TRP 7 -15.019 -0.971 -1.152 50 H ASP 8 H ASP 8 -14.282 -9.260 -0.367 51 HA ASP 8 HA ASP 8 -14.235 -8.005 2.145 52 HB2 ASP 8 HB2 ASP 8 -16.101 -9.393 0.667 53 HB3 ASP 8 HB3 ASP 8 -15.670 -10.610 1.852 54 H SER 9 H SER 9 -14.037 -9.263 4.267 55 HA SER 9 HA SER 9 -13.029 -11.824 4.359 56 HB2 SER 9 HB2 SER 9 -10.967 -9.650 4.102 57 HB3 SER 9 HB3 SER 9 -10.642 -10.931 5.253 58 HG SER 9 HG SER 9 -10.002 -11.120 2.806 59 H GLY 10 H GLY 10 -13.737 -12.430 6.370 60 HA2 GLY 10 HA2 GLY 10 -14.217 -10.391 8.378 61 HA3 GLY 10 HA3 GLY 10 -14.683 -12.080 8.427 62 H ARG 11 H ARG 11 -12.534 -13.623 8.307 63 HA ARG 11 HA ARG 11 -11.191 -12.979 10.708 64 HB2 ARG 11 HB2 ARG 11 -11.538 -15.318 8.954 65 HB3 ARG 11 HB3 ARG 11 -9.884 -15.195 9.518 66 HG2 ARG 11 HG2 ARG 11 -10.990 -14.774 11.887 67 HG3 ARG 11 HG3 ARG 11 -12.420 -15.478 11.158 68 HD2 ARG 11 HD2 ARG 11 -11.534 -17.593 11.169 69 HD3 ARG 11 HD3 ARG 11 -9.970 -17.045 10.599 70 HE ARG 11 HE ARG 11 -9.240 -17.125 12.806 71 HH11 ARG 11 HH22 ARG 11 -12.730 -16.515 12.837 72 HH12 ARG 11 HH21 ARG 11 -12.840 -16.515 14.566 73 HH21 ARG 11 HH12 ARG 11 -9.396 -17.122 15.050 74 HH22 ARG 11 HH11 ARG 11 -10.923 -16.863 15.829 75 H ALA 12 H ALA 12 -10.206 -13.505 7.245 76 HA ALA 12 HA ALA 12 -7.549 -13.174 7.363 77 HB1 ALA 12 HB1 ALA 12 -7.792 -13.064 5.125 78 HB2 ALA 12 HB2 ALA 12 -9.549 -13.091 5.408 79 HB3 ALA 12 HB3 ALA 12 -8.701 -11.537 5.227 80 H ALA 13 H ALA 13 -10.052 -10.664 7.837 81 HA ALA 13 HA ALA 13 -8.689 -8.366 7.552 82 HB1 ALA 13 HB1 ALA 13 -10.494 -7.513 8.612 83 HB2 ALA 13 HB2 ALA 13 -11.063 -9.196 8.732 84 HB3 ALA 13 HB3 ALA 13 -10.177 -8.457 10.087 85 H VAL 14 H VAL 14 -8.734 -10.340 10.610 86 HA VAL 14 HA VAL 14 -7.017 -8.900 12.104 87 HB VAL 14 HB VAL 14 -8.266 -11.195 12.425 88 HG11 VAL 14 HG11 VAL 14 -6.897 -12.516 10.914 89 HG12 VAL 14 HG12 VAL 14 -5.424 -12.073 11.810 90 HG13 VAL 14 HG13 VAL 14 -6.666 -13.088 12.583 91 HG21 VAL 14 HG21 VAL 14 -5.713 -10.964 13.987 92 HG22 VAL 14 HG22 VAL 14 -6.899 -9.639 14.061 93 HG23 VAL 14 HG23 VAL 14 -7.371 -11.284 14.550 94 H ALA 15 H ALA 15 -6.135 -11.319 9.557 95 HA ALA 15 HA ALA 15 -3.397 -11.195 9.890 96 HB1 ALA 15 HB1 ALA 15 -5.146 -12.542 8.284 97 HB2 ALA 15 HB2 ALA 15 -4.424 -11.416 7.110 98 HB3 ALA 15 HB3 ALA 15 -3.383 -12.523 8.038 99 H ALA 16 H ALA 16 -5.591 -9.176 7.830 100 HA ALA 16 HA ALA 16 -3.594 -7.639 6.662 101 HB1 ALA 16 HB1 ALA 16 -5.524 -5.977 6.400 102 HB2 ALA 16 HB2 ALA 16 -5.803 -7.613 5.757 103 HB3 ALA 16 HB3 ALA 16 -6.516 -7.136 7.316 104 H VAL 17 H VAL 17 -4.992 -7.629 9.909 105 HA VAL 17 HA VAL 17 -4.032 -4.991 10.513 106 HB VAL 17 HB VAL 17 -5.087 -7.187 12.305 107 HG11 VAL 17 HG11 VAL 17 -5.376 -5.558 13.987 108 HG12 VAL 17 HG12 VAL 17 -3.746 -5.260 13.337 109 HG13 VAL 17 HG13 VAL 17 -5.102 -4.213 12.854 110 HG21 VAL 17 HG21 VAL 17 -7.168 -6.727 11.630 111 HG22 VAL 17 HG22 VAL 17 -6.903 -4.974 11.792 112 HG23 VAL 17 HG23 VAL 17 -6.450 -5.807 10.286 113 H VAL 18 H VAL 18 -2.885 -8.338 10.660 114 HA VAL 18 HA VAL 18 -0.743 -7.693 12.466 115 HB VAL 18 HB VAL 18 -2.113 -9.964 11.782 116 HG11 VAL 18 HG11 VAL 18 -0.817 -10.076 9.641 117 HG12 VAL 18 HG12 VAL 18 0.667 -10.270 10.604 118 HG13 VAL 18 HG13 VAL 18 -0.616 -11.501 10.688 119 HG21 VAL 18 HG21 VAL 18 -1.203 -10.292 13.804 120 HG22 VAL 18 HG22 VAL 18 0.215 -10.934 12.940 121 HG23 VAL 18 HG23 VAL 18 0.179 -9.228 13.447 122 H GLY 19 H GLY 19 -1.416 -7.422 9.070 123 HA2 GLY 19 HA2 GLY 19 0.803 -7.904 7.682 124 HA3 GLY 19 HA3 GLY 19 -0.125 -6.431 7.480 125 H GLY 20 H GLY 20 0.355 -4.731 9.414 126 HA2 GLY 20 HA2 GLY 20 2.697 -4.596 10.790 127 HA3 GLY 20 HA3 GLY 20 3.156 -4.123 9.166 128 H VAL 21 H VAL 21 1.326 -3.250 12.064 129 HA VAL 21 HA VAL 21 -0.115 -1.096 11.080 130 HB VAL 21 HB VAL 21 1.132 -1.554 13.798 131 HG11 VAL 21 HG11 VAL 21 -0.245 0.107 14.693 132 HG12 VAL 21 HG12 VAL 21 0.317 0.829 13.166 133 HG13 VAL 21 HG13 VAL 21 -1.316 0.128 13.271 134 HG21 VAL 21 HG21 VAL 21 -1.306 -2.259 14.299 135 HG22 VAL 21 HG22 VAL 21 -1.467 -2.427 12.534 136 HG23 VAL 21 HG23 VAL 21 -0.262 -3.397 13.414 137 H VAL 22 H VAL 22 3.123 -1.087 12.743 138 HA VAL 22 HA VAL 22 3.676 1.568 12.444 139 HB VAL 22 HB VAL 22 6.041 0.883 12.566 140 HG11 VAL 22 HG11 VAL 22 3.934 -0.170 14.396 141 HG12 VAL 22 HG12 VAL 22 5.600 -0.744 14.649 142 HG13 VAL 22 HG13 VAL 22 5.241 0.999 14.700 143 HG21 VAL 22 HG21 VAL 22 4.897 -1.889 12.120 144 HG22 VAL 22 HG22 VAL 22 6.130 -1.040 11.155 145 HG23 VAL 22 HG23 VAL 22 6.514 -1.592 12.803 146 H ALA 23 H ALA 23 4.248 -1.124 10.094 147 HA ALA 23 HA ALA 23 5.568 0.334 8.166 148 HB1 ALA 23 HB1 ALA 23 3.668 -2.031 8.028 149 HB2 ALA 23 HB2 ALA 23 4.554 -1.422 6.610 150 HB3 ALA 23 HB3 ALA 23 5.447 -2.049 8.016 151 H VAL 24 H VAL 24 2.049 0.020 8.860 152 HA VAL 24 HA VAL 24 1.240 1.446 6.558 153 HB VAL 24 HB VAL 24 -0.081 0.757 9.182 154 HG11 VAL 24 HG11 VAL 24 -2.217 1.438 8.159 155 HG12 VAL 24 HG12 VAL 24 -1.101 2.814 8.337 156 HG13 VAL 24 HG13 VAL 24 -1.337 2.059 6.742 157 HG21 VAL 24 HG21 VAL 24 -0.932 -1.094 8.148 158 HG22 VAL 24 HG22 VAL 24 -0.972 -0.321 6.545 159 HG23 VAL 24 HG23 VAL 24 0.567 -0.924 7.205 160 H GLY 25 H GLY 25 2.386 2.332 9.795 161 HA2 GLY 25 HA2 GLY 25 1.381 4.980 9.832 162 HA3 GLY 25 HA3 GLY 25 2.686 4.325 10.800 163 H THR 26 H THR 26 4.618 3.565 8.962 164 HA THR 26 HA THR 26 5.782 6.033 8.295 165 HB THR 26 HB THR 26 6.366 3.119 7.573 166 HG1 THR 26 HG1 THR 26 7.348 5.207 9.384 167 HG21 THR 26 HG21 THR 26 8.763 4.218 7.297 168 HG22 THR 26 HG22 THR 26 7.644 4.238 5.913 169 HG23 THR 26 HG23 THR 26 7.842 5.694 6.919 170 H VAL 27 H VAL 27 4.061 3.568 6.298 171 HA VAL 27 HA VAL 27 4.533 4.740 3.843 172 HB VAL 27 HB VAL 27 2.312 3.056 4.975 173 HG11 VAL 27 HG11 VAL 27 1.280 4.419 3.230 174 HG12 VAL 27 HG12 VAL 27 2.584 3.989 2.097 175 HG13 VAL 27 HG13 VAL 27 1.461 2.736 2.679 176 HG21 VAL 27 HG21 VAL 27 3.614 1.772 2.844 177 HG22 VAL 27 HG22 VAL 27 4.905 2.589 3.757 178 HG23 VAL 27 HG23 VAL 27 3.814 1.450 4.583 179 H LEU 28 H LEU 28 1.692 5.197 6.067 180 HA LEU 28 HA LEU 28 0.454 7.144 4.536 181 HB2 LEU 28 HB2 LEU 28 0.311 6.125 7.293 182 HB3 LEU 28 HB3 LEU 28 -0.243 7.776 7.098 183 HG LEU 28 HG LEU 28 -1.271 5.694 5.205 184 HD11 LEU 28 HD11 LEU 28 -1.917 4.403 6.928 185 HD12 LEU 28 HD12 LEU 28 -1.714 5.706 8.124 186 HD13 LEU 28 HD13 LEU 28 -3.188 5.632 7.129 187 HD21 LEU 28 HD21 LEU 28 -3.309 7.395 6.117 188 HD22 LEU 28 HD22 LEU 28 -1.873 8.428 5.916 189 HD23 LEU 28 HD23 LEU 28 -2.463 7.448 4.552 190 H VAL 29 H VAL 29 2.933 7.423 7.151 191 HA VAL 29 HA VAL 29 2.975 10.182 7.301 192 HB VAL 29 HB VAL 29 5.009 8.018 7.779 193 HG11 VAL 29 HG11 VAL 29 5.409 10.962 8.405 194 HG12 VAL 29 HG12 VAL 29 6.530 9.625 8.755 195 HG13 VAL 29 HG13 VAL 29 6.201 10.093 7.069 196 HG21 VAL 29 HG21 VAL 29 4.000 9.859 9.900 197 HG22 VAL 29 HG22 VAL 29 2.856 8.670 9.233 198 HG23 VAL 29 HG23 VAL 29 4.380 8.121 9.971 199 H ALA 30 H ALA 30 4.326 7.938 4.890 200 HA ALA 30 HA ALA 30 6.058 9.835 3.698 201 HB1 ALA 30 HB1 ALA 30 6.456 8.139 2.111 202 HB2 ALA 30 HB2 ALA 30 6.042 7.236 3.588 203 HB3 ALA 30 HB3 ALA 30 4.827 7.447 2.304 204 H LEU 31 H LEU 31 2.745 8.588 2.896 205 HA LEU 31 HA LEU 31 2.364 10.119 0.630 206 HB2 LEU 31 HB2 LEU 31 0.495 8.940 2.669 207 HB3 LEU 31 HB3 LEU 31 -0.107 9.864 1.307 208 HG LEU 31 HG LEU 31 1.283 8.217 -0.149 209 HD11 LEU 31 HD11 LEU 31 2.596 7.103 1.471 210 HD12 LEU 31 HD12 LEU 31 1.180 6.747 2.489 211 HD13 LEU 31 HD13 LEU 31 1.380 5.923 0.924 212 HD21 LEU 31 HD21 LEU 31 -1.339 8.388 0.472 213 HD22 LEU 31 HD22 LEU 31 -0.657 7.180 -0.643 214 HD23 LEU 31 HD23 LEU 31 -0.987 6.742 1.050 215 H SER 32 H SER 32 1.399 10.854 4.056 216 HA SER 32 HA SER 32 0.406 13.356 3.487 217 HB2 SER 32 HB2 SER 32 1.792 12.799 6.112 218 HB3 SER 32 HB3 SER 32 0.295 13.661 5.820 219 HG SER 32 HG SER 32 -0.306 11.292 4.936 220 H ALA 33 H ALA 33 3.718 12.263 4.452 221 HA ALA 33 HA ALA 33 4.880 14.749 4.764 222 HB1 ALA 33 HB1 ALA 33 7.002 13.491 4.218 223 HB2 ALA 33 HB2 ALA 33 5.986 12.717 5.457 224 HB3 ALA 33 HB3 ALA 33 5.991 12.090 3.791 225 H MET 34 H MET 34 7.013 14.971 2.965 226 HA MET 34 HA MET 34 7.590 15.679 0.985 227 HB2 MET 34 HB2 MET 34 4.923 14.677 -0.138 228 HB3 MET 34 HB3 MET 34 6.415 14.913 -1.026 229 HG2 MET 34 HG2 MET 34 7.501 13.089 0.298 230 HG3 MET 34 HG3 MET 34 6.019 12.860 1.205 231 HE1 MET 34 HE1 MET 34 7.269 10.707 0.234 232 HE2 MET 34 HE2 MET 34 5.669 9.957 0.028 233 HE3 MET 34 HE3 MET 34 6.834 9.953 -1.318 234 H GLY 35 H GLY 35 3.983 16.084 1.270 235 HA2 GLY 35 HA2 GLY 35 4.398 18.981 0.838 236 HA3 GLY 35 HA3 GLY 35 3.120 18.088 0.039 237 H PHE 36 H PHE 36 4.463 18.702 3.359 238 HA PHE 36 HA PHE 36 3.476 19.077 5.293 239 HB2 PHE 36 HB2 PHE 36 1.730 20.173 3.206 240 HB3 PHE 36 HB3 PHE 36 0.728 19.558 4.506 241 HD1 PHE 36 HD2 PHE 36 1.556 20.284 6.937 242 HD2 PHE 36 HD1 PHE 36 2.451 22.358 3.345 243 HE1 PHE 36 HE2 PHE 36 1.976 22.380 8.252 244 HE2 PHE 36 HE1 PHE 36 2.870 24.454 4.659 245 HZ PHE 36 HZ PHE 36 2.628 24.440 7.098 246 H THR 37 H THR 37 2.948 17.544 6.776 247 HA THR 37 HA THR 37 1.610 15.164 5.897 248 HB THR 37 HB THR 37 2.746 16.162 8.557 249 HG1 THR 37 HG1 THR 37 4.082 15.572 6.577 250 HG21 THR 37 HG21 THR 37 2.382 13.246 8.108 251 HG22 THR 37 HG22 THR 37 2.114 14.201 9.586 252 HG23 THR 37 HG23 THR 37 0.853 14.129 8.332 253 H SER 38 H SER 38 0.882 17.198 8.800 254 HA SER 38 HA SER 38 -1.816 17.458 7.901 255 HB2 SER 38 HB2 SER 38 -2.141 16.441 10.537 256 HB3 SER 38 HB3 SER 38 -2.700 15.723 9.040 257 HG SER 38 HG SER 38 -1.280 14.323 10.344 258 H VAL 39 H VAL 39 0.319 17.562 10.851 259 HA VAL 39 HA VAL 39 0.624 19.116 12.396 260 HB VAL 39 HB VAL 39 1.477 20.186 10.240 261 HG11 VAL 39 HG11 VAL 39 -1.248 21.377 10.423 262 HG12 VAL 39 HG12 VAL 39 0.083 22.467 9.969 263 HG13 VAL 39 HG13 VAL 39 -0.246 21.012 8.998 264 HG21 VAL 39 HG21 VAL 39 1.359 21.084 12.890 265 HG22 VAL 39 HG22 VAL 39 2.470 21.641 11.616 266 HG23 VAL 39 HG23 VAL 39 0.943 22.508 11.906 267 H GLY 40 H GLY 40 -0.415 20.983 13.664 268 HA2 GLY 40 HA2 GLY 40 -2.861 20.391 14.588 269 HA3 GLY 40 HA3 GLY 40 -2.226 22.024 14.547 270 H ILE 41 H ILE 41 -2.152 22.498 11.726 271 HA ILE 41 HA ILE 41 -4.642 23.472 11.241 272 HB ILE 41 HB ILE 41 -2.508 22.563 9.311 273 HG12 ILE 41 HG12 ILE 41 -3.164 25.324 10.380 274 HG13 ILE 41 HG13 ILE 41 -1.878 24.300 10.990 275 HG21 ILE 41 HG21 ILE 41 -3.570 23.864 7.602 276 HG22 ILE 41 HG22 ILE 41 -4.761 22.708 8.244 277 HG23 ILE 41 HG23 ILE 41 -4.829 24.419 8.731 278 HD11 ILE 41 HD11 ILE 41 -0.941 24.204 8.615 279 HD12 ILE 41 HD12 ILE 41 -2.138 25.448 8.178 280 HD13 ILE 41 HD13 ILE 41 -0.881 25.808 9.386 281 H ALA 42 H ALA 42 -3.288 20.347 9.968 282 HA ALA 42 HA ALA 42 -5.695 19.537 8.796 283 HB1 ALA 42 HB1 ALA 42 -3.427 18.654 8.264 284 HB2 ALA 42 HB2 ALA 42 -3.386 17.857 9.855 285 HB3 ALA 42 HB3 ALA 42 -4.589 17.359 8.641 286 H ALA 43 H ALA 43 -4.447 19.435 12.116 287 HA ALA 43 HA ALA 43 -6.199 17.441 13.063 288 HB1 ALA 43 HB1 ALA 43 -5.218 19.645 14.841 289 HB2 ALA 43 HB2 ALA 43 -5.218 17.884 15.101 290 HB3 ALA 43 HB3 ALA 43 -4.001 18.627 14.035 291 H SER 44 H SER 44 -6.516 20.892 12.339 292 HA SER 44 HA SER 44 -8.875 21.166 13.904 293 HB2 SER 44 HB2 SER 44 -7.029 22.897 12.578 294 HB3 SER 44 HB3 SER 44 -8.597 23.211 11.860 295 HG SER 44 HG SER 44 -7.980 24.448 13.884 296 H SER 45 H SER 45 -8.039 20.937 10.381 297 HA SER 45 HA SER 45 -10.570 21.212 9.397 298 HB2 SER 45 HB2 SER 45 -7.985 20.410 8.431 299 HB3 SER 45 HB3 SER 45 -9.148 19.245 7.829 300 HG SER 45 HG SER 45 -8.809 21.195 6.461 301 H ILE 46 H ILE 46 -8.830 18.266 10.563 302 HA ILE 46 HA ILE 46 -10.947 16.505 9.884 303 HB ILE 46 HB ILE 46 -8.484 16.281 11.599 304 HG12 ILE 46 HG12 ILE 46 -9.138 14.831 9.031 305 HG13 ILE 46 HG13 ILE 46 -8.415 16.428 9.029 306 HG21 ILE 46 HG21 ILE 46 -9.792 14.742 12.705 307 HG22 ILE 46 HG22 ILE 46 -10.749 14.345 11.258 308 HG23 ILE 46 HG23 ILE 46 -9.083 13.741 11.416 309 HD11 ILE 46 HD11 ILE 46 -6.452 15.236 9.100 310 HD12 ILE 46 HD12 ILE 46 -6.786 15.193 10.848 311 HD13 ILE 46 HD13 ILE 46 -7.230 13.807 9.823 312 H ALA 47 H ALA 47 -9.845 18.105 12.939 313 HA ALA 47 HA ALA 47 -11.622 16.977 14.676 314 HB1 ALA 47 HB1 ALA 47 -11.469 19.443 15.696 315 HB2 ALA 47 HB2 ALA 47 -10.069 18.344 15.696 316 HB3 ALA 47 HB3 ALA 47 -10.206 19.611 14.453 317 H ALA 48 H ALA 48 -12.138 19.615 12.288 318 HA ALA 48 HA ALA 48 -14.680 20.359 13.187 319 HB1 ALA 48 HB1 ALA 48 -12.877 20.887 10.964 320 HB2 ALA 48 HB2 ALA 48 -14.561 20.766 10.401 321 HB3 ALA 48 HB3 ALA 48 -14.131 21.931 11.675 322 H LYS 49 H LYS 49 -13.717 18.223 10.400 323 HA LYS 49 HA LYS 49 -14.972 16.799 9.217 324 HB2 LYS 49 HB2 LYS 49 -15.880 14.926 10.709 325 HB3 LYS 49 HB3 LYS 49 -14.162 15.263 10.777 326 HG2 LYS 49 HG2 LYS 49 -14.482 16.628 12.827 327 HG3 LYS 49 HG3 LYS 49 -16.216 16.388 12.741 328 HD2 LYS 49 HD2 LYS 49 -16.093 14.291 13.646 329 HD3 LYS 49 HD3 LYS 49 -14.724 13.839 12.650 330 HE2 LYS 49 HE2 LYS 49 -13.193 15.112 14.158 331 HE3 LYS 49 HE3 LYS 49 -14.557 15.597 15.145 332 HZ1 LYS 49 HZ1 LYS 49 -14.215 12.727 14.684 333 HZ2 LYS 49 HZ2 LYS 49 -13.161 13.438 15.702 334 HZ3 LYS 49 HZ3 LYS 49 -14.768 13.547 15.988 335 H MET 50 H MET 50 -16.316 19.247 9.443 336 HA MET 50 HA MET 50 -19.012 18.553 10.209 337 HB2 MET 50 HB2 MET 50 -17.628 20.836 10.582 338 HB3 MET 50 HB3 MET 50 -18.187 21.198 8.961 339 HG2 MET 50 HG2 MET 50 -20.562 20.758 9.723 340 HG3 MET 50 HG3 MET 50 -19.965 20.507 11.351 341 HE1 MET 50 HE1 MET 50 -20.578 22.565 12.937 342 HE2 MET 50 HE2 MET 50 -21.374 23.914 12.091 343 HE3 MET 50 HE3 MET 50 -21.859 22.236 11.747 344 H MET 51 H MET 51 -20.547 17.895 8.760 345 HA MET 51 HA MET 51 -19.929 17.317 6.172 346 HB2 MET 51 HB2 MET 51 -22.317 17.438 7.904 347 HB3 MET 51 HB3 MET 51 -22.732 17.821 6.245 348 HG2 MET 51 HG2 MET 51 -22.944 15.448 6.366 349 HG3 MET 51 HG3 MET 51 -21.403 15.698 5.571 350 HE1 MET 51 HE1 MET 51 -19.842 13.306 6.619 351 HE2 MET 51 HE2 MET 51 -19.523 14.960 6.043 352 HE3 MET 51 HE3 MET 51 -18.808 14.396 7.572 353 H SER 52 H SER 52 -19.659 18.512 4.335 354 HA SER 52 HA SER 52 -21.319 20.694 3.769 355 HB2 SER 52 HB2 SER 52 -18.446 21.327 4.574 356 HB3 SER 52 HB3 SER 52 -19.475 22.441 3.697 357 HG SER 52 HG SER 52 -19.409 21.894 6.394 358 H THR 53 H THR 53 -17.952 19.412 3.249 359 HA THR 53 HA THR 53 -18.568 19.347 0.368 360 HB THR 53 HB THR 53 -16.331 20.099 -0.066 361 HG1 THR 53 HG1 THR 53 -16.006 19.568 2.805 362 HG21 THR 53 HG21 THR 53 -17.920 21.778 1.367 363 HG22 THR 53 HG22 THR 53 -16.609 21.561 2.552 364 HG23 THR 53 HG23 THR 53 -16.248 22.207 0.933 365 H ALA 54 H ALA 54 -19.093 17.280 -0.065 366 HA ALA 54 HA ALA 54 -18.037 15.114 1.398 367 HB1 ALA 54 HB1 ALA 54 -20.058 15.611 -0.537 368 HB2 ALA 54 HB2 ALA 54 -18.993 14.361 -1.224 369 HB3 ALA 54 HB3 ALA 54 -19.756 14.106 0.364 370 H ALA 55 H ALA 55 -17.468 16.223 -2.023 371 HA ALA 55 HA ALA 55 -14.712 15.309 -1.733 372 HB1 ALA 55 HB1 ALA 55 -16.405 14.586 -4.148 373 HB2 ALA 55 HB2 ALA 55 -14.786 13.986 -3.717 374 HB3 ALA 55 HB3 ALA 55 -16.202 13.493 -2.758 375 H ILE 56 H ILE 56 -13.238 16.398 -3.179 376 HA ILE 56 HA ILE 56 -13.762 19.060 -3.557 377 HB ILE 56 HB ILE 56 -11.773 19.050 -5.000 378 HG12 ILE 56 HG12 ILE 56 -11.469 16.092 -4.618 379 HG13 ILE 56 HG13 ILE 56 -12.476 16.673 -5.929 380 HG21 ILE 56 HG21 ILE 56 -11.442 17.298 -2.550 381 HG22 ILE 56 HG22 ILE 56 -10.211 18.331 -3.313 382 HG23 ILE 56 HG23 ILE 56 -11.624 19.068 -2.521 383 HD11 ILE 56 HD11 ILE 56 -9.717 16.390 -6.038 384 HD12 ILE 56 HD12 ILE 56 -10.686 17.395 -7.143 385 HD13 ILE 56 HD13 ILE 56 -9.910 18.131 -5.719 386 H ALA 57 H ALA 57 -13.433 20.073 -5.966 387 HA ALA 57 HA ALA 57 -15.871 19.357 -7.294 388 HB1 ALA 57 HB1 ALA 57 -13.911 21.293 -8.466 389 HB2 ALA 57 HB2 ALA 57 -15.676 21.424 -8.284 390 HB3 ALA 57 HB3 ALA 57 -14.615 21.697 -6.882 391 H ASN 58 H ASN 58 -15.393 17.150 -7.946 392 HA ASN 58 HA ASN 58 -14.422 17.030 -10.537 393 HB2 ASN 58 HB2 ASN 58 -12.287 17.045 -8.796 394 HB3 ASN 58 HB3 ASN 58 -12.623 15.325 -8.840 395 HD21 ASN 58 HD21 ASN 58 -10.994 17.821 -10.272 396 HD22 ASN 58 HD22 ASN 58 -10.634 17.134 -11.821 397 H GLY 59 H GLY 59 -16.413 15.842 -10.789 398 HA2 GLY 59 HA2 GLY 59 -17.677 13.984 -10.896 399 HA3 GLY 59 HA3 GLY 59 -16.307 13.059 -10.315 400 H GLY 60 H GLY 60 -16.652 11.994 -8.421 401 HA2 GLY 60 HA2 GLY 60 -17.563 13.214 -6.078 402 HA3 GLY 60 HA3 GLY 60 -18.937 12.432 -6.834 403 H GLY 61 H GLY 61 -15.403 11.622 -6.465 404 HA2 GLY 61 HA2 GLY 61 -16.236 8.923 -5.597 405 HA3 GLY 61 HA3 GLY 61 -14.739 9.318 -6.418 406 H VAL 62 H VAL 62 -14.858 7.890 -3.929 407 HA VAL 62 HA VAL 62 -14.687 9.229 -1.614 408 HB VAL 62 HB VAL 62 -12.887 7.043 -2.668 409 HG11 VAL 62 HG11 VAL 62 -13.141 8.261 0.072 410 HG12 VAL 62 HG12 VAL 62 -12.751 6.533 -0.105 411 HG13 VAL 62 HG13 VAL 62 -11.683 7.765 -0.819 412 HG21 VAL 62 HG21 VAL 62 -15.589 7.117 -1.367 413 HG22 VAL 62 HG22 VAL 62 -14.995 6.114 -2.713 414 HG23 VAL 62 HG23 VAL 62 -14.510 5.739 -1.041 415 H ALA 63 H ALA 63 -11.550 8.418 -3.201 416 HA ALA 63 HA ALA 63 -10.252 10.593 -1.998 417 HB1 ALA 63 HB1 ALA 63 -9.543 8.774 -4.331 418 HB2 ALA 63 HB2 ALA 63 -8.416 9.949 -3.613 419 HB3 ALA 63 HB3 ALA 63 -9.042 8.602 -2.632 420 H ALA 64 H ALA 64 -10.850 10.026 -5.543 421 HA ALA 64 HA ALA 64 -10.923 11.504 -7.217 422 HB1 ALA 64 HB1 ALA 64 -12.930 12.612 -5.221 423 HB2 ALA 64 HB2 ALA 64 -12.806 13.185 -6.901 424 HB3 ALA 64 HB3 ALA 64 -13.235 11.490 -6.568 425 H GLY 65 H GLY 65 -8.773 12.320 -7.206 426 HA2 GLY 65 HA2 GLY 65 -8.328 14.953 -7.255 427 HA3 GLY 65 HA3 GLY 65 -8.166 14.623 -5.542 428 H SER 66 H SER 66 -5.874 15.427 -6.089 429 HA SER 66 HA SER 66 -4.168 14.062 -7.699 430 HB2 SER 66 HB2 SER 66 -3.796 15.624 -5.134 431 HB3 SER 66 HB3 SER 66 -2.414 14.831 -5.864 432 HG SER 66 HG SER 66 -3.293 17.206 -6.501 433 H LEU 67 H LEU 67 -5.361 13.267 -4.425 434 HA LEU 67 HA LEU 67 -3.501 11.390 -3.668 435 HB2 LEU 67 HB2 LEU 67 -6.323 12.004 -3.046 436 HB3 LEU 67 HB3 LEU 67 -5.799 10.378 -2.653 437 HG LEU 67 HG LEU 67 -5.615 11.937 -0.754 438 HD11 LEU 67 HD11 LEU 67 -3.535 11.173 0.041 439 HD12 LEU 67 HD12 LEU 67 -4.088 9.930 -1.107 440 HD13 LEU 67 HD13 LEU 67 -2.839 11.099 -1.596 441 HD21 LEU 67 HD21 LEU 67 -3.528 13.356 -2.432 442 HD22 LEU 67 HD22 LEU 67 -5.131 13.990 -1.988 443 HD23 LEU 67 HD23 LEU 67 -3.911 13.691 -0.726 444 H VAL 68 H VAL 68 -6.233 11.149 -5.971 445 HA VAL 68 HA VAL 68 -6.356 8.418 -6.239 446 HB VAL 68 HB VAL 68 -7.669 10.456 -7.286 447 HG11 VAL 68 HG11 VAL 68 -5.711 11.121 -8.714 448 HG12 VAL 68 HG12 VAL 68 -5.936 9.611 -9.629 449 HG13 VAL 68 HG13 VAL 68 -7.221 10.842 -9.615 450 HG21 VAL 68 HG21 VAL 68 -8.050 7.856 -7.340 451 HG22 VAL 68 HG22 VAL 68 -8.941 8.919 -8.456 452 HG23 VAL 68 HG23 VAL 68 -7.520 8.015 -9.032 453 H ALA 69 H ALA 69 -4.077 10.788 -7.710 454 HA ALA 69 HA ALA 69 -2.812 8.876 -9.365 455 HB1 ALA 69 HB1 ALA 69 -2.850 11.611 -9.153 456 HB2 ALA 69 HB2 ALA 69 -1.255 11.229 -8.461 457 HB3 ALA 69 HB3 ALA 69 -1.662 10.690 -10.107 458 H ILE 70 H ILE 70 -2.497 9.887 -5.972 459 HA ILE 70 HA ILE 70 0.075 8.799 -5.572 460 HB ILE 70 HB ILE 70 -2.153 9.360 -3.611 461 HG12 ILE 70 HG12 ILE 70 -1.247 11.249 -5.158 462 HG13 ILE 70 HG13 ILE 70 -1.429 11.541 -3.440 463 HG21 ILE 70 HG21 ILE 70 -0.214 9.580 -1.998 464 HG22 ILE 70 HG22 ILE 70 -0.610 7.928 -2.531 465 HG23 ILE 70 HG23 ILE 70 0.788 8.778 -3.231 466 HD11 ILE 70 HD11 ILE 70 1.199 10.478 -4.514 467 HD12 ILE 70 HD12 ILE 70 0.823 12.215 -4.610 468 HD13 ILE 70 HD13 ILE 70 0.893 11.406 -3.026 469 H LEU 71 H LEU 71 -3.245 7.566 -4.745 470 HA LEU 71 HA LEU 71 -2.360 5.079 -3.866 471 HB2 LEU 71 HB2 LEU 71 -4.942 6.267 -4.750 472 HB3 LEU 71 HB3 LEU 71 -4.842 4.520 -4.659 473 HG LEU 71 HG LEU 71 -5.771 5.483 -2.616 474 HD11 LEU 71 HD11 LEU 71 -3.128 4.530 -1.650 475 HD12 LEU 71 HD12 LEU 71 -4.774 3.992 -1.234 476 HD13 LEU 71 HD13 LEU 71 -4.021 3.458 -2.756 477 HD21 LEU 71 HD21 LEU 71 -4.700 7.016 -1.230 478 HD22 LEU 71 HD22 LEU 71 -3.109 6.736 -1.978 479 HD23 LEU 71 HD23 LEU 71 -4.365 7.632 -2.866 480 H GLN 72 H GLN 72 -2.970 6.396 -7.116 481 HA GLN 72 HA GLN 72 -3.153 3.990 -8.453 482 HB2 GLN 72 HB2 GLN 72 -2.797 6.815 -9.108 483 HB3 GLN 72 HB3 GLN 72 -1.850 5.813 -10.189 484 HG2 GLN 72 HG2 GLN 72 -3.959 4.378 -10.526 485 HG3 GLN 72 HG3 GLN 72 -4.846 5.612 -9.654 486 HE21 GLN 72 HE21 GLN 72 -5.800 7.066 -10.839 487 HE22 GLN 72 HE22 GLN 72 -5.326 7.629 -12.407 488 H SER 73 H SER 73 -0.261 6.151 -7.981 489 HA SER 73 HA SER 73 1.471 4.234 -9.095 490 HB2 SER 73 HB2 SER 73 1.935 6.759 -7.458 491 HB3 SER 73 HB3 SER 73 3.257 5.782 -8.065 492 HG SER 73 HG SER 73 2.532 6.156 -10.226 493 H VAL 74 H VAL 74 1.446 5.638 -5.731 494 HA VAL 74 HA VAL 74 3.036 3.883 -4.488 495 HB VAL 74 HB VAL 74 0.482 5.196 -3.568 496 HG11 VAL 74 HG11 VAL 74 0.664 3.405 -2.047 497 HG12 VAL 74 HG12 VAL 74 2.440 3.513 -1.993 498 HG13 VAL 74 HG13 VAL 74 1.448 4.776 -1.225 499 HG21 VAL 74 HG21 VAL 74 2.943 6.262 -4.187 500 HG22 VAL 74 HG22 VAL 74 1.740 7.001 -3.103 501 HG23 VAL 74 HG23 VAL 74 3.065 6.022 -2.428 502 H GLY 75 H GLY 75 -0.373 3.344 -5.480 503 HA2 GLY 75 HA2 GLY 75 -0.758 0.902 -4.141 504 HA3 GLY 75 HA3 GLY 75 -1.633 1.483 -5.544 505 H ALA 76 H ALA 76 -0.101 1.497 -7.675 506 HA ALA 76 HA ALA 76 0.366 -1.182 -8.264 507 HB1 ALA 76 HB1 ALA 76 1.544 1.239 -9.677 508 HB2 ALA 76 HB2 ALA 76 1.153 -0.350 -10.379 509 HB3 ALA 76 HB3 ALA 76 -0.154 0.734 -9.845 510 H ALA 77 H ALA 77 2.877 1.447 -8.199 511 HA ALA 77 HA ALA 77 5.078 -0.107 -8.203 512 HB1 ALA 77 HB1 ALA 77 4.816 2.326 -6.411 513 HB2 ALA 77 HB2 ALA 77 6.232 1.783 -7.342 514 HB3 ALA 77 HB3 ALA 77 4.815 2.453 -8.186 515 H GLY 78 H GLY 78 3.349 1.030 -5.210 516 HA2 GLY 78 HA2 GLY 78 4.786 -0.142 -3.262 517 HA3 GLY 78 HA3 GLY 78 3.037 -0.043 -3.241 518 H LEU 79 H LEU 79 1.852 -1.823 -4.587 519 HA LEU 79 HA LEU 79 2.424 -4.275 -3.515 520 HB2 LEU 79 HB2 LEU 79 0.485 -3.141 -5.155 521 HB3 LEU 79 HB3 LEU 79 1.138 -4.451 -6.119 522 HG LEU 79 HG LEU 79 -0.777 -5.237 -4.900 523 HD11 LEU 79 HD11 LEU 79 0.510 -7.087 -5.051 524 HD12 LEU 79 HD12 LEU 79 1.913 -6.315 -4.272 525 HD13 LEU 79 HD13 LEU 79 0.564 -6.918 -3.279 526 HD21 LEU 79 HD21 LEU 79 -0.896 -3.665 -3.095 527 HD22 LEU 79 HD22 LEU 79 -0.787 -5.302 -2.404 528 HD23 LEU 79 HD23 LEU 79 0.644 -4.244 -2.417 529 H SER 80 H SER 80 3.738 -2.701 -6.425 530 HA SER 80 HA SER 80 4.774 -4.976 -7.606 531 HB2 SER 80 HB2 SER 80 4.856 -2.138 -8.008 532 HB3 SER 80 HB3 SER 80 6.514 -2.704 -8.048 533 HG SER 80 HG SER 80 6.043 -4.097 -9.757 534 H VAL 81 H VAL 81 6.872 -2.399 -6.159 535 HA VAL 81 HA VAL 81 9.065 -3.935 -5.740 536 HB VAL 81 HB VAL 81 8.775 -1.451 -5.505 537 HG11 VAL 81 HG11 VAL 81 7.774 -2.249 -2.753 538 HG12 VAL 81 HG12 VAL 81 8.306 -0.608 -3.192 539 HG13 VAL 81 HG13 VAL 81 6.897 -1.333 -4.003 540 HG21 VAL 81 HG21 VAL 81 10.298 -2.899 -3.311 541 HG22 VAL 81 HG22 VAL 81 10.884 -2.549 -4.954 542 HG23 VAL 81 HG23 VAL 81 10.567 -1.215 -3.819 543 H THR 82 H THR 82 6.020 -3.918 -3.944 544 HA THR 82 HA THR 82 6.952 -5.105 -1.576 545 HB THR 82 HB THR 82 4.262 -5.017 -3.025 546 HG1 THR 82 HG1 THR 82 5.472 -3.806 -0.638 547 HG21 THR 82 HG21 THR 82 3.578 -5.389 -0.440 548 HG22 THR 82 HG22 THR 82 3.774 -6.770 -1.546 549 HG23 THR 82 HG23 THR 82 5.091 -6.328 -0.433 550 H SER 83 H SER 83 4.788 -6.880 -3.830 551 HA SER 83 HA SER 83 5.489 -9.330 -3.037 552 HB2 SER 83 HB2 SER 83 4.771 -8.379 -5.841 553 HB3 SER 83 HB3 SER 83 4.849 -10.074 -5.404 554 HG SER 83 HG SER 83 2.776 -9.736 -4.902 555 H LYS 84 H LYS 84 7.035 -7.446 -5.734 556 HA LYS 84 HA LYS 84 8.851 -9.279 -6.586 557 HB2 LYS 84 HB2 LYS 84 8.678 -6.319 -6.535 558 HB3 LYS 84 HB3 LYS 84 10.282 -6.975 -6.788 559 HG2 LYS 84 HG2 LYS 84 8.842 -8.592 -8.475 560 HG3 LYS 84 HG3 LYS 84 7.865 -7.139 -8.544 561 HD2 LYS 84 HD2 LYS 84 9.635 -5.824 -9.422 562 HD3 LYS 84 HD3 LYS 84 10.873 -6.919 -8.841 563 HE2 LYS 84 HE2 LYS 84 10.490 -8.493 -10.572 564 HE3 LYS 84 HE3 LYS 84 8.865 -7.914 -10.881 565 HZ1 LYS 84 HZ1 LYS 84 11.195 -7.103 -12.169 566 HZ2 LYS 84 HZ2 LYS 84 9.698 -6.505 -12.399 567 HZ3 LYS 84 HZ3 LYS 84 10.676 -5.837 -11.271 568 H VAL 85 H VAL 85 9.456 -6.788 -4.003 569 HA VAL 85 HA VAL 85 11.931 -7.633 -3.248 570 HB VAL 85 HB VAL 85 9.626 -6.373 -1.798 571 HG11 VAL 85 HG11 VAL 85 12.325 -7.048 -0.579 572 HG12 VAL 85 HG12 VAL 85 11.108 -5.970 0.145 573 HG13 VAL 85 HG13 VAL 85 10.743 -7.697 -0.086 574 HG21 VAL 85 HG21 VAL 85 11.112 -5.193 -3.534 575 HG22 VAL 85 HG22 VAL 85 10.870 -4.383 -1.967 576 HG23 VAL 85 HG23 VAL 85 12.389 -5.252 -2.295 577 H ILE 86 H ILE 86 8.735 -9.053 -2.483 578 HA ILE 86 HA ILE 86 9.793 -10.855 -0.548 579 HB ILE 86 HB ILE 86 7.169 -10.798 -2.040 580 HG12 ILE 86 HG12 ILE 86 7.794 -9.895 0.784 581 HG13 ILE 86 HG13 ILE 86 7.710 -8.812 -0.591 582 HG21 ILE 86 HG21 ILE 86 6.675 -12.150 0.266 583 HG22 ILE 86 HG22 ILE 86 7.003 -12.914 -1.307 584 HG23 ILE 86 HG23 ILE 86 8.315 -12.722 -0.120 585 HD11 ILE 86 HD11 ILE 86 5.519 -8.670 0.201 586 HD12 ILE 86 HD12 ILE 86 5.347 -9.982 -0.990 587 HD13 ILE 86 HD13 ILE 86 5.496 -10.366 0.742 588 H GLY 87 H GLY 87 8.266 -11.502 -3.784 589 HA2 GLY 87 HA2 GLY 87 10.300 -12.833 -5.008 590 HA3 GLY 87 HA3 GLY 87 9.595 -14.046 -3.958 591 H GLY 88 H GLY 88 9.603 -13.454 -7.041 592 HA2 GLY 88 HA2 GLY 88 7.281 -12.732 -8.140 593 HA3 GLY 88 HA3 GLY 88 8.176 -14.142 -8.671 594 H PHE 89 H PHE 89 5.149 -13.396 -8.276 595 HA PHE 89 HA PHE 89 3.881 -14.675 -6.335 596 HB2 PHE 89 HB2 PHE 89 3.530 -14.526 -9.357 597 HB3 PHE 89 HB3 PHE 89 2.384 -15.497 -8.453 598 HD1 PHE 89 HD2 PHE 89 1.278 -14.284 -6.391 599 HD2 PHE 89 HD1 PHE 89 3.088 -12.276 -9.662 600 HE1 PHE 89 HE2 PHE 89 -0.051 -12.222 -5.860 601 HE2 PHE 89 HE1 PHE 89 1.760 -10.214 -9.130 602 HZ PHE 89 HZ PHE 89 0.206 -10.211 -7.236 603 H ALA 90 H ALA 90 4.788 -16.495 -5.354 604 HA ALA 90 HA ALA 90 4.248 -18.976 -6.607 605 HB1 ALA 90 HB1 ALA 90 6.540 -19.808 -6.779 606 HB2 ALA 90 HB2 ALA 90 6.356 -18.355 -7.790 607 HB3 ALA 90 HB3 ALA 90 7.178 -18.245 -6.216 608 H GLY 91 H GLY 91 3.137 -18.048 -4.367 609 HA2 GLY 91 HA2 GLY 91 2.722 -18.792 -2.266 610 HA3 GLY 91 HA3 GLY 91 4.125 -19.839 -2.355 611 H THR 92 H THR 92 6.351 -18.589 -2.372 612 HA THR 92 HA THR 92 7.713 -17.569 -0.877 613 HB THR 92 HB THR 92 7.729 -15.149 -1.358 614 HG1 THR 92 HG1 THR 92 5.106 -15.682 -2.537 615 HG21 THR 92 HG21 THR 92 7.114 -15.178 -3.887 616 HG22 THR 92 HG22 THR 92 8.380 -16.315 -3.365 617 HG23 THR 92 HG23 THR 92 6.722 -16.897 -3.649 618 H ALA 93 H ALA 93 7.180 -18.440 1.139 619 HA ALA 93 HA ALA 93 5.060 -17.191 2.642 620 HB1 ALA 93 HB1 ALA 93 6.888 -19.544 2.904 621 HB2 ALA 93 HB2 ALA 93 6.266 -18.826 4.408 622 HB3 ALA 93 HB3 ALA 93 5.133 -19.425 3.173 623 H LEU 94 H LEU 94 5.501 -15.098 3.244 624 HA LEU 94 HA LEU 94 7.898 -13.924 3.607 625 HB2 LEU 94 HB2 LEU 94 5.226 -13.510 4.903 626 HB3 LEU 94 HB3 LEU 94 6.598 -12.532 5.384 627 HG LEU 94 HG LEU 94 5.784 -12.765 2.488 628 HD11 LEU 94 HD11 LEU 94 4.788 -10.608 4.358 629 HD12 LEU 94 HD12 LEU 94 4.329 -10.904 2.664 630 HD13 LEU 94 HD13 LEU 94 3.837 -12.051 3.933 631 HD21 LEU 94 HD21 LEU 94 7.448 -11.348 2.112 632 HD22 LEU 94 HD22 LEU 94 6.828 -10.213 3.335 633 HD23 LEU 94 HD23 LEU 94 7.930 -11.526 3.816 634 H GLY 95 H GLY 95 9.002 -13.209 5.692 635 HA2 GLY 95 HA2 GLY 95 8.901 -14.190 8.142 636 HA3 GLY 95 HA3 GLY 95 9.492 -15.603 7.291 637 H ALA 96 H ALA 96 11.634 -15.730 7.918 638 HA ALA 96 HA ALA 96 13.216 -13.306 7.974 639 HB1 ALA 96 HB1 ALA 96 13.974 -16.198 8.550 640 HB2 ALA 96 HB2 ALA 96 14.913 -14.745 8.970 641 HB3 ALA 96 HB3 ALA 96 13.348 -15.053 9.760 642 H TRP 97 H TRP 97 12.580 -13.195 5.496 643 HA TRP 97 HA TRP 97 13.317 -13.206 3.409 644 HB2 TRP 97 HB2 TRP 97 15.804 -13.799 4.924 645 HB3 TRP 97 HB3 TRP 97 15.833 -14.103 3.198 646 HD1 TRP 97 HD1 TRP 97 14.659 -11.722 1.796 647 HE1 TRP 97 HE1 TRP 97 15.409 -9.204 2.047 648 HE3 TRP 97 HE3 TRP 97 16.859 -12.282 6.346 649 HZ2 TRP 97 HZ2 TRP 97 16.806 -7.762 4.075 650 HZ3 TRP 97 HZ3 TRP 97 17.893 -10.269 7.392 651 HH2 TRP 97 HH2 TRP 97 17.890 -8.067 6.331 652 H LEU 98 H LEU 98 13.021 -14.627 1.674 653 HA LEU 98 HA LEU 98 13.811 -17.298 1.690 654 HB2 LEU 98 HB2 LEU 98 12.193 -17.606 3.452 655 HB3 LEU 98 HB3 LEU 98 10.941 -16.830 2.502 656 HG LEU 98 HG LEU 98 12.210 -19.183 1.227 657 HD11 LEU 98 HD11 LEU 98 11.626 -20.812 2.668 658 HD12 LEU 98 HD12 LEU 98 11.783 -19.516 3.878 659 HD13 LEU 98 HD13 LEU 98 10.179 -19.945 3.237 660 HD21 LEU 98 HD21 LEU 98 9.788 -17.670 1.048 661 HD22 LEU 98 HD22 LEU 98 10.392 -18.960 -0.019 662 HD23 LEU 98 HD23 LEU 98 9.385 -19.370 1.390 663 H GLY 99 H GLY 99 14.395 -15.702 -0.218 664 HA2 GLY 99 HA2 GLY 99 12.767 -16.536 -2.440 665 HA3 GLY 99 HA3 GLY 99 12.654 -14.819 -2.108 666 H SER 100 H SER 100 14.445 -17.260 -3.696 667 HA SER 100 HA SER 100 17.005 -16.197 -3.527 668 HB2 SER 100 HB2 SER 100 17.547 -17.678 -5.347 669 HB3 SER 100 HB3 SER 100 16.359 -18.502 -4.357 670 HG SER 100 HG SER 100 15.013 -17.043 -6.215 671 HA PRO 101 HA PRO 101 16.821 -12.880 -6.337 672 HB2 PRO 101 HB2 PRO 101 19.347 -12.814 -7.376 673 HB3 PRO 101 HB3 PRO 101 18.944 -12.173 -5.795 674 HG2 PRO 101 HG2 PRO 101 20.360 -14.678 -6.473 675 HG3 PRO 101 HG3 PRO 101 20.320 -13.818 -4.947 676 HD2 PRO 101 HD2 PRO 101 18.875 -16.206 -5.609 677 HD3 PRO 101 HD3 PRO 101 18.748 -15.281 -4.126 678 HA PRO 102 HA PRO 102 15.822 -14.247 -10.230 679 HB2 PRO 102 HB2 PRO 102 15.468 -11.881 -11.552 680 HB3 PRO 102 HB3 PRO 102 14.245 -12.594 -10.519 681 HG2 PRO 102 HG2 PRO 102 16.014 -10.287 -9.978 682 HG3 PRO 102 HG3 PRO 102 14.529 -10.746 -9.168 683 HD2 PRO 102 HD2 PRO 102 17.201 -11.121 -8.195 684 HD3 PRO 102 HD3 PRO 102 15.722 -11.682 -7.441 685 H SER 103 H SER 103 17.955 -11.441 -10.567 686 HA SER 103 HA SER 103 19.810 -11.180 -11.663 687 HB2 SER 103 HB2 SER 103 19.891 -14.086 -11.048 688 HB3 SER 103 HB3 SER 103 20.908 -13.613 -12.394 689 HG SER 103 HG SER 103 21.614 -11.799 -10.802 690 H SER 104 H SER 104 17.740 -10.692 -13.227 691 HA SER 104 HA SER 104 18.076 -12.328 -15.608 692 HB2 SER 104 HB2 SER 104 15.915 -11.355 -16.347 693 HB3 SER 104 HB3 SER 104 15.765 -12.162 -14.798 694 HG SER 104 HG SER 104 14.857 -9.829 -15.195 Start of MODEL 11 1 H MET 1 H1 MET 1 -5.870 -20.323 -2.842 2 HA MET 1 HA MET 1 -6.738 -17.802 -2.876 3 HB2 MET 1 HB2 MET 1 -5.883 -19.771 -5.008 4 HB3 MET 1 HB3 MET 1 -6.514 -18.232 -5.560 5 HG2 MET 1 HG2 MET 1 -4.696 -17.041 -4.770 6 HG3 MET 1 HG3 MET 1 -4.518 -18.045 -3.345 7 HE1 MET 1 HE1 MET 1 -1.855 -17.941 -3.716 8 HE2 MET 1 HE2 MET 1 -2.575 -19.414 -3.024 9 HE3 MET 1 HE3 MET 1 -1.283 -19.542 -4.242 10 H GLY 2 H GLY 2 -8.855 -17.165 -2.574 11 HA2 GLY 2 HA2 GLY 2 -10.817 -16.553 -3.799 12 HA3 GLY 2 HA3 GLY 2 -10.801 -18.122 -4.579 13 H LYS 3 H LYS 3 -11.252 -16.448 -1.422 14 HA LYS 3 HA LYS 3 -12.268 -18.813 -0.168 15 HB2 LYS 3 HB2 LYS 3 -11.475 -16.118 0.608 16 HB3 LYS 3 HB3 LYS 3 -12.979 -16.590 1.373 17 HG2 LYS 3 HG2 LYS 3 -11.252 -17.372 2.838 18 HG3 LYS 3 HG3 LYS 3 -11.839 -18.802 2.012 19 HD2 LYS 3 HD2 LYS 3 -9.548 -17.299 0.753 20 HD3 LYS 3 HD3 LYS 3 -9.209 -18.242 2.191 21 HE2 LYS 3 HE2 LYS 3 -10.754 -20.015 0.703 22 HE3 LYS 3 HE3 LYS 3 -9.882 -19.160 -0.554 23 HZ1 LYS 3 HZ1 LYS 3 -8.778 -20.803 1.620 24 HZ2 LYS 3 HZ2 LYS 3 -8.393 -20.818 0.038 25 HZ3 LYS 3 HZ3 LYS 3 -7.895 -19.580 0.985 26 H GLU 4 H GLU 4 -13.754 -15.586 -0.960 27 HA GLU 4 HA GLU 4 -16.314 -16.927 -0.954 28 HB2 GLU 4 HB2 GLU 4 -15.689 -14.620 0.197 29 HB3 GLU 4 HB3 GLU 4 -15.947 -13.959 -1.406 30 HG2 GLU 4 HG2 GLU 4 -18.235 -14.923 -1.465 31 HG3 GLU 4 HG3 GLU 4 -17.982 -15.672 0.099 32 H SER 5 H SER 5 -14.503 -14.554 -3.042 33 HA SER 5 HA SER 5 -15.461 -16.022 -5.331 34 HB2 SER 5 HB2 SER 5 -16.075 -13.782 -6.445 35 HB3 SER 5 HB3 SER 5 -17.199 -14.407 -5.255 36 HG SER 5 HG SER 5 -16.897 -12.233 -4.755 37 H GLY 6 H GLY 6 -13.757 -12.958 -4.330 38 HA2 GLY 6 HA2 GLY 6 -11.196 -13.632 -4.904 39 HA3 GLY 6 HA3 GLY 6 -11.846 -13.207 -6.475 40 H TRP 7 H TRP 7 -9.773 -11.687 -5.360 41 HA TRP 7 HA TRP 7 -9.195 -9.575 -5.029 42 HB2 TRP 7 HB2 TRP 7 -11.959 -9.273 -6.054 43 HB3 TRP 7 HB3 TRP 7 -11.292 -7.889 -5.211 44 HD1 TRP 7 HD1 TRP 7 -9.028 -6.759 -6.354 45 HE1 TRP 7 HE1 TRP 7 -8.117 -6.660 -8.829 46 HE3 TRP 7 HE3 TRP 7 -11.853 -10.607 -8.106 47 HZ2 TRP 7 HZ2 TRP 7 -8.668 -8.168 -11.188 48 HZ3 TRP 7 HZ3 TRP 7 -11.606 -11.229 -10.507 49 HH2 TRP 7 HH2 TRP 7 -10.081 -10.079 -12.031 50 H ASP 8 H ASP 8 -8.593 -8.965 -2.996 51 HA ASP 8 HA ASP 8 -8.649 -8.546 -0.871 52 HB2 ASP 8 HB2 ASP 8 -11.316 -7.615 -1.808 53 HB3 ASP 8 HB3 ASP 8 -11.244 -7.931 -0.086 54 H SER 9 H SER 9 -9.697 -9.290 1.342 55 HA SER 9 HA SER 9 -11.014 -11.858 0.915 56 HB2 SER 9 HB2 SER 9 -8.468 -11.294 2.167 57 HB3 SER 9 HB3 SER 9 -9.564 -11.902 3.392 58 HG SER 9 HG SER 9 -10.019 -13.736 1.966 59 H GLY 10 H GLY 10 -11.825 -12.603 3.364 60 HA2 GLY 10 HA2 GLY 10 -13.904 -10.808 4.004 61 HA3 GLY 10 HA3 GLY 10 -13.437 -12.246 4.890 62 H ARG 11 H ARG 11 -13.588 -11.371 6.989 63 HA ARG 11 HA ARG 11 -12.621 -8.885 7.668 64 HB2 ARG 11 HB2 ARG 11 -14.108 -10.741 8.953 65 HB3 ARG 11 HB3 ARG 11 -12.568 -11.125 9.695 66 HG2 ARG 11 HG2 ARG 11 -13.386 -8.223 9.557 67 HG3 ARG 11 HG3 ARG 11 -14.197 -9.249 10.723 68 HD2 ARG 11 HD2 ARG 11 -11.192 -9.426 10.598 69 HD3 ARG 11 HD3 ARG 11 -11.879 -7.972 11.294 70 HE ARG 11 HE ARG 11 -13.113 -10.400 12.350 71 HH11 ARG 11 HH22 ARG 11 -10.352 -8.206 12.699 72 HH12 ARG 11 HH21 ARG 11 -10.068 -8.627 14.355 73 HH21 ARG 11 HH12 ARG 11 -12.733 -10.938 14.501 74 HH22 ARG 11 HH11 ARG 11 -11.438 -10.195 15.382 75 H ALA 12 H ALA 12 -11.139 -12.188 7.926 76 HA ALA 12 HA ALA 12 -8.869 -11.703 9.265 77 HB1 ALA 12 HB1 ALA 12 -8.465 -13.231 6.756 78 HB2 ALA 12 HB2 ALA 12 -8.245 -13.732 8.450 79 HB3 ALA 12 HB3 ALA 12 -9.870 -13.737 7.725 80 H ALA 13 H ALA 13 -9.636 -10.714 5.901 81 HA ALA 13 HA ALA 13 -7.228 -10.006 4.930 82 HB1 ALA 13 HB1 ALA 13 -8.417 -8.707 3.427 83 HB2 ALA 13 HB2 ALA 13 -9.737 -9.694 4.098 84 HB3 ALA 13 HB3 ALA 13 -9.481 -8.033 4.685 85 H VAL 14 H VAL 14 -9.328 -7.846 6.974 86 HA VAL 14 HA VAL 14 -7.651 -5.732 7.204 87 HB VAL 14 HB VAL 14 -9.470 -6.995 9.260 88 HG11 VAL 14 HG11 VAL 14 -7.704 -5.398 10.189 89 HG12 VAL 14 HG12 VAL 14 -8.528 -4.119 9.266 90 HG13 VAL 14 HG13 VAL 14 -9.405 -5.004 10.537 91 HG21 VAL 14 HG21 VAL 14 -10.866 -6.410 7.516 92 HG22 VAL 14 HG22 VAL 14 -10.862 -4.904 8.465 93 HG23 VAL 14 HG23 VAL 14 -9.846 -5.042 7.010 94 H ALA 15 H ALA 15 -7.594 -8.800 9.118 95 HA ALA 15 HA ALA 15 -5.597 -8.103 10.885 96 HB1 ALA 15 HB1 ALA 15 -5.703 -10.309 11.483 97 HB2 ALA 15 HB2 ALA 15 -7.150 -10.281 10.446 98 HB3 ALA 15 HB3 ALA 15 -5.604 -10.881 9.800 99 H ALA 16 H ALA 16 -5.370 -9.504 7.555 100 HA ALA 16 HA ALA 16 -2.577 -9.730 7.564 101 HB1 ALA 16 HB1 ALA 16 -4.600 -10.555 5.951 102 HB2 ALA 16 HB2 ALA 16 -3.992 -9.178 5.001 103 HB3 ALA 16 HB3 ALA 16 -2.895 -10.510 5.439 104 H VAL 17 H VAL 17 -4.797 -7.015 7.142 105 HA VAL 17 HA VAL 17 -2.804 -5.355 5.899 106 HB VAL 17 HB VAL 17 -5.602 -4.922 6.936 107 HG11 VAL 17 HG11 VAL 17 -5.543 -2.651 6.165 108 HG12 VAL 17 HG12 VAL 17 -4.168 -2.881 7.270 109 HG13 VAL 17 HG13 VAL 17 -3.900 -2.854 5.511 110 HG21 VAL 17 HG21 VAL 17 -6.129 -4.586 4.556 111 HG22 VAL 17 HG22 VAL 17 -4.425 -4.885 4.136 112 HG23 VAL 17 HG23 VAL 17 -5.409 -6.188 4.847 113 H VAL 18 H VAL 18 -3.725 -6.348 9.111 114 HA VAL 18 HA VAL 18 -2.762 -3.988 10.410 115 HB VAL 18 HB VAL 18 -4.443 -6.001 11.081 116 HG11 VAL 18 HG11 VAL 18 -3.547 -7.581 12.500 117 HG12 VAL 18 HG12 VAL 18 -2.216 -7.401 11.331 118 HG13 VAL 18 HG13 VAL 18 -2.134 -6.578 12.907 119 HG21 VAL 18 HG21 VAL 18 -2.883 -4.422 13.145 120 HG22 VAL 18 HG22 VAL 18 -4.137 -3.708 12.102 121 HG23 VAL 18 HG23 VAL 18 -4.562 -5.003 13.247 122 H GLY 19 H GLY 19 -1.424 -7.003 9.156 123 HA2 GLY 19 HA2 GLY 19 0.912 -7.102 10.748 124 HA3 GLY 19 HA3 GLY 19 0.649 -7.878 9.199 125 H GLY 20 H GLY 20 2.238 -5.304 10.877 126 HA2 GLY 20 HA2 GLY 20 4.153 -4.344 9.801 127 HA3 GLY 20 HA3 GLY 20 3.247 -4.264 8.303 128 H VAL 21 H VAL 21 2.029 -3.431 11.595 129 HA VAL 21 HA VAL 21 0.728 -1.156 10.866 130 HB VAL 21 HB VAL 21 0.953 -0.518 13.266 131 HG11 VAL 21 HG11 VAL 21 -0.305 -2.420 14.124 132 HG12 VAL 21 HG12 VAL 21 -0.805 -2.060 12.454 133 HG13 VAL 21 HG13 VAL 21 0.272 -3.438 12.783 134 HG21 VAL 21 HG21 VAL 21 2.031 -2.383 14.711 135 HG22 VAL 21 HG22 VAL 21 2.923 -2.802 13.228 136 HG23 VAL 21 HG23 VAL 21 3.091 -1.179 13.940 137 H VAL 22 H VAL 22 4.113 -1.408 12.161 138 HA VAL 22 HA VAL 22 4.752 1.242 12.122 139 HB VAL 22 HB VAL 22 6.419 -1.196 11.482 140 HG11 VAL 22 HG11 VAL 22 7.334 1.095 10.692 141 HG12 VAL 22 HG12 VAL 22 7.546 1.440 12.426 142 HG13 VAL 22 HG13 VAL 22 8.386 0.057 11.684 143 HG21 VAL 22 HG21 VAL 22 7.203 -0.473 13.935 144 HG22 VAL 22 HG22 VAL 22 5.548 0.182 13.984 145 HG23 VAL 22 HG23 VAL 22 5.812 -1.548 13.657 146 H ALA 23 H ALA 23 4.992 -1.142 9.400 147 HA ALA 23 HA ALA 23 6.060 0.572 7.524 148 HB1 ALA 23 HB1 ALA 23 5.864 -1.854 7.236 149 HB2 ALA 23 HB2 ALA 23 4.089 -1.726 7.192 150 HB3 ALA 23 HB3 ALA 23 5.065 -1.014 5.885 151 H VAL 24 H VAL 24 2.675 0.131 8.642 152 HA VAL 24 HA VAL 24 1.544 1.755 6.627 153 HB VAL 24 HB VAL 24 0.557 0.963 9.374 154 HG11 VAL 24 HG11 VAL 24 -0.546 2.988 8.243 155 HG12 VAL 24 HG12 VAL 24 -1.160 1.827 7.041 156 HG13 VAL 24 HG13 VAL 24 -1.608 1.654 8.755 157 HG21 VAL 24 HG21 VAL 24 0.276 -0.311 6.641 158 HG22 VAL 24 HG22 VAL 24 0.939 -1.023 8.132 159 HG23 VAL 24 HG23 VAL 24 -0.806 -0.694 8.002 160 H GLY 25 H GLY 25 3.112 2.351 9.759 161 HA2 GLY 25 HA2 GLY 25 2.141 4.990 10.138 162 HA3 GLY 25 HA3 GLY 25 3.533 4.248 10.900 163 H THR 26 H THR 26 5.335 3.698 8.953 164 HA THR 26 HA THR 26 6.429 6.178 8.336 165 HB THR 26 HB THR 26 6.874 3.334 7.310 166 HG1 THR 26 HG1 THR 26 8.348 3.438 9.015 167 HG21 THR 26 HG21 THR 26 9.119 4.186 6.568 168 HG22 THR 26 HG22 THR 26 7.800 4.896 5.607 169 HG23 THR 26 HG23 THR 26 8.576 5.849 6.895 170 H VAL 27 H VAL 27 4.497 3.923 6.280 171 HA VAL 27 HA VAL 27 4.723 5.367 3.932 172 HB VAL 27 HB VAL 27 2.709 3.470 5.087 173 HG11 VAL 27 HG11 VAL 27 1.922 3.563 2.494 174 HG12 VAL 27 HG12 VAL 27 1.123 4.462 3.807 175 HG13 VAL 27 HG13 VAL 27 2.315 5.278 2.767 176 HG21 VAL 27 HG21 VAL 27 3.685 2.590 2.603 177 HG22 VAL 27 HG22 VAL 27 5.083 3.321 3.428 178 HG23 VAL 27 HG23 VAL 27 4.165 2.017 4.219 179 H LEU 28 H LEU 28 2.121 5.517 6.468 180 HA LEU 28 HA LEU 28 0.607 7.488 5.355 181 HB2 LEU 28 HB2 LEU 28 0.908 6.211 7.887 182 HB3 LEU 28 HB3 LEU 28 0.742 7.934 8.164 183 HG LEU 28 HG LEU 28 -1.208 6.970 6.222 184 HD11 LEU 28 HD11 LEU 28 -2.590 5.715 7.886 185 HD12 LEU 28 HD12 LEU 28 -1.114 4.869 7.362 186 HD13 LEU 28 HD13 LEU 28 -1.166 5.665 8.953 187 HD21 LEU 28 HD21 LEU 28 -1.040 9.120 7.750 188 HD22 LEU 28 HD22 LEU 28 -2.612 8.426 7.286 189 HD23 LEU 28 HD23 LEU 28 -1.932 8.089 8.896 190 H VAL 29 H VAL 29 3.145 8.084 7.893 191 HA VAL 29 HA VAL 29 3.216 10.760 7.829 192 HB VAL 29 HB VAL 29 5.496 8.786 7.986 193 HG11 VAL 29 HG11 VAL 29 5.479 11.769 8.202 194 HG12 VAL 29 HG12 VAL 29 6.490 10.852 9.344 195 HG13 VAL 29 HG13 VAL 29 6.739 10.671 7.591 196 HG21 VAL 29 HG21 VAL 29 3.379 9.555 9.780 197 HG22 VAL 29 HG22 VAL 29 4.661 8.340 10.004 198 HG23 VAL 29 HG23 VAL 29 4.949 10.034 10.471 199 H ALA 30 H ALA 30 4.669 8.526 5.408 200 HA ALA 30 HA ALA 30 6.066 10.422 3.948 201 HB1 ALA 30 HB1 ALA 30 6.585 8.554 2.815 202 HB2 ALA 30 HB2 ALA 30 5.392 7.668 3.794 203 HB3 ALA 30 HB3 ALA 30 4.907 8.394 2.243 204 H LEU 31 H LEU 31 2.664 9.213 3.564 205 HA LEU 31 HA LEU 31 2.119 11.013 1.444 206 HB2 LEU 31 HB2 LEU 31 0.752 8.917 2.947 207 HB3 LEU 31 HB3 LEU 31 -0.307 10.250 2.533 208 HG LEU 31 HG LEU 31 -0.412 8.496 0.854 209 HD11 LEU 31 HD11 LEU 31 -0.886 10.160 -0.532 210 HD12 LEU 31 HD12 LEU 31 0.237 11.250 0.318 211 HD13 LEU 31 HD13 LEU 31 0.831 10.213 -1.001 212 HD21 LEU 31 HD21 LEU 31 2.073 8.739 -0.498 213 HD22 LEU 31 HD22 LEU 31 2.423 8.406 1.215 214 HD23 LEU 31 HD23 LEU 31 1.371 7.307 0.292 215 H SER 32 H SER 32 0.549 10.877 4.714 216 HA SER 32 HA SER 32 -0.584 13.251 4.746 217 HB2 SER 32 HB2 SER 32 -0.472 11.498 6.610 218 HB3 SER 32 HB3 SER 32 1.032 12.237 7.121 219 HG SER 32 HG SER 32 -1.406 12.968 7.852 220 H ALA 33 H ALA 33 2.740 12.792 6.175 221 HA ALA 33 HA ALA 33 3.225 15.627 5.877 222 HB1 ALA 33 HB1 ALA 33 4.598 13.287 7.202 223 HB2 ALA 33 HB2 ALA 33 5.482 14.808 6.931 224 HB3 ALA 33 HB3 ALA 33 4.005 14.802 7.924 225 H MET 34 H MET 34 5.867 15.856 5.250 226 HA MET 34 HA MET 34 6.689 14.226 3.147 227 HB2 MET 34 HB2 MET 34 4.766 16.312 2.477 228 HB3 MET 34 HB3 MET 34 6.306 16.732 1.755 229 HG2 MET 34 HG2 MET 34 6.438 14.496 0.672 230 HG3 MET 34 HG3 MET 34 4.940 14.014 1.442 231 HE1 MET 34 HE1 MET 34 2.754 14.716 0.978 232 HE2 MET 34 HE2 MET 34 2.865 16.486 1.133 233 HE3 MET 34 HE3 MET 34 2.183 15.762 -0.343 234 H GLY 35 H GLY 35 6.671 17.526 4.596 235 HA2 GLY 35 HA2 GLY 35 9.615 17.461 4.555 236 HA3 GLY 35 HA3 GLY 35 8.765 18.853 3.915 237 H PHE 36 H PHE 36 6.751 19.478 5.561 238 HA PHE 36 HA PHE 36 7.152 19.093 8.283 239 HB2 PHE 36 HB2 PHE 36 8.099 21.419 8.768 240 HB3 PHE 36 HB3 PHE 36 9.240 20.378 7.939 241 HD1 PHE 36 HD1 PHE 36 9.669 20.709 5.508 242 HD2 PHE 36 HD2 PHE 36 7.281 23.411 7.745 243 HE1 PHE 36 HE1 PHE 36 9.935 22.436 3.707 244 HE2 PHE 36 HE2 PHE 36 7.548 25.139 5.944 245 HZ PHE 36 HZ PHE 36 8.872 24.631 3.946 246 H THR 37 H THR 37 4.977 19.149 6.419 247 HA THR 37 HA THR 37 3.434 21.343 7.603 248 HB THR 37 HB THR 37 4.304 21.856 5.210 249 HG1 THR 37 HG1 THR 37 1.441 21.509 5.767 250 HG21 THR 37 HG21 THR 37 2.006 20.047 4.379 251 HG22 THR 37 HG22 THR 37 3.278 20.767 3.363 252 HG23 THR 37 HG23 THR 37 3.665 19.404 4.440 253 H SER 38 H SER 38 2.106 20.264 8.944 254 HA SER 38 HA SER 38 0.031 18.815 7.928 255 HB2 SER 38 HB2 SER 38 0.581 16.501 8.784 256 HB3 SER 38 HB3 SER 38 1.512 16.990 7.382 257 HG SER 38 HG SER 38 3.346 17.086 8.557 258 H VAL 39 H VAL 39 2.351 19.296 10.624 259 HA VAL 39 HA VAL 39 0.650 18.567 12.710 260 HB VAL 39 HB VAL 39 2.204 20.249 13.958 261 HG11 VAL 39 HG11 VAL 39 3.559 18.480 14.430 262 HG12 VAL 39 HG12 VAL 39 2.302 17.596 13.532 263 HG13 VAL 39 HG13 VAL 39 3.811 18.070 12.716 264 HG21 VAL 39 HG21 VAL 39 3.890 21.267 12.855 265 HG22 VAL 39 HG22 VAL 39 4.155 19.881 11.770 266 HG23 VAL 39 HG23 VAL 39 2.852 21.044 11.426 267 H GLY 40 H GLY 40 1.687 21.925 12.858 268 HA2 GLY 40 HA2 GLY 40 -0.491 23.055 13.878 269 HA3 GLY 40 HA3 GLY 40 0.525 23.877 12.710 270 H ILE 41 H ILE 41 0.047 22.801 10.283 271 HA ILE 41 HA ILE 41 -2.229 23.911 9.392 272 HB ILE 41 HB ILE 41 -0.533 23.170 7.909 273 HG12 ILE 41 HG12 ILE 41 -2.177 21.443 6.521 274 HG13 ILE 41 HG13 ILE 41 -3.317 22.293 7.546 275 HG21 ILE 41 HG21 ILE 41 0.182 20.970 7.572 276 HG22 ILE 41 HG22 ILE 41 0.008 21.106 9.338 277 HG23 ILE 41 HG23 ILE 41 -1.244 20.279 8.381 278 HD11 ILE 41 HD11 ILE 41 -2.758 24.412 6.647 279 HD12 ILE 41 HD12 ILE 41 -1.191 23.838 6.029 280 HD13 ILE 41 HD13 ILE 41 -2.700 23.340 5.228 281 H ALA 42 H ALA 42 -1.876 20.422 10.345 282 HA ALA 42 HA ALA 42 -4.512 19.716 9.939 283 HB1 ALA 42 HB1 ALA 42 -3.958 17.930 11.677 284 HB2 ALA 42 HB2 ALA 42 -2.841 18.041 10.295 285 HB3 ALA 42 HB3 ALA 42 -2.381 18.734 11.869 286 H ALA 43 H ALA 43 -2.890 21.160 12.828 287 HA ALA 43 HA ALA 43 -5.043 21.012 14.560 288 HB1 ALA 43 HB1 ALA 43 -2.444 22.255 14.404 289 HB2 ALA 43 HB2 ALA 43 -3.617 23.429 15.049 290 HB3 ALA 43 HB3 ALA 43 -3.405 21.851 15.846 291 H SER 44 H SER 44 -4.340 23.209 11.844 292 HA SER 44 HA SER 44 -6.257 25.121 12.595 293 HB2 SER 44 HB2 SER 44 -5.124 24.541 9.822 294 HB3 SER 44 HB3 SER 44 -5.909 26.025 10.325 295 HG SER 44 HG SER 44 -3.520 24.996 11.592 296 H SER 45 H SER 45 -6.206 22.351 10.255 297 HA SER 45 HA SER 45 -8.733 22.761 9.246 298 HB2 SER 45 HB2 SER 45 -6.700 21.013 8.741 299 HB3 SER 45 HB3 SER 45 -7.803 19.936 9.574 300 HG SER 45 HG SER 45 -8.941 21.608 7.580 301 H ILE 46 H ILE 46 -7.649 20.413 11.816 302 HA ILE 46 HA ILE 46 -10.135 19.481 12.508 303 HB ILE 46 HB ILE 46 -7.653 19.879 14.179 304 HG12 ILE 46 HG12 ILE 46 -8.652 17.315 12.936 305 HG13 ILE 46 HG13 ILE 46 -7.627 18.425 12.047 306 HG21 ILE 46 HG21 ILE 46 -9.229 17.714 15.130 307 HG22 ILE 46 HG22 ILE 46 -8.777 19.217 15.970 308 HG23 ILE 46 HG23 ILE 46 -10.282 19.145 15.023 309 HD11 ILE 46 HD11 ILE 46 -6.925 17.275 14.787 310 HD12 ILE 46 HD12 ILE 46 -6.335 16.627 13.238 311 HD13 ILE 46 HD13 ILE 46 -5.870 18.267 13.752 312 H ALA 47 H ALA 47 -8.316 22.288 13.918 313 HA ALA 47 HA ALA 47 -10.156 23.048 15.790 314 HB1 ALA 47 HB1 ALA 47 -8.384 24.771 14.010 315 HB2 ALA 47 HB2 ALA 47 -9.149 25.307 15.525 316 HB3 ALA 47 HB3 ALA 47 -7.918 24.021 15.556 317 H ALA 48 H ALA 48 -9.990 24.022 12.296 318 HA ALA 48 HA ALA 48 -12.153 25.710 12.273 319 HB1 ALA 48 HB1 ALA 48 -10.779 23.933 10.276 320 HB2 ALA 48 HB2 ALA 48 -12.308 24.715 9.811 321 HB3 ALA 48 HB3 ALA 48 -10.918 25.707 10.314 322 H LYS 49 H LYS 49 -12.133 22.157 11.478 323 HA LYS 49 HA LYS 49 -13.739 20.643 11.519 324 HB2 LYS 49 HB2 LYS 49 -14.166 22.250 13.957 325 HB3 LYS 49 HB3 LYS 49 -15.558 21.310 13.460 326 HG2 LYS 49 HG2 LYS 49 -13.177 19.675 13.167 327 HG3 LYS 49 HG3 LYS 49 -13.184 20.380 14.772 328 HD2 LYS 49 HD2 LYS 49 -14.693 18.810 15.400 329 HD3 LYS 49 HD3 LYS 49 -15.864 19.568 14.339 330 HE2 LYS 49 HE2 LYS 49 -13.898 17.796 12.959 331 HE3 LYS 49 HE3 LYS 49 -14.970 16.970 14.071 332 HZ1 LYS 49 HZ1 LYS 49 -16.293 18.887 12.347 333 HZ2 LYS 49 HZ2 LYS 49 -15.650 17.618 11.555 334 HZ3 LYS 49 HZ3 LYS 49 -16.705 17.364 12.780 335 H MET 50 H MET 50 -14.765 20.711 9.561 336 HA MET 50 HA MET 50 -16.131 21.363 7.975 337 HB2 MET 50 HB2 MET 50 -17.687 20.939 10.475 338 HB3 MET 50 HB3 MET 50 -18.560 21.900 9.298 339 HG2 MET 50 HG2 MET 50 -19.131 19.933 8.301 340 HG3 MET 50 HG3 MET 50 -17.477 19.851 7.727 341 HE1 MET 50 HE1 MET 50 -16.865 17.164 7.885 342 HE2 MET 50 HE2 MET 50 -18.026 16.227 8.855 343 HE3 MET 50 HE3 MET 50 -18.613 17.411 7.663 344 H MET 51 H MET 51 -15.148 23.374 7.344 345 HA MET 51 HA MET 51 -16.864 25.611 7.910 346 HB2 MET 51 HB2 MET 51 -14.431 25.269 9.321 347 HB3 MET 51 HB3 MET 51 -14.007 26.387 8.040 348 HG2 MET 51 HG2 MET 51 -14.907 28.040 9.318 349 HG3 MET 51 HG3 MET 51 -16.482 27.363 8.957 350 HE1 MET 51 HE1 MET 51 -17.067 28.063 12.486 351 HE2 MET 51 HE2 MET 51 -15.420 28.715 12.307 352 HE3 MET 51 HE3 MET 51 -16.594 28.883 10.979 353 H SER 52 H SER 52 -17.492 25.616 5.716 354 HA SER 52 HA SER 52 -17.366 25.986 3.581 355 HB2 SER 52 HB2 SER 52 -15.073 27.687 4.582 356 HB3 SER 52 HB3 SER 52 -15.367 27.574 2.858 357 HG SER 52 HG SER 52 -17.338 28.367 4.830 358 H THR 53 H THR 53 -16.952 23.706 3.111 359 HA THR 53 HA THR 53 -14.432 23.336 1.743 360 HB THR 53 HB THR 53 -14.026 22.693 4.181 361 HG1 THR 53 HG1 THR 53 -14.169 20.673 2.056 362 HG21 THR 53 HG21 THR 53 -16.154 21.694 4.841 363 HG22 THR 53 HG22 THR 53 -16.134 20.604 3.434 364 HG23 THR 53 HG23 THR 53 -14.963 20.374 4.755 365 H ALA 54 H ALA 54 -14.476 21.634 0.200 366 HA ALA 54 HA ALA 54 -16.617 19.861 -0.046 367 HB1 ALA 54 HB1 ALA 54 -17.006 21.725 -2.275 368 HB2 ALA 54 HB2 ALA 54 -18.207 20.970 -1.199 369 HB3 ALA 54 HB3 ALA 54 -17.379 22.465 -0.700 370 H ALA 55 H ALA 55 -16.381 18.522 -1.981 371 HA ALA 55 HA ALA 55 -13.806 17.966 -2.656 372 HB1 ALA 55 HB1 ALA 55 -15.019 17.001 -4.807 373 HB2 ALA 55 HB2 ALA 55 -15.345 16.315 -3.197 374 HB3 ALA 55 HB3 ALA 55 -16.491 17.468 -3.922 375 H ILE 56 H ILE 56 -12.435 18.421 -4.466 376 HA ILE 56 HA ILE 56 -12.158 21.010 -5.168 377 HB ILE 56 HB ILE 56 -10.452 19.379 -5.531 378 HG12 ILE 56 HG12 ILE 56 -10.192 19.873 -8.192 379 HG13 ILE 56 HG13 ILE 56 -11.379 21.091 -7.768 380 HG21 ILE 56 HG21 ILE 56 -12.142 17.571 -6.229 381 HG22 ILE 56 HG22 ILE 56 -11.951 18.221 -7.875 382 HG23 ILE 56 HG23 ILE 56 -10.540 17.571 -7.005 383 HD11 ILE 56 HD11 ILE 56 -8.941 21.818 -7.541 384 HD12 ILE 56 HD12 ILE 56 -9.937 22.057 -6.085 385 HD13 ILE 56 HD13 ILE 56 -8.811 20.681 -6.177 386 H ALA 57 H ALA 57 -14.231 18.535 -6.747 387 HA ALA 57 HA ALA 57 -16.054 20.432 -7.656 388 HB1 ALA 57 HB1 ALA 57 -15.561 20.187 -10.142 389 HB2 ALA 57 HB2 ALA 57 -14.415 21.199 -9.231 390 HB3 ALA 57 HB3 ALA 57 -13.972 19.534 -9.679 391 H ASN 58 H ASN 58 -14.479 17.416 -8.955 392 HA ASN 58 HA ASN 58 -17.114 16.257 -9.110 393 HB2 ASN 58 HB2 ASN 58 -15.578 15.976 -11.044 394 HB3 ASN 58 HB3 ASN 58 -14.363 15.251 -10.010 395 HD21 ASN 58 HD21 ASN 58 -14.418 13.146 -9.561 396 HD22 ASN 58 HD22 ASN 58 -15.638 12.029 -10.075 397 H GLY 59 H GLY 59 -17.592 15.780 -6.873 398 HA2 GLY 59 HA2 GLY 59 -15.811 14.749 -5.001 399 HA3 GLY 59 HA3 GLY 59 -17.556 14.599 -4.963 400 H GLY 60 H GLY 60 -17.191 12.430 -4.012 401 HA2 GLY 60 HA2 GLY 60 -17.555 10.201 -4.433 402 HA3 GLY 60 HA3 GLY 60 -17.069 10.414 -6.103 403 H GLY 61 H GLY 61 -14.537 11.689 -5.784 404 HA2 GLY 61 HA2 GLY 61 -12.750 9.689 -5.675 405 HA3 GLY 61 HA3 GLY 61 -12.381 11.331 -5.186 406 H VAL 62 H VAL 62 -11.664 8.445 -4.167 407 HA VAL 62 HA VAL 62 -12.702 8.543 -1.474 408 HB VAL 62 HB VAL 62 -12.167 6.504 -3.063 409 HG11 VAL 62 HG11 VAL 62 -9.570 6.683 -1.512 410 HG12 VAL 62 HG12 VAL 62 -10.032 5.497 -2.756 411 HG13 VAL 62 HG13 VAL 62 -9.729 7.191 -3.211 412 HG21 VAL 62 HG21 VAL 62 -12.936 6.727 -0.514 413 HG22 VAL 62 HG22 VAL 62 -12.516 5.160 -1.246 414 HG23 VAL 62 HG23 VAL 62 -11.326 6.019 -0.238 415 H ALA 63 H ALA 63 -11.270 8.610 0.430 416 HA ALA 63 HA ALA 63 -9.594 9.418 1.636 417 HB1 ALA 63 HB1 ALA 63 -8.327 8.640 -0.844 418 HB2 ALA 63 HB2 ALA 63 -7.560 10.119 -0.219 419 HB3 ALA 63 HB3 ALA 63 -7.650 8.663 0.802 420 H ALA 64 H ALA 64 -9.340 11.197 -1.531 421 HA ALA 64 HA ALA 64 -10.613 13.496 -0.494 422 HB1 ALA 64 HB1 ALA 64 -8.157 14.692 -0.968 423 HB2 ALA 64 HB2 ALA 64 -8.855 14.363 0.636 424 HB3 ALA 64 HB3 ALA 64 -7.709 13.210 -0.090 425 H GLY 65 H GLY 65 -7.741 13.069 -2.672 426 HA2 GLY 65 HA2 GLY 65 -9.373 13.035 -5.035 427 HA3 GLY 65 HA3 GLY 65 -8.609 14.588 -4.762 428 H SER 66 H SER 66 -6.406 14.867 -5.173 429 HA SER 66 HA SER 66 -5.167 13.295 -6.937 430 HB2 SER 66 HB2 SER 66 -4.520 15.579 -5.490 431 HB3 SER 66 HB3 SER 66 -3.285 14.453 -4.962 432 HG SER 66 HG SER 66 -2.766 14.056 -7.226 433 H LEU 67 H LEU 67 -5.502 12.772 -3.454 434 HA LEU 67 HA LEU 67 -3.401 11.131 -2.889 435 HB2 LEU 67 HB2 LEU 67 -5.904 11.829 -1.754 436 HB3 LEU 67 HB3 LEU 67 -5.780 10.082 -1.690 437 HG LEU 67 HG LEU 67 -3.474 11.760 -0.746 438 HD11 LEU 67 HD11 LEU 67 -5.625 12.624 0.278 439 HD12 LEU 67 HD12 LEU 67 -5.785 11.033 1.060 440 HD13 LEU 67 HD13 LEU 67 -4.378 12.063 1.417 441 HD21 LEU 67 HD21 LEU 67 -2.715 9.869 0.223 442 HD22 LEU 67 HD22 LEU 67 -4.345 9.304 0.663 443 HD23 LEU 67 HD23 LEU 67 -3.747 9.088 -1.000 444 H VAL 68 H VAL 68 -6.584 10.215 -4.365 445 HA VAL 68 HA VAL 68 -6.236 7.534 -4.556 446 HB VAL 68 HB VAL 68 -7.837 7.577 -6.278 447 HG11 VAL 68 HG11 VAL 68 -8.725 10.160 -5.183 448 HG12 VAL 68 HG12 VAL 68 -9.481 8.551 -5.090 449 HG13 VAL 68 HG13 VAL 68 -8.191 8.995 -3.947 450 HG21 VAL 68 HG21 VAL 68 -6.909 8.896 -7.983 451 HG22 VAL 68 HG22 VAL 68 -8.354 9.802 -7.477 452 HG23 VAL 68 HG23 VAL 68 -6.742 10.317 -6.924 453 H ALA 69 H ALA 69 -4.830 10.110 -6.645 454 HA ALA 69 HA ALA 69 -3.782 8.527 -8.630 455 HB1 ALA 69 HB1 ALA 69 -3.843 11.128 -8.227 456 HB2 ALA 69 HB2 ALA 69 -2.243 10.859 -7.494 457 HB3 ALA 69 HB3 ALA 69 -2.529 10.414 -9.193 458 H ILE 70 H ILE 70 -2.343 9.430 -5.427 459 HA ILE 70 HA ILE 70 -0.001 7.900 -5.881 460 HB ILE 70 HB ILE 70 -1.228 9.134 -3.418 461 HG12 ILE 70 HG12 ILE 70 1.036 10.507 -3.852 462 HG13 ILE 70 HG13 ILE 70 0.709 10.023 -5.505 463 HG21 ILE 70 HG21 ILE 70 0.674 8.592 -2.159 464 HG22 ILE 70 HG22 ILE 70 0.241 7.081 -2.995 465 HG23 ILE 70 HG23 ILE 70 1.591 8.074 -3.595 466 HD11 ILE 70 HD11 ILE 70 -1.690 10.995 -4.049 467 HD12 ILE 70 HD12 ILE 70 -0.414 12.217 -4.264 468 HD13 ILE 70 HD13 ILE 70 -1.110 11.398 -5.683 469 H LEU 71 H LEU 71 -3.256 7.248 -4.641 470 HA LEU 71 HA LEU 71 -2.664 4.903 -3.241 471 HB2 LEU 71 HB2 LEU 71 -4.843 6.465 -3.600 472 HB3 LEU 71 HB3 LEU 71 -5.264 5.114 -4.634 473 HG LEU 71 HG LEU 71 -6.227 4.734 -2.485 474 HD11 LEU 71 HD11 LEU 71 -5.366 2.574 -1.923 475 HD12 LEU 71 HD12 LEU 71 -5.213 2.788 -3.684 476 HD13 LEU 71 HD13 LEU 71 -3.782 2.955 -2.639 477 HD21 LEU 71 HD21 LEU 71 -3.556 5.591 -1.471 478 HD22 LEU 71 HD22 LEU 71 -5.190 5.983 -0.886 479 HD23 LEU 71 HD23 LEU 71 -4.471 4.396 -0.521 480 H GLN 72 H GLN 72 -3.550 5.514 -6.692 481 HA GLN 72 HA GLN 72 -3.558 2.797 -7.352 482 HB2 GLN 72 HB2 GLN 72 -4.068 5.302 -8.647 483 HB3 GLN 72 HB3 GLN 72 -2.899 4.450 -9.635 484 HG2 GLN 72 HG2 GLN 72 -4.351 2.466 -9.744 485 HG3 GLN 72 HG3 GLN 72 -5.479 3.180 -8.609 486 HE21 GLN 72 HE21 GLN 72 -6.718 4.990 -9.212 487 HE22 GLN 72 HE22 GLN 72 -7.056 5.363 -10.869 488 H SER 73 H SER 73 -1.103 5.435 -7.796 489 HA SER 73 HA SER 73 0.778 3.895 -9.059 490 HB2 SER 73 HB2 SER 73 0.582 6.522 -8.030 491 HB3 SER 73 HB3 SER 73 1.986 5.841 -7.231 492 HG SER 73 HG SER 73 2.549 5.085 -9.558 493 H VAL 74 H VAL 74 0.981 4.974 -5.584 494 HA VAL 74 HA VAL 74 2.921 3.164 -4.847 495 HB VAL 74 HB VAL 74 0.714 4.496 -3.273 496 HG11 VAL 74 HG11 VAL 74 2.254 4.076 -1.293 497 HG12 VAL 74 HG12 VAL 74 1.385 2.657 -1.926 498 HG13 VAL 74 HG13 VAL 74 3.104 2.897 -2.321 499 HG21 VAL 74 HG21 VAL 74 2.648 5.765 -4.562 500 HG22 VAL 74 HG22 VAL 74 2.141 6.267 -2.931 501 HG23 VAL 74 HG23 VAL 74 3.605 5.276 -3.143 502 H GLY 75 H GLY 75 -0.568 2.752 -5.324 503 HA2 GLY 75 HA2 GLY 75 -1.022 0.454 -3.828 504 HA3 GLY 75 HA3 GLY 75 -1.876 0.927 -5.283 505 H ALA 76 H ALA 76 -0.609 0.521 -7.436 506 HA ALA 76 HA ALA 76 0.002 -2.232 -7.519 507 HB1 ALA 76 HB1 ALA 76 0.873 -1.213 -9.912 508 HB2 ALA 76 HB2 ALA 76 -0.821 -1.617 -9.547 509 HB3 ALA 76 HB3 ALA 76 -0.251 0.061 -9.381 510 H ALA 77 H ALA 77 2.059 0.681 -8.262 511 HA ALA 77 HA ALA 77 4.444 -0.515 -8.574 512 HB1 ALA 77 HB1 ALA 77 3.734 1.985 -8.593 513 HB2 ALA 77 HB2 ALA 77 4.169 1.970 -6.867 514 HB3 ALA 77 HB3 ALA 77 5.397 1.588 -8.098 515 H GLY 78 H GLY 78 3.025 0.502 -5.385 516 HA2 GLY 78 HA2 GLY 78 5.054 -0.395 -3.741 517 HA3 GLY 78 HA3 GLY 78 3.359 -0.289 -3.308 518 H LEU 79 H LEU 79 1.912 -2.164 -4.174 519 HA LEU 79 HA LEU 79 2.608 -4.502 -3.059 520 HB2 LEU 79 HB2 LEU 79 0.400 -3.749 -4.044 521 HB3 LEU 79 HB3 LEU 79 0.987 -4.315 -5.595 522 HG LEU 79 HG LEU 79 1.333 -6.401 -3.638 523 HD11 LEU 79 HD11 LEU 79 -1.384 -6.602 -3.608 524 HD12 LEU 79 HD12 LEU 79 -0.393 -5.980 -2.266 525 HD13 LEU 79 HD13 LEU 79 -1.161 -4.847 -3.405 526 HD21 LEU 79 HD21 LEU 79 -0.498 -6.211 -6.046 527 HD22 LEU 79 HD22 LEU 79 1.216 -6.690 -6.081 528 HD23 LEU 79 HD23 LEU 79 0.027 -7.698 -5.221 529 H SER 80 H SER 80 3.647 -3.243 -6.223 530 HA SER 80 HA SER 80 4.602 -5.655 -7.216 531 HB2 SER 80 HB2 SER 80 4.605 -2.865 -7.966 532 HB3 SER 80 HB3 SER 80 6.228 -3.490 -8.180 533 HG SER 80 HG SER 80 5.156 -5.338 -9.361 534 H VAL 81 H VAL 81 6.758 -2.869 -6.367 535 HA VAL 81 HA VAL 81 9.042 -4.243 -6.004 536 HB VAL 81 HB VAL 81 8.824 -1.818 -5.993 537 HG11 VAL 81 HG11 VAL 81 7.244 -2.354 -3.533 538 HG12 VAL 81 HG12 VAL 81 8.317 -0.934 -3.491 539 HG13 VAL 81 HG13 VAL 81 7.072 -1.072 -4.755 540 HG21 VAL 81 HG21 VAL 81 10.546 -1.316 -4.379 541 HG22 VAL 81 HG22 VAL 81 10.144 -2.767 -3.430 542 HG23 VAL 81 HG23 VAL 81 10.853 -2.935 -5.054 543 H THR 82 H THR 82 6.198 -4.207 -3.902 544 HA THR 82 HA THR 82 7.450 -5.151 -1.563 545 HB THR 82 HB THR 82 4.604 -5.262 -2.679 546 HG1 THR 82 HG1 THR 82 4.644 -3.275 -1.687 547 HG21 THR 82 HG21 THR 82 4.351 -5.378 0.053 548 HG22 THR 82 HG22 THR 82 4.261 -6.818 -0.991 549 HG23 THR 82 HG23 THR 82 5.787 -6.405 -0.172 550 H SER 83 H SER 83 5.110 -7.155 -3.422 551 HA SER 83 HA SER 83 5.976 -9.516 -2.518 552 HB2 SER 83 HB2 SER 83 3.994 -8.981 -4.064 553 HB3 SER 83 HB3 SER 83 5.115 -9.084 -5.408 554 HG SER 83 HG SER 83 5.578 -11.298 -4.026 555 H LYS 84 H LYS 84 7.286 -7.631 -5.304 556 HA LYS 84 HA LYS 84 8.983 -9.484 -6.375 557 HB2 LYS 84 HB2 LYS 84 8.493 -6.728 -6.626 558 HB3 LYS 84 HB3 LYS 84 10.207 -6.852 -6.285 559 HG2 LYS 84 HG2 LYS 84 10.178 -8.787 -8.086 560 HG3 LYS 84 HG3 LYS 84 8.649 -8.085 -8.578 561 HD2 LYS 84 HD2 LYS 84 9.631 -6.169 -9.424 562 HD3 LYS 84 HD3 LYS 84 10.880 -6.132 -8.195 563 HE2 LYS 84 HE2 LYS 84 11.804 -8.290 -9.410 564 HE3 LYS 84 HE3 LYS 84 10.799 -7.772 -10.749 565 HZ1 LYS 84 HZ1 LYS 84 13.020 -6.826 -10.935 566 HZ2 LYS 84 HZ2 LYS 84 11.962 -5.612 -10.691 567 HZ3 LYS 84 HZ3 LYS 84 12.873 -6.161 -9.447 568 H VAL 85 H VAL 85 9.667 -7.173 -3.659 569 HA VAL 85 HA VAL 85 12.249 -8.173 -3.195 570 HB VAL 85 HB VAL 85 10.862 -6.007 -2.437 571 HG11 VAL 85 HG11 VAL 85 9.644 -7.698 -0.789 572 HG12 VAL 85 HG12 VAL 85 11.073 -7.370 0.220 573 HG13 VAL 85 HG13 VAL 85 10.024 -6.029 -0.299 574 HG21 VAL 85 HG21 VAL 85 12.876 -6.504 -0.415 575 HG22 VAL 85 HG22 VAL 85 13.431 -7.072 -2.008 576 HG23 VAL 85 HG23 VAL 85 12.908 -5.383 -1.798 577 H ILE 86 H ILE 86 9.005 -9.254 -2.294 578 HA ILE 86 HA ILE 86 9.859 -10.886 -0.133 579 HB ILE 86 HB ILE 86 7.339 -10.874 -1.797 580 HG12 ILE 86 HG12 ILE 86 7.835 -9.735 0.967 581 HG13 ILE 86 HG13 ILE 86 7.881 -8.786 -0.505 582 HG21 ILE 86 HG21 ILE 86 8.008 -13.042 -0.517 583 HG22 ILE 86 HG22 ILE 86 7.557 -12.110 0.932 584 HG23 ILE 86 HG23 ILE 86 6.359 -12.390 -0.354 585 HD11 ILE 86 HD11 ILE 86 5.459 -10.420 -0.432 586 HD12 ILE 86 HD12 ILE 86 5.596 -9.416 1.031 587 HD13 ILE 86 HD13 ILE 86 5.620 -8.654 -0.577 588 H GLY 87 H GLY 87 8.749 -11.656 -3.511 589 HA2 GLY 87 HA2 GLY 87 10.167 -13.083 -4.849 590 HA3 GLY 87 HA3 GLY 87 10.540 -14.008 -3.408 591 H GLY 88 H GLY 88 7.760 -12.974 -5.492 592 HA2 GLY 88 HA2 GLY 88 5.724 -13.939 -5.794 593 HA3 GLY 88 HA3 GLY 88 6.716 -15.332 -6.174 594 H PHE 89 H PHE 89 5.073 -13.610 -3.457 595 HA PHE 89 HA PHE 89 5.419 -15.215 -1.377 596 HB2 PHE 89 HB2 PHE 89 3.451 -13.383 -2.409 597 HB3 PHE 89 HB3 PHE 89 2.540 -14.769 -1.840 598 HD1 PHE 89 HD1 PHE 89 3.418 -15.644 0.572 599 HD2 PHE 89 HD2 PHE 89 3.758 -11.678 -0.899 600 HE1 PHE 89 HE1 PHE 89 3.578 -14.784 2.925 601 HE2 PHE 89 HE2 PHE 89 3.918 -10.819 1.453 602 HZ PHE 89 HZ PHE 89 3.826 -12.382 3.338 603 H ALA 90 H ALA 90 5.790 -17.424 -1.655 604 HA ALA 90 HA ALA 90 3.418 -19.005 -2.054 605 HB1 ALA 90 HB1 ALA 90 4.088 -18.758 -4.366 606 HB2 ALA 90 HB2 ALA 90 5.781 -19.134 -3.967 607 HB3 ALA 90 HB3 ALA 90 4.534 -20.397 -3.836 608 H GLY 91 H GLY 91 3.818 -19.496 0.183 609 HA2 GLY 91 HA2 GLY 91 4.542 -20.979 1.734 610 HA3 GLY 91 HA3 GLY 91 5.602 -21.709 0.545 611 H THR 92 H THR 92 7.747 -20.817 0.169 612 HA THR 92 HA THR 92 8.766 -19.480 2.543 613 HB THR 92 HB THR 92 10.874 -20.360 1.817 614 HG1 THR 92 HG1 THR 92 9.499 -20.754 -0.746 615 HG21 THR 92 HG21 THR 92 9.098 -22.367 0.398 616 HG22 THR 92 HG22 THR 92 10.500 -22.665 1.453 617 HG23 THR 92 HG23 THR 92 8.943 -22.171 2.160 618 H ALA 93 H ALA 93 8.768 -17.330 2.665 619 HA ALA 93 HA ALA 93 9.947 -15.828 0.545 620 HB1 ALA 93 HB1 ALA 93 7.068 -16.184 0.596 621 HB2 ALA 93 HB2 ALA 93 7.483 -14.477 0.881 622 HB3 ALA 93 HB3 ALA 93 8.073 -15.304 -0.580 623 H LEU 94 H LEU 94 7.412 -14.925 2.962 624 HA LEU 94 HA LEU 94 8.891 -12.819 3.994 625 HB2 LEU 94 HB2 LEU 94 7.237 -12.744 5.735 626 HB3 LEU 94 HB3 LEU 94 6.480 -13.026 4.179 627 HG LEU 94 HG LEU 94 6.701 -15.582 4.996 628 HD11 LEU 94 HD11 LEU 94 6.974 -13.922 7.443 629 HD12 LEU 94 HD12 LEU 94 5.843 -15.294 7.523 630 HD13 LEU 94 HD13 LEU 94 7.548 -15.570 7.094 631 HD21 LEU 94 HD21 LEU 94 4.339 -14.642 6.249 632 HD22 LEU 94 HD22 LEU 94 4.638 -13.601 4.836 633 HD23 LEU 94 HD23 LEU 94 4.526 -15.366 4.633 634 H GLY 95 H GLY 95 10.432 -12.610 5.576 635 HA2 GLY 95 HA2 GLY 95 11.314 -13.475 7.669 636 HA3 GLY 95 HA3 GLY 95 11.185 -15.091 7.003 637 H ALA 96 H ALA 96 13.583 -13.562 8.021 638 HA ALA 96 HA ALA 96 15.652 -12.972 7.406 639 HB1 ALA 96 HB1 ALA 96 15.275 -15.602 7.143 640 HB2 ALA 96 HB2 ALA 96 15.648 -15.240 5.440 641 HB3 ALA 96 HB3 ALA 96 16.825 -14.838 6.714 642 H TRP 97 H TRP 97 14.417 -11.047 6.284 643 HA TRP 97 HA TRP 97 13.943 -10.882 3.622 644 HB2 TRP 97 HB2 TRP 97 14.996 -8.893 5.610 645 HB3 TRP 97 HB3 TRP 97 14.785 -8.447 3.929 646 HD1 TRP 97 HD1 TRP 97 11.967 -10.314 3.717 647 HE1 TRP 97 HE1 TRP 97 9.704 -9.311 4.629 648 HE3 TRP 97 HE3 TRP 97 14.118 -6.818 6.718 649 HZ2 TRP 97 HZ2 TRP 97 9.081 -7.215 6.463 650 HZ3 TRP 97 HZ3 TRP 97 12.610 -5.334 8.037 651 HH2 TRP 97 HH2 TRP 97 10.173 -5.490 7.944 652 H LEU 98 H LEU 98 15.268 -10.090 1.791 653 HA LEU 98 HA LEU 98 17.067 -10.052 0.507 654 HB2 LEU 98 HB2 LEU 98 18.015 -9.154 3.008 655 HB3 LEU 98 HB3 LEU 98 19.216 -10.279 2.405 656 HG LEU 98 HG LEU 98 19.727 -7.972 1.777 657 HD11 LEU 98 HD11 LEU 98 19.367 -10.155 -0.146 658 HD12 LEU 98 HD12 LEU 98 19.449 -8.544 -0.897 659 HD13 LEU 98 HD13 LEU 98 20.770 -9.103 0.156 660 HD21 LEU 98 HD21 LEU 98 17.599 -7.712 -0.235 661 HD22 LEU 98 HD22 LEU 98 17.033 -7.634 1.451 662 HD23 LEU 98 HD23 LEU 98 18.289 -6.509 0.880 663 H GLY 99 H GLY 99 17.964 -11.664 -0.716 664 HA2 GLY 99 HA2 GLY 99 19.440 -13.706 -0.422 665 HA3 GLY 99 HA3 GLY 99 18.136 -14.310 0.581 666 H SER 100 H SER 100 19.411 -14.353 -2.526 667 HA SER 100 HA SER 100 17.335 -14.070 -4.222 668 HB2 SER 100 HB2 SER 100 18.548 -15.503 -5.748 669 HB3 SER 100 HB3 SER 100 19.727 -14.605 -4.813 670 HG SER 100 HG SER 100 20.414 -16.755 -4.827 671 HA PRO 101 HA PRO 101 14.588 -17.291 -3.182 672 HB2 PRO 101 HB2 PRO 101 12.993 -17.293 -5.401 673 HB3 PRO 101 HB3 PRO 101 12.801 -16.153 -4.084 674 HG2 PRO 101 HG2 PRO 101 13.955 -15.706 -6.768 675 HG3 PRO 101 HG3 PRO 101 13.370 -14.524 -5.614 676 HD2 PRO 101 HD2 PRO 101 16.109 -15.163 -6.177 677 HD3 PRO 101 HD3 PRO 101 15.521 -14.067 -4.943 678 HA PRO 102 HA PRO 102 15.989 -20.916 -4.885 679 HB2 PRO 102 HB2 PRO 102 14.096 -22.703 -4.055 680 HB3 PRO 102 HB3 PRO 102 15.402 -22.145 -3.029 681 HG2 PRO 102 HG2 PRO 102 12.544 -21.391 -2.967 682 HG3 PRO 102 HG3 PRO 102 13.760 -21.189 -1.721 683 HD2 PRO 102 HD2 PRO 102 12.724 -19.152 -3.456 684 HD3 PRO 102 HD3 PRO 102 14.021 -18.977 -2.291 685 H SER 103 H SER 103 15.353 -19.568 -6.944 686 HA SER 103 HA SER 103 13.497 -21.337 -8.336 687 HB2 SER 103 HB2 SER 103 12.486 -19.123 -8.079 688 HB3 SER 103 HB3 SER 103 13.930 -18.341 -8.689 689 HG SER 103 HG SER 103 12.085 -18.661 -10.245 690 H SER 104 H SER 104 16.018 -18.799 -9.049 691 HA SER 104 HA SER 104 17.705 -20.685 -10.266 692 HB2 SER 104 HB2 SER 104 15.792 -19.166 -11.987 693 HB3 SER 104 HB3 SER 104 17.453 -19.190 -12.545 694 HG SER 104 HG SER 104 15.591 -21.152 -12.735 Start of MODEL 12 1 H MET 1 H1 MET 1 2.705 -18.245 -4.672 2 HA MET 1 HA MET 1 0.322 -17.071 -4.608 3 HB2 MET 1 HB2 MET 1 1.456 -16.481 -7.137 4 HB3 MET 1 HB3 MET 1 0.352 -17.798 -7.481 5 HG2 MET 1 HG2 MET 1 -1.445 -16.420 -7.286 6 HG3 MET 1 HG3 MET 1 -0.953 -15.927 -5.678 7 HE1 MET 1 HE1 MET 1 -1.689 -12.711 -7.839 8 HE2 MET 1 HE2 MET 1 -2.490 -14.200 -7.283 9 HE3 MET 1 HE3 MET 1 -1.684 -13.131 -6.109 10 H GLY 2 H GLY 2 -1.472 -18.604 -4.863 11 HA2 GLY 2 HA2 GLY 2 -1.031 -21.208 -5.940 12 HA3 GLY 2 HA3 GLY 2 -0.884 -21.208 -4.194 13 H LYS 3 H LYS 3 -2.767 -22.085 -3.411 14 HA LYS 3 HA LYS 3 -5.243 -20.788 -4.301 15 HB2 LYS 3 HB2 LYS 3 -4.682 -23.744 -4.012 16 HB3 LYS 3 HB3 LYS 3 -6.308 -23.096 -3.953 17 HG2 LYS 3 HG2 LYS 3 -6.313 -23.200 -6.223 18 HG3 LYS 3 HG3 LYS 3 -5.219 -21.832 -6.203 19 HD2 LYS 3 HD2 LYS 3 -3.624 -23.138 -7.144 20 HD3 LYS 3 HD3 LYS 3 -3.583 -24.097 -5.678 21 HE2 LYS 3 HE2 LYS 3 -5.833 -25.138 -6.853 22 HE3 LYS 3 HE3 LYS 3 -4.939 -24.669 -8.285 23 HZ1 LYS 3 HZ1 LYS 3 -3.780 -26.558 -7.975 24 HZ2 LYS 3 HZ2 LYS 3 -3.074 -25.888 -6.670 25 HZ3 LYS 3 HZ3 LYS 3 -4.438 -26.775 -6.492 26 H GLU 4 H GLU 4 -5.932 -19.598 -2.605 27 HA GLU 4 HA GLU 4 -5.735 -20.892 0.002 28 HB2 GLU 4 HB2 GLU 4 -4.165 -18.866 -0.452 29 HB3 GLU 4 HB3 GLU 4 -5.613 -17.881 -0.389 30 HG2 GLU 4 HG2 GLU 4 -5.045 -17.798 1.854 31 HG3 GLU 4 HG3 GLU 4 -6.030 -19.247 1.890 32 H SER 5 H SER 5 -7.380 -18.175 -1.782 33 HA SER 5 HA SER 5 -9.888 -19.246 -0.832 34 HB2 SER 5 HB2 SER 5 -8.656 -16.784 0.163 35 HB3 SER 5 HB3 SER 5 -10.198 -16.442 -0.597 36 HG SER 5 HG SER 5 -10.235 -18.702 1.073 37 H GLY 6 H GLY 6 -8.343 -16.467 -2.610 38 HA2 GLY 6 HA2 GLY 6 -8.854 -16.935 -5.140 39 HA3 GLY 6 HA3 GLY 6 -10.482 -16.573 -4.605 40 H TRP 7 H TRP 7 -11.114 -14.470 -4.782 41 HA TRP 7 HA TRP 7 -9.588 -12.465 -5.759 42 HB2 TRP 7 HB2 TRP 7 -12.049 -12.508 -4.054 43 HB3 TRP 7 HB3 TRP 7 -11.284 -10.975 -4.422 44 HD1 TRP 7 HD1 TRP 7 -10.510 -11.550 -7.507 45 HE1 TRP 7 HE1 TRP 7 -12.342 -11.664 -9.404 46 HE3 TRP 7 HE3 TRP 7 -14.412 -12.559 -4.407 47 HZ2 TRP 7 HZ2 TRP 7 -15.153 -12.152 -9.395 48 HZ3 TRP 7 HZ3 TRP 7 -16.668 -12.840 -5.432 49 HH2 TRP 7 HH2 TRP 7 -17.071 -12.652 -7.835 50 H ASP 8 H ASP 8 -10.551 -12.655 -2.252 51 HA ASP 8 HA ASP 8 -7.936 -12.450 -1.339 52 HB2 ASP 8 HB2 ASP 8 -7.995 -10.132 -0.433 53 HB3 ASP 8 HB3 ASP 8 -8.029 -10.145 -2.185 54 H SER 9 H SER 9 -7.941 -12.672 1.011 55 HA SER 9 HA SER 9 -9.959 -13.947 2.156 56 HB2 SER 9 HB2 SER 9 -9.051 -12.882 4.384 57 HB3 SER 9 HB3 SER 9 -7.995 -13.896 3.421 58 HG SER 9 HG SER 9 -8.032 -11.102 2.842 59 H GLY 10 H GLY 10 -11.703 -13.387 3.681 60 HA2 GLY 10 HA2 GLY 10 -13.171 -11.077 2.843 61 HA3 GLY 10 HA3 GLY 10 -13.631 -12.260 4.051 62 H ARG 11 H ARG 11 -13.843 -11.451 6.085 63 HA ARG 11 HA ARG 11 -13.091 -8.896 6.720 64 HB2 ARG 11 HB2 ARG 11 -14.758 -10.588 7.879 65 HB3 ARG 11 HB3 ARG 11 -13.366 -11.075 8.824 66 HG2 ARG 11 HG2 ARG 11 -13.119 -8.916 9.812 67 HG3 ARG 11 HG3 ARG 11 -14.084 -8.136 8.575 68 HD2 ARG 11 HD2 ARG 11 -16.133 -8.957 9.465 69 HD3 ARG 11 HD3 ARG 11 -15.347 -10.256 10.341 70 HE ARG 11 HE ARG 11 -15.720 -7.528 11.270 71 HH11 ARG 11 HH22 ARG 11 -13.563 -10.327 11.530 72 HH12 ARG 11 HH21 ARG 11 -12.961 -9.874 13.090 73 HH21 ARG 11 HH12 ARG 11 -14.931 -6.952 13.295 74 HH22 ARG 11 HH11 ARG 11 -13.750 -7.937 14.097 75 H ALA 12 H ALA 12 -11.490 -12.072 7.370 76 HA ALA 12 HA ALA 12 -9.529 -11.390 9.086 77 HB1 ALA 12 HB1 ALA 12 -8.165 -13.035 7.411 78 HB2 ALA 12 HB2 ALA 12 -9.419 -13.606 8.539 79 HB3 ALA 12 HB3 ALA 12 -9.824 -13.315 6.830 80 H ALA 13 H ALA 13 -9.941 -10.319 5.740 81 HA ALA 13 HA ALA 13 -7.464 -9.630 4.947 82 HB1 ALA 13 HB1 ALA 13 -10.076 -8.084 4.750 83 HB2 ALA 13 HB2 ALA 13 -8.610 -7.663 3.832 84 HB3 ALA 13 HB3 ALA 13 -9.401 -9.236 3.572 85 H VAL 14 H VAL 14 -9.614 -7.555 7.025 86 HA VAL 14 HA VAL 14 -7.929 -5.486 7.462 87 HB VAL 14 HB VAL 14 -9.183 -5.035 9.411 88 HG11 VAL 14 HG11 VAL 14 -11.174 -4.811 8.385 89 HG12 VAL 14 HG12 VAL 14 -10.378 -5.599 7.002 90 HG13 VAL 14 HG13 VAL 14 -11.354 -6.564 8.136 91 HG21 VAL 14 HG21 VAL 14 -9.795 -8.005 9.499 92 HG22 VAL 14 HG22 VAL 14 -8.886 -7.041 10.688 93 HG23 VAL 14 HG23 VAL 14 -10.637 -6.788 10.489 94 H ALA 15 H ALA 15 -7.972 -8.663 9.197 95 HA ALA 15 HA ALA 15 -6.001 -8.095 11.041 96 HB1 ALA 15 HB1 ALA 15 -6.297 -10.789 9.694 97 HB2 ALA 15 HB2 ALA 15 -5.949 -10.422 11.400 98 HB3 ALA 15 HB3 ALA 15 -7.579 -10.142 10.744 99 H ALA 16 H ALA 16 -5.737 -9.354 7.657 100 HA ALA 16 HA ALA 16 -2.955 -9.659 7.707 101 HB1 ALA 16 HB1 ALA 16 -5.165 -9.662 5.741 102 HB2 ALA 16 HB2 ALA 16 -3.591 -9.166 5.074 103 HB3 ALA 16 HB3 ALA 16 -3.757 -10.743 5.883 104 H VAL 17 H VAL 17 -5.071 -6.853 7.433 105 HA VAL 17 HA VAL 17 -3.009 -5.193 6.300 106 HB VAL 17 HB VAL 17 -5.800 -4.710 7.343 107 HG11 VAL 17 HG11 VAL 17 -3.643 -2.791 6.891 108 HG12 VAL 17 HG12 VAL 17 -5.071 -2.457 5.882 109 HG13 VAL 17 HG13 VAL 17 -5.236 -2.564 7.652 110 HG21 VAL 17 HG21 VAL 17 -6.183 -4.132 4.906 111 HG22 VAL 17 HG22 VAL 17 -4.562 -4.787 4.577 112 HG23 VAL 17 HG23 VAL 17 -5.830 -5.843 5.244 113 H VAL 18 H VAL 18 -4.079 -6.286 9.453 114 HA VAL 18 HA VAL 18 -3.104 -4.066 10.920 115 HB VAL 18 HB VAL 18 -3.796 -6.919 11.622 116 HG11 VAL 18 HG11 VAL 18 -2.611 -6.647 13.506 117 HG12 VAL 18 HG12 VAL 18 -2.366 -4.911 13.201 118 HG13 VAL 18 HG13 VAL 18 -3.859 -5.474 13.989 119 HG21 VAL 18 HG21 VAL 18 -5.859 -6.120 12.333 120 HG22 VAL 18 HG22 VAL 18 -5.268 -4.451 12.521 121 HG23 VAL 18 HG23 VAL 18 -5.544 -5.120 10.894 122 H GLY 19 H GLY 19 -1.718 -7.101 9.642 123 HA2 GLY 19 HA2 GLY 19 0.672 -7.053 11.154 124 HA3 GLY 19 HA3 GLY 19 0.379 -7.919 9.659 125 H GLY 20 H GLY 20 1.384 -4.785 11.079 126 HA2 GLY 20 HA2 GLY 20 3.462 -4.037 9.781 127 HA3 GLY 20 HA3 GLY 20 2.348 -3.911 8.434 128 H VAL 21 H VAL 21 1.995 -3.119 11.966 129 HA VAL 21 HA VAL 21 0.483 -0.825 11.476 130 HB VAL 21 HB VAL 21 2.116 -1.738 13.848 131 HG11 VAL 21 HG11 VAL 21 0.872 -0.116 15.193 132 HG12 VAL 21 HG12 VAL 21 1.809 0.707 13.923 133 HG13 VAL 21 HG13 VAL 21 0.052 0.488 13.733 134 HG21 VAL 21 HG21 VAL 21 0.206 -3.182 13.112 135 HG22 VAL 21 HG22 VAL 21 0.025 -2.517 14.754 136 HG23 VAL 21 HG23 VAL 21 -0.885 -1.805 13.400 137 H VAL 22 H VAL 22 3.926 -1.076 12.634 138 HA VAL 22 HA VAL 22 4.586 1.544 12.489 139 HB VAL 22 HB VAL 22 6.187 -0.931 11.840 140 HG11 VAL 22 HG11 VAL 22 7.138 1.200 10.823 141 HG12 VAL 22 HG12 VAL 22 7.356 1.786 12.490 142 HG13 VAL 22 HG13 VAL 22 8.202 0.318 11.945 143 HG21 VAL 22 HG21 VAL 22 7.149 -0.328 14.158 144 HG22 VAL 22 HG22 VAL 22 5.720 0.719 14.327 145 HG23 VAL 22 HG23 VAL 22 5.516 -1.033 14.087 146 H ALA 23 H ALA 23 4.707 -0.868 9.783 147 HA ALA 23 HA ALA 23 5.702 0.789 7.838 148 HB1 ALA 23 HB1 ALA 23 5.473 -1.172 6.769 149 HB2 ALA 23 HB2 ALA 23 4.395 -1.771 8.053 150 HB3 ALA 23 HB3 ALA 23 3.719 -0.888 6.663 151 H VAL 24 H VAL 24 2.293 0.355 8.961 152 HA VAL 24 HA VAL 24 1.135 2.020 7.050 153 HB VAL 24 HB VAL 24 0.292 1.390 9.887 154 HG11 VAL 24 HG11 VAL 24 -1.451 2.741 9.566 155 HG12 VAL 24 HG12 VAL 24 -0.849 3.167 7.946 156 HG13 VAL 24 HG13 VAL 24 -1.934 1.771 8.154 157 HG21 VAL 24 HG21 VAL 24 -0.382 -0.635 9.199 158 HG22 VAL 24 HG22 VAL 24 -1.091 0.016 7.702 159 HG23 VAL 24 HG23 VAL 24 0.646 -0.366 7.771 160 H GLY 25 H GLY 25 2.824 2.675 10.128 161 HA2 GLY 25 HA2 GLY 25 2.008 5.383 10.371 162 HA3 GLY 25 HA3 GLY 25 3.360 4.602 11.167 163 H THR 26 H THR 26 5.186 3.908 9.366 164 HA THR 26 HA THR 26 6.471 6.190 8.629 165 HB THR 26 HB THR 26 6.504 3.340 7.532 166 HG1 THR 26 HG1 THR 26 8.212 5.062 9.189 167 HG21 THR 26 HG21 THR 26 9.016 4.660 7.151 168 HG22 THR 26 HG22 THR 26 7.946 4.003 5.889 169 HG23 THR 26 HG23 THR 26 7.784 5.701 6.399 170 H VAL 27 H VAL 27 4.328 4.192 6.495 171 HA VAL 27 HA VAL 27 4.590 5.834 4.270 172 HB VAL 27 HB VAL 27 2.333 4.046 5.191 173 HG11 VAL 27 HG11 VAL 27 1.137 4.722 3.436 174 HG12 VAL 27 HG12 VAL 27 2.409 5.889 3.001 175 HG13 VAL 27 HG13 VAL 27 2.458 4.233 2.348 176 HG21 VAL 27 HG21 VAL 27 3.863 2.446 4.818 177 HG22 VAL 27 HG22 VAL 27 3.632 2.809 3.090 178 HG23 VAL 27 HG23 VAL 27 4.968 3.569 3.989 179 H LEU 28 H LEU 28 2.138 5.841 6.941 180 HA LEU 28 HA LEU 28 0.545 7.858 6.017 181 HB2 LEU 28 HB2 LEU 28 0.259 6.363 8.029 182 HB3 LEU 28 HB3 LEU 28 1.329 7.443 8.901 183 HG LEU 28 HG LEU 28 -0.443 9.261 8.016 184 HD11 LEU 28 HD11 LEU 28 -2.291 6.957 8.565 185 HD12 LEU 28 HD12 LEU 28 -2.619 8.518 7.773 186 HD13 LEU 28 HD13 LEU 28 -1.693 7.262 6.916 187 HD21 LEU 28 HD21 LEU 28 -0.394 7.554 10.482 188 HD22 LEU 28 HD22 LEU 28 0.006 9.276 10.276 189 HD23 LEU 28 HD23 LEU 28 -1.694 8.748 10.253 190 H VAL 29 H VAL 29 3.284 8.294 8.374 191 HA VAL 29 HA VAL 29 3.295 11.042 8.293 192 HB VAL 29 HB VAL 29 4.466 9.645 9.922 193 HG11 VAL 29 HG11 VAL 29 5.366 7.860 8.656 194 HG12 VAL 29 HG12 VAL 29 6.235 8.963 7.563 195 HG13 VAL 29 HG13 VAL 29 6.773 8.774 9.249 196 HG21 VAL 29 HG21 VAL 29 5.236 12.089 8.990 197 HG22 VAL 29 HG22 VAL 29 5.949 11.279 10.406 198 HG23 VAL 29 HG23 VAL 29 6.750 11.169 8.820 199 H ALA 30 H ALA 30 4.445 8.674 5.932 200 HA ALA 30 HA ALA 30 6.251 10.278 4.551 201 HB1 ALA 30 HB1 ALA 30 6.342 8.486 3.152 202 HB2 ALA 30 HB2 ALA 30 5.347 7.698 4.400 203 HB3 ALA 30 HB3 ALA 30 4.574 8.414 2.965 204 H LEU 31 H LEU 31 2.849 9.484 3.535 205 HA LEU 31 HA LEU 31 2.743 11.581 1.690 206 HB2 LEU 31 HB2 LEU 31 0.302 11.115 1.710 207 HB3 LEU 31 HB3 LEU 31 1.327 9.728 1.399 208 HG LEU 31 HG LEU 31 0.990 9.559 4.120 209 HD11 LEU 31 HD11 LEU 31 -1.362 10.984 2.956 210 HD12 LEU 31 HD12 LEU 31 -1.653 9.717 4.172 211 HD13 LEU 31 HD13 LEU 31 -0.621 11.112 4.570 212 HD21 LEU 31 HD21 LEU 31 0.802 7.584 2.979 213 HD22 LEU 31 HD22 LEU 31 -0.906 7.881 3.384 214 HD23 LEU 31 HD23 LEU 31 -0.299 8.261 1.755 215 H SER 32 H SER 32 1.272 11.274 5.000 216 HA SER 32 HA SER 32 0.144 13.706 5.150 217 HB2 SER 32 HB2 SER 32 -0.057 11.990 6.901 218 HB3 SER 32 HB3 SER 32 1.629 12.185 7.337 219 HG SER 32 HG SER 32 -0.408 14.238 7.545 220 H ALA 33 H ALA 33 3.325 13.056 6.791 221 HA ALA 33 HA ALA 33 3.995 15.847 6.551 222 HB1 ALA 33 HB1 ALA 33 4.496 13.851 8.396 223 HB2 ALA 33 HB2 ALA 33 6.047 13.968 7.531 224 HB3 ALA 33 HB3 ALA 33 5.352 15.409 8.310 225 H MET 34 H MET 34 3.689 15.165 4.004 226 HA MET 34 HA MET 34 5.818 13.863 2.803 227 HB2 MET 34 HB2 MET 34 3.392 15.105 2.043 228 HB3 MET 34 HB3 MET 34 4.607 16.056 1.212 229 HG2 MET 34 HG2 MET 34 4.780 13.032 1.104 230 HG3 MET 34 HG3 MET 34 3.620 13.856 0.081 231 HE1 MET 34 HE1 MET 34 4.157 13.830 -2.087 232 HE2 MET 34 HE2 MET 34 5.734 14.059 -2.880 233 HE3 MET 34 HE3 MET 34 5.403 12.564 -1.974 234 H GLY 35 H GLY 35 5.328 17.268 3.796 235 HA2 GLY 35 HA2 GLY 35 8.172 17.761 3.275 236 HA3 GLY 35 HA3 GLY 35 6.992 18.819 2.527 237 H PHE 36 H PHE 36 7.481 17.281 5.795 238 HA PHE 36 HA PHE 36 7.112 18.088 7.830 239 HB2 PHE 36 HB2 PHE 36 8.748 20.126 6.281 240 HB3 PHE 36 HB3 PHE 36 8.242 20.579 7.897 241 HD1 PHE 36 HD2 PHE 36 9.034 19.276 9.851 242 HD2 PHE 36 HD1 PHE 36 10.471 18.503 5.934 243 HE1 PHE 36 HE2 PHE 36 10.979 18.015 10.814 244 HE2 PHE 36 HE1 PHE 36 12.416 17.241 6.897 245 HZ PHE 36 HZ PHE 36 12.647 17.012 9.325 246 H THR 37 H THR 37 4.736 18.302 6.520 247 HA THR 37 HA THR 37 3.634 20.694 7.722 248 HB THR 37 HB THR 37 4.251 21.521 5.487 249 HG1 THR 37 HG1 THR 37 2.163 22.285 5.295 250 HG21 THR 37 HG21 THR 37 2.376 19.655 4.092 251 HG22 THR 37 HG22 THR 37 3.900 20.369 3.510 252 HG23 THR 37 HG23 THR 37 3.934 18.939 4.570 253 H SER 38 H SER 38 1.845 20.159 8.800 254 HA SER 38 HA SER 38 -0.294 18.907 7.922 255 HB2 SER 38 HB2 SER 38 1.846 16.892 8.417 256 HB3 SER 38 HB3 SER 38 0.292 16.504 9.127 257 HG SER 38 HG SER 38 1.035 16.720 6.392 258 H VAL 39 H VAL 39 2.097 19.328 10.483 259 HA VAL 39 HA VAL 39 0.581 18.569 12.685 260 HB VAL 39 HB VAL 39 2.746 20.648 12.334 261 HG11 VAL 39 HG11 VAL 39 1.158 20.802 14.420 262 HG12 VAL 39 HG12 VAL 39 2.086 19.391 14.984 263 HG13 VAL 39 HG13 VAL 39 2.922 20.922 14.626 264 HG21 VAL 39 HG21 VAL 39 2.710 17.702 12.907 265 HG22 VAL 39 HG22 VAL 39 3.778 18.645 11.840 266 HG23 VAL 39 HG23 VAL 39 4.002 18.708 13.605 267 H GLY 40 H GLY 40 1.396 22.022 12.482 268 HA2 GLY 40 HA2 GLY 40 -0.756 23.053 13.699 269 HA3 GLY 40 HA3 GLY 40 0.087 23.872 12.400 270 H ILE 41 H ILE 41 -0.533 22.415 10.124 271 HA ILE 41 HA ILE 41 -2.976 23.379 9.393 272 HB ILE 41 HB ILE 41 -1.368 21.052 8.355 273 HG12 ILE 41 HG12 ILE 41 -1.231 22.992 6.474 274 HG13 ILE 41 HG13 ILE 41 -1.415 23.988 7.904 275 HG21 ILE 41 HG21 ILE 41 -3.773 20.791 7.775 276 HG22 ILE 41 HG22 ILE 41 -3.716 22.382 6.980 277 HG23 ILE 41 HG23 ILE 41 -2.717 21.044 6.365 278 HD11 ILE 41 HD11 ILE 41 0.664 23.459 8.699 279 HD12 ILE 41 HD12 ILE 41 0.504 21.746 8.244 280 HD13 ILE 41 HD13 ILE 41 0.982 22.950 7.024 281 H ALA 42 H ALA 42 -2.186 20.034 10.556 282 HA ALA 42 HA ALA 42 -4.772 19.047 10.404 283 HB1 ALA 42 HB1 ALA 42 -3.886 17.440 12.189 284 HB2 ALA 42 HB2 ALA 42 -2.936 17.549 10.688 285 HB3 ALA 42 HB3 ALA 42 -2.381 18.389 12.156 286 H ALA 43 H ALA 43 -3.127 21.064 12.859 287 HA ALA 43 HA ALA 43 -5.089 20.750 14.855 288 HB1 ALA 43 HB1 ALA 43 -2.581 21.837 14.685 289 HB2 ALA 43 HB2 ALA 43 -3.587 23.304 14.727 290 HB3 ALA 43 HB3 ALA 43 -3.703 22.108 16.040 291 H SER 44 H SER 44 -4.791 22.765 11.942 292 HA SER 44 HA SER 44 -6.798 24.580 12.736 293 HB2 SER 44 HB2 SER 44 -5.767 23.938 9.938 294 HB3 SER 44 HB3 SER 44 -6.682 25.363 10.389 295 HG SER 44 HG SER 44 -4.371 24.914 11.942 296 H SER 45 H SER 45 -6.646 21.584 10.734 297 HA SER 45 HA SER 45 -9.224 21.733 9.751 298 HB2 SER 45 HB2 SER 45 -7.248 19.492 10.208 299 HB3 SER 45 HB3 SER 45 -8.878 19.097 9.701 300 HG SER 45 HG SER 45 -6.944 19.700 8.082 301 H ILE 46 H ILE 46 -7.879 19.934 12.613 302 HA ILE 46 HA ILE 46 -10.384 18.989 13.467 303 HB ILE 46 HB ILE 46 -9.224 18.362 15.489 304 HG12 ILE 46 HG12 ILE 46 -6.552 19.147 15.038 305 HG13 ILE 46 HG13 ILE 46 -7.512 20.596 14.815 306 HG21 ILE 46 HG21 ILE 46 -7.114 17.813 13.475 307 HG22 ILE 46 HG22 ILE 46 -8.035 16.702 14.517 308 HG23 ILE 46 HG23 ILE 46 -8.777 17.355 13.037 309 HD11 ILE 46 HD11 ILE 46 -6.952 20.443 17.169 310 HD12 ILE 46 HD12 ILE 46 -8.686 20.076 17.012 311 HD13 ILE 46 HD13 ILE 46 -7.515 18.756 17.247 312 H ALA 47 H ALA 47 -8.563 22.009 13.984 313 HA ALA 47 HA ALA 47 -9.991 22.935 16.193 314 HB1 ALA 47 HB1 ALA 47 -9.256 25.219 15.059 315 HB2 ALA 47 HB2 ALA 47 -8.045 24.117 15.756 316 HB3 ALA 47 HB3 ALA 47 -8.323 24.137 13.998 317 H ALA 48 H ALA 48 -10.546 23.274 12.634 318 HA ALA 48 HA ALA 48 -12.845 24.892 12.955 319 HB1 ALA 48 HB1 ALA 48 -12.099 25.171 10.831 320 HB2 ALA 48 HB2 ALA 48 -11.324 23.570 10.791 321 HB3 ALA 48 HB3 ALA 48 -13.069 23.722 10.474 322 H LYS 49 H LYS 49 -12.439 21.413 11.961 323 HA LYS 49 HA LYS 49 -13.686 19.635 12.409 324 HB2 LYS 49 HB2 LYS 49 -14.061 21.114 14.674 325 HB3 LYS 49 HB3 LYS 49 -15.712 20.956 14.113 326 HG2 LYS 49 HG2 LYS 49 -15.744 18.860 14.975 327 HG3 LYS 49 HG3 LYS 49 -14.596 18.383 13.739 328 HD2 LYS 49 HD2 LYS 49 -13.096 19.757 15.761 329 HD3 LYS 49 HD3 LYS 49 -14.173 18.658 16.599 330 HE2 LYS 49 HE2 LYS 49 -13.382 16.796 15.063 331 HE3 LYS 49 HE3 LYS 49 -12.225 17.913 14.366 332 HZ1 LYS 49 HZ1 LYS 49 -11.423 16.471 16.293 333 HZ2 LYS 49 HZ2 LYS 49 -11.072 18.057 16.407 334 HZ3 LYS 49 HZ3 LYS 49 -12.336 17.440 17.244 335 H MET 50 H MET 50 -16.254 22.179 12.655 336 HA MET 50 HA MET 50 -17.786 20.817 10.720 337 HB2 MET 50 HB2 MET 50 -19.364 22.709 11.066 338 HB3 MET 50 HB3 MET 50 -18.741 22.173 12.614 339 HG2 MET 50 HG2 MET 50 -17.965 24.266 13.025 340 HG3 MET 50 HG3 MET 50 -16.900 24.146 11.638 341 HE1 MET 50 HE1 MET 50 -19.911 25.469 13.249 342 HE2 MET 50 HE2 MET 50 -18.852 26.847 12.864 343 HE3 MET 50 HE3 MET 50 -20.475 26.744 12.142 344 H MET 51 H MET 51 -15.708 20.968 9.191 345 HA MET 51 HA MET 51 -15.630 23.501 7.822 346 HB2 MET 51 HB2 MET 51 -13.742 21.527 8.407 347 HB3 MET 51 HB3 MET 51 -14.112 21.165 6.733 348 HG2 MET 51 HG2 MET 51 -13.641 23.556 6.121 349 HG3 MET 51 HG3 MET 51 -13.249 23.901 7.794 350 HE1 MET 51 HE1 MET 51 -12.289 23.056 4.550 351 HE2 MET 51 HE2 MET 51 -10.607 22.476 4.590 352 HE3 MET 51 HE3 MET 51 -11.950 21.320 4.753 353 H SER 52 H SER 52 -15.546 23.380 5.296 354 HA SER 52 HA SER 52 -17.927 22.836 4.303 355 HB2 SER 52 HB2 SER 52 -16.991 23.065 2.156 356 HB3 SER 52 HB3 SER 52 -15.806 23.851 3.180 357 HG SER 52 HG SER 52 -14.375 22.213 2.889 358 H THR 53 H THR 53 -19.108 21.076 3.455 359 HA THR 53 HA THR 53 -18.586 18.547 4.468 360 HB THR 53 HB THR 53 -20.815 19.383 3.750 361 HG1 THR 53 HG1 THR 53 -21.319 17.343 2.770 362 HG21 THR 53 HG21 THR 53 -19.673 20.403 1.514 363 HG22 THR 53 HG22 THR 53 -20.119 18.803 0.873 364 HG23 THR 53 HG23 THR 53 -21.374 19.879 1.533 365 H ALA 54 H ALA 54 -16.864 17.296 4.107 366 HA ALA 54 HA ALA 54 -15.154 16.345 3.051 367 HB1 ALA 54 HB1 ALA 54 -17.486 15.428 2.007 368 HB2 ALA 54 HB2 ALA 54 -16.704 16.030 0.525 369 HB3 ALA 54 HB3 ALA 54 -15.889 14.806 1.528 370 H ALA 55 H ALA 55 -13.708 18.120 2.934 371 HA ALA 55 HA ALA 55 -13.895 20.014 0.824 372 HB1 ALA 55 HB1 ALA 55 -12.674 21.033 2.423 373 HB2 ALA 55 HB2 ALA 55 -12.265 19.485 3.202 374 HB3 ALA 55 HB3 ALA 55 -11.293 20.078 1.833 375 H ILE 56 H ILE 56 -14.199 17.949 -0.709 376 HA ILE 56 HA ILE 56 -11.531 17.440 -1.822 377 HB ILE 56 HB ILE 56 -13.823 15.490 -1.568 378 HG12 ILE 56 HG12 ILE 56 -12.408 15.969 0.488 379 HG13 ILE 56 HG13 ILE 56 -12.521 14.296 -0.020 380 HG21 ILE 56 HG21 ILE 56 -11.200 15.315 -3.059 381 HG22 ILE 56 HG22 ILE 56 -12.132 13.881 -2.565 382 HG23 ILE 56 HG23 ILE 56 -12.851 15.069 -3.678 383 HD11 ILE 56 HD11 ILE 56 -10.170 15.121 0.579 384 HD12 ILE 56 HD12 ILE 56 -10.324 14.334 -1.010 385 HD13 ILE 56 HD13 ILE 56 -10.236 16.109 -0.901 386 H ALA 57 H ALA 57 -15.074 17.125 -2.593 387 HA ALA 57 HA ALA 57 -16.250 17.800 -4.342 388 HB1 ALA 57 HB1 ALA 57 -14.463 19.664 -5.631 389 HB2 ALA 57 HB2 ALA 57 -15.940 19.995 -4.694 390 HB3 ALA 57 HB3 ALA 57 -14.368 19.883 -3.867 391 H ASN 58 H ASN 58 -15.313 15.418 -4.789 392 HA ASN 58 HA ASN 58 -15.044 15.250 -7.508 393 HB2 ASN 58 HB2 ASN 58 -12.631 16.099 -6.651 394 HB3 ASN 58 HB3 ASN 58 -12.408 14.401 -6.280 395 HD21 ASN 58 HD21 ASN 58 -10.875 14.031 -7.808 396 HD22 ASN 58 HD22 ASN 58 -11.173 14.017 -9.515 397 H GLY 59 H GLY 59 -15.520 13.066 -8.054 398 HA2 GLY 59 HA2 GLY 59 -16.067 10.909 -7.745 399 HA3 GLY 59 HA3 GLY 59 -14.681 10.802 -6.678 400 H GLY 60 H GLY 60 -14.938 11.032 -4.383 401 HA2 GLY 60 HA2 GLY 60 -16.649 11.861 -2.702 402 HA3 GLY 60 HA3 GLY 60 -17.744 10.755 -3.506 403 H GLY 61 H GLY 61 -14.794 11.027 -1.510 404 HA2 GLY 61 HA2 GLY 61 -15.017 9.175 0.275 405 HA3 GLY 61 HA3 GLY 61 -14.779 8.114 -1.099 406 H VAL 62 H VAL 62 -12.837 7.547 0.403 407 HA VAL 62 HA VAL 62 -10.731 9.361 0.691 408 HB VAL 62 HB VAL 62 -10.818 6.340 0.622 409 HG11 VAL 62 HG11 VAL 62 -8.604 6.239 0.908 410 HG12 VAL 62 HG12 VAL 62 -8.540 7.960 0.456 411 HG13 VAL 62 HG13 VAL 62 -8.644 7.493 2.171 412 HG21 VAL 62 HG21 VAL 62 -10.641 8.182 3.022 413 HG22 VAL 62 HG22 VAL 62 -12.178 7.559 2.377 414 HG23 VAL 62 HG23 VAL 62 -10.953 6.430 3.001 415 H ALA 63 H ALA 63 -11.001 6.543 -1.599 416 HA ALA 63 HA ALA 63 -8.867 7.575 -3.188 417 HB1 ALA 63 HB1 ALA 63 -8.925 5.273 -3.275 418 HB2 ALA 63 HB2 ALA 63 -10.701 5.204 -3.181 419 HB3 ALA 63 HB3 ALA 63 -9.907 5.635 -4.715 420 H ALA 64 H ALA 64 -9.570 9.715 -3.767 421 HA ALA 64 HA ALA 64 -11.193 9.709 -6.130 422 HB1 ALA 64 HB1 ALA 64 -13.120 10.522 -5.297 423 HB2 ALA 64 HB2 ALA 64 -12.506 10.100 -3.681 424 HB3 ALA 64 HB3 ALA 64 -12.261 11.741 -4.326 425 H GLY 65 H GLY 65 -9.577 11.602 -3.505 426 HA2 GLY 65 HA2 GLY 65 -8.982 13.812 -5.234 427 HA3 GLY 65 HA3 GLY 65 -8.407 13.540 -3.601 428 H SER 66 H SER 66 -6.467 14.538 -5.042 429 HA SER 66 HA SER 66 -5.101 13.129 -6.851 430 HB2 SER 66 HB2 SER 66 -4.618 15.377 -5.346 431 HB3 SER 66 HB3 SER 66 -3.398 14.298 -4.699 432 HG SER 66 HG SER 66 -2.871 15.673 -6.688 433 H LEU 67 H LEU 67 -5.481 12.423 -3.397 434 HA LEU 67 HA LEU 67 -3.309 10.798 -2.947 435 HB2 LEU 67 HB2 LEU 67 -6.130 10.599 -1.886 436 HB3 LEU 67 HB3 LEU 67 -4.758 9.724 -1.236 437 HG LEU 67 HG LEU 67 -4.211 12.581 -1.390 438 HD11 LEU 67 HD11 LEU 67 -6.292 12.020 0.668 439 HD12 LEU 67 HD12 LEU 67 -5.871 13.536 -0.165 440 HD13 LEU 67 HD13 LEU 67 -6.832 12.296 -1.006 441 HD21 LEU 67 HD21 LEU 67 -2.959 12.070 0.375 442 HD22 LEU 67 HD22 LEU 67 -4.356 11.423 1.269 443 HD23 LEU 67 HD23 LEU 67 -3.458 10.377 0.143 444 H VAL 68 H VAL 68 -6.590 9.870 -4.198 445 HA VAL 68 HA VAL 68 -6.247 7.216 -4.499 446 HB VAL 68 HB VAL 68 -8.225 8.718 -5.042 447 HG11 VAL 68 HG11 VAL 68 -8.406 9.846 -7.007 448 HG12 VAL 68 HG12 VAL 68 -6.629 9.856 -6.899 449 HG13 VAL 68 HG13 VAL 68 -7.452 8.646 -7.913 450 HG21 VAL 68 HG21 VAL 68 -9.257 7.059 -6.399 451 HG22 VAL 68 HG22 VAL 68 -7.699 6.557 -7.099 452 HG23 VAL 68 HG23 VAL 68 -8.062 6.208 -5.391 453 H ALA 69 H ALA 69 -4.748 9.834 -6.402 454 HA ALA 69 HA ALA 69 -3.876 8.333 -8.564 455 HB1 ALA 69 HB1 ALA 69 -2.526 10.195 -9.042 456 HB2 ALA 69 HB2 ALA 69 -3.839 10.896 -8.067 457 HB3 ALA 69 HB3 ALA 69 -2.257 10.564 -7.322 458 H ILE 70 H ILE 70 -2.148 9.142 -5.467 459 HA ILE 70 HA ILE 70 0.019 7.427 -6.088 460 HB ILE 70 HB ILE 70 -0.880 8.781 -3.547 461 HG12 ILE 70 HG12 ILE 70 1.606 9.562 -4.963 462 HG13 ILE 70 HG13 ILE 70 0.111 9.924 -5.803 463 HG21 ILE 70 HG21 ILE 70 1.157 8.170 -2.507 464 HG22 ILE 70 HG22 ILE 70 0.465 6.671 -3.172 465 HG23 ILE 70 HG23 ILE 70 1.809 7.481 -4.012 466 HD11 ILE 70 HD11 ILE 70 -0.248 10.610 -3.022 467 HD12 ILE 70 HD12 ILE 70 1.276 11.330 -3.593 468 HD13 ILE 70 HD13 ILE 70 -0.249 11.690 -4.437 469 H LEU 71 H LEU 71 -3.188 6.994 -4.728 470 HA LEU 71 HA LEU 71 -2.747 4.743 -3.171 471 HB2 LEU 71 HB2 LEU 71 -4.818 6.258 -3.492 472 HB3 LEU 71 HB3 LEU 71 -5.225 5.180 -4.812 473 HG LEU 71 HG LEU 71 -4.600 3.905 -2.193 474 HD11 LEU 71 HD11 LEU 71 -7.074 4.284 -1.565 475 HD12 LEU 71 HD12 LEU 71 -5.902 5.585 -1.244 476 HD13 LEU 71 HD13 LEU 71 -6.981 5.688 -2.656 477 HD21 LEU 71 HD21 LEU 71 -7.032 3.219 -3.724 478 HD22 LEU 71 HD22 LEU 71 -5.490 2.970 -4.577 479 HD23 LEU 71 HD23 LEU 71 -5.780 2.174 -3.011 480 H GLN 72 H GLN 72 -3.944 4.864 -6.606 481 HA GLN 72 HA GLN 72 -3.625 2.128 -6.958 482 HB2 GLN 72 HB2 GLN 72 -3.917 2.649 -9.383 483 HB3 GLN 72 HB3 GLN 72 -5.114 3.442 -8.379 484 HG2 GLN 72 HG2 GLN 72 -4.455 5.234 -9.716 485 HG3 GLN 72 HG3 GLN 72 -3.363 5.446 -8.363 486 HE21 GLN 72 HE21 GLN 72 -2.612 6.588 -10.595 487 HE22 GLN 72 HE22 GLN 72 -1.323 5.753 -11.396 488 H SER 73 H SER 73 -1.516 4.952 -7.764 489 HA SER 73 HA SER 73 0.392 3.632 -9.177 490 HB2 SER 73 HB2 SER 73 0.075 6.184 -7.939 491 HB3 SER 73 HB3 SER 73 1.636 5.582 -7.417 492 HG SER 73 HG SER 73 1.591 5.004 -9.994 493 H VAL 74 H VAL 74 0.824 4.610 -5.696 494 HA VAL 74 HA VAL 74 2.940 2.894 -5.221 495 HB VAL 74 HB VAL 74 0.871 4.148 -3.416 496 HG11 VAL 74 HG11 VAL 74 2.987 3.677 -1.769 497 HG12 VAL 74 HG12 VAL 74 1.551 2.631 -1.882 498 HG13 VAL 74 HG13 VAL 74 3.027 2.218 -2.787 499 HG21 VAL 74 HG21 VAL 74 3.787 4.878 -3.804 500 HG22 VAL 74 HG22 VAL 74 2.461 5.608 -4.740 501 HG23 VAL 74 HG23 VAL 74 2.521 5.813 -2.973 502 H GLY 75 H GLY 75 -0.517 2.292 -5.471 503 HA2 GLY 75 HA2 GLY 75 -0.763 -0.012 -3.919 504 HA3 GLY 75 HA3 GLY 75 -1.732 0.410 -5.317 505 H ALA 76 H ALA 76 -0.589 0.057 -7.547 506 HA ALA 76 HA ALA 76 0.206 -2.664 -7.627 507 HB1 ALA 76 HB1 ALA 76 0.292 -0.535 -9.802 508 HB2 ALA 76 HB2 ALA 76 0.272 -2.300 -10.033 509 HB3 ALA 76 HB3 ALA 76 -1.155 -1.474 -9.363 510 H ALA 77 H ALA 77 1.889 0.477 -8.345 511 HA ALA 77 HA ALA 77 4.341 -0.521 -9.001 512 HB1 ALA 77 HB1 ALA 77 4.114 1.914 -7.243 513 HB2 ALA 77 HB2 ALA 77 5.089 1.662 -8.710 514 HB3 ALA 77 HB3 ALA 77 3.333 1.918 -8.842 515 H GLY 78 H GLY 78 3.083 0.285 -5.693 516 HA2 GLY 78 HA2 GLY 78 5.390 -0.471 -4.292 517 HA3 GLY 78 HA3 GLY 78 3.763 -0.364 -3.652 518 H LEU 79 H LEU 79 2.234 -2.259 -4.248 519 HA LEU 79 HA LEU 79 3.067 -4.568 -3.197 520 HB2 LEU 79 HB2 LEU 79 0.758 -3.795 -4.021 521 HB3 LEU 79 HB3 LEU 79 1.190 -4.541 -5.547 522 HG LEU 79 HG LEU 79 1.751 -6.528 -3.680 523 HD11 LEU 79 HD11 LEU 79 -0.707 -6.549 -2.630 524 HD12 LEU 79 HD12 LEU 79 0.689 -5.814 -1.806 525 HD13 LEU 79 HD13 LEU 79 -0.456 -4.788 -2.703 526 HD21 LEU 79 HD21 LEU 79 0.790 -6.888 -5.877 527 HD22 LEU 79 HD22 LEU 79 -0.229 -7.647 -4.631 528 HD23 LEU 79 HD23 LEU 79 -0.728 -6.108 -5.372 529 H SER 80 H SER 80 3.709 -3.393 -6.500 530 HA SER 80 HA SER 80 4.579 -5.828 -7.519 531 HB2 SER 80 HB2 SER 80 4.812 -2.941 -8.268 532 HB3 SER 80 HB3 SER 80 6.002 -4.011 -8.982 533 HG SER 80 HG SER 80 3.502 -5.160 -9.125 534 H VAL 81 H VAL 81 6.741 -2.964 -6.975 535 HA VAL 81 HA VAL 81 9.097 -4.258 -6.882 536 HB VAL 81 HB VAL 81 8.137 -1.886 -5.276 537 HG11 VAL 81 HG11 VAL 81 10.069 -2.589 -4.114 538 HG12 VAL 81 HG12 VAL 81 10.920 -3.022 -5.616 539 HG13 VAL 81 HG13 VAL 81 10.632 -1.311 -5.218 540 HG21 VAL 81 HG21 VAL 81 8.330 -0.722 -7.169 541 HG22 VAL 81 HG22 VAL 81 9.994 -1.307 -7.411 542 HG23 VAL 81 HG23 VAL 81 8.619 -2.249 -8.035 543 H THR 82 H THR 82 6.529 -4.286 -4.444 544 HA THR 82 HA THR 82 8.096 -5.199 -2.285 545 HB THR 82 HB THR 82 5.123 -5.411 -2.990 546 HG1 THR 82 HG1 THR 82 6.065 -3.263 -2.674 547 HG21 THR 82 HG21 THR 82 5.213 -6.931 -1.201 548 HG22 THR 82 HG22 THR 82 6.710 -6.223 -0.547 549 HG23 THR 82 HG23 THR 82 5.151 -5.399 -0.298 550 H SER 83 H SER 83 5.541 -7.241 -3.774 551 HA SER 83 HA SER 83 6.542 -9.586 -3.003 552 HB2 SER 83 HB2 SER 83 5.281 -10.612 -4.853 553 HB3 SER 83 HB3 SER 83 4.370 -9.290 -4.152 554 HG SER 83 HG SER 83 5.977 -9.134 -6.559 555 H LYS 84 H LYS 84 7.490 -7.683 -5.917 556 HA LYS 84 HA LYS 84 9.040 -9.519 -7.213 557 HB2 LYS 84 HB2 LYS 84 8.394 -7.002 -7.702 558 HB3 LYS 84 HB3 LYS 84 9.965 -6.674 -7.000 559 HG2 LYS 84 HG2 LYS 84 10.963 -8.384 -8.607 560 HG3 LYS 84 HG3 LYS 84 9.391 -8.509 -9.372 561 HD2 LYS 84 HD2 LYS 84 9.468 -5.980 -9.750 562 HD3 LYS 84 HD3 LYS 84 11.121 -6.002 -9.168 563 HE2 LYS 84 HE2 LYS 84 10.304 -7.891 -11.395 564 HE3 LYS 84 HE3 LYS 84 10.627 -6.209 -11.769 565 HZ1 LYS 84 HZ1 LYS 84 12.496 -8.275 -10.993 566 HZ2 LYS 84 HZ2 LYS 84 12.761 -6.929 -11.870 567 HZ3 LYS 84 HZ3 LYS 84 12.697 -6.838 -10.238 568 H VAL 85 H VAL 85 10.188 -7.139 -4.711 569 HA VAL 85 HA VAL 85 12.752 -8.210 -4.542 570 HB VAL 85 HB VAL 85 12.951 -6.900 -2.544 571 HG11 VAL 85 HG11 VAL 85 11.681 -5.838 -4.969 572 HG12 VAL 85 HG12 VAL 85 11.461 -4.800 -3.540 573 HG13 VAL 85 HG13 VAL 85 13.099 -5.255 -4.066 574 HG21 VAL 85 HG21 VAL 85 10.113 -6.044 -2.437 575 HG22 VAL 85 HG22 VAL 85 10.446 -7.703 -1.886 576 HG23 VAL 85 HG23 VAL 85 11.281 -6.328 -1.124 577 H ILE 86 H ILE 86 9.647 -9.280 -3.261 578 HA ILE 86 HA ILE 86 10.803 -10.936 -1.235 579 HB ILE 86 HB ILE 86 8.030 -10.763 -2.416 580 HG12 ILE 86 HG12 ILE 86 9.306 -9.602 0.069 581 HG13 ILE 86 HG13 ILE 86 8.577 -8.740 -1.271 582 HG21 ILE 86 HG21 ILE 86 8.611 -13.022 -1.471 583 HG22 ILE 86 HG22 ILE 86 8.844 -12.225 0.104 584 HG23 ILE 86 HG23 ILE 86 7.248 -12.191 -0.683 585 HD11 ILE 86 HD11 ILE 86 6.975 -8.752 0.548 586 HD12 ILE 86 HD12 ILE 86 6.365 -9.862 -0.701 587 HD13 ILE 86 HD13 ILE 86 7.149 -10.511 0.759 588 H GLY 87 H GLY 87 10.015 -11.179 -4.676 589 HA2 GLY 87 HA2 GLY 87 10.456 -12.789 -6.182 590 HA3 GLY 87 HA3 GLY 87 11.546 -13.513 -5.016 591 H GLY 88 H GLY 88 7.945 -13.007 -5.264 592 HA2 GLY 88 HA2 GLY 88 6.263 -14.392 -4.618 593 HA3 GLY 88 HA3 GLY 88 7.037 -15.462 -5.769 594 H PHE 89 H PHE 89 7.424 -14.360 -2.323 595 HA PHE 89 HA PHE 89 7.709 -17.169 -1.591 596 HB2 PHE 89 HB2 PHE 89 9.784 -15.149 -1.714 597 HB3 PHE 89 HB3 PHE 89 9.439 -15.400 -0.015 598 HD1 PHE 89 HD2 PHE 89 9.612 -17.722 -2.941 599 HD2 PHE 89 HD1 PHE 89 11.053 -16.740 0.927 600 HE1 PHE 89 HE2 PHE 89 11.047 -19.781 -2.953 601 HE2 PHE 89 HE1 PHE 89 12.489 -18.799 0.915 602 HZ PHE 89 HZ PHE 89 12.468 -20.295 -1.025 603 H ALA 90 H ALA 90 7.312 -17.564 0.736 604 HA ALA 90 HA ALA 90 6.621 -15.658 2.574 605 HB1 ALA 90 HB1 ALA 90 4.732 -14.770 1.688 606 HB2 ALA 90 HB2 ALA 90 4.536 -16.106 0.529 607 HB3 ALA 90 HB3 ALA 90 3.963 -16.290 2.204 608 H GLY 91 H GLY 91 7.779 -17.317 3.730 609 HA2 GLY 91 HA2 GLY 91 6.247 -19.047 5.219 610 HA3 GLY 91 HA3 GLY 91 6.793 -19.995 3.849 611 H THR 92 H THR 92 8.925 -20.726 3.745 612 HA THR 92 HA THR 92 10.401 -21.010 6.009 613 HB THR 92 HB THR 92 11.110 -20.938 3.043 614 HG1 THR 92 HG1 THR 92 10.447 -23.025 3.382 615 HG21 THR 92 HG21 THR 92 12.883 -22.286 5.077 616 HG22 THR 92 HG22 THR 92 13.297 -21.655 3.465 617 HG23 THR 92 HG23 THR 92 13.100 -20.536 4.835 618 H ALA 93 H ALA 93 10.685 -18.342 3.589 619 HA ALA 93 HA ALA 93 12.132 -16.861 5.673 620 HB1 ALA 93 HB1 ALA 93 13.808 -17.480 4.093 621 HB2 ALA 93 HB2 ALA 93 12.739 -17.137 2.711 622 HB3 ALA 93 HB3 ALA 93 13.374 -15.799 3.698 623 H LEU 94 H LEU 94 11.570 -14.664 5.879 624 HA LEU 94 HA LEU 94 9.767 -13.511 3.957 625 HB2 LEU 94 HB2 LEU 94 8.296 -14.898 5.392 626 HB3 LEU 94 HB3 LEU 94 8.831 -13.987 6.790 627 HG LEU 94 HG LEU 94 7.892 -12.159 4.769 628 HD11 LEU 94 HD11 LEU 94 6.624 -14.255 4.072 629 HD12 LEU 94 HD12 LEU 94 5.762 -14.121 5.623 630 HD13 LEU 94 HD13 LEU 94 5.654 -12.805 4.429 631 HD21 LEU 94 HD21 LEU 94 7.071 -11.095 6.560 632 HD22 LEU 94 HD22 LEU 94 6.252 -12.550 7.178 633 HD23 LEU 94 HD23 LEU 94 7.984 -12.300 7.499 634 H GLY 95 H GLY 95 11.295 -13.324 7.231 635 HA2 GLY 95 HA2 GLY 95 11.513 -10.423 6.974 636 HA3 GLY 95 HA3 GLY 95 11.889 -11.404 8.377 637 H ALA 96 H ALA 96 14.013 -10.802 8.798 638 HA ALA 96 HA ALA 96 16.204 -10.631 8.546 639 HB1 ALA 96 HB1 ALA 96 15.775 -13.110 8.029 640 HB2 ALA 96 HB2 ALA 96 15.985 -12.677 6.315 641 HB3 ALA 96 HB3 ALA 96 17.322 -12.434 7.465 642 H TRP 97 H TRP 97 18.055 -10.313 6.713 643 HA TRP 97 HA TRP 97 17.257 -7.989 5.326 644 HB2 TRP 97 HB2 TRP 97 19.520 -8.450 6.272 645 HB3 TRP 97 HB3 TRP 97 19.780 -9.619 4.993 646 HD1 TRP 97 HD1 TRP 97 18.623 -5.868 4.982 647 HE1 TRP 97 HE1 TRP 97 19.906 -4.522 3.110 648 HE3 TRP 97 HE3 TRP 97 21.363 -9.804 3.292 649 HZ2 TRP 97 HZ2 TRP 97 21.878 -5.238 1.175 650 HZ3 TRP 97 HZ3 TRP 97 22.943 -9.396 1.409 651 HH2 TRP 97 HH2 TRP 97 23.224 -7.207 0.357 652 H LEU 98 H LEU 98 15.888 -8.077 3.588 653 HA LEU 98 HA LEU 98 15.467 -10.380 2.076 654 HB2 LEU 98 HB2 LEU 98 14.459 -7.723 2.261 655 HB3 LEU 98 HB3 LEU 98 14.806 -8.048 0.575 656 HG LEU 98 HG LEU 98 13.392 -10.260 1.877 657 HD11 LEU 98 HD11 LEU 98 11.796 -7.720 1.557 658 HD12 LEU 98 HD12 LEU 98 11.322 -9.252 2.329 659 HD13 LEU 98 HD13 LEU 98 12.523 -8.196 3.111 660 HD21 LEU 98 HD21 LEU 98 11.835 -9.455 -0.191 661 HD22 LEU 98 HD22 LEU 98 13.409 -8.784 -0.683 662 HD23 LEU 98 HD23 LEU 98 13.248 -10.526 -0.352 663 H GLY 99 H GLY 99 16.542 -11.302 0.400 664 HA2 GLY 99 HA2 GLY 99 18.242 -9.683 -1.304 665 HA3 GLY 99 HA3 GLY 99 19.090 -10.827 -0.283 666 H SER 100 H SER 100 19.246 -12.956 -0.925 667 HA SER 100 HA SER 100 17.347 -13.823 -2.948 668 HB2 SER 100 HB2 SER 100 19.089 -14.790 -4.314 669 HB3 SER 100 HB3 SER 100 19.522 -13.118 -4.020 670 HG SER 100 HG SER 100 20.706 -15.505 -2.998 671 HA PRO 101 HA PRO 101 17.532 -16.937 0.251 672 HB2 PRO 101 HB2 PRO 101 14.928 -17.742 0.056 673 HB3 PRO 101 HB3 PRO 101 15.457 -16.461 1.128 674 HG2 PRO 101 HG2 PRO 101 14.003 -16.249 -1.437 675 HG3 PRO 101 HG3 PRO 101 14.165 -15.055 -0.166 676 HD2 PRO 101 HD2 PRO 101 15.562 -15.094 -2.670 677 HD3 PRO 101 HD3 PRO 101 15.807 -13.967 -1.352 678 HA PRO 102 HA PRO 102 18.160 -20.372 -2.159 679 HB2 PRO 102 HB2 PRO 102 18.118 -22.390 -0.317 680 HB3 PRO 102 HB3 PRO 102 19.515 -21.368 -0.586 681 HG2 PRO 102 HG2 PRO 102 17.589 -21.321 1.655 682 HG3 PRO 102 HG3 PRO 102 19.194 -20.623 1.573 683 HD2 PRO 102 HD2 PRO 102 16.700 -19.222 1.356 684 HD3 PRO 102 HD3 PRO 102 18.304 -18.544 1.158 685 H SER 103 H SER 103 17.220 -22.058 -3.348 686 HA SER 103 HA SER 103 14.372 -22.168 -2.763 687 HB2 SER 103 HB2 SER 103 15.778 -21.649 -5.152 688 HB3 SER 103 HB3 SER 103 15.190 -23.288 -5.349 689 HG SER 103 HG SER 103 13.164 -22.580 -5.505 690 H SER 104 H SER 104 13.457 -24.111 -2.137 691 HA SER 104 HA SER 104 13.331 -26.175 -1.471 692 HB2 SER 104 HB2 SER 104 13.960 -26.260 -4.202 693 HB3 SER 104 HB3 SER 104 15.062 -27.428 -3.501 694 HG SER 104 HG SER 104 12.183 -27.377 -3.175 Start of MODEL 13 1 H MET 1 H1 MET 1 -2.779 -18.644 5.624 2 HA MET 1 HA MET 1 -4.875 -18.698 4.997 3 HB2 MET 1 HB2 MET 1 -4.336 -16.194 4.258 4 HB3 MET 1 HB3 MET 1 -4.352 -16.847 2.632 5 HG2 MET 1 HG2 MET 1 -6.605 -16.410 2.736 6 HG3 MET 1 HG3 MET 1 -6.678 -17.940 3.588 7 HE1 MET 1 HE1 MET 1 -7.105 -13.894 4.209 8 HE2 MET 1 HE2 MET 1 -6.070 -13.913 5.657 9 HE3 MET 1 HE3 MET 1 -5.423 -14.464 4.093 10 H GLY 2 H GLY 2 -2.767 -18.351 2.051 11 HA2 GLY 2 HA2 GLY 2 -2.434 -19.731 0.306 12 HA3 GLY 2 HA3 GLY 2 -3.067 -21.045 1.277 13 H LYS 3 H LYS 3 -3.989 -18.294 -0.852 14 HA LYS 3 HA LYS 3 -6.078 -19.866 -1.990 15 HB2 LYS 3 HB2 LYS 3 -6.887 -18.639 0.280 16 HB3 LYS 3 HB3 LYS 3 -7.175 -17.343 -0.863 17 HG2 LYS 3 HG2 LYS 3 -9.203 -18.550 -0.930 18 HG3 LYS 3 HG3 LYS 3 -8.351 -19.157 -2.336 19 HD2 LYS 3 HD2 LYS 3 -8.268 -21.266 -1.488 20 HD3 LYS 3 HD3 LYS 3 -7.617 -20.702 0.038 21 HE2 LYS 3 HE2 LYS 3 -9.773 -20.360 0.985 22 HE3 LYS 3 HE3 LYS 3 -10.558 -20.284 -0.580 23 HZ1 LYS 3 HZ1 LYS 3 -10.835 -22.503 -0.541 24 HZ2 LYS 3 HZ2 LYS 3 -9.264 -22.798 -0.230 25 HZ3 LYS 3 HZ3 LYS 3 -10.289 -22.470 1.002 26 H GLU 4 H GLU 4 -6.531 -19.171 -4.077 27 HA GLU 4 HA GLU 4 -5.505 -16.556 -4.789 28 HB2 GLU 4 HB2 GLU 4 -3.709 -18.227 -5.283 29 HB3 GLU 4 HB3 GLU 4 -4.821 -19.113 -6.307 30 HG2 GLU 4 HG2 GLU 4 -4.587 -17.642 -8.040 31 HG3 GLU 4 HG3 GLU 4 -4.723 -16.244 -6.993 32 H SER 5 H SER 5 -7.958 -16.293 -4.625 33 HA SER 5 HA SER 5 -9.037 -16.841 -7.251 34 HB2 SER 5 HB2 SER 5 -9.778 -18.568 -5.385 35 HB3 SER 5 HB3 SER 5 -10.813 -17.264 -4.837 36 HG SER 5 HG SER 5 -11.750 -18.820 -6.450 37 H GLY 6 H GLY 6 -9.572 -14.842 -8.045 38 HA2 GLY 6 HA2 GLY 6 -10.042 -12.628 -8.049 39 HA3 GLY 6 HA3 GLY 6 -11.444 -13.141 -7.132 40 H TRP 7 H TRP 7 -11.592 -11.315 -5.774 41 HA TRP 7 HA TRP 7 -9.294 -10.952 -3.972 42 HB2 TRP 7 HB2 TRP 7 -10.703 -9.071 -5.595 43 HB3 TRP 7 HB3 TRP 7 -11.034 -8.700 -3.914 44 HD1 TRP 7 HD1 TRP 7 -7.788 -9.523 -5.959 45 HE1 TRP 7 HE1 TRP 7 -5.805 -7.959 -5.194 46 HE3 TRP 7 HE3 TRP 7 -10.417 -7.062 -2.368 47 HZ2 TRP 7 HZ2 TRP 7 -5.563 -5.915 -3.217 48 HZ3 TRP 7 HZ3 TRP 7 -9.232 -5.297 -1.066 49 HH2 TRP 7 HH2 TRP 7 -6.889 -4.710 -1.443 50 H ASP 8 H ASP 8 -9.924 -12.429 -2.359 51 HA ASP 8 HA ASP 8 -12.252 -11.588 -0.890 52 HB2 ASP 8 HB2 ASP 8 -13.066 -13.937 -0.655 53 HB3 ASP 8 HB3 ASP 8 -13.157 -13.367 -2.309 54 H SER 9 H SER 9 -12.139 -12.387 1.393 55 HA SER 9 HA SER 9 -9.995 -14.030 2.179 56 HB2 SER 9 HB2 SER 9 -9.731 -11.032 2.488 57 HB3 SER 9 HB3 SER 9 -9.041 -12.084 3.707 58 HG SER 9 HG SER 9 -8.426 -12.906 1.108 59 H GLY 10 H GLY 10 -12.005 -11.224 3.348 60 HA2 GLY 10 HA2 GLY 10 -13.964 -11.682 4.663 61 HA3 GLY 10 HA3 GLY 10 -13.121 -13.024 5.410 62 H ARG 11 H ARG 11 -13.101 -12.383 7.567 63 HA ARG 11 HA ARG 11 -12.601 -9.730 8.292 64 HB2 ARG 11 HB2 ARG 11 -13.390 -12.173 9.574 65 HB3 ARG 11 HB3 ARG 11 -11.977 -11.601 10.438 66 HG2 ARG 11 HG2 ARG 11 -13.105 -9.295 10.550 67 HG3 ARG 11 HG3 ARG 11 -14.553 -10.052 9.916 68 HD2 ARG 11 HD2 ARG 11 -14.871 -10.123 12.272 69 HD3 ARG 11 HD3 ARG 11 -14.334 -11.745 11.882 70 HE ARG 11 HE ARG 11 -12.331 -11.350 13.041 71 HH11 ARG 11 HH22 ARG 11 -13.975 -8.262 12.478 72 HH12 ARG 11 HH21 ARG 11 -12.897 -7.361 13.492 73 HH21 ARG 11 HH12 ARG 11 -10.939 -10.168 14.355 74 HH22 ARG 11 HH11 ARG 11 -11.158 -8.461 14.566 75 H ALA 12 H ALA 12 -10.626 -12.773 8.322 76 HA ALA 12 HA ALA 12 -8.377 -11.993 9.557 77 HB1 ALA 12 HB1 ALA 12 -7.248 -13.423 7.634 78 HB2 ALA 12 HB2 ALA 12 -8.375 -14.184 8.783 79 HB3 ALA 12 HB3 ALA 12 -8.936 -13.723 7.158 80 H ALA 13 H ALA 13 -9.543 -10.945 6.343 81 HA ALA 13 HA ALA 13 -7.350 -9.881 5.208 82 HB1 ALA 13 HB1 ALA 13 -9.865 -8.228 5.337 83 HB2 ALA 13 HB2 ALA 13 -8.828 -8.606 3.941 84 HB3 ALA 13 HB3 ALA 13 -9.921 -9.847 4.600 85 H VAL 14 H VAL 14 -9.473 -8.130 7.591 86 HA VAL 14 HA VAL 14 -8.084 -5.832 7.823 87 HB VAL 14 HB VAL 14 -9.424 -7.490 9.965 88 HG11 VAL 14 HG11 VAL 14 -8.737 -4.534 10.063 89 HG12 VAL 14 HG12 VAL 14 -9.564 -5.486 11.319 90 HG13 VAL 14 HG13 VAL 14 -7.857 -5.813 10.933 91 HG21 VAL 14 HG21 VAL 14 -11.230 -6.979 8.723 92 HG22 VAL 14 HG22 VAL 14 -11.050 -5.346 9.408 93 HG23 VAL 14 HG23 VAL 14 -10.366 -5.719 7.808 94 H ALA 15 H ALA 15 -7.364 -8.964 9.490 95 HA ALA 15 HA ALA 15 -5.246 -8.072 11.020 96 HB1 ALA 15 HB1 ALA 15 -6.508 -10.335 10.973 97 HB2 ALA 15 HB2 ALA 15 -5.353 -10.797 9.700 98 HB3 ALA 15 HB3 ALA 15 -4.763 -10.366 11.324 99 H ALA 16 H ALA 16 -5.296 -9.363 7.634 100 HA ALA 16 HA ALA 16 -2.544 -9.252 7.235 101 HB1 ALA 16 HB1 ALA 16 -4.932 -9.825 5.759 102 HB2 ALA 16 HB2 ALA 16 -3.951 -8.693 4.799 103 HB3 ALA 16 HB3 ALA 16 -3.250 -10.235 5.345 104 H VAL 17 H VAL 17 -5.035 -6.750 7.341 105 HA VAL 17 HA VAL 17 -3.413 -4.819 5.965 106 HB VAL 17 HB VAL 17 -5.944 -4.505 7.592 107 HG11 VAL 17 HG11 VAL 17 -6.225 -2.434 6.212 108 HG12 VAL 17 HG12 VAL 17 -4.841 -2.378 7.330 109 HG13 VAL 17 HG13 VAL 17 -4.573 -2.675 5.595 110 HG21 VAL 17 HG21 VAL 17 -6.924 -5.668 5.947 111 HG22 VAL 17 HG22 VAL 17 -6.596 -4.265 4.901 112 HG23 VAL 17 HG23 VAL 17 -5.458 -5.633 4.938 113 H VAL 18 H VAL 18 -3.918 -5.997 9.257 114 HA VAL 18 HA VAL 18 -2.729 -3.666 10.452 115 HB VAL 18 HB VAL 18 -4.458 -5.609 11.283 116 HG11 VAL 18 HG11 VAL 18 -1.915 -6.173 12.820 117 HG12 VAL 18 HG12 VAL 18 -3.463 -7.051 12.864 118 HG13 VAL 18 HG13 VAL 18 -2.419 -7.158 11.426 119 HG21 VAL 18 HG21 VAL 18 -2.879 -3.453 12.579 120 HG22 VAL 18 HG22 VAL 18 -4.638 -3.714 12.518 121 HG23 VAL 18 HG23 VAL 18 -3.641 -4.635 13.669 122 H GLY 19 H GLY 19 -1.771 -6.923 9.344 123 HA2 GLY 19 HA2 GLY 19 0.650 -7.226 10.636 124 HA3 GLY 19 HA3 GLY 19 0.257 -7.844 9.044 125 H GLY 20 H GLY 20 1.867 -5.289 10.878 126 HA2 GLY 20 HA2 GLY 20 3.891 -4.433 9.843 127 HA3 GLY 20 HA3 GLY 20 3.000 -4.262 8.344 128 H VAL 21 H VAL 21 1.836 -3.494 11.677 129 HA VAL 21 HA VAL 21 0.586 -1.170 11.055 130 HB VAL 21 HB VAL 21 0.338 -2.296 13.161 131 HG11 VAL 21 HG11 VAL 21 1.989 -2.622 14.763 132 HG12 VAL 21 HG12 VAL 21 2.891 -2.845 13.245 133 HG13 VAL 21 HG13 VAL 21 3.010 -1.307 14.133 134 HG21 VAL 21 HG21 VAL 21 -0.348 -0.062 13.341 135 HG22 VAL 21 HG22 VAL 21 0.727 -0.288 14.741 136 HG23 VAL 21 HG23 VAL 21 1.320 0.556 13.290 137 H VAL 22 H VAL 22 3.995 -1.497 12.277 138 HA VAL 22 HA VAL 22 4.673 1.149 12.204 139 HB VAL 22 HB VAL 22 6.307 -1.319 11.593 140 HG11 VAL 22 HG11 VAL 22 7.292 1.462 12.317 141 HG12 VAL 22 HG12 VAL 22 8.295 0.009 12.087 142 HG13 VAL 22 HG13 VAL 22 7.410 0.708 10.709 143 HG21 VAL 22 HG21 VAL 22 5.402 0.049 14.075 144 HG22 VAL 22 HG22 VAL 22 5.738 -1.672 13.766 145 HG23 VAL 22 HG23 VAL 22 7.082 -0.541 14.054 146 H ALA 23 H ALA 23 4.738 -1.275 9.519 147 HA ALA 23 HA ALA 23 5.891 0.338 7.599 148 HB1 ALA 23 HB1 ALA 23 5.479 -1.460 6.288 149 HB2 ALA 23 HB2 ALA 23 4.851 -2.221 7.769 150 HB3 ALA 23 HB3 ALA 23 3.733 -1.425 6.635 151 H VAL 24 H VAL 24 2.494 0.116 8.759 152 HA VAL 24 HA VAL 24 1.479 1.836 6.746 153 HB VAL 24 HB VAL 24 0.371 1.083 9.459 154 HG11 VAL 24 HG11 VAL 24 -0.677 2.677 7.191 155 HG12 VAL 24 HG12 VAL 24 -1.789 1.455 7.853 156 HG13 VAL 24 HG13 VAL 24 -1.108 2.708 8.917 157 HG21 VAL 24 HG21 VAL 24 -0.861 -0.270 7.225 158 HG22 VAL 24 HG22 VAL 24 0.895 -0.561 7.222 159 HG23 VAL 24 HG23 VAL 24 -0.070 -0.955 8.665 160 H GLY 25 H GLY 25 3.120 2.259 9.846 161 HA2 GLY 25 HA2 GLY 25 2.246 4.885 10.415 162 HA3 GLY 25 HA3 GLY 25 3.683 4.091 11.026 163 H THR 26 H THR 26 5.345 3.646 8.952 164 HA THR 26 HA THR 26 6.309 6.211 8.326 165 HB THR 26 HB THR 26 6.928 3.366 7.408 166 HG1 THR 26 HG1 THR 26 8.155 5.488 9.026 167 HG21 THR 26 HG21 THR 26 9.050 5.370 7.034 168 HG22 THR 26 HG22 THR 26 8.480 4.120 5.902 169 HG23 THR 26 HG23 THR 26 7.656 5.697 5.976 170 H VAL 27 H VAL 27 4.434 3.801 6.410 171 HA VAL 27 HA VAL 27 4.555 5.091 3.983 172 HB VAL 27 HB VAL 27 2.609 3.270 5.342 173 HG11 VAL 27 HG11 VAL 27 1.416 3.147 3.064 174 HG12 VAL 27 HG12 VAL 27 1.040 4.528 4.122 175 HG13 VAL 27 HG13 VAL 27 2.144 4.739 2.742 176 HG21 VAL 27 HG21 VAL 27 3.250 1.844 3.332 177 HG22 VAL 27 HG22 VAL 27 4.474 3.084 2.963 178 HG23 VAL 27 HG23 VAL 27 4.547 2.190 4.501 179 H LEU 28 H LEU 28 1.983 5.404 6.538 180 HA LEU 28 HA LEU 28 0.603 7.444 5.264 181 HB2 LEU 28 HB2 LEU 28 -0.484 6.276 6.962 182 HB3 LEU 28 HB3 LEU 28 0.826 6.504 8.104 183 HG LEU 28 HG LEU 28 0.127 9.085 7.739 184 HD11 LEU 28 HD11 LEU 28 -1.690 8.355 6.142 185 HD12 LEU 28 HD12 LEU 28 -2.527 7.650 7.547 186 HD13 LEU 28 HD13 LEU 28 -2.207 9.400 7.487 187 HD21 LEU 28 HD21 LEU 28 -1.685 8.043 9.690 188 HD22 LEU 28 HD22 LEU 28 -0.177 7.098 9.745 189 HD23 LEU 28 HD23 LEU 28 -0.125 8.868 9.930 190 H VAL 29 H VAL 29 3.233 7.589 7.753 191 HA VAL 29 HA VAL 29 3.380 10.215 8.233 192 HB VAL 29 HB VAL 29 5.502 8.136 7.787 193 HG11 VAL 29 HG11 VAL 29 5.877 11.059 8.019 194 HG12 VAL 29 HG12 VAL 29 6.837 10.085 9.159 195 HG13 VAL 29 HG13 VAL 29 6.979 9.801 7.408 196 HG21 VAL 29 HG21 VAL 29 5.348 7.756 10.006 197 HG22 VAL 29 HG22 VAL 29 5.190 9.485 10.397 198 HG23 VAL 29 HG23 VAL 29 3.768 8.562 9.856 199 H ALA 30 H ALA 30 4.780 8.556 5.327 200 HA ALA 30 HA ALA 30 5.664 10.988 4.174 201 HB1 ALA 30 HB1 ALA 30 6.555 8.643 3.761 202 HB2 ALA 30 HB2 ALA 30 5.094 8.341 2.791 203 HB3 ALA 30 HB3 ALA 30 6.244 9.606 2.297 204 H LEU 31 H LEU 31 2.799 8.826 3.672 205 HA LEU 31 HA LEU 31 1.616 9.991 1.565 206 HB2 LEU 31 HB2 LEU 31 0.791 8.043 2.803 207 HB3 LEU 31 HB3 LEU 31 0.267 9.083 4.112 208 HG LEU 31 HG LEU 31 -1.636 8.465 2.786 209 HD11 LEU 31 HD11 LEU 31 -1.131 11.305 1.936 210 HD12 LEU 31 HD12 LEU 31 -2.628 10.545 2.528 211 HD13 LEU 31 HD13 LEU 31 -1.295 10.884 3.658 212 HD21 LEU 31 HD21 LEU 31 -1.794 9.203 0.374 213 HD22 LEU 31 HD22 LEU 31 -0.036 9.480 0.429 214 HD23 LEU 31 HD23 LEU 31 -0.689 7.847 0.703 215 H SER 32 H SER 32 0.868 11.021 4.974 216 HA SER 32 HA SER 32 -0.317 13.391 4.048 217 HB2 SER 32 HB2 SER 32 0.545 12.395 6.786 218 HB3 SER 32 HB3 SER 32 -0.145 13.992 6.576 219 HG SER 32 HG SER 32 -1.498 11.759 6.920 220 H ALA 33 H ALA 33 2.622 12.886 6.149 221 HA ALA 33 HA ALA 33 3.601 15.486 5.302 222 HB1 ALA 33 HB1 ALA 33 5.429 14.175 7.038 223 HB2 ALA 33 HB2 ALA 33 4.298 15.490 7.436 224 HB3 ALA 33 HB3 ALA 33 3.796 13.794 7.637 225 H MET 34 H MET 34 4.087 15.036 3.074 226 HA MET 34 HA MET 34 5.444 12.885 2.146 227 HB2 MET 34 HB2 MET 34 5.143 15.778 1.343 228 HB3 MET 34 HB3 MET 34 6.401 14.879 0.518 229 HG2 MET 34 HG2 MET 34 4.138 13.151 0.537 230 HG3 MET 34 HG3 MET 34 3.503 14.738 0.153 231 HE1 MET 34 HE1 MET 34 4.952 11.607 -1.439 232 HE2 MET 34 HE2 MET 34 6.408 12.192 -2.280 233 HE3 MET 34 HE3 MET 34 6.324 12.246 -0.503 234 H GLY 35 H GLY 35 6.674 15.661 3.981 235 HA2 GLY 35 HA2 GLY 35 8.938 14.569 4.940 236 HA3 GLY 35 HA3 GLY 35 9.447 15.116 3.355 237 H PHE 36 H PHE 36 7.019 16.579 5.614 238 HA PHE 36 HA PHE 36 8.835 18.682 6.318 239 HB2 PHE 36 HB2 PHE 36 6.527 18.933 4.335 240 HB3 PHE 36 HB3 PHE 36 6.899 20.303 5.362 241 HD1 PHE 36 HD2 PHE 36 9.241 21.284 5.256 242 HD2 PHE 36 HD1 PHE 36 7.788 18.507 2.396 243 HE1 PHE 36 HE2 PHE 36 11.030 22.004 3.649 244 HE2 PHE 36 HE1 PHE 36 9.577 19.226 0.789 245 HZ PHE 36 HZ PHE 36 11.177 20.966 1.435 246 H THR 37 H THR 37 7.871 20.175 7.932 247 HA THR 37 HA THR 37 6.501 18.906 9.914 248 HB THR 37 HB THR 37 6.522 21.877 9.162 249 HG1 THR 37 HG1 THR 37 8.414 21.713 10.623 250 HG21 THR 37 HG21 THR 37 4.927 21.531 10.995 251 HG22 THR 37 HG22 THR 37 6.043 20.405 11.804 252 HG23 THR 37 HG23 THR 37 6.446 22.135 11.698 253 H SER 38 H SER 38 4.483 18.238 10.330 254 HA SER 38 HA SER 38 2.449 19.227 8.487 255 HB2 SER 38 HB2 SER 38 1.278 17.014 8.980 256 HB3 SER 38 HB3 SER 38 2.758 16.893 8.049 257 HG SER 38 HG SER 38 2.658 16.565 10.923 258 H VAL 39 H VAL 39 3.612 19.288 11.672 259 HA VAL 39 HA VAL 39 1.300 19.033 13.197 260 HB VAL 39 HB VAL 39 3.817 20.661 13.583 261 HG11 VAL 39 HG11 VAL 39 3.225 21.153 15.763 262 HG12 VAL 39 HG12 VAL 39 1.656 21.301 14.937 263 HG13 VAL 39 HG13 VAL 39 2.041 19.828 15.858 264 HG21 VAL 39 HG21 VAL 39 3.099 17.829 13.940 265 HG22 VAL 39 HG22 VAL 39 4.696 18.600 13.786 266 HG23 VAL 39 HG23 VAL 39 3.873 18.566 15.364 267 H GLY 40 H GLY 40 2.839 22.252 13.061 268 HA2 GLY 40 HA2 GLY 40 0.694 23.803 13.437 269 HA3 GLY 40 HA3 GLY 40 2.027 24.266 12.397 270 H ILE 41 H ILE 41 1.784 22.571 10.193 271 HA ILE 41 HA ILE 41 -0.064 23.833 8.637 272 HB ILE 41 HB ILE 41 1.222 21.119 8.410 273 HG12 ILE 41 HG12 ILE 41 2.675 23.144 8.377 274 HG13 ILE 41 HG13 ILE 41 2.746 22.185 6.912 275 HG21 ILE 41 HG21 ILE 41 0.399 22.038 5.858 276 HG22 ILE 41 HG22 ILE 41 -0.117 20.575 6.731 277 HG23 ILE 41 HG23 ILE 41 -1.023 22.095 6.927 278 HD11 ILE 41 HD11 ILE 41 2.052 24.959 7.181 279 HD12 ILE 41 HD12 ILE 41 2.141 23.989 5.691 280 HD13 ILE 41 HD13 ILE 41 0.611 24.094 6.595 281 H ALA 42 H ALA 42 -0.418 20.609 10.272 282 HA ALA 42 HA ALA 42 -3.029 20.162 9.436 283 HB1 ALA 42 HB1 ALA 42 -1.440 18.504 10.451 284 HB2 ALA 42 HB2 ALA 42 -1.702 19.281 12.031 285 HB3 ALA 42 HB3 ALA 42 -3.057 18.484 11.195 286 H ALA 43 H ALA 43 -1.660 22.155 12.058 287 HA ALA 43 HA ALA 43 -4.089 22.496 13.458 288 HB1 ALA 43 HB1 ALA 43 -2.628 23.400 14.902 289 HB2 ALA 43 HB2 ALA 43 -1.342 23.251 13.680 290 HB3 ALA 43 HB3 ALA 43 -2.316 24.738 13.770 291 H SER 44 H SER 44 -2.606 23.980 10.591 292 HA SER 44 HA SER 44 -4.242 26.268 10.641 293 HB2 SER 44 HB2 SER 44 -1.994 25.895 9.407 294 HB3 SER 44 HB3 SER 44 -2.925 25.059 8.180 295 HG SER 44 HG SER 44 -3.736 26.926 7.458 296 H SER 45 H SER 45 -4.231 23.262 8.581 297 HA SER 45 HA SER 45 -6.563 23.844 7.251 298 HB2 SER 45 HB2 SER 45 -4.738 21.618 7.515 299 HB3 SER 45 HB3 SER 45 -6.375 20.998 7.591 300 HG SER 45 HG SER 45 -5.859 21.064 5.411 301 H ILE 46 H ILE 46 -5.982 21.923 10.271 302 HA ILE 46 HA ILE 46 -8.578 21.083 10.684 303 HB ILE 46 HB ILE 46 -6.285 21.678 12.538 304 HG12 ILE 46 HG12 ILE 46 -7.522 19.022 11.784 305 HG13 ILE 46 HG13 ILE 46 -6.237 19.763 10.850 306 HG21 ILE 46 HG21 ILE 46 -8.451 22.022 13.729 307 HG22 ILE 46 HG22 ILE 46 -8.884 20.342 13.332 308 HG23 ILE 46 HG23 ILE 46 -7.473 20.678 14.363 309 HD11 ILE 46 HD11 ILE 46 -5.697 18.074 12.854 310 HD12 ILE 46 HD12 ILE 46 -4.645 19.472 12.525 311 HD13 ILE 46 HD13 ILE 46 -5.852 19.554 13.831 312 H ALA 47 H ALA 47 -6.930 24.014 12.072 313 HA ALA 47 HA ALA 47 -9.055 25.078 13.389 314 HB1 ALA 47 HB1 ALA 47 -7.910 27.252 13.050 315 HB2 ALA 47 HB2 ALA 47 -6.760 25.956 13.459 316 HB3 ALA 47 HB3 ALA 47 -6.908 26.516 11.776 317 H ALA 48 H ALA 48 -8.167 25.584 9.904 318 HA ALA 48 HA ALA 48 -10.106 27.311 9.163 319 HB1 ALA 48 HB1 ALA 48 -9.982 25.427 7.078 320 HB2 ALA 48 HB2 ALA 48 -8.955 26.867 7.281 321 HB3 ALA 48 HB3 ALA 48 -8.415 25.293 7.912 322 H LYS 49 H LYS 49 -10.490 23.722 8.716 323 HA LYS 49 HA LYS 49 -13.008 23.691 9.997 324 HB2 LYS 49 HB2 LYS 49 -12.972 24.408 7.166 325 HB3 LYS 49 HB3 LYS 49 -13.902 22.953 7.461 326 HG2 LYS 49 HG2 LYS 49 -15.514 24.059 8.686 327 HG3 LYS 49 HG3 LYS 49 -14.356 25.135 9.443 328 HD2 LYS 49 HD2 LYS 49 -14.153 26.142 6.970 329 HD3 LYS 49 HD3 LYS 49 -15.731 25.409 6.766 330 HE2 LYS 49 HE2 LYS 49 -15.931 26.693 9.260 331 HE3 LYS 49 HE3 LYS 49 -14.970 27.807 8.308 332 HZ1 LYS 49 HZ1 LYS 49 -17.031 28.433 7.595 333 HZ2 LYS 49 HZ2 LYS 49 -16.872 27.199 6.544 334 HZ3 LYS 49 HZ3 LYS 49 -17.692 26.977 7.942 335 H MET 50 H MET 50 -11.532 22.070 7.094 336 HA MET 50 HA MET 50 -10.663 20.073 6.872 337 HB2 MET 50 HB2 MET 50 -10.315 20.527 9.644 338 HB3 MET 50 HB3 MET 50 -11.124 18.974 9.588 339 HG2 MET 50 HG2 MET 50 -9.160 18.841 7.540 340 HG3 MET 50 HG3 MET 50 -8.359 19.638 8.879 341 HE1 MET 50 HE1 MET 50 -9.027 15.996 7.554 342 HE2 MET 50 HE2 MET 50 -7.640 17.111 7.561 343 HE3 MET 50 HE3 MET 50 -7.643 15.687 8.629 344 H MET 51 H MET 51 -13.365 19.953 9.306 345 HA MET 51 HA MET 51 -14.342 17.524 8.297 346 HB2 MET 51 HB2 MET 51 -15.389 19.720 10.135 347 HB3 MET 51 HB3 MET 51 -16.451 18.406 9.670 348 HG2 MET 51 HG2 MET 51 -14.272 16.944 10.408 349 HG3 MET 51 HG3 MET 51 -14.011 18.349 11.422 350 HE1 MET 51 HE1 MET 51 -17.217 18.680 13.451 351 HE2 MET 51 HE2 MET 51 -15.484 18.613 13.850 352 HE3 MET 51 HE3 MET 51 -16.037 19.550 12.442 353 H SER 52 H SER 52 -15.687 20.907 8.139 354 HA SER 52 HA SER 52 -17.778 20.356 6.508 355 HB2 SER 52 HB2 SER 52 -17.872 22.708 6.055 356 HB3 SER 52 HB3 SER 52 -17.208 22.549 7.669 357 HG SER 52 HG SER 52 -15.929 23.356 5.250 358 H THR 53 H THR 53 -17.864 19.438 4.493 359 HA THR 53 HA THR 53 -15.769 18.749 2.933 360 HB THR 53 HB THR 53 -17.474 18.571 1.130 361 HG1 THR 53 HG1 THR 53 -18.796 20.355 3.043 362 HG21 THR 53 HG21 THR 53 -18.733 16.989 2.225 363 HG22 THR 53 HG22 THR 53 -17.749 17.389 3.653 364 HG23 THR 53 HG23 THR 53 -19.327 18.177 3.410 365 H ALA 54 H ALA 54 -14.050 20.085 2.602 366 HA ALA 54 HA ALA 54 -14.218 22.800 2.097 367 HB1 ALA 54 HB1 ALA 54 -11.953 21.689 0.739 368 HB2 ALA 54 HB2 ALA 54 -12.007 22.492 2.327 369 HB3 ALA 54 HB3 ALA 54 -12.234 20.730 2.213 370 H ALA 55 H ALA 55 -13.745 23.972 0.037 371 HA ALA 55 HA ALA 55 -15.445 22.937 -2.032 372 HB1 ALA 55 HB1 ALA 55 -15.589 25.279 -1.478 373 HB2 ALA 55 HB2 ALA 55 -13.833 25.492 -1.680 374 HB3 ALA 55 HB3 ALA 55 -14.858 25.158 -3.096 375 H ILE 56 H ILE 56 -14.511 21.163 -3.046 376 HA ILE 56 HA ILE 56 -11.915 21.710 -4.309 377 HB ILE 56 HB ILE 56 -11.361 19.377 -4.091 378 HG12 ILE 56 HG12 ILE 56 -14.032 19.077 -2.687 379 HG13 ILE 56 HG13 ILE 56 -13.591 18.401 -4.242 380 HG21 ILE 56 HG21 ILE 56 -11.221 21.215 -2.124 381 HG22 ILE 56 HG22 ILE 56 -12.161 19.951 -1.296 382 HG23 ILE 56 HG23 ILE 56 -10.567 19.566 -1.988 383 HD11 ILE 56 HD11 ILE 56 -11.886 16.979 -3.228 384 HD12 ILE 56 HD12 ILE 56 -12.103 17.776 -1.652 385 HD13 ILE 56 HD13 ILE 56 -13.404 16.764 -2.324 386 H ALA 57 H ALA 57 -15.074 19.961 -4.488 387 HA ALA 57 HA ALA 57 -16.435 19.716 -6.242 388 HB1 ALA 57 HB1 ALA 57 -15.214 21.914 -7.039 389 HB2 ALA 57 HB2 ALA 57 -14.405 20.814 -8.182 390 HB3 ALA 57 HB3 ALA 57 -16.179 20.963 -8.194 391 H ASN 58 H ASN 58 -16.699 17.593 -6.697 392 HA ASN 58 HA ASN 58 -16.350 15.595 -7.462 393 HB2 ASN 58 HB2 ASN 58 -15.757 16.703 -9.625 394 HB3 ASN 58 HB3 ASN 58 -14.093 16.866 -9.101 395 HD21 ASN 58 HD21 ASN 58 -14.013 15.692 -11.267 396 HD22 ASN 58 HD22 ASN 58 -13.929 13.962 -11.220 397 H GLY 59 H GLY 59 -15.314 13.849 -6.431 398 HA2 GLY 59 HA2 GLY 59 -13.445 12.652 -5.719 399 HA3 GLY 59 HA3 GLY 59 -12.492 14.122 -5.688 400 H GLY 60 H GLY 60 -15.411 12.636 -4.114 401 HA2 GLY 60 HA2 GLY 60 -14.593 13.970 -1.603 402 HA3 GLY 60 HA3 GLY 60 -16.250 13.636 -2.062 403 H GLY 61 H GLY 61 -13.896 12.623 -0.008 404 HA2 GLY 61 HA2 GLY 61 -14.976 10.488 1.088 405 HA3 GLY 61 HA3 GLY 61 -14.299 9.747 -0.348 406 H VAL 62 H VAL 62 -13.184 8.647 1.719 407 HA VAL 62 HA VAL 62 -10.968 10.212 2.713 408 HB VAL 62 HB VAL 62 -12.305 8.692 4.137 409 HG11 VAL 62 HG11 VAL 62 -11.535 6.758 2.054 410 HG12 VAL 62 HG12 VAL 62 -11.291 6.171 3.717 411 HG13 VAL 62 HG13 VAL 62 -12.898 6.734 3.199 412 HG21 VAL 62 HG21 VAL 62 -10.353 7.584 5.238 413 HG22 VAL 62 HG22 VAL 62 -9.354 8.046 3.839 414 HG23 VAL 62 HG23 VAL 62 -10.087 9.303 4.864 415 H ALA 63 H ALA 63 -11.703 8.330 -0.048 416 HA ALA 63 HA ALA 63 -8.837 8.098 -0.606 417 HB1 ALA 63 HB1 ALA 63 -9.165 5.882 -1.545 418 HB2 ALA 63 HB2 ALA 63 -9.771 5.886 0.128 419 HB3 ALA 63 HB3 ALA 63 -10.915 5.964 -1.233 420 H ALA 64 H ALA 64 -9.533 10.263 -1.598 421 HA ALA 64 HA ALA 64 -10.096 9.769 -4.375 422 HB1 ALA 64 HB1 ALA 64 -12.085 11.002 -2.505 423 HB2 ALA 64 HB2 ALA 64 -11.895 11.742 -4.113 424 HB3 ALA 64 HB3 ALA 64 -12.348 10.027 -3.970 425 H GLY 65 H GLY 65 -9.714 11.782 -5.678 426 HA2 GLY 65 HA2 GLY 65 -8.846 13.917 -5.922 427 HA3 GLY 65 HA3 GLY 65 -8.335 13.925 -4.246 428 H SER 66 H SER 66 -6.331 14.819 -5.526 429 HA SER 66 HA SER 66 -4.786 13.410 -7.163 430 HB2 SER 66 HB2 SER 66 -4.392 15.522 -5.204 431 HB3 SER 66 HB3 SER 66 -2.984 14.480 -5.226 432 HG SER 66 HG SER 66 -2.551 15.002 -7.321 433 H LEU 67 H LEU 67 -5.420 12.749 -3.733 434 HA LEU 67 HA LEU 67 -3.270 11.151 -3.107 435 HB2 LEU 67 HB2 LEU 67 -6.091 11.394 -2.193 436 HB3 LEU 67 HB3 LEU 67 -5.199 9.970 -1.695 437 HG LEU 67 HG LEU 67 -5.020 11.594 0.038 438 HD11 LEU 67 HD11 LEU 67 -2.875 10.346 -1.011 439 HD12 LEU 67 HD12 LEU 67 -2.331 12.037 -1.130 440 HD13 LEU 67 HD13 LEU 67 -2.811 11.364 0.447 441 HD21 LEU 67 HD21 LEU 67 -5.599 13.583 -1.274 442 HD22 LEU 67 HD22 LEU 67 -4.149 13.849 -0.278 443 HD23 LEU 67 HD23 LEU 67 -3.986 13.558 -2.027 444 H VAL 68 H VAL 68 -6.479 10.129 -4.477 445 HA VAL 68 HA VAL 68 -6.061 7.487 -4.734 446 HB VAL 68 HB VAL 68 -7.986 9.114 -5.466 447 HG11 VAL 68 HG11 VAL 68 -8.189 9.559 -7.778 448 HG12 VAL 68 HG12 VAL 68 -6.524 10.027 -7.358 449 HG13 VAL 68 HG13 VAL 68 -6.832 8.484 -8.191 450 HG21 VAL 68 HG21 VAL 68 -7.498 6.376 -5.705 451 HG22 VAL 68 HG22 VAL 68 -9.069 7.199 -5.867 452 HG23 VAL 68 HG23 VAL 68 -8.087 6.862 -7.313 453 H ALA 69 H ALA 69 -4.480 10.105 -6.544 454 HA ALA 69 HA ALA 69 -3.512 8.630 -8.684 455 HB1 ALA 69 HB1 ALA 69 -1.912 10.817 -7.356 456 HB2 ALA 69 HB2 ALA 69 -2.170 10.500 -9.088 457 HB3 ALA 69 HB3 ALA 69 -3.481 11.194 -8.105 458 H ILE 70 H ILE 70 -1.881 9.428 -5.529 459 HA ILE 70 HA ILE 70 0.250 7.629 -6.076 460 HB ILE 70 HB ILE 70 1.149 8.336 -4.069 461 HG12 ILE 70 HG12 ILE 70 -0.349 9.549 -2.333 462 HG13 ILE 70 HG13 ILE 70 -1.691 8.779 -3.157 463 HG21 ILE 70 HG21 ILE 70 -0.561 10.747 -4.590 464 HG22 ILE 70 HG22 ILE 70 1.181 10.637 -4.241 465 HG23 ILE 70 HG23 ILE 70 0.562 10.159 -5.840 466 HD11 ILE 70 HD11 ILE 70 -0.036 7.630 -1.175 467 HD12 ILE 70 HD12 ILE 70 -1.246 6.787 -2.171 468 HD13 ILE 70 HD13 ILE 70 0.453 6.847 -2.697 469 H LEU 71 H LEU 71 -2.995 7.341 -4.817 470 HA LEU 71 HA LEU 71 -2.619 5.126 -3.151 471 HB2 LEU 71 HB2 LEU 71 -4.611 6.716 -3.400 472 HB3 LEU 71 HB3 LEU 71 -5.098 5.715 -4.754 473 HG LEU 71 HG LEU 71 -4.539 4.379 -2.133 474 HD11 LEU 71 HD11 LEU 71 -6.888 6.171 -2.707 475 HD12 LEU 71 HD12 LEU 71 -7.040 4.769 -1.621 476 HD13 LEU 71 HD13 LEU 71 -5.876 6.063 -1.246 477 HD21 LEU 71 HD21 LEU 71 -5.124 3.218 -4.350 478 HD22 LEU 71 HD22 LEU 71 -6.020 2.737 -2.889 479 HD23 LEU 71 HD23 LEU 71 -6.775 3.826 -4.078 480 H GLN 72 H GLN 72 -3.831 5.266 -6.580 481 HA GLN 72 HA GLN 72 -3.660 2.497 -6.873 482 HB2 GLN 72 HB2 GLN 72 -3.819 3.127 -9.385 483 HB3 GLN 72 HB3 GLN 72 -5.150 3.590 -8.342 484 HG2 GLN 72 HG2 GLN 72 -4.799 5.800 -8.737 485 HG3 GLN 72 HG3 GLN 72 -3.101 5.671 -8.322 486 HE21 GLN 72 HE21 GLN 72 -2.371 6.963 -9.941 487 HE22 GLN 72 HE22 GLN 72 -2.391 6.538 -11.621 488 H SER 73 H SER 73 -1.410 5.210 -7.527 489 HA SER 73 HA SER 73 0.396 3.757 -9.047 490 HB2 SER 73 HB2 SER 73 0.347 6.345 -7.591 491 HB3 SER 73 HB3 SER 73 1.950 5.658 -7.764 492 HG SER 73 HG SER 73 0.243 6.745 -9.708 493 H VAL 74 H VAL 74 0.959 4.956 -5.657 494 HA VAL 74 HA VAL 74 3.022 3.199 -5.114 495 HB VAL 74 HB VAL 74 1.035 4.503 -3.242 496 HG11 VAL 74 HG11 VAL 74 3.809 3.393 -2.692 497 HG12 VAL 74 HG12 VAL 74 2.803 4.299 -1.537 498 HG13 VAL 74 HG13 VAL 74 2.267 2.707 -2.126 499 HG21 VAL 74 HG21 VAL 74 3.695 5.459 -4.347 500 HG22 VAL 74 HG22 VAL 74 2.088 6.169 -4.632 501 HG23 VAL 74 HG23 VAL 74 2.819 6.242 -3.011 502 H GLY 75 H GLY 75 -0.463 2.709 -5.221 503 HA2 GLY 75 HA2 GLY 75 -0.733 0.519 -3.515 504 HA3 GLY 75 HA3 GLY 75 -1.738 0.887 -4.903 505 H ALA 76 H ALA 76 -0.636 0.383 -7.147 506 HA ALA 76 HA ALA 76 0.022 -2.376 -7.094 507 HB1 ALA 76 HB1 ALA 76 -1.060 -1.965 -9.047 508 HB2 ALA 76 HB2 ALA 76 -0.570 -0.254 -9.071 509 HB3 ALA 76 HB3 ALA 76 0.552 -1.509 -9.648 510 H ALA 77 H ALA 77 1.841 0.620 -8.064 511 HA ALA 77 HA ALA 77 4.229 -0.532 -8.678 512 HB1 ALA 77 HB1 ALA 77 3.300 1.979 -8.579 513 HB2 ALA 77 HB2 ALA 77 4.243 1.998 -7.070 514 HB3 ALA 77 HB3 ALA 77 5.043 1.623 -8.615 515 H GLY 78 H GLY 78 2.971 0.399 -5.416 516 HA2 GLY 78 HA2 GLY 78 5.289 -0.301 -3.980 517 HA3 GLY 78 HA3 GLY 78 3.663 -0.144 -3.347 518 H LEU 79 H LEU 79 2.107 -2.041 -3.873 519 HA LEU 79 HA LEU 79 2.910 -4.317 -2.724 520 HB2 LEU 79 HB2 LEU 79 0.648 -3.417 -3.977 521 HB3 LEU 79 HB3 LEU 79 1.101 -4.770 -4.995 522 HG LEU 79 HG LEU 79 -0.522 -5.304 -3.163 523 HD11 LEU 79 HD11 LEU 79 1.162 -7.257 -2.281 524 HD12 LEU 79 HD12 LEU 79 0.287 -7.288 -3.831 525 HD13 LEU 79 HD13 LEU 79 1.979 -6.738 -3.774 526 HD21 LEU 79 HD21 LEU 79 1.094 -3.818 -1.550 527 HD22 LEU 79 HD22 LEU 79 -0.116 -4.992 -0.978 528 HD23 LEU 79 HD23 LEU 79 1.593 -5.471 -1.117 529 H SER 80 H SER 80 3.561 -3.285 -6.072 530 HA SER 80 HA SER 80 4.394 -5.774 -6.990 531 HB2 SER 80 HB2 SER 80 4.919 -2.915 -7.853 532 HB3 SER 80 HB3 SER 80 5.726 -4.242 -8.665 533 HG SER 80 HG SER 80 3.881 -4.028 -9.846 534 H VAL 81 H VAL 81 6.565 -2.899 -6.510 535 HA VAL 81 HA VAL 81 8.919 -4.215 -6.395 536 HB VAL 81 HB VAL 81 7.989 -1.783 -4.863 537 HG11 VAL 81 HG11 VAL 81 10.663 -1.405 -5.174 538 HG12 VAL 81 HG12 VAL 81 9.911 -2.060 -3.700 539 HG13 VAL 81 HG13 VAL 81 10.609 -3.164 -4.909 540 HG21 VAL 81 HG21 VAL 81 8.112 -0.713 -6.814 541 HG22 VAL 81 HG22 VAL 81 9.804 -1.230 -7.016 542 HG23 VAL 81 HG23 VAL 81 8.482 -2.255 -7.624 543 H THR 82 H THR 82 6.340 -4.174 -3.982 544 HA THR 82 HA THR 82 7.910 -5.016 -1.785 545 HB THR 82 HB THR 82 4.931 -5.207 -2.467 546 HG1 THR 82 HG1 THR 82 5.633 -3.049 -2.193 547 HG21 THR 82 HG21 THR 82 6.336 -6.471 -0.317 548 HG22 THR 82 HG22 THR 82 5.595 -5.003 0.364 549 HG23 THR 82 HG23 THR 82 4.579 -6.218 -0.449 550 H SER 83 H SER 83 5.321 -7.058 -3.219 551 HA SER 83 HA SER 83 6.330 -9.394 -2.369 552 HB2 SER 83 HB2 SER 83 4.510 -8.542 -4.557 553 HB3 SER 83 HB3 SER 83 5.214 -10.129 -4.794 554 HG SER 83 HG SER 83 4.127 -10.932 -3.089 555 H LYS 84 H LYS 84 7.073 -7.677 -5.468 556 HA LYS 84 HA LYS 84 8.624 -9.602 -6.658 557 HB2 LYS 84 HB2 LYS 84 7.805 -7.162 -7.362 558 HB3 LYS 84 HB3 LYS 84 9.436 -6.734 -6.886 559 HG2 LYS 84 HG2 LYS 84 8.973 -9.123 -8.698 560 HG3 LYS 84 HG3 LYS 84 8.958 -7.505 -9.370 561 HD2 LYS 84 HD2 LYS 84 11.226 -7.239 -9.128 562 HD3 LYS 84 HD3 LYS 84 11.251 -8.005 -7.552 563 HE2 LYS 84 HE2 LYS 84 12.151 -9.840 -8.540 564 HE3 LYS 84 HE3 LYS 84 10.605 -10.110 -9.320 565 HZ1 LYS 84 HZ1 LYS 84 13.020 -9.291 -10.523 566 HZ2 LYS 84 HZ2 LYS 84 11.612 -9.653 -11.258 567 HZ3 LYS 84 HZ3 LYS 84 11.885 -8.130 -10.727 568 H VAL 85 H VAL 85 9.586 -7.061 -4.267 569 HA VAL 85 HA VAL 85 12.296 -7.791 -4.241 570 HB VAL 85 HB VAL 85 10.451 -6.230 -2.467 571 HG11 VAL 85 HG11 VAL 85 13.366 -6.820 -1.848 572 HG12 VAL 85 HG12 VAL 85 12.325 -5.664 -0.985 573 HG13 VAL 85 HG13 VAL 85 11.961 -7.405 -0.926 574 HG21 VAL 85 HG21 VAL 85 13.021 -5.174 -3.557 575 HG22 VAL 85 HG22 VAL 85 11.715 -5.515 -4.717 576 HG23 VAL 85 HG23 VAL 85 11.438 -4.381 -3.374 577 H ILE 86 H ILE 86 9.387 -9.104 -2.710 578 HA ILE 86 HA ILE 86 10.821 -10.566 -0.723 579 HB ILE 86 HB ILE 86 7.989 -10.552 -1.731 580 HG12 ILE 86 HG12 ILE 86 9.070 -9.910 1.020 581 HG13 ILE 86 HG13 ILE 86 8.940 -8.708 -0.248 582 HG21 ILE 86 HG21 ILE 86 7.816 -12.044 0.520 583 HG22 ILE 86 HG22 ILE 86 7.886 -12.719 -1.126 584 HG23 ILE 86 HG23 ILE 86 9.364 -12.629 -0.137 585 HD11 ILE 86 HD11 ILE 86 6.783 -10.062 1.317 586 HD12 ILE 86 HD12 ILE 86 6.847 -8.408 0.664 587 HD13 ILE 86 HD13 ILE 86 6.436 -9.771 -0.404 588 H GLY 87 H GLY 87 8.968 -11.573 -3.690 589 HA2 GLY 87 HA2 GLY 87 10.742 -13.047 -5.012 590 HA3 GLY 87 HA3 GLY 87 10.375 -14.123 -3.678 591 H GLY 88 H GLY 88 9.351 -12.934 -6.759 592 HA2 GLY 88 HA2 GLY 88 6.561 -13.495 -6.533 593 HA3 GLY 88 HA3 GLY 88 7.482 -13.217 -7.997 594 H PHE 89 H PHE 89 7.456 -15.724 -5.352 595 HA PHE 89 HA PHE 89 6.519 -17.771 -6.972 596 HB2 PHE 89 HB2 PHE 89 8.750 -18.994 -7.231 597 HB3 PHE 89 HB3 PHE 89 8.663 -17.524 -8.181 598 HD1 PHE 89 HD1 PHE 89 9.868 -15.486 -7.411 599 HD2 PHE 89 HD2 PHE 89 10.336 -19.228 -5.467 600 HE1 PHE 89 HE1 PHE 89 11.971 -14.656 -6.321 601 HE2 PHE 89 HE2 PHE 89 12.439 -18.398 -4.376 602 HZ PHE 89 HZ PHE 89 13.232 -16.122 -4.816 603 H ALA 90 H ALA 90 5.955 -16.890 -4.385 604 HA ALA 90 HA ALA 90 5.624 -17.670 -2.341 605 HB1 ALA 90 HB1 ALA 90 6.946 -20.277 -3.147 606 HB2 ALA 90 HB2 ALA 90 5.638 -20.011 -1.970 607 HB3 ALA 90 HB3 ALA 90 5.316 -19.836 -3.711 608 H GLY 91 H GLY 91 6.928 -18.779 -0.365 609 HA2 GLY 91 HA2 GLY 91 9.404 -19.161 0.132 610 HA3 GLY 91 HA3 GLY 91 9.592 -17.515 -0.439 611 H THR 92 H THR 92 9.912 -18.880 2.315 612 HA THR 92 HA THR 92 7.890 -17.461 3.861 613 HB THR 92 HB THR 92 10.165 -19.357 4.650 614 HG1 THR 92 HG1 THR 92 8.618 -20.590 3.578 615 HG21 THR 92 HG21 THR 92 7.695 -19.122 6.295 616 HG22 THR 92 HG22 THR 92 9.390 -19.259 6.819 617 HG23 THR 92 HG23 THR 92 8.733 -17.676 6.338 618 H ALA 93 H ALA 93 9.198 -15.562 2.502 619 HA ALA 93 HA ALA 93 11.512 -14.683 3.952 620 HB1 ALA 93 HB1 ALA 93 10.781 -12.560 2.433 621 HB2 ALA 93 HB2 ALA 93 11.683 -13.954 1.790 622 HB3 ALA 93 HB3 ALA 93 9.919 -13.857 1.570 623 H LEU 94 H LEU 94 9.957 -15.027 6.006 624 HA LEU 94 HA LEU 94 8.439 -12.572 6.453 625 HB2 LEU 94 HB2 LEU 94 7.578 -14.984 6.853 626 HB3 LEU 94 HB3 LEU 94 8.561 -14.933 8.304 627 HG LEU 94 HG LEU 94 7.228 -12.643 8.677 628 HD11 LEU 94 HD11 LEU 94 5.974 -12.682 6.622 629 HD12 LEU 94 HD12 LEU 94 5.359 -14.314 6.977 630 HD13 LEU 94 HD13 LEU 94 4.860 -12.937 7.987 631 HD21 LEU 94 HD21 LEU 94 7.363 -14.853 10.037 632 HD22 LEU 94 HD22 LEU 94 6.004 -13.736 10.309 633 HD23 LEU 94 HD23 LEU 94 5.773 -15.194 9.314 634 H GLY 95 H GLY 95 10.717 -11.521 6.345 635 HA2 GLY 95 HA2 GLY 95 11.632 -10.148 8.179 636 HA3 GLY 95 HA3 GLY 95 11.919 -11.642 9.048 637 H ALA 96 H ALA 96 13.647 -13.050 8.435 638 HA ALA 96 HA ALA 96 15.959 -11.954 7.621 639 HB1 ALA 96 HB1 ALA 96 16.685 -14.261 7.115 640 HB2 ALA 96 HB2 ALA 96 15.694 -14.207 8.593 641 HB3 ALA 96 HB3 ALA 96 14.985 -14.787 7.066 642 H TRP 97 H TRP 97 16.871 -11.202 5.756 643 HA TRP 97 HA TRP 97 15.227 -11.048 3.436 644 HB2 TRP 97 HB2 TRP 97 17.306 -9.963 2.476 645 HB3 TRP 97 HB3 TRP 97 16.528 -9.166 3.829 646 HD1 TRP 97 HD1 TRP 97 19.787 -10.974 2.920 647 HE1 TRP 97 HE1 TRP 97 21.625 -10.653 4.787 648 HE3 TRP 97 HE3 TRP 97 16.700 -8.798 6.326 649 HZ2 TRP 97 HZ2 TRP 97 21.582 -9.551 7.419 650 HZ3 TRP 97 HZ3 TRP 97 17.678 -8.130 8.519 651 HH2 TRP 97 HH2 TRP 97 20.030 -8.475 9.089 652 H LEU 98 H LEU 98 14.847 -13.304 2.910 653 HA LEU 98 HA LEU 98 16.826 -15.209 2.645 654 HB2 LEU 98 HB2 LEU 98 14.075 -15.009 2.256 655 HB3 LEU 98 HB3 LEU 98 14.697 -15.471 0.685 656 HG LEU 98 HG LEU 98 14.043 -17.420 1.992 657 HD11 LEU 98 HD11 LEU 98 15.604 -18.354 0.706 658 HD12 LEU 98 HD12 LEU 98 16.725 -16.990 0.928 659 HD13 LEU 98 HD13 LEU 98 16.666 -18.299 2.133 660 HD21 LEU 98 HD21 LEU 98 14.635 -16.239 4.217 661 HD22 LEU 98 HD22 LEU 98 14.870 -17.999 4.084 662 HD23 LEU 98 HD23 LEU 98 16.266 -16.902 3.953 663 H GLY 99 H GLY 99 15.274 -13.333 -0.060 664 HA2 GLY 99 HA2 GLY 99 16.043 -12.908 -2.143 665 HA3 GLY 99 HA3 GLY 99 17.456 -12.324 -1.288 666 H SER 100 H SER 100 15.957 -15.326 -2.643 667 HA SER 100 HA SER 100 16.810 -17.063 -3.622 668 HB2 SER 100 HB2 SER 100 18.881 -14.990 -4.162 669 HB3 SER 100 HB3 SER 100 19.432 -16.643 -4.353 670 HG SER 100 HG SER 100 18.324 -16.793 -6.174 671 HA PRO 101 HA PRO 101 18.904 -19.070 -0.360 672 HB2 PRO 101 HB2 PRO 101 18.961 -21.611 -1.363 673 HB3 PRO 101 HB3 PRO 101 17.564 -20.932 -0.552 674 HG2 PRO 101 HG2 PRO 101 17.985 -21.402 -3.440 675 HG3 PRO 101 HG3 PRO 101 16.482 -21.135 -2.579 676 HD2 PRO 101 HD2 PRO 101 17.892 -19.235 -4.201 677 HD3 PRO 101 HD3 PRO 101 16.453 -18.935 -3.248 678 HA PRO 102 HA PRO 102 23.034 -19.191 -1.327 679 HB2 PRO 102 HB2 PRO 102 24.085 -20.435 0.867 680 HB3 PRO 102 HB3 PRO 102 23.666 -18.734 0.839 681 HG2 PRO 102 HG2 PRO 102 22.234 -20.975 2.130 682 HG3 PRO 102 HG3 PRO 102 22.084 -19.256 2.434 683 HD2 PRO 102 HD2 PRO 102 20.261 -20.901 0.952 684 HD3 PRO 102 HD3 PRO 102 20.173 -19.163 1.159 685 H SER 103 H SER 103 22.779 -20.457 -3.237 686 HA SER 103 HA SER 103 24.402 -22.672 -3.163 687 HB2 SER 103 HB2 SER 103 22.652 -24.459 -3.688 688 HB3 SER 103 HB3 SER 103 22.734 -23.943 -2.015 689 HG SER 103 HG SER 103 20.602 -23.876 -3.688 690 H SER 104 H SER 104 25.285 -21.970 -5.106 691 HA SER 104 HA SER 104 23.384 -21.707 -7.304 692 HB2 SER 104 HB2 SER 104 24.701 -19.976 -8.252 693 HB3 SER 104 HB3 SER 104 24.659 -19.599 -6.541 694 HG SER 104 HG SER 104 26.807 -19.422 -7.062 Start of MODEL 14 1 H MET 1 H1 MET 1 -19.568 -3.000 4.221 2 HA MET 1 HA MET 1 -22.200 -4.066 4.075 3 HB2 MET 1 HB2 MET 1 -20.543 -2.011 2.753 4 HB3 MET 1 HB3 MET 1 -21.477 -2.910 1.573 5 HG2 MET 1 HG2 MET 1 -23.430 -1.926 2.225 6 HG3 MET 1 HG3 MET 1 -23.115 -2.244 3.919 7 HE1 MET 1 HE1 MET 1 -22.551 1.432 1.468 8 HE2 MET 1 HE2 MET 1 -21.117 0.406 1.225 9 HE3 MET 1 HE3 MET 1 -22.744 -0.251 0.924 10 H GLY 2 H GLY 2 -23.026 -5.235 2.092 11 HA2 GLY 2 HA2 GLY 2 -21.640 -7.611 1.656 12 HA3 GLY 2 HA3 GLY 2 -22.982 -7.002 0.707 13 H LYS 3 H LYS 3 -22.621 -5.982 -1.300 14 HA LYS 3 HA LYS 3 -21.542 -5.411 -3.139 15 HB2 LYS 3 HB2 LYS 3 -20.399 -3.786 -1.657 16 HB3 LYS 3 HB3 LYS 3 -19.135 -4.959 -1.350 17 HG2 LYS 3 HG2 LYS 3 -18.456 -4.973 -3.685 18 HG3 LYS 3 HG3 LYS 3 -19.874 -4.064 -4.170 19 HD2 LYS 3 HD2 LYS 3 -19.057 -2.040 -3.295 20 HD3 LYS 3 HD3 LYS 3 -18.035 -2.836 -2.114 21 HE2 LYS 3 HE2 LYS 3 -16.307 -3.200 -3.634 22 HE3 LYS 3 HE3 LYS 3 -17.392 -3.357 -5.002 23 HZ1 LYS 3 HZ1 LYS 3 -17.798 -0.808 -4.428 24 HZ2 LYS 3 HZ2 LYS 3 -16.287 -0.920 -3.831 25 HZ3 LYS 3 HZ3 LYS 3 -16.579 -1.328 -5.388 26 H GLU 4 H GLU 4 -21.841 -7.517 -4.014 27 HA GLU 4 HA GLU 4 -20.192 -9.646 -3.435 28 HB2 GLU 4 HB2 GLU 4 -22.402 -9.125 -5.108 29 HB3 GLU 4 HB3 GLU 4 -21.147 -9.660 -6.208 30 HG2 GLU 4 HG2 GLU 4 -20.947 -11.414 -3.992 31 HG3 GLU 4 HG3 GLU 4 -22.670 -11.212 -4.238 32 H SER 5 H SER 5 -20.113 -7.433 -6.328 33 HA SER 5 HA SER 5 -18.015 -8.369 -7.623 34 HB2 SER 5 HB2 SER 5 -19.203 -5.705 -7.233 35 HB3 SER 5 HB3 SER 5 -17.502 -5.607 -7.643 36 HG SER 5 HG SER 5 -18.252 -7.344 -9.369 37 H GLY 6 H GLY 6 -15.743 -8.422 -7.459 38 HA2 GLY 6 HA2 GLY 6 -13.681 -7.854 -6.594 39 HA3 GLY 6 HA3 GLY 6 -14.447 -6.971 -5.288 40 H TRP 7 H TRP 7 -12.420 -9.420 -5.660 41 HA TRP 7 HA TRP 7 -13.435 -11.709 -4.615 42 HB2 TRP 7 HB2 TRP 7 -10.794 -10.368 -4.575 43 HB3 TRP 7 HB3 TRP 7 -11.030 -11.644 -3.398 44 HD1 TRP 7 HD1 TRP 7 -12.366 -11.687 -7.063 45 HE1 TRP 7 HE1 TRP 7 -11.411 -13.768 -8.375 46 HE3 TRP 7 HE3 TRP 7 -9.315 -13.304 -3.329 47 HZ2 TRP 7 HZ2 TRP 7 -9.529 -15.810 -7.719 48 HZ3 TRP 7 HZ3 TRP 7 -7.953 -15.349 -3.747 49 HH2 TRP 7 HH2 TRP 7 -8.024 -16.591 -5.851 50 H ASP 8 H ASP 8 -13.223 -12.563 -2.301 51 HA ASP 8 HA ASP 8 -13.985 -10.417 -0.480 52 HB2 ASP 8 HB2 ASP 8 -15.130 -12.373 0.789 53 HB3 ASP 8 HB3 ASP 8 -15.891 -11.805 -0.684 54 H SER 9 H SER 9 -12.332 -10.060 1.009 55 HA SER 9 HA SER 9 -10.298 -11.987 1.345 56 HB2 SER 9 HB2 SER 9 -10.641 -9.210 1.827 57 HB3 SER 9 HB3 SER 9 -10.321 -9.913 3.400 58 HG SER 9 HG SER 9 -8.434 -9.236 1.912 59 H GLY 10 H GLY 10 -10.137 -13.595 2.888 60 HA2 GLY 10 HA2 GLY 10 -12.314 -14.342 4.454 61 HA3 GLY 10 HA3 GLY 10 -10.665 -14.907 4.633 62 H ARG 11 H ARG 11 -11.527 -14.893 7.002 63 HA ARG 11 HA ARG 11 -11.856 -12.398 8.221 64 HB2 ARG 11 HB2 ARG 11 -12.214 -15.090 8.941 65 HB3 ARG 11 HB3 ARG 11 -10.906 -14.577 9.989 66 HG2 ARG 11 HG2 ARG 11 -13.437 -12.913 9.681 67 HG3 ARG 11 HG3 ARG 11 -13.345 -14.229 10.835 68 HD2 ARG 11 HD2 ARG 11 -10.965 -12.791 11.287 69 HD3 ARG 11 HD3 ARG 11 -12.150 -11.537 10.979 70 HE ARG 11 HE ARG 11 -12.018 -13.229 13.323 71 HH11 ARG 11 HH22 ARG 11 -14.327 -11.570 11.208 72 HH12 ARG 11 HH21 ARG 11 -15.544 -11.438 12.434 73 HH21 ARG 11 HH12 ARG 11 -13.607 -13.050 14.905 74 HH22 ARG 11 HH11 ARG 11 -15.124 -12.288 14.552 75 H ALA 12 H ALA 12 -9.187 -14.875 8.450 76 HA ALA 12 HA ALA 12 -7.402 -13.561 9.961 77 HB1 ALA 12 HB1 ALA 12 -7.334 -15.847 8.652 78 HB2 ALA 12 HB2 ALA 12 -6.460 -14.896 7.427 79 HB3 ALA 12 HB3 ALA 12 -5.815 -15.024 9.081 80 H ALA 13 H ALA 13 -8.397 -12.775 6.639 81 HA ALA 13 HA ALA 13 -6.381 -11.266 5.698 82 HB1 ALA 13 HB1 ALA 13 -8.617 -11.737 4.636 83 HB2 ALA 13 HB2 ALA 13 -9.313 -10.453 5.655 84 HB3 ALA 13 HB3 ALA 13 -8.066 -10.055 4.449 85 H VAL 14 H VAL 14 -9.014 -10.040 7.891 86 HA VAL 14 HA VAL 14 -8.145 -7.498 8.220 87 HB VAL 14 HB VAL 14 -10.145 -8.885 9.191 88 HG11 VAL 14 HG11 VAL 14 -8.172 -8.918 11.500 89 HG12 VAL 14 HG12 VAL 14 -9.913 -9.265 11.636 90 HG13 VAL 14 HG13 VAL 14 -8.867 -10.329 10.665 91 HG21 VAL 14 HG21 VAL 14 -9.450 -6.322 9.350 92 HG22 VAL 14 HG22 VAL 14 -10.809 -6.984 10.289 93 HG23 VAL 14 HG23 VAL 14 -9.226 -6.741 11.065 94 H ALA 15 H ALA 15 -6.998 -10.444 9.985 95 HA ALA 15 HA ALA 15 -5.270 -9.182 11.721 96 HB1 ALA 15 HB1 ALA 15 -6.021 -11.764 11.128 97 HB2 ALA 15 HB2 ALA 15 -4.323 -11.746 10.594 98 HB3 ALA 15 HB3 ALA 15 -4.732 -11.316 12.272 99 H ALA 16 H ALA 16 -4.748 -10.307 8.323 100 HA ALA 16 HA ALA 16 -2.034 -9.657 8.222 101 HB1 ALA 16 HB1 ALA 16 -2.439 -10.843 6.350 102 HB2 ALA 16 HB2 ALA 16 -4.183 -10.495 6.427 103 HB3 ALA 16 HB3 ALA 16 -3.079 -9.342 5.639 104 H VAL 17 H VAL 17 -4.999 -7.722 7.997 105 HA VAL 17 HA VAL 17 -3.627 -5.456 6.881 106 HB VAL 17 HB VAL 17 -6.403 -5.924 7.974 107 HG11 VAL 17 HG11 VAL 17 -7.018 -3.712 7.182 108 HG12 VAL 17 HG12 VAL 17 -5.694 -3.576 8.364 109 HG13 VAL 17 HG13 VAL 17 -5.354 -3.414 6.624 110 HG21 VAL 17 HG21 VAL 17 -7.123 -5.919 5.707 111 HG22 VAL 17 HG22 VAL 17 -5.545 -5.329 5.130 112 HG23 VAL 17 HG23 VAL 17 -5.696 -6.981 5.775 113 H VAL 18 H VAL 18 -4.167 -6.883 10.023 114 HA VAL 18 HA VAL 18 -3.868 -4.408 11.449 115 HB VAL 18 HB VAL 18 -4.058 -7.319 12.189 116 HG11 VAL 18 HG11 VAL 18 -2.614 -6.665 13.879 117 HG12 VAL 18 HG12 VAL 18 -3.227 -4.994 13.906 118 HG13 VAL 18 HG13 VAL 18 -4.200 -6.311 14.605 119 HG21 VAL 18 HG21 VAL 18 -5.873 -4.990 12.088 120 HG22 VAL 18 HG22 VAL 18 -6.226 -6.731 11.973 121 HG23 VAL 18 HG23 VAL 18 -5.997 -5.973 13.567 122 H GLY 19 H GLY 19 -1.886 -7.415 10.959 123 HA2 GLY 19 HA2 GLY 19 0.398 -6.497 12.285 124 HA3 GLY 19 HA3 GLY 19 0.332 -7.755 11.066 125 H GLY 20 H GLY 20 0.578 -4.203 11.578 126 HA2 GLY 20 HA2 GLY 20 2.591 -3.734 9.788 127 HA3 GLY 20 HA3 GLY 20 1.132 -3.621 8.826 128 H VAL 21 H VAL 21 1.575 -2.766 12.313 129 HA VAL 21 HA VAL 21 0.196 -0.337 12.004 130 HB VAL 21 HB VAL 21 1.997 -1.415 14.180 131 HG11 VAL 21 HG11 VAL 21 0.863 1.231 13.842 132 HG12 VAL 21 HG12 VAL 21 0.188 0.434 15.284 133 HG13 VAL 21 HG13 VAL 21 1.951 0.615 15.109 134 HG21 VAL 21 HG21 VAL 21 -0.106 -2.691 13.624 135 HG22 VAL 21 HG22 VAL 21 -0.013 -2.084 15.295 136 HG23 VAL 21 HG23 VAL 21 -1.030 -1.246 14.099 137 H VAL 22 H VAL 22 3.662 -0.794 13.003 138 HA VAL 22 HA VAL 22 4.463 1.772 12.571 139 HB VAL 22 HB VAL 22 6.723 0.819 12.324 140 HG11 VAL 22 HG11 VAL 22 5.227 -0.719 14.456 141 HG12 VAL 22 HG12 VAL 22 6.872 -0.042 14.518 142 HG13 VAL 22 HG13 VAL 22 5.461 1.043 14.543 143 HG21 VAL 22 HG21 VAL 22 7.015 -1.645 12.437 144 HG22 VAL 22 HG22 VAL 22 5.260 -1.840 12.219 145 HG23 VAL 22 HG23 VAL 22 6.241 -1.109 10.927 146 H ALA 23 H ALA 23 4.360 -0.959 10.198 147 HA ALA 23 HA ALA 23 5.514 0.327 8.065 148 HB1 ALA 23 HB1 ALA 23 4.050 -2.063 8.599 149 HB2 ALA 23 HB2 ALA 23 3.311 -1.299 7.171 150 HB3 ALA 23 HB3 ALA 23 5.050 -1.681 7.176 151 H VAL 24 H VAL 24 2.114 0.437 9.267 152 HA VAL 24 HA VAL 24 1.150 1.980 7.120 153 HB VAL 24 HB VAL 24 0.210 1.436 9.932 154 HG11 VAL 24 HG11 VAL 24 -1.913 2.502 9.388 155 HG12 VAL 24 HG12 VAL 24 -0.584 3.678 9.248 156 HG13 VAL 24 HG13 VAL 24 -1.298 2.963 7.782 157 HG21 VAL 24 HG21 VAL 24 0.200 -0.163 7.714 158 HG22 VAL 24 HG22 VAL 24 -0.952 -0.292 9.064 159 HG23 VAL 24 HG23 VAL 24 -1.398 0.610 7.596 160 H GLY 25 H GLY 25 2.843 2.722 10.164 161 HA2 GLY 25 HA2 GLY 25 2.251 5.497 10.211 162 HA3 GLY 25 HA3 GLY 25 3.535 4.667 11.068 163 H THR 26 H THR 26 5.020 3.526 8.938 164 HA THR 26 HA THR 26 6.580 5.720 8.155 165 HB THR 26 HB THR 26 6.405 2.784 7.328 166 HG1 THR 26 HG1 THR 26 8.318 4.471 8.780 167 HG21 THR 26 HG21 THR 26 8.005 5.006 6.161 168 HG22 THR 26 HG22 THR 26 8.989 3.658 6.779 169 HG23 THR 26 HG23 THR 26 7.745 3.357 5.543 170 H VAL 27 H VAL 27 4.250 3.688 6.265 171 HA VAL 27 HA VAL 27 4.598 5.103 3.886 172 HB VAL 27 HB VAL 27 2.521 4.027 3.212 173 HG11 VAL 27 HG11 VAL 27 3.629 2.104 2.940 174 HG12 VAL 27 HG12 VAL 27 4.878 2.758 4.027 175 HG13 VAL 27 HG13 VAL 27 3.569 1.745 4.683 176 HG21 VAL 27 HG21 VAL 27 1.144 4.308 5.162 177 HG22 VAL 27 HG22 VAL 27 1.309 2.563 4.852 178 HG23 VAL 27 HG23 VAL 27 2.252 3.329 6.153 179 H LEU 28 H LEU 28 2.529 5.639 6.761 180 HA LEU 28 HA LEU 28 0.891 7.595 5.612 181 HB2 LEU 28 HB2 LEU 28 0.409 6.352 7.677 182 HB3 LEU 28 HB3 LEU 28 1.715 7.191 8.491 183 HG LEU 28 HG LEU 28 0.214 9.293 7.551 184 HD11 LEU 28 HD11 LEU 28 -1.585 7.934 6.733 185 HD12 LEU 28 HD12 LEU 28 -1.687 7.048 8.273 186 HD13 LEU 28 HD13 LEU 28 -2.136 8.769 8.206 187 HD21 LEU 28 HD21 LEU 28 0.183 7.851 10.206 188 HD22 LEU 28 HD22 LEU 28 1.110 9.296 9.737 189 HD23 LEU 28 HD23 LEU 28 -0.657 9.396 9.931 190 H VAL 29 H VAL 29 3.639 8.078 7.947 191 HA VAL 29 HA VAL 29 3.834 10.792 7.604 192 HB VAL 29 HB VAL 29 4.922 9.298 9.313 193 HG11 VAL 29 HG11 VAL 29 7.173 8.433 8.818 194 HG12 VAL 29 HG12 VAL 29 5.937 7.671 7.787 195 HG13 VAL 29 HG13 VAL 29 6.994 8.939 7.121 196 HG21 VAL 29 HG21 VAL 29 5.705 11.801 8.279 197 HG22 VAL 29 HG22 VAL 29 6.049 11.134 9.893 198 HG23 VAL 29 HG23 VAL 29 7.212 10.899 8.567 199 H ALA 30 H ALA 30 4.855 8.147 5.485 200 HA ALA 30 HA ALA 30 6.703 9.627 3.960 201 HB1 ALA 30 HB1 ALA 30 5.121 7.079 3.628 202 HB2 ALA 30 HB2 ALA 30 6.033 7.743 2.251 203 HB3 ALA 30 HB3 ALA 30 6.882 7.308 3.754 204 H LEU 31 H LEU 31 3.185 8.849 3.523 205 HA LEU 31 HA LEU 31 2.905 10.241 1.125 206 HB2 LEU 31 HB2 LEU 31 1.377 8.527 2.238 207 HB3 LEU 31 HB3 LEU 31 0.754 9.854 3.198 208 HG LEU 31 HG LEU 31 0.712 9.782 0.169 209 HD11 LEU 31 HD11 LEU 31 -1.555 9.191 2.091 210 HD12 LEU 31 HD12 LEU 31 -1.634 9.206 0.312 211 HD13 LEU 31 HD13 LEU 31 -0.658 7.975 1.149 212 HD21 LEU 31 HD21 LEU 31 0.542 12.016 0.640 213 HD22 LEU 31 HD22 LEU 31 -1.171 11.541 0.730 214 HD23 LEU 31 HD23 LEU 31 -0.223 11.744 2.224 215 H SER 32 H SER 32 2.839 11.277 4.547 216 HA SER 32 HA SER 32 1.798 13.819 3.976 217 HB2 SER 32 HB2 SER 32 2.088 14.256 6.262 218 HB3 SER 32 HB3 SER 32 1.932 12.511 6.238 219 HG SER 32 HG SER 32 4.202 14.122 6.783 220 H ALA 33 H ALA 33 5.088 12.399 4.211 221 HA ALA 33 HA ALA 33 6.674 14.570 4.392 222 HB1 ALA 33 HB1 ALA 33 8.355 13.237 3.395 223 HB2 ALA 33 HB2 ALA 33 7.223 12.059 4.102 224 HB3 ALA 33 HB3 ALA 33 7.188 12.389 2.353 225 H MET 34 H MET 34 5.007 13.350 1.421 226 HA MET 34 HA MET 34 6.053 15.518 -0.104 227 HB2 MET 34 HB2 MET 34 5.108 12.982 -0.681 228 HB3 MET 34 HB3 MET 34 3.696 13.935 -1.090 229 HG2 MET 34 HG2 MET 34 5.738 15.415 -2.268 230 HG3 MET 34 HG3 MET 34 6.327 13.776 -2.463 231 HE1 MET 34 HE1 MET 34 3.957 11.840 -4.258 232 HE2 MET 34 HE2 MET 34 5.256 12.609 -5.201 233 HE3 MET 34 HE3 MET 34 5.553 12.110 -3.518 234 H GLY 35 H GLY 35 4.876 16.772 1.984 235 HA2 GLY 35 HA2 GLY 35 2.895 18.383 0.757 236 HA3 GLY 35 HA3 GLY 35 2.148 17.281 1.896 237 H PHE 36 H PHE 36 4.369 17.087 3.785 238 HA PHE 36 HA PHE 36 5.205 18.101 5.555 239 HB2 PHE 36 HB2 PHE 36 6.045 19.639 3.558 240 HB3 PHE 36 HB3 PHE 36 4.803 20.759 4.082 241 HD1 PHE 36 HD1 PHE 36 7.710 18.851 5.433 242 HD2 PHE 36 HD2 PHE 36 5.331 22.357 5.672 243 HE1 PHE 36 HE1 PHE 36 9.289 19.807 7.134 244 HE2 PHE 36 HE2 PHE 36 6.910 23.313 7.373 245 HZ PHE 36 HZ PHE 36 8.870 22.026 8.084 246 H THR 37 H THR 37 4.521 19.142 7.508 247 HA THR 37 HA THR 37 3.013 19.850 8.981 248 HB THR 37 HB THR 37 2.236 21.512 6.536 249 HG1 THR 37 HG1 THR 37 4.050 22.473 7.365 250 HG21 THR 37 HG21 THR 37 0.318 21.391 8.213 251 HG22 THR 37 HG22 THR 37 1.449 21.967 9.461 252 HG23 THR 37 HG23 THR 37 1.046 23.009 8.075 253 H SER 38 H SER 38 1.018 19.308 9.882 254 HA SER 38 HA SER 38 -1.167 18.553 8.381 255 HB2 SER 38 HB2 SER 38 0.841 16.552 8.351 256 HB3 SER 38 HB3 SER 38 -0.344 15.985 9.511 257 HG SER 38 HG SER 38 -1.861 16.821 7.554 258 H VAL 39 H VAL 39 0.845 18.076 11.315 259 HA VAL 39 HA VAL 39 -1.026 17.189 13.092 260 HB VAL 39 HB VAL 39 0.383 18.715 14.704 261 HG11 VAL 39 HG11 VAL 39 1.086 16.635 15.121 262 HG12 VAL 39 HG12 VAL 39 0.822 16.137 13.433 263 HG13 VAL 39 HG13 VAL 39 2.359 16.901 13.905 264 HG21 VAL 39 HG21 VAL 39 1.317 19.665 12.252 265 HG22 VAL 39 HG22 VAL 39 2.056 19.928 13.849 266 HG23 VAL 39 HG23 VAL 39 2.607 18.580 12.825 267 H GLY 40 H GLY 40 -0.041 20.671 13.104 268 HA2 GLY 40 HA2 GLY 40 -2.025 21.803 14.440 269 HA3 GLY 40 HA3 GLY 40 -1.349 22.538 13.000 270 H ILE 41 H ILE 41 -2.303 21.679 10.820 271 HA ILE 41 HA ILE 41 -4.870 22.366 10.557 272 HB ILE 41 HB ILE 41 -3.481 22.013 8.672 273 HG12 ILE 41 HG12 ILE 41 -5.054 20.113 7.500 274 HG13 ILE 41 HG13 ILE 41 -6.055 20.567 8.865 275 HG21 ILE 41 HG21 ILE 41 -2.575 19.939 7.961 276 HG22 ILE 41 HG22 ILE 41 -2.202 20.093 9.694 277 HG23 ILE 41 HG23 ILE 41 -3.525 19.029 9.160 278 HD11 ILE 41 HD11 ILE 41 -5.265 22.164 6.479 279 HD12 ILE 41 HD12 ILE 41 -6.736 22.259 7.476 280 HD13 ILE 41 HD13 ILE 41 -5.238 23.049 8.023 281 H ALA 42 H ALA 42 -3.684 19.023 11.296 282 HA ALA 42 HA ALA 42 -6.094 17.729 11.298 283 HB1 ALA 42 HB1 ALA 42 -4.979 16.046 12.534 284 HB2 ALA 42 HB2 ALA 42 -3.681 16.865 11.632 285 HB3 ALA 42 HB3 ALA 42 -3.929 17.224 13.357 286 H ALA 43 H ALA 43 -4.479 19.416 14.083 287 HA ALA 43 HA ALA 43 -6.484 18.971 15.930 288 HB1 ALA 43 HB1 ALA 43 -5.389 21.502 16.489 289 HB2 ALA 43 HB2 ALA 43 -4.812 19.930 17.092 290 HB3 ALA 43 HB3 ALA 43 -4.108 20.629 15.615 291 H SER 44 H SER 44 -6.248 21.279 13.230 292 HA SER 44 HA SER 44 -8.295 22.957 14.139 293 HB2 SER 44 HB2 SER 44 -6.489 22.840 11.945 294 HB3 SER 44 HB3 SER 44 -8.089 22.870 11.231 295 HG SER 44 HG SER 44 -7.906 24.991 11.549 296 H SER 45 H SER 45 -8.241 20.483 11.458 297 HA SER 45 HA SER 45 -10.906 20.537 10.930 298 HB2 SER 45 HB2 SER 45 -8.642 18.749 10.408 299 HB3 SER 45 HB3 SER 45 -10.134 17.845 10.572 300 HG SER 45 HG SER 45 -10.173 18.403 8.446 301 H ILE 46 H ILE 46 -9.147 18.144 13.046 302 HA ILE 46 HA ILE 46 -11.292 16.754 13.966 303 HB ILE 46 HB ILE 46 -8.684 17.523 15.249 304 HG12 ILE 46 HG12 ILE 46 -8.538 16.058 13.316 305 HG13 ILE 46 HG13 ILE 46 -8.104 15.191 14.776 306 HG21 ILE 46 HG21 ILE 46 -9.100 15.873 16.998 307 HG22 ILE 46 HG22 ILE 46 -10.301 17.186 17.059 308 HG23 ILE 46 HG23 ILE 46 -10.745 15.604 16.372 309 HD11 ILE 46 HD11 ILE 46 -10.916 14.862 14.521 310 HD12 ILE 46 HD12 ILE 46 -10.244 14.629 12.889 311 HD13 ILE 46 HD13 ILE 46 -9.657 13.634 14.244 312 H ALA 47 H ALA 47 -9.901 19.789 15.393 313 HA ALA 47 HA ALA 47 -11.617 20.066 17.496 314 HB1 ALA 47 HB1 ALA 47 -11.242 22.621 16.913 315 HB2 ALA 47 HB2 ALA 47 -9.876 21.603 17.428 316 HB3 ALA 47 HB3 ALA 47 -10.117 21.961 15.702 317 H ALA 48 H ALA 48 -12.089 21.116 14.061 318 HA ALA 48 HA ALA 48 -14.611 22.263 14.504 319 HB1 ALA 48 HB1 ALA 48 -13.156 22.727 12.555 320 HB2 ALA 48 HB2 ALA 48 -13.396 21.059 11.983 321 HB3 ALA 48 HB3 ALA 48 -14.773 22.184 12.048 322 H LYS 49 H LYS 49 -13.666 19.045 13.089 323 HA LYS 49 HA LYS 49 -14.723 17.109 13.031 324 HB2 LYS 49 HB2 LYS 49 -14.980 17.875 15.595 325 HB3 LYS 49 HB3 LYS 49 -16.678 17.807 15.170 326 HG2 LYS 49 HG2 LYS 49 -16.630 15.502 14.732 327 HG3 LYS 49 HG3 LYS 49 -14.927 15.504 14.317 328 HD2 LYS 49 HD2 LYS 49 -15.017 16.351 17.025 329 HD3 LYS 49 HD3 LYS 49 -16.193 15.057 16.920 330 HE2 LYS 49 HE2 LYS 49 -14.451 13.603 17.067 331 HE3 LYS 49 HE3 LYS 49 -14.030 14.066 15.431 332 HZ1 LYS 49 HZ1 LYS 49 -13.102 15.819 17.585 333 HZ2 LYS 49 HZ2 LYS 49 -12.341 14.389 17.420 334 HZ3 LYS 49 HZ3 LYS 49 -12.416 15.422 16.153 335 H MET 50 H MET 50 -16.140 16.358 11.529 336 HA MET 50 HA MET 50 -18.765 17.234 11.363 337 HB2 MET 50 HB2 MET 50 -18.651 18.540 9.240 338 HB3 MET 50 HB3 MET 50 -17.699 19.328 10.482 339 HG2 MET 50 HG2 MET 50 -15.951 19.286 9.026 340 HG3 MET 50 HG3 MET 50 -15.866 17.556 9.295 341 HE1 MET 50 HE1 MET 50 -16.356 16.122 6.066 342 HE2 MET 50 HE2 MET 50 -14.962 17.150 6.477 343 HE3 MET 50 HE3 MET 50 -15.714 16.129 7.726 344 H MET 51 H MET 51 -19.881 16.318 9.346 345 HA MET 51 HA MET 51 -18.280 14.131 8.267 346 HB2 MET 51 HB2 MET 51 -20.431 13.894 10.059 347 HB3 MET 51 HB3 MET 51 -21.212 13.654 8.509 348 HG2 MET 51 HG2 MET 51 -18.646 12.181 8.774 349 HG3 MET 51 HG3 MET 51 -19.855 11.690 9.944 350 HE1 MET 51 HE1 MET 51 -19.021 9.646 8.562 351 HE2 MET 51 HE2 MET 51 -20.084 8.945 7.319 352 HE3 MET 51 HE3 MET 51 -18.731 9.998 6.842 353 H SER 52 H SER 52 -21.403 15.960 7.881 354 HA SER 52 HA SER 52 -21.605 15.316 5.166 355 HB2 SER 52 HB2 SER 52 -23.296 16.368 7.048 356 HB3 SER 52 HB3 SER 52 -22.910 17.818 6.144 357 HG SER 52 HG SER 52 -24.105 17.133 4.501 358 H THR 53 H THR 53 -20.769 16.332 3.344 359 HA THR 53 HA THR 53 -18.563 17.871 3.389 360 HB THR 53 HB THR 53 -20.896 17.717 1.424 361 HG1 THR 53 HG1 THR 53 -19.659 15.955 0.900 362 HG21 THR 53 HG21 THR 53 -19.684 19.822 0.914 363 HG22 THR 53 HG22 THR 53 -18.125 18.975 1.057 364 HG23 THR 53 HG23 THR 53 -19.238 18.573 -0.272 365 H ALA 54 H ALA 54 -17.953 19.846 4.008 366 HA ALA 54 HA ALA 54 -19.622 21.556 5.349 367 HB1 ALA 54 HB1 ALA 54 -17.483 22.171 5.771 368 HB2 ALA 54 HB2 ALA 54 -16.908 21.594 4.188 369 HB3 ALA 54 HB3 ALA 54 -17.651 23.205 4.332 370 H ALA 55 H ALA 55 -18.376 21.991 1.954 371 HA ALA 55 HA ALA 55 -20.948 22.883 1.087 372 HB1 ALA 55 HB1 ALA 55 -20.095 25.161 0.402 373 HB2 ALA 55 HB2 ALA 55 -20.279 24.943 2.159 374 HB3 ALA 55 HB3 ALA 55 -18.663 24.865 1.416 375 H ILE 56 H ILE 56 -17.405 23.258 0.331 376 HA ILE 56 HA ILE 56 -17.533 21.390 -1.772 377 HB ILE 56 HB ILE 56 -18.834 23.281 -2.762 378 HG12 ILE 56 HG12 ILE 56 -16.914 23.334 -4.766 379 HG13 ILE 56 HG13 ILE 56 -16.544 21.855 -3.902 380 HG21 ILE 56 HG21 ILE 56 -16.198 24.737 -2.967 381 HG22 ILE 56 HG22 ILE 56 -17.833 25.322 -3.358 382 HG23 ILE 56 HG23 ILE 56 -17.366 25.053 -1.661 383 HD11 ILE 56 HD11 ILE 56 -18.335 21.800 -5.828 384 HD12 ILE 56 HD12 ILE 56 -18.663 20.909 -4.322 385 HD13 ILE 56 HD13 ILE 56 -19.421 22.495 -4.601 386 H ALA 57 H ALA 57 -15.472 20.679 -2.219 387 HA ALA 57 HA ALA 57 -13.218 22.382 -1.894 388 HB1 ALA 57 HB1 ALA 57 -12.208 21.186 0.010 389 HB2 ALA 57 HB2 ALA 57 -13.741 21.954 0.486 390 HB3 ALA 57 HB3 ALA 57 -13.681 20.201 0.182 391 H ASN 58 H ASN 58 -13.277 21.542 -4.162 392 HA ASN 58 HA ASN 58 -12.567 20.233 -5.737 393 HB2 ASN 58 HB2 ASN 58 -10.476 20.290 -4.153 394 HB3 ASN 58 HB3 ASN 58 -10.929 18.660 -3.698 395 HD21 ASN 58 HD21 ASN 58 -9.753 20.747 -6.212 396 HD22 ASN 58 HD22 ASN 58 -9.242 19.533 -7.336 397 H GLY 59 H GLY 59 -14.548 19.087 -6.176 398 HA2 GLY 59 HA2 GLY 59 -15.868 17.281 -6.395 399 HA3 GLY 59 HA3 GLY 59 -14.534 16.299 -5.823 400 H GLY 60 H GLY 60 -14.457 15.590 -3.660 401 HA2 GLY 60 HA2 GLY 60 -15.405 16.414 -1.384 402 HA3 GLY 60 HA3 GLY 60 -16.935 16.043 -2.152 403 H GLY 61 H GLY 61 -13.653 14.549 -1.666 404 HA2 GLY 61 HA2 GLY 61 -13.041 12.411 -1.308 405 HA3 GLY 61 HA3 GLY 61 -14.414 12.363 -0.220 406 H VAL 62 H VAL 62 -14.354 9.997 -0.964 407 HA VAL 62 HA VAL 62 -15.195 8.319 -2.130 408 HB VAL 62 HB VAL 62 -17.177 10.466 -2.898 409 HG11 VAL 62 HG11 VAL 62 -18.268 7.796 -2.980 410 HG12 VAL 62 HG12 VAL 62 -18.237 9.044 -4.249 411 HG13 VAL 62 HG13 VAL 62 -16.871 7.915 -4.078 412 HG21 VAL 62 HG21 VAL 62 -18.588 9.341 -1.173 413 HG22 VAL 62 HG22 VAL 62 -17.196 8.313 -0.757 414 HG23 VAL 62 HG23 VAL 62 -17.106 10.074 -0.513 415 H ALA 63 H ALA 63 -13.060 8.537 -3.333 416 HA ALA 63 HA ALA 63 -11.916 8.440 -5.223 417 HB1 ALA 63 HB1 ALA 63 -13.436 6.837 -6.055 418 HB2 ALA 63 HB2 ALA 63 -14.735 8.038 -6.255 419 HB3 ALA 63 HB3 ALA 63 -13.338 8.045 -7.358 420 H ALA 64 H ALA 64 -11.685 9.585 -7.537 421 HA ALA 64 HA ALA 64 -11.365 11.482 -8.626 422 HB1 ALA 64 HB1 ALA 64 -13.599 11.815 -9.109 423 HB2 ALA 64 HB2 ALA 64 -14.072 11.889 -7.394 424 HB3 ALA 64 HB3 ALA 64 -13.278 13.286 -8.160 425 H GLY 65 H GLY 65 -9.518 11.396 -6.888 426 HA2 GLY 65 HA2 GLY 65 -9.278 14.075 -5.840 427 HA3 GLY 65 HA3 GLY 65 -9.388 12.837 -4.605 428 H SER 66 H SER 66 -7.066 14.499 -5.066 429 HA SER 66 HA SER 66 -5.152 13.500 -6.668 430 HB2 SER 66 HB2 SER 66 -5.282 15.335 -4.570 431 HB3 SER 66 HB3 SER 66 -4.132 14.156 -3.971 432 HG SER 66 HG SER 66 -2.711 15.182 -5.196 433 H LEU 67 H LEU 67 -6.197 12.302 -3.430 434 HA LEU 67 HA LEU 67 -4.224 10.515 -2.881 435 HB2 LEU 67 HB2 LEU 67 -6.347 11.190 -1.594 436 HB3 LEU 67 HB3 LEU 67 -7.133 9.884 -2.459 437 HG LEU 67 HG LEU 67 -6.432 9.175 -0.239 438 HD11 LEU 67 HD11 LEU 67 -5.912 7.098 -0.913 439 HD12 LEU 67 HD12 LEU 67 -6.102 7.772 -2.549 440 HD13 LEU 67 HD13 LEU 67 -4.481 7.635 -1.825 441 HD21 LEU 67 HD21 LEU 67 -4.475 10.781 -0.132 442 HD22 LEU 67 HD22 LEU 67 -4.200 9.154 0.535 443 HD23 LEU 67 HD23 LEU 67 -3.554 9.579 -1.068 444 H VAL 68 H VAL 68 -7.048 10.094 -5.093 445 HA VAL 68 HA VAL 68 -6.777 7.456 -5.693 446 HB VAL 68 HB VAL 68 -7.439 9.761 -7.536 447 HG11 VAL 68 HG11 VAL 68 -6.897 7.565 -8.671 448 HG12 VAL 68 HG12 VAL 68 -8.297 6.867 -7.821 449 HG13 VAL 68 HG13 VAL 68 -8.531 8.202 -8.975 450 HG21 VAL 68 HG21 VAL 68 -9.104 8.104 -5.626 451 HG22 VAL 68 HG22 VAL 68 -8.915 9.873 -5.688 452 HG23 VAL 68 HG23 VAL 68 -9.819 9.029 -6.968 453 H ALA 69 H ALA 69 -4.964 10.251 -7.108 454 HA ALA 69 HA ALA 69 -3.521 8.812 -8.979 455 HB1 ALA 69 HB1 ALA 69 -2.449 11.174 -7.407 456 HB2 ALA 69 HB2 ALA 69 -2.154 10.749 -9.110 457 HB3 ALA 69 HB3 ALA 69 -3.752 11.352 -8.607 458 H ILE 70 H ILE 70 -2.938 9.398 -5.470 459 HA ILE 70 HA ILE 70 -0.383 8.246 -5.422 460 HB ILE 70 HB ILE 70 -2.490 8.802 -3.353 461 HG12 ILE 70 HG12 ILE 70 0.209 10.005 -3.219 462 HG13 ILE 70 HG13 ILE 70 -0.730 10.457 -4.628 463 HG21 ILE 70 HG21 ILE 70 -0.666 8.276 -1.665 464 HG22 ILE 70 HG22 ILE 70 -1.460 6.886 -2.442 465 HG23 ILE 70 HG23 ILE 70 0.159 7.399 -2.976 466 HD11 ILE 70 HD11 ILE 70 -2.478 11.401 -3.330 467 HD12 ILE 70 HD12 ILE 70 -1.984 10.520 -1.864 468 HD13 ILE 70 HD13 ILE 70 -1.002 11.881 -2.457 469 H LEU 71 H LEU 71 -3.636 6.884 -4.540 470 HA LEU 71 HA LEU 71 -2.807 4.347 -3.939 471 HB2 LEU 71 HB2 LEU 71 -5.003 4.993 -3.440 472 HB3 LEU 71 HB3 LEU 71 -5.349 5.458 -5.093 473 HG LEU 71 HG LEU 71 -4.688 2.590 -4.584 474 HD11 LEU 71 HD11 LEU 71 -6.941 4.007 -3.320 475 HD12 LEU 71 HD12 LEU 71 -7.393 2.551 -4.240 476 HD13 LEU 71 HD13 LEU 71 -6.194 2.439 -2.929 477 HD21 LEU 71 HD21 LEU 71 -5.165 3.610 -6.854 478 HD22 LEU 71 HD22 LEU 71 -6.128 2.179 -6.413 479 HD23 LEU 71 HD23 LEU 71 -6.850 3.803 -6.313 480 H GLN 72 H GLN 72 -3.446 5.839 -7.149 481 HA GLN 72 HA GLN 72 -3.318 3.528 -8.626 482 HB2 GLN 72 HB2 GLN 72 -3.824 6.090 -9.227 483 HB3 GLN 72 HB3 GLN 72 -2.143 6.077 -9.723 484 HG2 GLN 72 HG2 GLN 72 -4.106 3.945 -10.662 485 HG3 GLN 72 HG3 GLN 72 -3.917 5.464 -11.516 486 HE21 GLN 72 HE21 GLN 72 -2.688 2.350 -10.935 487 HE22 GLN 72 HE22 GLN 72 -1.248 2.423 -11.895 488 H SER 73 H SER 73 -0.650 5.988 -8.293 489 HA SER 73 HA SER 73 1.276 4.331 -9.351 490 HB2 SER 73 HB2 SER 73 1.191 6.888 -7.847 491 HB3 SER 73 HB3 SER 73 2.695 6.008 -7.658 492 HG SER 73 HG SER 73 2.716 7.471 -9.501 493 H VAL 74 H VAL 74 1.119 5.394 -5.871 494 HA VAL 74 HA VAL 74 2.831 3.650 -4.785 495 HB VAL 74 HB VAL 74 1.195 5.487 -3.823 496 HG11 VAL 74 HG11 VAL 74 -0.618 4.664 -2.522 497 HG12 VAL 74 HG12 VAL 74 -0.795 3.940 -4.139 498 HG13 VAL 74 HG13 VAL 74 -0.143 2.970 -2.796 499 HG21 VAL 74 HG21 VAL 74 2.984 4.968 -2.467 500 HG22 VAL 74 HG22 VAL 74 1.640 4.342 -1.483 501 HG23 VAL 74 HG23 VAL 74 2.621 3.226 -2.463 502 H GLY 75 H GLY 75 -0.404 2.933 -6.077 503 HA2 GLY 75 HA2 GLY 75 -0.739 0.393 -4.895 504 HA3 GLY 75 HA3 GLY 75 -1.530 1.003 -6.335 505 H ALA 76 H ALA 76 0.417 1.387 -8.204 506 HA ALA 76 HA ALA 76 1.094 -1.280 -8.897 507 HB1 ALA 76 HB1 ALA 76 1.495 -0.379 -10.967 508 HB2 ALA 76 HB2 ALA 76 0.558 0.974 -10.287 509 HB3 ALA 76 HB3 ALA 76 2.336 1.043 -10.305 510 H ALA 77 H ALA 77 3.149 1.673 -8.331 511 HA ALA 77 HA ALA 77 5.574 0.427 -8.335 512 HB1 ALA 77 HB1 ALA 77 6.355 2.363 -7.080 513 HB2 ALA 77 HB2 ALA 77 5.114 2.887 -8.243 514 HB3 ALA 77 HB3 ALA 77 4.702 2.711 -6.521 515 H GLY 78 H GLY 78 3.293 0.874 -5.555 516 HA2 GLY 78 HA2 GLY 78 4.886 -0.297 -3.587 517 HA3 GLY 78 HA3 GLY 78 3.137 -0.188 -3.582 518 H LEU 79 H LEU 79 1.937 -1.847 -5.022 519 HA LEU 79 HA LEU 79 2.361 -4.359 -4.179 520 HB2 LEU 79 HB2 LEU 79 0.385 -3.528 -5.378 521 HB3 LEU 79 HB3 LEU 79 1.288 -3.531 -6.880 522 HG LEU 79 HG LEU 79 1.648 -6.080 -6.341 523 HD11 LEU 79 HD11 LEU 79 -0.453 -5.261 -4.403 524 HD12 LEU 79 HD12 LEU 79 -0.709 -6.787 -5.283 525 HD13 LEU 79 HD13 LEU 79 0.764 -6.557 -4.310 526 HD21 LEU 79 HD21 LEU 79 -0.245 -6.630 -7.700 527 HD22 LEU 79 HD22 LEU 79 -1.068 -5.112 -7.266 528 HD23 LEU 79 HD23 LEU 79 0.407 -5.071 -8.262 529 H SER 80 H SER 80 4.073 -2.657 -6.800 530 HA SER 80 HA SER 80 5.222 -4.903 -7.945 531 HB2 SER 80 HB2 SER 80 5.580 -3.114 -9.326 532 HB3 SER 80 HB3 SER 80 5.629 -1.968 -8.001 533 HG SER 80 HG SER 80 7.699 -2.755 -9.386 534 H VAL 81 H VAL 81 7.139 -2.408 -6.144 535 HA VAL 81 HA VAL 81 9.268 -3.943 -5.528 536 HB VAL 81 HB VAL 81 8.650 -1.441 -5.092 537 HG11 VAL 81 HG11 VAL 81 7.752 -0.829 -3.099 538 HG12 VAL 81 HG12 VAL 81 7.024 -2.452 -3.185 539 HG13 VAL 81 HG13 VAL 81 8.496 -2.186 -2.220 540 HG21 VAL 81 HG21 VAL 81 10.612 -1.196 -3.725 541 HG22 VAL 81 HG22 VAL 81 10.485 -2.875 -3.146 542 HG23 VAL 81 HG23 VAL 81 10.891 -2.549 -4.848 543 H THR 82 H THR 82 6.017 -4.108 -4.158 544 HA THR 82 HA THR 82 6.675 -5.467 -1.781 545 HB THR 82 HB THR 82 4.211 -5.078 -3.518 546 HG1 THR 82 HG1 THR 82 5.203 -4.494 -0.820 547 HG21 THR 82 HG21 THR 82 3.418 -6.092 -0.986 548 HG22 THR 82 HG22 THR 82 3.187 -6.886 -2.563 549 HG23 THR 82 HG23 THR 82 4.632 -7.247 -1.588 550 H SER 83 H SER 83 4.823 -7.046 -4.430 551 HA SER 83 HA SER 83 5.445 -9.555 -3.752 552 HB2 SER 83 HB2 SER 83 5.203 -8.540 -6.618 553 HB3 SER 83 HB3 SER 83 4.922 -10.185 -6.086 554 HG SER 83 HG SER 83 3.383 -8.596 -4.535 555 H LYS 84 H LYS 84 7.313 -7.392 -5.984 556 HA LYS 84 HA LYS 84 9.229 -9.170 -6.798 557 HB2 LYS 84 HB2 LYS 84 8.839 -6.304 -6.757 558 HB3 LYS 84 HB3 LYS 84 10.518 -6.683 -6.431 559 HG2 LYS 84 HG2 LYS 84 10.625 -6.764 -8.735 560 HG3 LYS 84 HG3 LYS 84 10.131 -8.423 -8.464 561 HD2 LYS 84 HD2 LYS 84 8.117 -8.089 -9.470 562 HD3 LYS 84 HD3 LYS 84 7.798 -6.651 -8.521 563 HE2 LYS 84 HE2 LYS 84 9.126 -5.267 -10.058 564 HE3 LYS 84 HE3 LYS 84 9.661 -6.683 -10.941 565 HZ1 LYS 84 HZ1 LYS 84 7.526 -5.259 -11.657 566 HZ2 LYS 84 HZ2 LYS 84 7.665 -6.844 -12.007 567 HZ3 LYS 84 HZ3 LYS 84 6.821 -6.373 -10.687 568 H VAL 85 H VAL 85 9.330 -6.997 -3.887 569 HA VAL 85 HA VAL 85 11.762 -7.911 -2.933 570 HB VAL 85 HB VAL 85 9.332 -6.647 -1.704 571 HG11 VAL 85 HG11 VAL 85 9.906 -7.567 0.277 572 HG12 VAL 85 HG12 VAL 85 11.533 -8.018 -0.284 573 HG13 VAL 85 HG13 VAL 85 11.208 -6.354 0.257 574 HG21 VAL 85 HG21 VAL 85 11.219 -5.527 -3.194 575 HG22 VAL 85 HG22 VAL 85 10.520 -4.682 -1.792 576 HG23 VAL 85 HG23 VAL 85 12.097 -5.496 -1.646 577 H ILE 86 H ILE 86 8.519 -9.342 -2.860 578 HA ILE 86 HA ILE 86 9.207 -11.241 -0.828 579 HB ILE 86 HB ILE 86 6.851 -10.887 -2.671 580 HG12 ILE 86 HG12 ILE 86 7.077 -10.608 0.338 581 HG13 ILE 86 HG13 ILE 86 7.197 -9.269 -0.786 582 HG21 ILE 86 HG21 ILE 86 5.738 -12.709 -1.603 583 HG22 ILE 86 HG22 ILE 86 7.300 -13.308 -2.210 584 HG23 ILE 86 HG23 ILE 86 7.094 -12.958 -0.477 585 HD11 ILE 86 HD11 ILE 86 4.916 -9.918 -1.703 586 HD12 ILE 86 HD12 ILE 86 4.800 -11.111 -0.387 587 HD13 ILE 86 HD13 ILE 86 4.901 -9.375 -0.008 588 H GLY 87 H GLY 87 7.947 -11.949 -4.140 589 HA2 GLY 87 HA2 GLY 87 10.191 -13.145 -5.218 590 HA3 GLY 87 HA3 GLY 87 9.401 -14.391 -4.273 591 H GLY 88 H GLY 88 6.683 -13.846 -4.563 592 HA2 GLY 88 HA2 GLY 88 5.302 -13.146 -6.573 593 HA3 GLY 88 HA3 GLY 88 6.322 -14.256 -7.465 594 H PHE 89 H PHE 89 4.861 -14.470 -4.143 595 HA PHE 89 HA PHE 89 3.755 -16.120 -3.165 596 HB2 PHE 89 HB2 PHE 89 2.481 -15.585 -5.854 597 HB3 PHE 89 HB3 PHE 89 1.912 -17.020 -5.024 598 HD1 PHE 89 HD2 PHE 89 2.649 -13.451 -4.174 599 HD2 PHE 89 HD1 PHE 89 0.026 -16.758 -3.740 600 HE1 PHE 89 HE2 PHE 89 1.097 -12.039 -2.797 601 HE2 PHE 89 HE1 PHE 89 -1.526 -15.346 -2.363 602 HZ PHE 89 HZ PHE 89 -0.973 -13.003 -1.908 603 H ALA 90 H ALA 90 5.309 -17.751 -2.842 604 HA ALA 90 HA ALA 90 4.827 -20.166 -4.226 605 HB1 ALA 90 HB1 ALA 90 6.156 -19.168 -5.992 606 HB2 ALA 90 HB2 ALA 90 7.409 -18.672 -4.830 607 HB3 ALA 90 HB3 ALA 90 7.146 -20.399 -5.172 608 H GLY 91 H GLY 91 4.586 -19.407 -1.560 609 HA2 GLY 91 HA2 GLY 91 5.107 -20.260 0.464 610 HA3 GLY 91 HA3 GLY 91 6.301 -21.296 -0.293 611 H THR 92 H THR 92 8.398 -20.159 -1.058 612 HA THR 92 HA THR 92 9.746 -19.089 1.035 613 HB THR 92 HB THR 92 10.376 -19.867 -1.474 614 HG1 THR 92 HG1 THR 92 11.748 -17.779 0.068 615 HG21 THR 92 HG21 THR 92 10.923 -18.118 -2.943 616 HG22 THR 92 HG22 THR 92 9.443 -17.451 -2.214 617 HG23 THR 92 HG23 THR 92 11.038 -16.921 -1.631 618 H ALA 93 H ALA 93 10.324 -17.057 1.831 619 HA ALA 93 HA ALA 93 9.956 -14.959 2.427 620 HB1 ALA 93 HB1 ALA 93 8.886 -14.352 -0.334 621 HB2 ALA 93 HB2 ALA 93 9.903 -13.345 0.725 622 HB3 ALA 93 HB3 ALA 93 10.602 -14.760 -0.098 623 H LEU 94 H LEU 94 8.344 -15.123 3.968 624 HA LEU 94 HA LEU 94 5.729 -14.285 3.103 625 HB2 LEU 94 HB2 LEU 94 4.580 -16.165 4.221 626 HB3 LEU 94 HB3 LEU 94 5.423 -16.601 2.748 627 HG LEU 94 HG LEU 94 7.360 -17.282 4.409 628 HD11 LEU 94 HD11 LEU 94 6.892 -17.107 6.570 629 HD12 LEU 94 HD12 LEU 94 5.218 -16.615 6.216 630 HD13 LEU 94 HD13 LEU 94 5.627 -18.342 6.360 631 HD21 LEU 94 HD21 LEU 94 5.497 -19.420 4.688 632 HD22 LEU 94 HD22 LEU 94 5.225 -18.648 3.108 633 HD23 LEU 94 HD23 LEU 94 6.843 -19.252 3.536 634 H GLY 95 H GLY 95 7.792 -15.562 5.792 635 HA2 GLY 95 HA2 GLY 95 6.512 -13.591 7.578 636 HA3 GLY 95 HA3 GLY 95 7.312 -15.069 8.076 637 H ALA 96 H ALA 96 9.673 -15.233 7.940 638 HA ALA 96 HA ALA 96 11.005 -13.032 8.865 639 HB1 ALA 96 HB1 ALA 96 13.067 -14.358 8.031 640 HB2 ALA 96 HB2 ALA 96 11.975 -15.165 9.182 641 HB3 ALA 96 HB3 ALA 96 11.890 -15.559 7.449 642 H TRP 97 H TRP 97 13.066 -12.080 7.658 643 HA TRP 97 HA TRP 97 12.049 -11.062 5.103 644 HB2 TRP 97 HB2 TRP 97 12.759 -9.042 5.686 645 HB3 TRP 97 HB3 TRP 97 12.802 -9.679 7.318 646 HD1 TRP 97 HD1 TRP 97 15.210 -8.866 4.397 647 HE1 TRP 97 HE1 TRP 97 17.688 -8.594 5.262 648 HE3 TRP 97 HE3 TRP 97 14.264 -10.351 9.167 649 HZ2 TRP 97 HZ2 TRP 97 18.947 -9.022 7.787 650 HZ3 TRP 97 HZ3 TRP 97 16.174 -10.395 10.770 651 HH2 TRP 97 HH2 TRP 97 18.451 -9.762 10.146 652 H LEU 98 H LEU 98 13.810 -10.626 3.430 653 HA LEU 98 HA LEU 98 15.424 -11.360 2.117 654 HB2 LEU 98 HB2 LEU 98 16.848 -10.599 3.950 655 HB3 LEU 98 HB3 LEU 98 16.743 -12.175 4.710 656 HG LEU 98 HG LEU 98 17.666 -12.578 2.040 657 HD11 LEU 98 HD11 LEU 98 18.797 -10.163 3.378 658 HD12 LEU 98 HD12 LEU 98 19.915 -11.255 2.527 659 HD13 LEU 98 HD13 LEU 98 18.554 -10.516 1.651 660 HD21 LEU 98 HD21 LEU 98 19.562 -12.714 4.326 661 HD22 LEU 98 HD22 LEU 98 18.086 -13.703 4.433 662 HD23 LEU 98 HD23 LEU 98 19.195 -13.907 3.056 663 H GLY 99 H GLY 99 15.959 -13.201 0.881 664 HA2 GLY 99 HA2 GLY 99 16.225 -15.741 1.307 665 HA3 GLY 99 HA3 GLY 99 14.529 -15.624 1.733 666 H SER 100 H SER 100 16.820 -15.906 -0.843 667 HA SER 100 HA SER 100 15.083 -14.898 -2.856 668 HB2 SER 100 HB2 SER 100 16.820 -15.799 -4.418 669 HB3 SER 100 HB3 SER 100 17.492 -14.749 -3.186 670 HG SER 100 HG SER 100 17.383 -17.503 -2.527 671 HA PRO 101 HA PRO 101 12.966 -18.622 -3.629 672 HB2 PRO 101 HB2 PRO 101 12.184 -18.283 -6.225 673 HB3 PRO 101 HB3 PRO 101 11.355 -17.543 -4.870 674 HG2 PRO 101 HG2 PRO 101 13.170 -16.291 -6.839 675 HG3 PRO 101 HG3 PRO 101 12.019 -15.524 -5.764 676 HD2 PRO 101 HD2 PRO 101 14.866 -15.632 -5.434 677 HD3 PRO 101 HD3 PRO 101 13.705 -14.966 -4.303 678 HA PRO 102 HA PRO 102 15.572 -21.481 -5.373 679 HB2 PRO 102 HB2 PRO 102 13.947 -23.669 -5.576 680 HB3 PRO 102 HB3 PRO 102 14.733 -23.194 -4.083 681 HG2 PRO 102 HG2 PRO 102 11.896 -22.897 -4.861 682 HG3 PRO 102 HG3 PRO 102 12.609 -22.829 -3.261 683 HD2 PRO 102 HD2 PRO 102 11.729 -20.604 -4.844 684 HD3 PRO 102 HD3 PRO 102 12.547 -20.531 -3.296 685 H SER 103 H SER 103 15.185 -19.728 -7.233 686 HA SER 103 HA SER 103 15.303 -21.270 -9.530 687 HB2 SER 103 HB2 SER 103 13.229 -20.353 -10.684 688 HB3 SER 103 HB3 SER 103 12.923 -21.560 -9.452 689 HG SER 103 HG SER 103 12.893 -18.758 -8.790 690 H SER 104 H SER 104 16.808 -20.093 -10.652 691 HA SER 104 HA SER 104 17.140 -17.349 -10.056 692 HB2 SER 104 HB2 SER 104 18.655 -19.464 -11.295 693 HB3 SER 104 HB3 SER 104 18.615 -18.114 -12.411 694 HG SER 104 HG SER 104 19.482 -16.739 -10.787 Start of MODEL 15 1 H MET 1 H1 MET 1 -21.753 -18.231 -4.544 2 HA MET 1 HA MET 1 -21.978 -17.660 -2.182 3 HB2 MET 1 HB2 MET 1 -21.948 -20.056 -3.010 4 HB3 MET 1 HB3 MET 1 -20.208 -20.092 -2.803 5 HG2 MET 1 HG2 MET 1 -20.351 -20.016 -0.435 6 HG3 MET 1 HG3 MET 1 -21.961 -19.324 -0.451 7 HE1 MET 1 HE1 MET 1 -24.305 -21.714 -0.187 8 HE2 MET 1 HE2 MET 1 -23.874 -20.204 -1.023 9 HE3 MET 1 HE3 MET 1 -24.117 -21.700 -1.956 10 H GLY 2 H GLY 2 -18.589 -18.561 -3.159 11 HA2 GLY 2 HA2 GLY 2 -17.356 -16.432 -1.848 12 HA3 GLY 2 HA3 GLY 2 -17.406 -17.772 -0.719 13 H LYS 3 H LYS 3 -16.328 -16.769 -4.003 14 HA LYS 3 HA LYS 3 -14.149 -18.696 -3.740 15 HB2 LYS 3 HB2 LYS 3 -15.793 -19.825 -5.118 16 HB3 LYS 3 HB3 LYS 3 -15.959 -18.423 -6.155 17 HG2 LYS 3 HG2 LYS 3 -13.146 -19.125 -5.968 18 HG3 LYS 3 HG3 LYS 3 -14.062 -20.561 -6.379 19 HD2 LYS 3 HD2 LYS 3 -15.250 -18.681 -8.028 20 HD3 LYS 3 HD3 LYS 3 -13.602 -18.088 -7.974 21 HE2 LYS 3 HE2 LYS 3 -12.802 -20.426 -8.572 22 HE3 LYS 3 HE3 LYS 3 -14.476 -20.910 -8.757 23 HZ1 LYS 3 HZ1 LYS 3 -14.733 -19.487 -10.597 24 HZ2 LYS 3 HZ2 LYS 3 -13.420 -18.588 -10.252 25 HZ3 LYS 3 HZ3 LYS 3 -13.238 -20.126 -10.780 26 H GLU 4 H GLU 4 -12.696 -17.039 -3.215 27 HA GLU 4 HA GLU 4 -11.210 -15.516 -3.661 28 HB2 GLU 4 HB2 GLU 4 -11.987 -16.386 -6.356 29 HB3 GLU 4 HB3 GLU 4 -11.467 -14.713 -6.347 30 HG2 GLU 4 HG2 GLU 4 -9.562 -15.915 -4.709 31 HG3 GLU 4 HG3 GLU 4 -9.887 -17.181 -5.876 32 H SER 5 H SER 5 -14.035 -14.672 -5.805 33 HA SER 5 HA SER 5 -13.941 -12.030 -5.674 34 HB2 SER 5 HB2 SER 5 -15.979 -14.023 -6.144 35 HB3 SER 5 HB3 SER 5 -16.698 -12.710 -5.233 36 HG SER 5 HG SER 5 -15.160 -12.390 -7.669 37 H GLY 6 H GLY 6 -14.711 -10.328 -4.275 38 HA2 GLY 6 HA2 GLY 6 -16.127 -10.087 -2.158 39 HA3 GLY 6 HA3 GLY 6 -14.939 -11.169 -1.459 40 H TRP 7 H TRP 7 -15.068 -8.844 -0.165 41 HA TRP 7 HA TRP 7 -13.411 -6.830 -1.345 42 HB2 TRP 7 HB2 TRP 7 -14.745 -7.215 1.319 43 HB3 TRP 7 HB3 TRP 7 -13.548 -5.955 1.095 44 HD1 TRP 7 HD1 TRP 7 -16.750 -7.048 -0.894 45 HE1 TRP 7 HE1 TRP 7 -18.129 -4.926 -1.643 46 HE3 TRP 7 HE3 TRP 7 -13.556 -3.622 1.087 47 HZ2 TRP 7 HZ2 TRP 7 -17.738 -2.117 -1.329 48 HZ3 TRP 7 HZ3 TRP 7 -14.129 -1.211 0.821 49 HH2 TRP 7 HH2 TRP 7 -16.138 -0.439 -0.338 50 H ASP 8 H ASP 8 -11.809 -8.829 -1.774 51 HA ASP 8 HA ASP 8 -9.972 -9.901 -1.302 52 HB2 ASP 8 HB2 ASP 8 -9.474 -7.251 -1.016 53 HB3 ASP 8 HB3 ASP 8 -9.075 -7.757 0.614 54 H SER 9 H SER 9 -10.767 -11.681 -0.008 55 HA SER 9 HA SER 9 -10.732 -12.986 1.739 56 HB2 SER 9 HB2 SER 9 -8.771 -11.084 2.453 57 HB3 SER 9 HB3 SER 9 -9.808 -11.186 3.862 58 HG SER 9 HG SER 9 -9.501 -13.708 3.190 59 H GLY 10 H GLY 10 -11.301 -9.672 3.153 60 HA2 GLY 10 HA2 GLY 10 -13.723 -9.104 3.378 61 HA3 GLY 10 HA3 GLY 10 -13.904 -10.669 4.145 62 H ARG 11 H ARG 11 -13.624 -10.827 6.344 63 HA ARG 11 HA ARG 11 -13.055 -8.429 7.722 64 HB2 ARG 11 HB2 ARG 11 -14.334 -10.929 8.282 65 HB3 ARG 11 HB3 ARG 11 -13.030 -10.787 9.443 66 HG2 ARG 11 HG2 ARG 11 -13.852 -8.640 10.238 67 HG3 ARG 11 HG3 ARG 11 -14.994 -8.515 8.914 68 HD2 ARG 11 HD2 ARG 11 -16.516 -9.424 10.353 69 HD3 ARG 11 HD3 ARG 11 -15.715 -10.952 10.043 70 HE ARG 11 HE ARG 11 -14.198 -9.704 12.060 71 HH11 ARG 11 HH22 ARG 11 -17.533 -10.841 11.686 72 HH12 ARG 11 HH21 ARG 11 -17.740 -11.172 13.374 73 HH21 ARG 11 HH12 ARG 11 -14.480 -10.138 14.249 74 HH22 ARG 11 HH11 ARG 11 -15.985 -10.766 14.838 75 H ALA 12 H ALA 12 -11.559 -11.756 7.728 76 HA ALA 12 HA ALA 12 -9.430 -11.367 9.307 77 HB1 ALA 12 HB1 ALA 12 -10.251 -13.350 7.710 78 HB2 ALA 12 HB2 ALA 12 -8.937 -12.730 6.682 79 HB3 ALA 12 HB3 ALA 12 -8.587 -13.282 8.337 80 H ALA 13 H ALA 13 -9.946 -10.042 6.033 81 HA ALA 13 HA ALA 13 -7.470 -9.325 5.257 82 HB1 ALA 13 HB1 ALA 13 -9.826 -8.873 4.243 83 HB2 ALA 13 HB2 ALA 13 -9.757 -7.347 5.157 84 HB3 ALA 13 HB3 ALA 13 -8.525 -7.701 3.921 85 H VAL 14 H VAL 14 -9.604 -7.309 7.411 86 HA VAL 14 HA VAL 14 -7.889 -5.294 7.952 87 HB VAL 14 HB VAL 14 -9.824 -6.727 9.777 88 HG11 VAL 14 HG11 VAL 14 -8.383 -5.501 11.228 89 HG12 VAL 14 HG12 VAL 14 -8.379 -4.089 10.144 90 HG13 VAL 14 HG13 VAL 14 -9.859 -4.526 11.031 91 HG21 VAL 14 HG21 VAL 14 -10.920 -5.854 7.823 92 HG22 VAL 14 HG22 VAL 14 -11.295 -4.780 9.192 93 HG23 VAL 14 HG23 VAL 14 -10.081 -4.292 7.986 94 H ALA 15 H ALA 15 -7.978 -8.555 9.512 95 HA ALA 15 HA ALA 15 -6.030 -8.104 11.415 96 HB1 ALA 15 HB1 ALA 15 -7.598 -10.106 11.071 97 HB2 ALA 15 HB2 ALA 15 -6.409 -10.698 9.885 98 HB3 ALA 15 HB3 ALA 15 -5.935 -10.478 11.587 99 H ALA 16 H ALA 16 -5.721 -9.215 7.979 100 HA ALA 16 HA ALA 16 -2.944 -9.525 8.049 101 HB1 ALA 16 HB1 ALA 16 -3.468 -8.961 5.443 102 HB2 ALA 16 HB2 ALA 16 -3.812 -10.537 6.195 103 HB3 ALA 16 HB3 ALA 16 -5.112 -9.334 6.016 104 H VAL 17 H VAL 17 -5.040 -6.698 7.893 105 HA VAL 17 HA VAL 17 -2.971 -4.992 6.856 106 HB VAL 17 HB VAL 17 -5.679 -4.385 8.059 107 HG11 VAL 17 HG11 VAL 17 -3.995 -2.499 8.052 108 HG12 VAL 17 HG12 VAL 17 -3.986 -2.611 6.276 109 HG13 VAL 17 HG13 VAL 17 -5.488 -2.191 7.134 110 HG21 VAL 17 HG21 VAL 17 -4.818 -5.312 5.387 111 HG22 VAL 17 HG22 VAL 17 -6.404 -5.420 6.187 112 HG23 VAL 17 HG23 VAL 17 -5.914 -3.910 5.382 113 H VAL 18 H VAL 18 -4.083 -6.209 9.960 114 HA VAL 18 HA VAL 18 -3.045 -4.087 11.524 115 HB VAL 18 HB VAL 18 -3.895 -6.926 12.061 116 HG11 VAL 18 HG11 VAL 18 -2.973 -4.907 14.135 117 HG12 VAL 18 HG12 VAL 18 -3.623 -6.535 14.447 118 HG13 VAL 18 HG13 VAL 18 -2.058 -6.345 13.620 119 HG21 VAL 18 HG21 VAL 18 -5.070 -4.203 12.699 120 HG22 VAL 18 HG22 VAL 18 -5.726 -5.446 11.607 121 HG23 VAL 18 HG23 VAL 18 -5.690 -5.734 13.363 122 H GLY 19 H GLY 19 -1.754 -7.128 10.152 123 HA2 GLY 19 HA2 GLY 19 0.661 -7.117 11.663 124 HA3 GLY 19 HA3 GLY 19 0.307 -8.046 10.219 125 H GLY 20 H GLY 20 1.593 -4.986 11.499 126 HA2 GLY 20 HA2 GLY 20 3.603 -4.334 10.114 127 HA3 GLY 20 HA3 GLY 20 2.473 -4.239 8.779 128 H VAL 21 H VAL 21 2.011 -3.293 12.247 129 HA VAL 21 HA VAL 21 0.636 -0.972 11.665 130 HB VAL 21 HB VAL 21 2.285 -1.801 14.056 131 HG11 VAL 21 HG11 VAL 21 2.139 0.578 14.193 132 HG12 VAL 21 HG12 VAL 21 0.428 0.570 13.703 133 HG13 VAL 21 HG13 VAL 21 0.902 -0.079 15.291 134 HG21 VAL 21 HG21 VAL 21 0.496 -2.964 14.754 135 HG22 VAL 21 HG22 VAL 21 -0.637 -1.669 14.300 136 HG23 VAL 21 HG23 VAL 21 -0.082 -2.836 13.076 137 H VAL 22 H VAL 22 4.121 -1.323 12.651 138 HA VAL 22 HA VAL 22 4.839 1.297 12.394 139 HB VAL 22 HB VAL 22 6.348 -1.261 11.862 140 HG11 VAL 22 HG11 VAL 22 7.148 1.361 11.122 141 HG12 VAL 22 HG12 VAL 22 8.092 0.913 12.563 142 HG13 VAL 22 HG13 VAL 22 8.120 -0.130 11.120 143 HG21 VAL 22 HG21 VAL 22 7.171 -1.042 14.080 144 HG22 VAL 22 HG22 VAL 22 6.553 0.621 14.226 145 HG23 VAL 22 HG23 VAL 22 5.418 -0.749 14.173 146 H ALA 23 H ALA 23 4.671 -1.252 9.835 147 HA ALA 23 HA ALA 23 5.724 0.233 7.763 148 HB1 ALA 23 HB1 ALA 23 5.062 -2.258 7.910 149 HB2 ALA 23 HB2 ALA 23 3.423 -1.720 7.471 150 HB3 ALA 23 HB3 ALA 23 4.783 -1.430 6.360 151 H VAL 24 H VAL 24 2.396 0.139 9.136 152 HA VAL 24 HA VAL 24 1.296 1.801 7.123 153 HB VAL 24 HB VAL 24 0.365 1.165 9.930 154 HG11 VAL 24 HG11 VAL 24 -0.802 3.112 9.150 155 HG12 VAL 24 HG12 VAL 24 -1.081 2.375 7.553 156 HG13 VAL 24 HG13 VAL 24 -1.902 1.721 8.991 157 HG21 VAL 24 HG21 VAL 24 -0.002 -0.900 9.170 158 HG22 VAL 24 HG22 VAL 24 -1.177 -0.218 8.020 159 HG23 VAL 24 HG23 VAL 24 0.520 -0.444 7.530 160 H GLY 25 H GLY 25 3.151 2.321 10.083 161 HA2 GLY 25 HA2 GLY 25 2.376 5.031 10.500 162 HA3 GLY 25 HA3 GLY 25 3.753 4.195 11.189 163 H THR 26 H THR 26 5.365 3.470 9.122 164 HA THR 26 HA THR 26 6.587 5.871 8.387 165 HB THR 26 HB THR 26 6.815 2.974 7.440 166 HG1 THR 26 HG1 THR 26 8.842 3.422 8.780 167 HG21 THR 26 HG21 THR 26 9.060 4.944 7.096 168 HG22 THR 26 HG22 THR 26 8.663 3.506 6.125 169 HG23 THR 26 HG23 THR 26 7.752 5.017 5.892 170 H VAL 27 H VAL 27 4.532 3.610 6.443 171 HA VAL 27 HA VAL 27 4.686 5.057 4.084 172 HB VAL 27 HB VAL 27 2.542 3.266 5.233 173 HG11 VAL 27 HG11 VAL 27 1.530 3.117 3.082 174 HG12 VAL 27 HG12 VAL 27 1.711 4.852 3.436 175 HG13 VAL 27 HG13 VAL 27 2.841 4.049 2.321 176 HG21 VAL 27 HG21 VAL 27 5.044 2.553 4.597 177 HG22 VAL 27 HG22 VAL 27 3.644 1.491 4.311 178 HG23 VAL 27 HG23 VAL 27 4.317 2.456 2.975 179 H LEU 28 H LEU 28 2.046 5.098 6.590 180 HA LEU 28 HA LEU 28 0.544 7.097 5.524 181 HB2 LEU 28 HB2 LEU 28 -0.088 5.728 7.431 182 HB3 LEU 28 HB3 LEU 28 1.120 6.510 8.430 183 HG LEU 28 HG LEU 28 -0.730 8.426 7.213 184 HD11 LEU 28 HD11 LEU 28 -2.029 6.132 7.739 185 HD12 LEU 28 HD12 LEU 28 -2.079 6.877 9.354 186 HD13 LEU 28 HD13 LEU 28 -2.754 7.743 7.953 187 HD21 LEU 28 HD21 LEU 28 0.270 7.823 9.999 188 HD22 LEU 28 HD22 LEU 28 0.694 9.184 8.933 189 HD23 LEU 28 HD23 LEU 28 -0.930 9.093 9.656 190 H VAL 29 H VAL 29 3.061 7.606 8.103 191 HA VAL 29 HA VAL 29 3.083 10.305 8.116 192 HB VAL 29 HB VAL 29 5.289 8.276 8.412 193 HG11 VAL 29 HG11 VAL 29 6.394 10.347 9.659 194 HG12 VAL 29 HG12 VAL 29 6.658 10.052 7.924 195 HG13 VAL 29 HG13 VAL 29 5.465 11.264 8.449 196 HG21 VAL 29 HG21 VAL 29 3.681 8.122 10.155 197 HG22 VAL 29 HG22 VAL 29 5.061 9.019 10.832 198 HG23 VAL 29 HG23 VAL 29 3.592 9.891 10.332 199 H ALA 30 H ALA 30 4.466 8.112 5.652 200 HA ALA 30 HA ALA 30 6.010 10.008 4.308 201 HB1 ALA 30 HB1 ALA 30 6.387 8.283 2.862 202 HB2 ALA 30 HB2 ALA 30 5.591 7.324 4.132 203 HB3 ALA 30 HB3 ALA 30 4.658 7.882 2.723 204 H LEU 31 H LEU 31 2.610 8.862 3.726 205 HA LEU 31 HA LEU 31 2.133 10.646 1.625 206 HB2 LEU 31 HB2 LEU 31 0.881 8.502 2.599 207 HB3 LEU 31 HB3 LEU 31 -0.091 9.735 3.378 208 HG LEU 31 HG LEU 31 -1.121 9.017 1.304 209 HD11 LEU 31 HD11 LEU 31 -1.195 11.275 0.110 210 HD12 LEU 31 HD12 LEU 31 -1.651 11.242 1.831 211 HD13 LEU 31 HD13 LEU 31 -0.044 11.836 1.347 212 HD21 LEU 31 HD21 LEU 31 0.073 8.438 -0.470 213 HD22 LEU 31 HD22 LEU 31 0.583 10.130 -0.684 214 HD23 LEU 31 HD23 LEU 31 1.556 9.027 0.318 215 H SER 32 H SER 32 1.063 10.803 5.099 216 HA SER 32 HA SER 32 -0.128 13.174 5.087 217 HB2 SER 32 HB2 SER 32 0.859 11.446 7.031 218 HB3 SER 32 HB3 SER 32 1.750 12.917 7.364 219 HG SER 32 HG SER 32 -1.124 12.856 7.026 220 H ALA 33 H ALA 33 3.336 12.932 6.179 221 HA ALA 33 HA ALA 33 4.013 15.520 6.121 222 HB1 ALA 33 HB1 ALA 33 6.324 14.574 5.305 223 HB2 ALA 33 HB2 ALA 33 5.654 14.030 6.861 224 HB3 ALA 33 HB3 ALA 33 5.510 12.995 5.420 225 H MET 34 H MET 34 4.685 13.363 3.268 226 HA MET 34 HA MET 34 4.374 13.724 1.122 227 HB2 MET 34 HB2 MET 34 2.519 15.495 2.163 228 HB3 MET 34 HB3 MET 34 3.578 16.614 1.328 229 HG2 MET 34 HG2 MET 34 3.223 14.477 -0.500 230 HG3 MET 34 HG3 MET 34 1.638 14.715 0.208 231 HE1 MET 34 HE1 MET 34 0.979 16.802 -2.901 232 HE2 MET 34 HE2 MET 34 1.863 15.259 -2.834 233 HE3 MET 34 HE3 MET 34 0.445 15.518 -1.790 234 H GLY 35 H GLY 35 5.446 16.796 2.751 235 HA2 GLY 35 HA2 GLY 35 7.913 16.665 1.142 236 HA3 GLY 35 HA3 GLY 35 6.963 18.137 1.188 237 H PHE 36 H PHE 36 6.268 18.765 3.623 238 HA PHE 36 HA PHE 36 7.968 18.008 5.704 239 HB2 PHE 36 HB2 PHE 36 9.596 19.255 4.176 240 HB3 PHE 36 HB3 PHE 36 8.560 20.665 4.267 241 HD1 PHE 36 HD2 PHE 36 10.151 18.292 6.685 242 HD2 PHE 36 HD1 PHE 36 9.296 22.323 5.672 243 HE1 PHE 36 HE2 PHE 36 11.387 19.067 8.728 244 HE2 PHE 36 HE1 PHE 36 10.532 23.098 7.715 245 HZ PHE 36 HZ PHE 36 11.562 21.461 9.218 246 H THR 37 H THR 37 5.167 18.403 5.307 247 HA THR 37 HA THR 37 4.711 20.390 7.377 248 HB THR 37 HB THR 37 2.772 21.293 5.881 249 HG1 THR 37 HG1 THR 37 2.901 20.577 3.754 250 HG21 THR 37 HG21 THR 37 4.201 22.874 4.701 251 HG22 THR 37 HG22 THR 37 4.991 22.538 6.260 252 HG23 THR 37 HG23 THR 37 5.585 21.758 4.775 253 H SER 38 H SER 38 2.880 19.994 8.642 254 HA SER 38 HA SER 38 0.816 18.378 8.030 255 HB2 SER 38 HB2 SER 38 1.576 16.261 9.402 256 HB3 SER 38 HB3 SER 38 2.000 16.393 7.707 257 HG SER 38 HG SER 38 3.967 17.641 9.030 258 H VAL 39 H VAL 39 3.263 19.410 10.404 259 HA VAL 39 HA VAL 39 1.666 18.971 12.697 260 HB VAL 39 HB VAL 39 4.082 20.689 12.122 261 HG11 VAL 39 HG11 VAL 39 2.467 20.361 14.634 262 HG12 VAL 39 HG12 VAL 39 4.233 20.555 14.747 263 HG13 VAL 39 HG13 VAL 39 3.248 21.813 13.962 264 HG21 VAL 39 HG21 VAL 39 3.920 18.166 13.785 265 HG22 VAL 39 HG22 VAL 39 4.226 18.139 12.032 266 HG23 VAL 39 HG23 VAL 39 5.363 18.969 13.122 267 H GLY 40 H GLY 40 2.830 22.210 11.604 268 HA2 GLY 40 HA2 GLY 40 1.025 23.797 12.770 269 HA3 GLY 40 HA3 GLY 40 1.667 24.112 11.170 270 H ILE 41 H ILE 41 0.535 22.385 9.446 271 HA ILE 41 HA ILE 41 -1.999 23.350 9.049 272 HB ILE 41 HB ILE 41 -2.236 21.559 7.416 273 HG12 ILE 41 HG12 ILE 41 -0.056 20.057 7.247 274 HG13 ILE 41 HG13 ILE 41 0.008 20.334 8.976 275 HG21 ILE 41 HG21 ILE 41 0.628 22.479 7.283 276 HG22 ILE 41 HG22 ILE 41 -0.561 22.286 5.972 277 HG23 ILE 41 HG23 ILE 41 -0.723 23.628 7.129 278 HD11 ILE 41 HD11 ILE 41 -1.407 18.534 9.067 279 HD12 ILE 41 HD12 ILE 41 -2.659 19.738 8.677 280 HD13 ILE 41 HD13 ILE 41 -1.942 18.748 7.383 281 H ALA 42 H ALA 42 -0.974 20.260 10.633 282 HA ALA 42 HA ALA 42 -3.536 19.295 11.103 283 HB1 ALA 42 HB1 ALA 42 -1.695 17.818 11.341 284 HB2 ALA 42 HB2 ALA 42 -0.847 18.919 12.454 285 HB3 ALA 42 HB3 ALA 42 -2.304 18.051 12.997 286 H ALA 43 H ALA 43 -1.550 21.740 12.778 287 HA ALA 43 HA ALA 43 -3.162 21.811 15.112 288 HB1 ALA 43 HB1 ALA 43 -1.452 24.085 14.089 289 HB2 ALA 43 HB2 ALA 43 -1.744 23.568 15.767 290 HB3 ALA 43 HB3 ALA 43 -0.707 22.589 14.701 291 H SER 44 H SER 44 -3.296 23.252 11.875 292 HA SER 44 HA SER 44 -5.134 25.265 12.652 293 HB2 SER 44 HB2 SER 44 -3.486 24.839 10.465 294 HB3 SER 44 HB3 SER 44 -5.062 24.472 9.792 295 HG SER 44 HG SER 44 -4.060 26.934 10.831 296 H SER 45 H SER 45 -5.262 21.981 11.190 297 HA SER 45 HA SER 45 -7.957 22.074 10.513 298 HB2 SER 45 HB2 SER 45 -6.113 20.391 9.801 299 HB3 SER 45 HB3 SER 45 -6.440 19.561 11.309 300 HG SER 45 HG SER 45 -8.264 18.760 10.505 301 H ILE 46 H ILE 46 -6.195 20.851 13.436 302 HA ILE 46 HA ILE 46 -8.566 20.009 14.740 303 HB ILE 46 HB ILE 46 -6.391 19.021 15.173 304 HG12 ILE 46 HG12 ILE 46 -6.910 20.192 17.828 305 HG13 ILE 46 HG13 ILE 46 -8.346 19.598 17.017 306 HG21 ILE 46 HG21 ILE 46 -5.326 21.119 16.893 307 HG22 ILE 46 HG22 ILE 46 -4.530 20.158 15.624 308 HG23 ILE 46 HG23 ILE 46 -5.439 21.625 15.190 309 HD11 ILE 46 HD11 ILE 46 -6.119 17.723 16.684 310 HD12 ILE 46 HD12 ILE 46 -6.444 18.051 18.403 311 HD13 ILE 46 HD13 ILE 46 -7.744 17.438 17.353 312 H ALA 47 H ALA 47 -6.656 23.027 14.596 313 HA ALA 47 HA ALA 47 -7.871 24.275 16.795 314 HB1 ALA 47 HB1 ALA 47 -6.417 25.230 14.313 315 HB2 ALA 47 HB2 ALA 47 -7.062 26.372 15.517 316 HB3 ALA 47 HB3 ALA 47 -5.833 25.175 15.993 317 H ALA 48 H ALA 48 -8.780 23.871 13.359 318 HA ALA 48 HA ALA 48 -10.928 25.758 13.542 319 HB1 ALA 48 HB1 ALA 48 -9.489 24.967 11.485 320 HB2 ALA 48 HB2 ALA 48 -10.666 23.634 11.416 321 HB3 ALA 48 HB3 ALA 48 -11.220 25.319 11.269 322 H LYS 49 H LYS 49 -10.837 22.170 12.927 323 HA LYS 49 HA LYS 49 -12.100 20.540 13.758 324 HB2 LYS 49 HB2 LYS 49 -12.323 22.494 15.781 325 HB3 LYS 49 HB3 LYS 49 -13.960 21.955 15.466 326 HG2 LYS 49 HG2 LYS 49 -13.372 19.633 15.857 327 HG3 LYS 49 HG3 LYS 49 -11.657 19.995 15.849 328 HD2 LYS 49 HD2 LYS 49 -11.849 21.275 17.932 329 HD3 LYS 49 HD3 LYS 49 -13.597 21.157 17.900 330 HE2 LYS 49 HE2 LYS 49 -13.609 18.933 18.593 331 HE3 LYS 49 HE3 LYS 49 -12.086 18.562 17.810 332 HZ1 LYS 49 HZ1 LYS 49 -12.392 20.136 20.312 333 HZ2 LYS 49 HZ2 LYS 49 -11.784 18.629 20.200 334 HZ3 LYS 49 HZ3 LYS 49 -10.990 19.881 19.507 335 H MET 50 H MET 50 -14.613 19.918 13.859 336 HA MET 50 HA MET 50 -16.365 19.603 12.599 337 HB2 MET 50 HB2 MET 50 -16.522 22.147 13.692 338 HB3 MET 50 HB3 MET 50 -16.744 22.519 11.994 339 HG2 MET 50 HG2 MET 50 -18.607 20.852 11.867 340 HG3 MET 50 HG3 MET 50 -18.380 20.464 13.561 341 HE1 MET 50 HE1 MET 50 -20.895 21.123 14.263 342 HE2 MET 50 HE2 MET 50 -19.524 21.464 15.346 343 HE3 MET 50 HE3 MET 50 -20.819 22.668 15.144 344 H MET 51 H MET 51 -15.133 18.623 10.830 345 HA MET 51 HA MET 51 -15.707 19.849 8.384 346 HB2 MET 51 HB2 MET 51 -13.193 20.576 9.591 347 HB3 MET 51 HB3 MET 51 -12.808 19.477 8.281 348 HG2 MET 51 HG2 MET 51 -14.826 21.296 7.314 349 HG3 MET 51 HG3 MET 51 -13.599 22.255 8.118 350 HE1 MET 51 HE1 MET 51 -11.824 23.265 5.920 351 HE2 MET 51 HE2 MET 51 -11.585 22.693 7.588 352 HE3 MET 51 HE3 MET 51 -10.545 22.081 6.280 353 H SER 52 H SER 52 -16.088 18.183 6.978 354 HA SER 52 HA SER 52 -14.582 15.735 7.469 355 HB2 SER 52 HB2 SER 52 -17.172 15.873 8.095 356 HB3 SER 52 HB3 SER 52 -17.394 15.642 6.372 357 HG SER 52 HG SER 52 -15.875 13.734 6.646 358 H THR 53 H THR 53 -16.560 17.667 5.121 359 HA THR 53 HA THR 53 -14.729 16.759 3.011 360 HB THR 53 HB THR 53 -17.790 16.881 2.909 361 HG1 THR 53 HG1 THR 53 -15.736 14.796 2.654 362 HG21 THR 53 HG21 THR 53 -16.145 15.576 0.769 363 HG22 THR 53 HG22 THR 53 -17.685 16.458 0.630 364 HG23 THR 53 HG23 THR 53 -16.154 17.356 0.758 365 H ALA 54 H ALA 54 -17.476 19.050 3.643 366 HA ALA 54 HA ALA 54 -17.533 21.270 3.459 367 HB1 ALA 54 HB1 ALA 54 -15.048 21.059 4.219 368 HB2 ALA 54 HB2 ALA 54 -14.664 21.359 2.508 369 HB3 ALA 54 HB3 ALA 54 -15.575 22.571 3.441 370 H ALA 55 H ALA 55 -15.255 20.082 0.878 371 HA ALA 55 HA ALA 55 -17.216 20.195 -1.131 372 HB1 ALA 55 HB1 ALA 55 -15.481 22.632 -0.712 373 HB2 ALA 55 HB2 ALA 55 -16.001 22.171 -2.350 374 HB3 ALA 55 HB3 ALA 55 -17.215 22.537 -1.101 375 H ILE 56 H ILE 56 -16.280 19.613 -3.256 376 HA ILE 56 HA ILE 56 -13.511 19.166 -3.517 377 HB ILE 56 HB ILE 56 -14.071 17.418 -1.838 378 HG12 ILE 56 HG12 ILE 56 -13.111 15.504 -3.411 379 HG13 ILE 56 HG13 ILE 56 -12.891 16.837 -4.528 380 HG21 ILE 56 HG21 ILE 56 -15.472 15.613 -2.278 381 HG22 ILE 56 HG22 ILE 56 -16.382 17.004 -2.914 382 HG23 ILE 56 HG23 ILE 56 -15.503 15.931 -4.029 383 HD11 ILE 56 HD11 ILE 56 -11.979 17.866 -2.071 384 HD12 ILE 56 HD12 ILE 56 -11.385 16.189 -2.100 385 HD13 ILE 56 HD13 ILE 56 -10.967 17.304 -3.423 386 H ALA 57 H ALA 57 -13.216 19.518 -5.645 387 HA ALA 57 HA ALA 57 -15.321 18.532 -7.446 388 HB1 ALA 57 HB1 ALA 57 -15.626 20.630 -8.185 389 HB2 ALA 57 HB2 ALA 57 -14.494 21.214 -6.943 390 HB3 ALA 57 HB3 ALA 57 -13.892 20.773 -8.558 391 H ASN 58 H ASN 58 -14.407 16.691 -8.279 392 HA ASN 58 HA ASN 58 -12.432 16.891 -10.141 393 HB2 ASN 58 HB2 ASN 58 -10.549 15.633 -8.960 394 HB3 ASN 58 HB3 ASN 58 -10.772 17.279 -8.401 395 HD21 ASN 58 HD21 ASN 58 -9.442 15.754 -6.763 396 HD22 ASN 58 HD22 ASN 58 -10.361 15.238 -5.389 397 H GLY 59 H GLY 59 -13.441 15.281 -11.372 398 HA2 GLY 59 HA2 GLY 59 -14.561 13.368 -11.853 399 HA3 GLY 59 HA3 GLY 59 -13.175 12.631 -11.073 400 H GLY 60 H GLY 60 -13.354 11.731 -8.981 401 HA2 GLY 60 HA2 GLY 60 -15.216 12.201 -7.055 402 HA3 GLY 60 HA3 GLY 60 -16.037 11.108 -8.151 403 H GLY 61 H GLY 61 -12.697 11.460 -6.737 404 HA2 GLY 61 HA2 GLY 61 -12.377 8.586 -6.653 405 HA3 GLY 61 HA3 GLY 61 -11.223 9.812 -6.166 406 H VAL 62 H VAL 62 -11.016 8.104 -4.334 407 HA VAL 62 HA VAL 62 -13.044 7.731 -2.481 408 HB VAL 62 HB VAL 62 -10.607 6.726 -2.864 409 HG11 VAL 62 HG11 VAL 62 -9.762 9.033 -1.855 410 HG12 VAL 62 HG12 VAL 62 -10.054 8.193 -0.313 411 HG13 VAL 62 HG13 VAL 62 -8.927 7.501 -1.505 412 HG21 VAL 62 HG21 VAL 62 -11.661 6.727 -0.042 413 HG22 VAL 62 HG22 VAL 62 -12.608 5.999 -1.362 414 HG23 VAL 62 HG23 VAL 62 -10.977 5.388 -0.995 415 H ALA 63 H ALA 63 -12.379 8.526 0.010 416 HA ALA 63 HA ALA 63 -13.083 11.281 -0.049 417 HB1 ALA 63 HB1 ALA 63 -12.571 9.175 2.048 418 HB2 ALA 63 HB2 ALA 63 -12.698 10.885 2.525 419 HB3 ALA 63 HB3 ALA 63 -14.059 10.088 1.702 420 H ALA 64 H ALA 64 -10.959 11.588 -1.482 421 HA ALA 64 HA ALA 64 -9.135 12.970 0.223 422 HB1 ALA 64 HB1 ALA 64 -7.145 11.708 -0.306 423 HB2 ALA 64 HB2 ALA 64 -8.345 10.573 0.359 424 HB3 ALA 64 HB3 ALA 64 -8.053 10.633 -1.396 425 H GLY 65 H GLY 65 -9.050 11.373 -3.046 426 HA2 GLY 65 HA2 GLY 65 -9.681 12.677 -4.981 427 HA3 GLY 65 HA3 GLY 65 -8.961 14.084 -4.224 428 H SER 66 H SER 66 -6.792 14.537 -4.550 429 HA SER 66 HA SER 66 -5.460 13.422 -6.601 430 HB2 SER 66 HB2 SER 66 -4.966 15.411 -4.702 431 HB3 SER 66 HB3 SER 66 -3.645 14.290 -4.438 432 HG SER 66 HG SER 66 -3.043 14.474 -6.650 433 H LEU 67 H LEU 67 -5.271 12.539 -3.097 434 HA LEU 67 HA LEU 67 -3.219 10.819 -3.039 435 HB2 LEU 67 HB2 LEU 67 -4.728 11.462 -1.175 436 HB3 LEU 67 HB3 LEU 67 -5.922 10.332 -1.782 437 HG LEU 67 HG LEU 67 -4.277 9.688 0.173 438 HD11 LEU 67 HD11 LEU 67 -5.818 8.073 -0.325 439 HD12 LEU 67 HD12 LEU 67 -5.387 8.027 -2.052 440 HD13 LEU 67 HD13 LEU 67 -4.327 7.254 -0.849 441 HD21 LEU 67 HD21 LEU 67 -2.638 8.673 -2.145 442 HD22 LEU 67 HD22 LEU 67 -2.280 10.222 -1.344 443 HD23 LEU 67 HD23 LEU 67 -2.235 8.706 -0.412 444 H VAL 68 H VAL 68 -6.479 10.200 -4.435 445 HA VAL 68 HA VAL 68 -6.404 7.551 -4.884 446 HB VAL 68 HB VAL 68 -7.294 9.765 -6.739 447 HG11 VAL 68 HG11 VAL 68 -8.672 7.169 -6.920 448 HG12 VAL 68 HG12 VAL 68 -8.136 8.278 -8.205 449 HG13 VAL 68 HG13 VAL 68 -6.982 7.136 -7.476 450 HG21 VAL 68 HG21 VAL 68 -8.964 10.067 -5.297 451 HG22 VAL 68 HG22 VAL 68 -9.450 8.367 -5.497 452 HG23 VAL 68 HG23 VAL 68 -8.283 8.816 -4.230 453 H ALA 69 H ALA 69 -4.987 10.042 -7.126 454 HA ALA 69 HA ALA 69 -3.897 8.398 -8.973 455 HB1 ALA 69 HB1 ALA 69 -2.430 10.791 -7.817 456 HB2 ALA 69 HB2 ALA 69 -2.442 10.211 -9.500 457 HB3 ALA 69 HB3 ALA 69 -3.901 10.958 -8.805 458 H ILE 70 H ILE 70 -2.477 9.318 -5.770 459 HA ILE 70 HA ILE 70 -0.101 7.894 -6.112 460 HB ILE 70 HB ILE 70 -1.619 9.055 -3.828 461 HG12 ILE 70 HG12 ILE 70 1.297 9.450 -4.375 462 HG13 ILE 70 HG13 ILE 70 0.142 10.145 -5.495 463 HG21 ILE 70 HG21 ILE 70 0.453 6.907 -3.600 464 HG22 ILE 70 HG22 ILE 70 0.452 8.241 -2.422 465 HG23 ILE 70 HG23 ILE 70 -0.992 7.217 -2.608 466 HD11 ILE 70 HD11 ILE 70 0.737 10.897 -2.682 467 HD12 ILE 70 HD12 ILE 70 0.116 11.894 -4.020 468 HD13 ILE 70 HD13 ILE 70 -0.996 10.860 -3.090 469 H LEU 71 H LEU 71 -3.228 6.979 -4.517 470 HA LEU 71 HA LEU 71 -2.522 4.478 -3.678 471 HB2 LEU 71 HB2 LEU 71 -4.688 5.883 -3.420 472 HB3 LEU 71 HB3 LEU 71 -5.218 5.048 -4.867 473 HG LEU 71 HG LEU 71 -4.290 3.001 -3.204 474 HD11 LEU 71 HD11 LEU 71 -5.750 3.448 -1.140 475 HD12 LEU 71 HD12 LEU 71 -4.162 4.249 -1.232 476 HD13 LEU 71 HD13 LEU 71 -5.644 5.165 -1.600 477 HD21 LEU 71 HD21 LEU 71 -6.380 3.340 -4.770 478 HD22 LEU 71 HD22 LEU 71 -6.406 2.152 -3.445 479 HD23 LEU 71 HD23 LEU 71 -7.191 3.735 -3.235 480 H GLN 72 H GLN 72 -3.542 5.565 -6.957 481 HA GLN 72 HA GLN 72 -3.743 3.046 -8.058 482 HB2 GLN 72 HB2 GLN 72 -3.791 5.786 -8.952 483 HB3 GLN 72 HB3 GLN 72 -2.757 4.883 -10.041 484 HG2 GLN 72 HG2 GLN 72 -4.521 3.255 -10.490 485 HG3 GLN 72 HG3 GLN 72 -5.534 3.918 -9.224 486 HE21 GLN 72 HE21 GLN 72 -6.009 3.573 -12.092 487 HE22 GLN 72 HE22 GLN 72 -6.428 5.126 -12.734 488 H SER 73 H SER 73 -1.003 5.407 -8.506 489 HA SER 73 HA SER 73 0.690 3.561 -9.632 490 HB2 SER 73 HB2 SER 73 0.766 6.287 -8.940 491 HB3 SER 73 HB3 SER 73 2.090 5.590 -8.029 492 HG SER 73 HG SER 73 3.194 5.197 -9.844 493 H VAL 74 H VAL 74 1.164 5.011 -6.327 494 HA VAL 74 HA VAL 74 2.955 3.280 -5.342 495 HB VAL 74 HB VAL 74 0.589 4.587 -3.999 496 HG11 VAL 74 HG11 VAL 74 2.994 3.299 -2.662 497 HG12 VAL 74 HG12 VAL 74 1.689 4.200 -1.853 498 HG13 VAL 74 HG13 VAL 74 1.336 2.651 -2.657 499 HG21 VAL 74 HG21 VAL 74 2.089 6.204 -4.916 500 HG22 VAL 74 HG22 VAL 74 2.406 6.135 -3.166 501 HG23 VAL 74 HG23 VAL 74 3.513 5.329 -4.304 502 H GLY 75 H GLY 75 -0.528 2.694 -5.867 503 HA2 GLY 75 HA2 GLY 75 -0.826 0.369 -4.353 504 HA3 GLY 75 HA3 GLY 75 -1.756 0.816 -5.770 505 H ALA 76 H ALA 76 -0.603 0.461 -7.975 506 HA ALA 76 HA ALA 76 0.075 -2.237 -8.172 507 HB1 ALA 76 HB1 ALA 76 1.053 -0.590 -10.377 508 HB2 ALA 76 HB2 ALA 76 -0.263 -1.789 -10.352 509 HB3 ALA 76 HB3 ALA 76 -0.584 -0.105 -9.873 510 H ALA 77 H ALA 77 2.179 0.683 -8.731 511 HA ALA 77 HA ALA 77 4.557 -0.574 -9.013 512 HB1 ALA 77 HB1 ALA 77 3.668 2.068 -7.901 513 HB2 ALA 77 HB2 ALA 77 5.377 1.607 -7.707 514 HB3 ALA 77 HB3 ALA 77 4.662 1.710 -9.334 515 H GLY 78 H GLY 78 3.436 0.802 -5.835 516 HA2 GLY 78 HA2 GLY 78 5.263 -0.173 -4.147 517 HA3 GLY 78 HA3 GLY 78 3.556 -0.105 -3.757 518 H LEU 79 H LEU 79 2.183 -2.031 -4.653 519 HA LEU 79 HA LEU 79 2.984 -4.343 -3.486 520 HB2 LEU 79 HB2 LEU 79 0.911 -3.481 -5.325 521 HB3 LEU 79 HB3 LEU 79 1.387 -5.140 -5.629 522 HG LEU 79 HG LEU 79 1.101 -5.407 -3.026 523 HD11 LEU 79 HD11 LEU 79 0.756 -2.966 -2.659 524 HD12 LEU 79 HD12 LEU 79 -0.783 -3.093 -3.544 525 HD13 LEU 79 HD13 LEU 79 -0.554 -3.989 -2.023 526 HD21 LEU 79 HD21 LEU 79 -1.597 -5.316 -3.956 527 HD22 LEU 79 HD22 LEU 79 -0.554 -5.850 -5.296 528 HD23 LEU 79 HD23 LEU 79 -0.529 -6.724 -3.745 529 H SER 80 H SER 80 3.849 -3.069 -6.693 530 HA SER 80 HA SER 80 4.806 -5.456 -7.736 531 HB2 SER 80 HB2 SER 80 4.380 -3.028 -8.781 532 HB3 SER 80 HB3 SER 80 6.088 -2.821 -8.450 533 HG SER 80 HG SER 80 4.813 -4.737 -10.181 534 H VAL 81 H VAL 81 6.825 -2.606 -6.705 535 HA VAL 81 HA VAL 81 9.203 -3.928 -6.533 536 HB VAL 81 HB VAL 81 8.747 -1.473 -6.404 537 HG11 VAL 81 HG11 VAL 81 7.052 -1.288 -4.756 538 HG12 VAL 81 HG12 VAL 81 8.004 -2.200 -3.560 539 HG13 VAL 81 HG13 VAL 81 8.508 -0.560 -4.035 540 HG21 VAL 81 HG21 VAL 81 10.971 -1.787 -6.063 541 HG22 VAL 81 HG22 VAL 81 10.564 -1.228 -4.423 542 HG23 VAL 81 HG23 VAL 81 10.720 -2.969 -4.757 543 H THR 82 H THR 82 6.410 -4.075 -4.380 544 HA THR 82 HA THR 82 7.757 -5.040 -2.096 545 HB THR 82 HB THR 82 4.896 -5.111 -3.154 546 HG1 THR 82 HG1 THR 82 4.908 -3.280 -1.882 547 HG21 THR 82 HG21 THR 82 5.813 -6.983 -1.315 548 HG22 THR 82 HG22 THR 82 5.379 -5.617 -0.260 549 HG23 THR 82 HG23 THR 82 4.158 -6.330 -1.341 550 H SER 83 H SER 83 5.421 -7.058 -3.941 551 HA SER 83 HA SER 83 6.305 -9.420 -3.152 552 HB2 SER 83 HB2 SER 83 4.424 -8.739 -4.853 553 HB3 SER 83 HB3 SER 83 5.639 -9.019 -6.084 554 HG SER 83 HG SER 83 5.815 -11.196 -5.456 555 H LYS 84 H LYS 84 7.683 -7.458 -5.860 556 HA LYS 84 HA LYS 84 9.473 -9.265 -6.865 557 HB2 LYS 84 HB2 LYS 84 8.923 -6.505 -7.113 558 HB3 LYS 84 HB3 LYS 84 10.636 -6.619 -6.764 559 HG2 LYS 84 HG2 LYS 84 10.330 -8.680 -8.585 560 HG3 LYS 84 HG3 LYS 84 9.126 -7.543 -9.160 561 HD2 LYS 84 HD2 LYS 84 10.737 -5.826 -9.536 562 HD3 LYS 84 HD3 LYS 84 11.922 -6.574 -8.484 563 HE2 LYS 84 HE2 LYS 84 11.341 -8.514 -10.498 564 HE3 LYS 84 HE3 LYS 84 11.494 -6.984 -11.340 565 HZ1 LYS 84 HZ1 LYS 84 13.699 -6.950 -10.926 566 HZ2 LYS 84 HZ2 LYS 84 13.538 -7.342 -9.353 567 HZ3 LYS 84 HZ3 LYS 84 13.520 -8.517 -10.492 568 H VAL 85 H VAL 85 10.036 -6.878 -4.182 569 HA VAL 85 HA VAL 85 12.611 -7.749 -3.603 570 HB VAL 85 HB VAL 85 10.980 -5.741 -2.807 571 HG11 VAL 85 HG11 VAL 85 11.333 -7.378 -0.287 572 HG12 VAL 85 HG12 VAL 85 10.388 -5.889 -0.524 573 HG13 VAL 85 HG13 VAL 85 9.835 -7.418 -1.248 574 HG21 VAL 85 HG21 VAL 85 13.626 -6.778 -1.924 575 HG22 VAL 85 HG22 VAL 85 13.182 -5.204 -2.627 576 HG23 VAL 85 HG23 VAL 85 12.875 -5.528 -0.904 577 H ILE 86 H ILE 86 9.422 -9.083 -2.839 578 HA ILE 86 HA ILE 86 10.369 -10.752 -0.732 579 HB ILE 86 HB ILE 86 7.836 -10.884 -2.371 580 HG12 ILE 86 HG12 ILE 86 8.239 -8.699 -1.206 581 HG13 ILE 86 HG13 ILE 86 6.786 -9.546 -0.713 582 HG21 ILE 86 HG21 ILE 86 8.704 -12.912 -0.925 583 HG22 ILE 86 HG22 ILE 86 8.073 -11.932 0.420 584 HG23 ILE 86 HG23 ILE 86 6.992 -12.427 -0.905 585 HD11 ILE 86 HD11 ILE 86 9.229 -10.222 0.862 586 HD12 ILE 86 HD12 ILE 86 8.631 -8.556 1.045 587 HD13 ILE 86 HD13 ILE 86 7.562 -9.930 1.415 588 H GLY 87 H GLY 87 9.191 -11.464 -4.101 589 HA2 GLY 87 HA2 GLY 87 11.288 -12.952 -4.992 590 HA3 GLY 87 HA3 GLY 87 10.363 -14.089 -4.031 591 H GLY 88 H GLY 88 7.831 -13.958 -4.462 592 HA2 GLY 88 HA2 GLY 88 6.182 -13.382 -6.138 593 HA3 GLY 88 HA3 GLY 88 7.408 -13.613 -7.369 594 H PHE 89 H PHE 89 8.630 -15.959 -6.947 595 HA PHE 89 HA PHE 89 6.900 -17.859 -7.825 596 HB2 PHE 89 HB2 PHE 89 8.747 -19.401 -7.217 597 HB3 PHE 89 HB3 PHE 89 9.449 -17.885 -7.748 598 HD1 PHE 89 HD2 PHE 89 8.612 -19.885 -4.753 599 HD2 PHE 89 HD1 PHE 89 10.796 -16.590 -6.295 600 HE1 PHE 89 HE2 PHE 89 9.883 -19.717 -2.595 601 HE2 PHE 89 HE1 PHE 89 12.067 -16.422 -4.137 602 HZ PHE 89 HZ PHE 89 11.596 -17.988 -2.313 603 H ALA 90 H ALA 90 7.655 -16.929 -4.447 604 HA ALA 90 HA ALA 90 6.724 -17.476 -2.517 605 HB1 ALA 90 HB1 ALA 90 4.383 -18.565 -4.122 606 HB2 ALA 90 HB2 ALA 90 4.363 -17.915 -2.465 607 HB3 ALA 90 HB3 ALA 90 4.655 -16.828 -3.844 608 H GLY 91 H GLY 91 7.888 -19.039 -1.495 609 HA2 GLY 91 HA2 GLY 91 7.003 -21.686 -1.382 610 HA3 GLY 91 HA3 GLY 91 8.317 -21.620 -2.540 611 H THR 92 H THR 92 7.391 -21.339 0.856 612 HA THR 92 HA THR 92 8.569 -21.306 2.742 613 HB THR 92 HB THR 92 10.791 -22.379 0.923 614 HG1 THR 92 HG1 THR 92 9.672 -24.324 1.295 615 HG21 THR 92 HG21 THR 92 11.646 -21.815 3.193 616 HG22 THR 92 HG22 THR 92 10.267 -22.667 3.929 617 HG23 THR 92 HG23 THR 92 11.493 -23.580 3.016 618 H ALA 93 H ALA 93 8.246 -18.925 2.572 619 HA ALA 93 HA ALA 93 10.731 -17.652 3.084 620 HB1 ALA 93 HB1 ALA 93 11.136 -17.273 0.848 621 HB2 ALA 93 HB2 ALA 93 9.412 -17.338 0.411 622 HB3 ALA 93 HB3 ALA 93 10.081 -15.879 1.181 623 H LEU 94 H LEU 94 10.129 -15.057 3.172 624 HA LEU 94 HA LEU 94 9.003 -13.525 4.293 625 HB2 LEU 94 HB2 LEU 94 7.356 -14.210 2.411 626 HB3 LEU 94 HB3 LEU 94 6.432 -14.957 3.699 627 HG LEU 94 HG LEU 94 7.234 -12.156 4.213 628 HD11 LEU 94 HD11 LEU 94 6.817 -11.715 1.963 629 HD12 LEU 94 HD12 LEU 94 5.495 -12.903 1.870 630 HD13 LEU 94 HD13 LEU 94 5.259 -11.376 2.753 631 HD21 LEU 94 HD21 LEU 94 4.653 -13.720 4.475 632 HD22 LEU 94 HD22 LEU 94 5.804 -13.305 5.768 633 HD23 LEU 94 HD23 LEU 94 4.868 -12.022 4.965 634 H GLY 95 H GLY 95 10.091 -14.341 6.234 635 HA2 GLY 95 HA2 GLY 95 8.616 -14.487 8.466 636 HA3 GLY 95 HA3 GLY 95 8.600 -16.157 7.935 637 H ALA 96 H ALA 96 10.631 -17.353 7.749 638 HA ALA 96 HA ALA 96 12.617 -16.301 9.602 639 HB1 ALA 96 HB1 ALA 96 11.416 -18.804 9.209 640 HB2 ALA 96 HB2 ALA 96 13.063 -18.995 8.561 641 HB3 ALA 96 HB3 ALA 96 12.825 -18.452 10.239 642 H TRP 97 H TRP 97 13.182 -14.647 7.845 643 HA TRP 97 HA TRP 97 14.642 -13.905 6.357 644 HB2 TRP 97 HB2 TRP 97 15.995 -16.555 6.876 645 HB3 TRP 97 HB3 TRP 97 16.677 -15.293 5.870 646 HD1 TRP 97 HD1 TRP 97 16.422 -16.325 9.475 647 HE1 TRP 97 HE1 TRP 97 17.547 -14.587 11.112 648 HE3 TRP 97 HE3 TRP 97 16.959 -12.629 6.025 649 HZ2 TRP 97 HZ2 TRP 97 18.514 -11.922 10.787 650 HZ3 TRP 97 HZ3 TRP 97 18.004 -10.490 6.767 651 HH2 TRP 97 HH2 TRP 97 18.769 -10.105 9.056 652 H LEU 98 H LEU 98 15.263 -14.137 4.013 653 HA LEU 98 HA LEU 98 13.236 -15.726 2.672 654 HB2 LEU 98 HB2 LEU 98 14.289 -13.170 2.315 655 HB3 LEU 98 HB3 LEU 98 14.953 -14.100 0.987 656 HG LEU 98 HG LEU 98 12.130 -14.668 1.277 657 HD11 LEU 98 HD11 LEU 98 12.927 -11.758 1.149 658 HD12 LEU 98 HD12 LEU 98 11.376 -12.359 0.518 659 HD13 LEU 98 HD13 LEU 98 11.768 -12.550 2.243 660 HD21 LEU 98 HD21 LEU 98 13.293 -13.167 -1.035 661 HD22 LEU 98 HD22 LEU 98 13.849 -14.827 -0.715 662 HD23 LEU 98 HD23 LEU 98 12.122 -14.507 -1.008 663 H GLY 99 H GLY 99 14.193 -16.485 0.317 664 HA2 GLY 99 HA2 GLY 99 16.511 -18.190 1.003 665 HA3 GLY 99 HA3 GLY 99 15.181 -18.666 -0.033 666 H SER 100 H SER 100 17.215 -19.131 -1.451 667 HA SER 100 HA SER 100 18.408 -18.679 -3.206 668 HB2 SER 100 HB2 SER 100 16.045 -17.685 -3.857 669 HB3 SER 100 HB3 SER 100 16.855 -16.135 -3.740 670 HG SER 100 HG SER 100 17.496 -16.521 -5.743 671 HA PRO 101 HA PRO 101 21.117 -15.728 -1.273 672 HB2 PRO 101 HB2 PRO 101 23.458 -16.982 -1.918 673 HB3 PRO 101 HB3 PRO 101 22.557 -17.328 -0.455 674 HG2 PRO 101 HG2 PRO 101 22.772 -18.940 -2.924 675 HG3 PRO 101 HG3 PRO 101 22.247 -19.440 -1.329 676 HD2 PRO 101 HD2 PRO 101 20.574 -18.908 -3.598 677 HD3 PRO 101 HD3 PRO 101 20.045 -19.296 -1.973 678 HA PRO 102 HA PRO 102 22.471 -13.327 -4.503 679 HB2 PRO 102 HB2 PRO 102 24.821 -12.208 -3.673 680 HB3 PRO 102 HB3 PRO 102 23.250 -11.634 -3.151 681 HG2 PRO 102 HG2 PRO 102 25.231 -13.233 -1.649 682 HG3 PRO 102 HG3 PRO 102 23.878 -12.303 -1.035 683 HD2 PRO 102 HD2 PRO 102 24.010 -15.153 -1.325 684 HD3 PRO 102 HD3 PRO 102 22.619 -14.214 -0.821 685 H SER 103 H SER 103 22.706 -15.704 -5.429 686 HA SER 103 HA SER 103 23.765 -16.948 -6.856 687 HB2 SER 103 HB2 SER 103 24.613 -14.286 -7.481 688 HB3 SER 103 HB3 SER 103 26.024 -15.311 -7.649 689 HG SER 103 HG SER 103 24.579 -15.076 -9.591 690 H SER 104 H SER 104 25.575 -18.449 -7.019 691 HA SER 104 HA SER 104 27.107 -19.707 -6.123 692 HB2 SER 104 HB2 SER 104 28.273 -17.155 -6.580 693 HB3 SER 104 HB3 SER 104 28.907 -17.685 -5.034 694 HG SER 104 HG SER 104 30.273 -18.490 -6.665 Start of MODEL 16 1 H MET 1 H1 MET 1 -15.800 -9.284 -6.515 2 HA MET 1 HA MET 1 -14.449 -11.834 -6.879 3 HB2 MET 1 HB2 MET 1 -16.555 -11.169 -4.958 4 HB3 MET 1 HB3 MET 1 -17.176 -12.338 -6.106 5 HG2 MET 1 HG2 MET 1 -14.555 -13.247 -5.458 6 HG3 MET 1 HG3 MET 1 -15.256 -12.736 -3.935 7 HE1 MET 1 HE1 MET 1 -14.516 -15.443 -3.928 8 HE2 MET 1 HE2 MET 1 -15.747 -15.052 -2.703 9 HE3 MET 1 HE3 MET 1 -15.921 -16.512 -3.706 10 H GLY 2 H GLY 2 -14.581 -12.281 -9.035 11 HA2 GLY 2 HA2 GLY 2 -17.172 -11.784 -10.364 12 HA3 GLY 2 HA3 GLY 2 -15.662 -11.273 -11.093 13 H LYS 3 H LYS 3 -13.867 -13.208 -10.939 14 HA LYS 3 HA LYS 3 -14.808 -15.837 -11.089 15 HB2 LYS 3 HB2 LYS 3 -15.945 -15.001 -13.127 16 HB3 LYS 3 HB3 LYS 3 -14.395 -14.531 -13.795 17 HG2 LYS 3 HG2 LYS 3 -14.906 -16.702 -14.714 18 HG3 LYS 3 HG3 LYS 3 -13.629 -16.948 -13.540 19 HD2 LYS 3 HD2 LYS 3 -16.450 -17.151 -12.524 20 HD3 LYS 3 HD3 LYS 3 -15.900 -18.439 -13.577 21 HE2 LYS 3 HE2 LYS 3 -14.473 -19.294 -11.998 22 HE3 LYS 3 HE3 LYS 3 -13.906 -17.709 -11.509 23 HZ1 LYS 3 HZ1 LYS 3 -15.154 -18.681 -9.710 24 HZ2 LYS 3 HZ2 LYS 3 -16.047 -17.447 -10.284 25 HZ3 LYS 3 HZ3 LYS 3 -16.417 -18.985 -10.705 26 H GLU 4 H GLU 4 -12.917 -15.606 -9.595 27 HA GLU 4 HA GLU 4 -10.558 -16.259 -11.086 28 HB2 GLU 4 HB2 GLU 4 -10.908 -13.649 -9.817 29 HB3 GLU 4 HB3 GLU 4 -9.558 -14.505 -9.099 30 HG2 GLU 4 HG2 GLU 4 -9.665 -14.697 -12.065 31 HG3 GLU 4 HG3 GLU 4 -9.450 -13.064 -11.467 32 H SER 5 H SER 5 -11.824 -15.445 -7.773 33 HA SER 5 HA SER 5 -11.503 -16.396 -5.835 34 HB2 SER 5 HB2 SER 5 -13.123 -17.967 -6.878 35 HB3 SER 5 HB3 SER 5 -11.802 -18.941 -7.491 36 HG SER 5 HG SER 5 -11.222 -18.828 -4.958 37 H GLY 6 H GLY 6 -9.221 -15.622 -5.747 38 HA2 GLY 6 HA2 GLY 6 -7.394 -17.872 -5.421 39 HA3 GLY 6 HA3 GLY 6 -6.949 -16.668 -6.614 40 H TRP 7 H TRP 7 -7.682 -14.244 -5.549 41 HA TRP 7 HA TRP 7 -5.654 -13.628 -3.829 42 HB2 TRP 7 HB2 TRP 7 -7.328 -12.169 -5.219 43 HB3 TRP 7 HB3 TRP 7 -8.240 -12.119 -3.722 44 HD1 TRP 7 HD1 TRP 7 -4.605 -11.271 -4.891 45 HE1 TRP 7 HE1 TRP 7 -3.649 -9.228 -3.521 46 HE3 TRP 7 HE3 TRP 7 -8.619 -10.785 -1.807 47 HZ2 TRP 7 HZ2 TRP 7 -4.655 -7.674 -1.349 48 HZ3 TRP 7 HZ3 TRP 7 -8.551 -8.979 -0.089 49 HH2 TRP 7 HH2 TRP 7 -6.658 -7.454 0.167 50 H ASP 8 H ASP 8 -9.166 -14.138 -3.004 51 HA ASP 8 HA ASP 8 -10.156 -14.754 -1.177 52 HB2 ASP 8 HB2 ASP 8 -8.539 -16.746 -1.528 53 HB3 ASP 8 HB3 ASP 8 -7.543 -16.037 -0.273 54 H SER 9 H SER 9 -10.115 -14.527 1.355 55 HA SER 9 HA SER 9 -8.039 -12.758 2.278 56 HB2 SER 9 HB2 SER 9 -9.661 -11.080 3.128 57 HB3 SER 9 HB3 SER 9 -9.699 -11.189 1.379 58 HG SER 9 HG SER 9 -11.615 -12.474 1.508 59 H GLY 10 H GLY 10 -11.357 -13.990 3.162 60 HA2 GLY 10 HA2 GLY 10 -12.081 -15.173 4.929 61 HA3 GLY 10 HA3 GLY 10 -10.454 -15.803 5.101 62 H ARG 11 H ARG 11 -10.665 -15.715 7.442 63 HA ARG 11 HA ARG 11 -11.144 -13.183 8.629 64 HB2 ARG 11 HB2 ARG 11 -10.691 -15.993 9.544 65 HB3 ARG 11 HB3 ARG 11 -10.143 -14.764 10.666 66 HG2 ARG 11 HG2 ARG 11 -12.735 -13.967 9.661 67 HG3 ARG 11 HG3 ARG 11 -12.840 -15.642 10.167 68 HD2 ARG 11 HD2 ARG 11 -11.360 -14.479 12.237 69 HD3 ARG 11 HD3 ARG 11 -12.480 -13.201 11.809 70 HE ARG 11 HE ARG 11 -13.146 -15.620 13.199 71 HH11 ARG 11 HH22 ARG 11 -14.439 -13.494 10.676 72 HH12 ARG 11 HH21 ARG 11 -16.089 -13.909 10.998 73 HH21 ARG 11 HH12 ARG 11 -15.293 -16.151 13.606 74 HH22 ARG 11 HH11 ARG 11 -16.572 -15.434 12.680 75 H ALA 12 H ALA 12 -8.335 -15.479 8.366 76 HA ALA 12 HA ALA 12 -6.444 -14.139 9.748 77 HB1 ALA 12 HB1 ALA 12 -6.510 -16.313 8.115 78 HB2 ALA 12 HB2 ALA 12 -5.588 -15.182 7.095 79 HB3 ALA 12 HB3 ALA 12 -5.004 -15.587 8.727 80 H ALA 13 H ALA 13 -7.997 -13.192 6.717 81 HA ALA 13 HA ALA 13 -6.230 -11.550 5.532 82 HB1 ALA 13 HB1 ALA 13 -8.342 -11.764 4.532 83 HB2 ALA 13 HB2 ALA 13 -9.204 -11.346 6.032 84 HB3 ALA 13 HB3 ALA 13 -8.352 -10.081 5.114 85 H VAL 14 H VAL 14 -8.405 -10.603 8.290 86 HA VAL 14 HA VAL 14 -7.575 -8.048 8.632 87 HB VAL 14 HB VAL 14 -8.381 -8.215 10.846 88 HG11 VAL 14 HG11 VAL 14 -9.897 -8.883 8.767 89 HG12 VAL 14 HG12 VAL 14 -9.988 -10.432 9.638 90 HG13 VAL 14 HG13 VAL 14 -10.521 -8.931 10.433 91 HG21 VAL 14 HG21 VAL 14 -7.816 -11.190 10.648 92 HG22 VAL 14 HG22 VAL 14 -7.050 -10.006 11.734 93 HG23 VAL 14 HG23 VAL 14 -8.762 -10.440 11.956 94 H ALA 15 H ALA 15 -6.009 -11.045 9.932 95 HA ALA 15 HA ALA 15 -4.001 -9.814 11.362 96 HB1 ALA 15 HB1 ALA 15 -3.134 -11.944 11.542 97 HB2 ALA 15 HB2 ALA 15 -4.772 -12.346 10.975 98 HB3 ALA 15 HB3 ALA 15 -3.414 -12.322 9.825 99 H ALA 16 H ALA 16 -4.170 -10.696 7.861 100 HA ALA 16 HA ALA 16 -1.545 -9.957 7.251 101 HB1 ALA 16 HB1 ALA 16 -2.980 -9.532 4.938 102 HB2 ALA 16 HB2 ALA 16 -2.384 -11.115 5.491 103 HB3 ALA 16 HB3 ALA 16 -4.057 -10.622 5.843 104 H VAL 17 H VAL 17 -4.537 -8.108 7.751 105 HA VAL 17 HA VAL 17 -3.441 -5.728 6.567 106 HB VAL 17 HB VAL 17 -5.913 -6.113 8.265 107 HG11 VAL 17 HG11 VAL 17 -5.068 -3.765 7.941 108 HG12 VAL 17 HG12 VAL 17 -5.316 -3.980 6.192 109 HG13 VAL 17 HG13 VAL 17 -6.703 -4.062 7.303 110 HG21 VAL 17 HG21 VAL 17 -6.453 -7.527 6.553 111 HG22 VAL 17 HG22 VAL 17 -6.917 -5.988 5.789 112 HG23 VAL 17 HG23 VAL 17 -5.350 -6.738 5.400 113 H VAL 18 H VAL 18 -3.316 -7.395 9.621 114 HA VAL 18 HA VAL 18 -2.872 -5.039 11.189 115 HB VAL 18 HB VAL 18 -2.688 -8.008 11.653 116 HG11 VAL 18 HG11 VAL 18 -1.283 -5.945 13.106 117 HG12 VAL 18 HG12 VAL 18 -2.513 -6.700 14.148 118 HG13 VAL 18 HG13 VAL 18 -1.279 -7.708 13.355 119 HG21 VAL 18 HG21 VAL 18 -4.428 -5.928 13.006 120 HG22 VAL 18 HG22 VAL 18 -4.917 -6.815 11.543 121 HG23 VAL 18 HG23 VAL 18 -4.595 -7.699 13.054 122 H GLY 19 H GLY 19 -0.786 -7.870 10.244 123 HA2 GLY 19 HA2 GLY 19 1.629 -6.842 11.093 124 HA3 GLY 19 HA3 GLY 19 1.411 -7.988 9.786 125 H GLY 20 H GLY 20 2.643 -4.961 10.563 126 HA2 GLY 20 HA2 GLY 20 3.876 -3.896 8.759 127 HA3 GLY 20 HA3 GLY 20 2.456 -4.072 7.747 128 H VAL 21 H VAL 21 1.545 -3.421 10.995 129 HA VAL 21 HA VAL 21 0.180 -1.158 10.537 130 HB VAL 21 HB VAL 21 0.868 -0.665 13.041 131 HG11 VAL 21 HG11 VAL 21 -0.615 -2.935 13.475 132 HG12 VAL 21 HG12 VAL 21 -1.276 -1.350 13.006 133 HG13 VAL 21 HG13 VAL 21 -0.964 -2.588 11.765 134 HG21 VAL 21 HG21 VAL 21 2.646 -2.741 12.450 135 HG22 VAL 21 HG22 VAL 21 2.234 -2.111 14.063 136 HG23 VAL 21 HG23 VAL 21 1.355 -3.512 13.403 137 H VAL 22 H VAL 22 3.409 -1.005 12.195 138 HA VAL 22 HA VAL 22 3.845 1.639 11.962 139 HB VAL 22 HB VAL 22 5.779 -0.666 11.700 140 HG11 VAL 22 HG11 VAL 22 7.570 0.892 12.271 141 HG12 VAL 22 HG12 VAL 22 6.774 1.390 10.759 142 HG13 VAL 22 HG13 VAL 22 6.416 2.247 12.277 143 HG21 VAL 22 HG21 VAL 22 4.356 -0.405 13.797 144 HG22 VAL 22 HG22 VAL 22 6.119 -0.454 14.038 145 HG23 VAL 22 HG23 VAL 22 5.255 1.101 14.102 146 H ALA 23 H ALA 23 4.271 -0.863 9.413 147 HA ALA 23 HA ALA 23 5.593 0.633 7.533 148 HB1 ALA 23 HB1 ALA 23 3.403 -1.107 6.536 149 HB2 ALA 23 HB2 ALA 23 5.149 -1.153 6.192 150 HB3 ALA 23 HB3 ALA 23 4.518 -1.876 7.691 151 H VAL 24 H VAL 24 2.003 0.305 8.003 152 HA VAL 24 HA VAL 24 1.366 2.176 6.015 153 HB VAL 24 HB VAL 24 -0.817 1.893 6.703 154 HG11 VAL 24 HG11 VAL 24 -1.024 -0.350 6.577 155 HG12 VAL 24 HG12 VAL 24 0.753 -0.335 6.469 156 HG13 VAL 24 HG13 VAL 24 -0.042 -0.626 8.035 157 HG21 VAL 24 HG21 VAL 24 0.307 2.093 9.383 158 HG22 VAL 24 HG22 VAL 24 -1.335 2.460 8.803 159 HG23 VAL 24 HG23 VAL 24 -0.908 0.797 9.271 160 H GLY 25 H GLY 25 2.562 2.473 9.298 161 HA2 GLY 25 HA2 GLY 25 1.553 5.082 9.833 162 HA3 GLY 25 HA3 GLY 25 2.846 4.244 10.668 163 H THR 26 H THR 26 4.768 3.791 8.721 164 HA THR 26 HA THR 26 5.973 6.319 8.502 165 HB THR 26 HB THR 26 6.520 3.589 7.228 166 HG1 THR 26 HG1 THR 26 7.951 3.542 9.064 167 HG21 THR 26 HG21 THR 26 7.688 6.084 6.507 168 HG22 THR 26 HG22 THR 26 8.829 5.340 7.653 169 HG23 THR 26 HG23 THR 26 8.351 4.466 6.177 170 H VAL 27 H VAL 27 4.403 4.217 6.003 171 HA VAL 27 HA VAL 27 4.831 5.934 3.877 172 HB VAL 27 HB VAL 27 4.086 3.576 3.783 173 HG11 VAL 27 HG11 VAL 27 1.845 2.911 4.190 174 HG12 VAL 27 HG12 VAL 27 2.334 3.871 5.607 175 HG13 VAL 27 HG13 VAL 27 1.293 4.595 4.358 176 HG21 VAL 27 HG21 VAL 27 3.916 5.087 1.825 177 HG22 VAL 27 HG22 VAL 27 2.661 3.825 1.827 178 HG23 VAL 27 HG23 VAL 27 2.250 5.490 2.303 179 H LEU 28 H LEU 28 2.035 5.718 6.177 180 HA LEU 28 HA LEU 28 0.531 7.738 5.026 181 HB2 LEU 28 HB2 LEU 28 -0.235 6.098 6.702 182 HB3 LEU 28 HB3 LEU 28 0.706 6.922 7.930 183 HG LEU 28 HG LEU 28 -1.239 8.598 6.430 184 HD11 LEU 28 HD11 LEU 28 -2.867 7.045 6.643 185 HD12 LEU 28 HD12 LEU 28 -2.032 6.181 7.957 186 HD13 LEU 28 HD13 LEU 28 -2.931 7.677 8.306 187 HD21 LEU 28 HD21 LEU 28 -1.592 9.574 8.657 188 HD22 LEU 28 HD22 LEU 28 -0.501 8.356 9.360 189 HD23 LEU 28 HD23 LEU 28 0.129 9.553 8.203 190 H VAL 29 H VAL 29 3.252 7.849 7.370 191 HA VAL 29 HA VAL 29 3.004 10.555 8.011 192 HB VAL 29 HB VAL 29 5.340 8.642 7.978 193 HG11 VAL 29 HG11 VAL 29 6.625 10.212 9.252 194 HG12 VAL 29 HG12 VAL 29 6.055 11.053 7.790 195 HG13 VAL 29 HG13 VAL 29 5.256 11.344 9.353 196 HG21 VAL 29 HG21 VAL 29 4.402 9.591 10.566 197 HG22 VAL 29 HG22 VAL 29 3.097 8.813 9.638 198 HG23 VAL 29 HG23 VAL 29 4.606 7.928 9.966 199 H ALA 30 H ALA 30 4.591 8.821 5.299 200 HA ALA 30 HA ALA 30 5.906 11.127 4.304 201 HB1 ALA 30 HB1 ALA 30 5.624 9.367 2.183 202 HB2 ALA 30 HB2 ALA 30 6.946 9.346 3.375 203 HB3 ALA 30 HB3 ALA 30 5.529 8.292 3.599 204 H LEU 31 H LEU 31 2.666 9.701 3.989 205 HA LEU 31 HA LEU 31 1.957 11.146 1.660 206 HB2 LEU 31 HB2 LEU 31 0.885 9.103 3.242 207 HB3 LEU 31 HB3 LEU 31 -0.261 10.422 3.375 208 HG LEU 31 HG LEU 31 0.727 9.614 0.658 209 HD11 LEU 31 HD11 LEU 31 -1.439 8.115 0.690 210 HD12 LEU 31 HD12 LEU 31 0.128 7.482 1.249 211 HD13 LEU 31 HD13 LEU 31 -1.085 8.026 2.432 212 HD21 LEU 31 HD21 LEU 31 -2.024 10.527 1.510 213 HD22 LEU 31 HD22 LEU 31 -0.710 11.659 1.109 214 HD23 LEU 31 HD23 LEU 31 -1.308 10.519 -0.120 215 H SER 32 H SER 32 1.846 11.767 5.182 216 HA SER 32 HA SER 32 0.308 14.135 4.802 217 HB2 SER 32 HB2 SER 32 0.149 12.741 6.868 218 HB3 SER 32 HB3 SER 32 1.819 13.111 7.248 219 HG SER 32 HG SER 32 0.770 15.494 6.899 220 H ALA 33 H ALA 33 3.528 13.641 6.429 221 HA ALA 33 HA ALA 33 4.336 16.286 6.060 222 HB1 ALA 33 HB1 ALA 33 6.583 14.489 6.231 223 HB2 ALA 33 HB2 ALA 33 5.904 15.550 7.488 224 HB3 ALA 33 HB3 ALA 33 5.280 13.895 7.288 225 H MET 34 H MET 34 6.965 16.078 4.969 226 HA MET 34 HA MET 34 8.074 16.106 3.095 227 HB2 MET 34 HB2 MET 34 6.263 13.843 2.757 228 HB3 MET 34 HB3 MET 34 6.441 14.648 1.211 229 HG2 MET 34 HG2 MET 34 8.895 14.458 1.330 230 HG3 MET 34 HG3 MET 34 8.806 13.818 2.959 231 HE1 MET 34 HE1 MET 34 9.527 10.543 2.271 232 HE2 MET 34 HE2 MET 34 10.288 11.387 0.901 233 HE3 MET 34 HE3 MET 34 10.184 12.182 2.491 234 H GLY 35 H GLY 35 5.919 18.043 3.723 235 HA2 GLY 35 HA2 GLY 35 5.994 19.701 1.566 236 HA3 GLY 35 HA3 GLY 35 4.592 18.696 1.257 237 H PHE 36 H PHE 36 3.045 18.404 3.247 238 HA PHE 36 HA PHE 36 3.068 20.736 4.977 239 HB2 PHE 36 HB2 PHE 36 1.529 20.481 2.560 240 HB3 PHE 36 HB3 PHE 36 0.397 20.162 3.860 241 HD1 PHE 36 HD1 PHE 36 2.989 22.640 2.836 242 HD2 PHE 36 HD2 PHE 36 -0.647 21.945 4.910 243 HE1 PHE 36 HE1 PHE 36 2.735 25.108 3.220 244 HE2 PHE 36 HE2 PHE 36 -0.901 24.412 5.294 245 HZ PHE 36 HZ PHE 36 0.793 25.964 4.444 246 H THR 37 H THR 37 3.151 19.624 6.904 247 HA THR 37 HA THR 37 1.967 17.117 7.317 248 HB THR 37 HB THR 37 2.645 17.513 9.628 249 HG1 THR 37 HG1 THR 37 2.831 20.294 8.707 250 HG21 THR 37 HG21 THR 37 4.426 18.026 7.482 251 HG22 THR 37 HG22 THR 37 4.665 19.386 8.606 252 HG23 THR 37 HG23 THR 37 4.880 17.713 9.175 253 H SER 38 H SER 38 0.399 16.945 9.414 254 HA SER 38 HA SER 38 -1.950 18.396 8.517 255 HB2 SER 38 HB2 SER 38 -1.442 15.672 9.385 256 HB3 SER 38 HB3 SER 38 -2.650 16.392 10.430 257 HG SER 38 HG SER 38 -3.287 15.302 8.253 258 H VAL 39 H VAL 39 -1.057 16.905 11.705 259 HA VAL 39 HA VAL 39 -1.590 17.683 13.757 260 HB VAL 39 HB VAL 39 0.241 19.876 12.768 261 HG11 VAL 39 HG11 VAL 39 0.531 20.500 14.905 262 HG12 VAL 39 HG12 VAL 39 -0.959 19.585 15.241 263 HG13 VAL 39 HG13 VAL 39 0.629 18.817 15.476 264 HG21 VAL 39 HG21 VAL 39 1.654 18.210 12.248 265 HG22 VAL 39 HG22 VAL 39 1.833 17.991 14.005 266 HG23 VAL 39 HG23 VAL 39 0.674 16.991 13.097 267 H GLY 40 H GLY 40 -1.067 21.004 13.528 268 HA2 GLY 40 HA2 GLY 40 -3.474 21.858 14.389 269 HA3 GLY 40 HA3 GLY 40 -2.413 22.816 13.375 270 H ILE 41 H ILE 41 -2.479 21.771 10.885 271 HA ILE 41 HA ILE 41 -4.855 22.634 9.834 272 HB ILE 41 HB ILE 41 -2.830 20.687 8.732 273 HG12 ILE 41 HG12 ILE 41 -3.083 23.575 7.950 274 HG13 ILE 41 HG13 ILE 41 -2.263 23.159 9.442 275 HG21 ILE 41 HG21 ILE 41 -4.668 22.305 7.003 276 HG22 ILE 41 HG22 ILE 41 -3.790 20.799 6.643 277 HG23 ILE 41 HG23 ILE 41 -5.230 20.761 7.688 278 HD11 ILE 41 HD11 ILE 41 -0.535 22.016 8.350 279 HD12 ILE 41 HD12 ILE 41 -1.542 21.643 6.930 280 HD13 ILE 41 HD13 ILE 41 -0.908 23.290 7.164 281 H ALA 42 H ALA 42 -3.866 19.297 10.787 282 HA ALA 42 HA ALA 42 -6.093 17.975 9.810 283 HB1 ALA 42 HB1 ALA 42 -5.318 16.698 12.202 284 HB2 ALA 42 HB2 ALA 42 -4.740 16.342 10.557 285 HB3 ALA 42 HB3 ALA 42 -3.844 17.484 11.587 286 H ALA 43 H ALA 43 -5.560 19.817 12.849 287 HA ALA 43 HA ALA 43 -8.024 19.035 14.012 288 HB1 ALA 43 HB1 ALA 43 -7.142 20.096 15.796 289 HB2 ALA 43 HB2 ALA 43 -5.686 20.345 14.802 290 HB3 ALA 43 HB3 ALA 43 -6.935 21.611 14.885 291 H SER 44 H SER 44 -6.993 21.463 11.655 292 HA SER 44 HA SER 44 -9.218 23.138 12.007 293 HB2 SER 44 HB2 SER 44 -6.957 22.863 10.088 294 HB3 SER 44 HB3 SER 44 -8.395 23.608 9.419 295 HG SER 44 HG SER 44 -6.606 24.572 11.373 296 H SER 45 H SER 45 -8.424 20.349 9.868 297 HA SER 45 HA SER 45 -10.700 20.603 8.274 298 HB2 SER 45 HB2 SER 45 -8.450 19.175 8.039 299 HB3 SER 45 HB3 SER 45 -9.420 17.920 8.785 300 HG SER 45 HG SER 45 -10.049 19.363 6.352 301 H ILE 46 H ILE 46 -9.897 18.477 11.111 302 HA ILE 46 HA ILE 46 -12.403 17.228 11.201 303 HB ILE 46 HB ILE 46 -10.348 16.351 12.203 304 HG12 ILE 46 HG12 ILE 46 -11.942 16.455 14.634 305 HG13 ILE 46 HG13 ILE 46 -12.958 16.241 13.222 306 HG21 ILE 46 HG21 ILE 46 -10.623 18.123 14.587 307 HG22 ILE 46 HG22 ILE 46 -9.192 17.298 13.924 308 HG23 ILE 46 HG23 ILE 46 -9.809 18.775 13.145 309 HD11 ILE 46 HD11 ILE 46 -10.743 14.464 14.254 310 HD12 ILE 46 HD12 ILE 46 -12.382 14.024 13.715 311 HD13 ILE 46 HD13 ILE 46 -11.135 14.445 12.518 312 H ALA 47 H ALA 47 -11.100 20.247 12.641 313 HA ALA 47 HA ALA 47 -13.231 20.730 14.378 314 HB1 ALA 47 HB1 ALA 47 -12.393 23.148 14.106 315 HB2 ALA 47 HB2 ALA 47 -11.211 21.944 14.674 316 HB3 ALA 47 HB3 ALA 47 -11.190 22.482 12.977 317 H ALA 48 H ALA 48 -12.703 21.458 10.894 318 HA ALA 48 HA ALA 48 -15.124 22.968 10.699 319 HB1 ALA 48 HB1 ALA 48 -14.447 23.356 8.509 320 HB2 ALA 48 HB2 ALA 48 -12.883 23.028 9.292 321 HB3 ALA 48 HB3 ALA 48 -13.689 21.754 8.346 322 H LYS 49 H LYS 49 -14.080 19.893 9.058 323 HA LYS 49 HA LYS 49 -15.321 18.240 8.231 324 HB2 LYS 49 HB2 LYS 49 -15.036 17.787 10.729 325 HB3 LYS 49 HB3 LYS 49 -16.702 18.294 10.922 326 HG2 LYS 49 HG2 LYS 49 -17.090 16.044 10.563 327 HG3 LYS 49 HG3 LYS 49 -17.082 16.560 8.888 328 HD2 LYS 49 HD2 LYS 49 -14.361 16.146 9.438 329 HD3 LYS 49 HD3 LYS 49 -15.147 14.861 10.334 330 HE2 LYS 49 HE2 LYS 49 -16.520 14.461 8.121 331 HE3 LYS 49 HE3 LYS 49 -15.271 15.419 7.350 332 HZ1 LYS 49 HZ1 LYS 49 -15.066 12.774 7.796 333 HZ2 LYS 49 HZ2 LYS 49 -13.776 13.746 7.586 334 HZ3 LYS 49 HZ3 LYS 49 -14.290 13.390 9.098 335 H MET 50 H MET 50 -16.292 19.799 6.656 336 HA MET 50 HA MET 50 -18.972 19.361 6.413 337 HB2 MET 50 HB2 MET 50 -18.530 21.326 8.374 338 HB3 MET 50 HB3 MET 50 -18.821 22.290 6.939 339 HG2 MET 50 HG2 MET 50 -21.045 21.968 7.294 340 HG3 MET 50 HG3 MET 50 -20.809 20.305 6.796 341 HE1 MET 50 HE1 MET 50 -21.593 22.748 9.534 342 HE2 MET 50 HE2 MET 50 -21.198 21.923 11.061 343 HE3 MET 50 HE3 MET 50 -19.892 22.511 10.004 344 H MET 51 H MET 51 -19.940 20.610 4.535 345 HA MET 51 HA MET 51 -19.792 21.289 2.475 346 HB2 MET 51 HB2 MET 51 -18.335 23.197 4.098 347 HB3 MET 51 HB3 MET 51 -17.489 23.066 2.568 348 HG2 MET 51 HG2 MET 51 -20.383 23.178 2.124 349 HG3 MET 51 HG3 MET 51 -19.861 24.543 3.090 350 HE1 MET 51 HE1 MET 51 -20.706 24.825 -0.530 351 HE2 MET 51 HE2 MET 51 -21.051 25.433 1.107 352 HE3 MET 51 HE3 MET 51 -20.043 26.391 -0.004 353 H SER 52 H SER 52 -19.149 19.737 1.032 354 HA SER 52 HA SER 52 -16.300 19.141 0.974 355 HB2 SER 52 HB2 SER 52 -16.913 17.007 -0.065 356 HB3 SER 52 HB3 SER 52 -17.810 17.218 1.425 357 HG SER 52 HG SER 52 -18.903 17.974 -1.140 358 H THR 53 H THR 53 -15.585 20.842 -0.402 359 HA THR 53 HA THR 53 -16.827 21.867 -2.595 360 HB THR 53 HB THR 53 -14.660 22.606 -1.482 361 HG1 THR 53 HG1 THR 53 -14.537 21.998 -4.351 362 HG21 THR 53 HG21 THR 53 -13.711 20.121 -2.928 363 HG22 THR 53 HG22 THR 53 -12.644 21.545 -2.902 364 HG23 THR 53 HG23 THR 53 -13.162 20.793 -1.374 365 H ALA 54 H ALA 54 -16.757 21.524 -4.870 366 HA ALA 54 HA ALA 54 -17.054 18.780 -5.533 367 HB1 ALA 54 HB1 ALA 54 -18.387 19.871 -6.986 368 HB2 ALA 54 HB2 ALA 54 -17.549 21.415 -6.702 369 HB3 ALA 54 HB3 ALA 54 -16.913 20.266 -7.903 370 H ALA 55 H ALA 55 -15.591 17.351 -6.369 371 HA ALA 55 HA ALA 55 -12.887 18.380 -6.762 372 HB1 ALA 55 HB1 ALA 55 -13.635 16.368 -5.231 373 HB2 ALA 55 HB2 ALA 55 -13.656 15.465 -6.764 374 HB3 ALA 55 HB3 ALA 55 -12.153 16.239 -6.207 375 H ILE 56 H ILE 56 -11.715 18.026 -8.700 376 HA ILE 56 HA ILE 56 -13.385 17.901 -11.020 377 HB ILE 56 HB ILE 56 -11.245 19.317 -10.500 378 HG12 ILE 56 HG12 ILE 56 -12.630 19.489 -12.516 379 HG13 ILE 56 HG13 ILE 56 -10.924 19.654 -12.882 380 HG21 ILE 56 HG21 ILE 56 -9.239 18.325 -11.631 381 HG22 ILE 56 HG22 ILE 56 -9.678 17.566 -10.082 382 HG23 ILE 56 HG23 ILE 56 -10.080 16.756 -11.615 383 HD11 ILE 56 HD11 ILE 56 -12.817 17.684 -13.872 384 HD12 ILE 56 HD12 ILE 56 -11.143 17.988 -14.397 385 HD13 ILE 56 HD13 ILE 56 -11.464 16.866 -13.053 386 H ALA 57 H ALA 57 -13.757 16.190 -12.365 387 HA ALA 57 HA ALA 57 -13.805 14.098 -13.083 388 HB1 ALA 57 HB1 ALA 57 -11.403 14.757 -13.637 389 HB2 ALA 57 HB2 ALA 57 -10.915 13.872 -12.172 390 HB3 ALA 57 HB3 ALA 57 -11.715 13.009 -13.508 391 H ASN 58 H ASN 58 -15.315 13.200 -11.670 392 HA ASN 58 HA ASN 58 -16.068 11.847 -10.153 393 HB2 ASN 58 HB2 ASN 58 -13.478 10.779 -10.741 394 HB3 ASN 58 HB3 ASN 58 -13.623 10.724 -8.995 395 HD21 ASN 58 HD21 ASN 58 -13.495 8.482 -10.664 396 HD22 ASN 58 HD22 ASN 58 -14.978 7.593 -10.561 397 H GLY 59 H GLY 59 -16.850 13.021 -8.385 398 HA2 GLY 59 HA2 GLY 59 -14.889 13.807 -6.319 399 HA3 GLY 59 HA3 GLY 59 -16.113 14.924 -6.889 400 H GLY 60 H GLY 60 -16.925 15.003 -4.651 401 HA2 GLY 60 HA2 GLY 60 -18.189 14.314 -2.909 402 HA3 GLY 60 HA3 GLY 60 -19.227 13.671 -4.166 403 H GLY 61 H GLY 61 -16.128 12.829 -2.453 404 HA2 GLY 61 HA2 GLY 61 -17.196 10.227 -1.767 405 HA3 GLY 61 HA3 GLY 61 -15.903 10.194 -2.949 406 H VAL 62 H VAL 62 -15.137 8.896 -0.817 407 HA VAL 62 HA VAL 62 -14.125 10.609 1.247 408 HB VAL 62 HB VAL 62 -13.869 7.668 0.615 409 HG11 VAL 62 HG11 VAL 62 -12.006 7.692 1.873 410 HG12 VAL 62 HG12 VAL 62 -12.322 9.335 2.481 411 HG13 VAL 62 HG13 VAL 62 -13.110 7.935 3.248 412 HG21 VAL 62 HG21 VAL 62 -16.061 8.133 1.356 413 HG22 VAL 62 HG22 VAL 62 -15.205 7.541 2.799 414 HG23 VAL 62 HG23 VAL 62 -15.494 9.284 2.589 415 H ALA 63 H ALA 63 -12.584 8.384 -1.189 416 HA ALA 63 HA ALA 63 -10.181 10.047 -0.971 417 HB1 ALA 63 HB1 ALA 63 -10.664 7.209 -1.954 418 HB2 ALA 63 HB2 ALA 63 -9.101 8.051 -2.077 419 HB3 ALA 63 HB3 ALA 63 -9.805 7.710 -0.478 420 H ALA 64 H ALA 64 -9.776 11.492 -2.564 421 HA ALA 64 HA ALA 64 -10.091 10.873 -5.277 422 HB1 ALA 64 HB1 ALA 64 -11.941 13.044 -5.051 423 HB2 ALA 64 HB2 ALA 64 -12.231 11.408 -5.689 424 HB3 ALA 64 HB3 ALA 64 -12.489 11.748 -3.961 425 H GLY 65 H GLY 65 -8.946 12.373 -6.531 426 HA2 GLY 65 HA2 GLY 65 -8.289 14.730 -6.743 427 HA3 GLY 65 HA3 GLY 65 -7.892 14.701 -5.036 428 H SER 66 H SER 66 -5.750 15.486 -6.104 429 HA SER 66 HA SER 66 -4.175 14.011 -7.671 430 HB2 SER 66 HB2 SER 66 -3.853 16.226 -6.007 431 HB3 SER 66 HB3 SER 66 -2.696 15.087 -5.347 432 HG SER 66 HG SER 66 -1.916 14.803 -7.621 433 H LEU 67 H LEU 67 -5.105 13.350 -4.314 434 HA LEU 67 HA LEU 67 -3.096 11.662 -3.514 435 HB2 LEU 67 HB2 LEU 67 -5.838 12.260 -2.779 436 HB3 LEU 67 HB3 LEU 67 -5.467 10.566 -2.528 437 HG LEU 67 HG LEU 67 -3.259 11.858 -1.446 438 HD11 LEU 67 HD11 LEU 67 -3.755 13.859 -0.607 439 HD12 LEU 67 HD12 LEU 67 -5.177 13.849 -1.678 440 HD13 LEU 67 HD13 LEU 67 -5.330 13.301 0.009 441 HD21 LEU 67 HD21 LEU 67 -5.523 10.265 -0.550 442 HD22 LEU 67 HD22 LEU 67 -3.822 10.241 -0.025 443 HD23 LEU 67 HD23 LEU 67 -4.963 11.398 0.703 444 H VAL 68 H VAL 68 -6.147 10.804 -5.289 445 HA VAL 68 HA VAL 68 -5.820 8.145 -5.536 446 HB VAL 68 HB VAL 68 -6.768 10.166 -7.571 447 HG11 VAL 68 HG11 VAL 68 -7.217 7.161 -7.565 448 HG12 VAL 68 HG12 VAL 68 -7.922 8.333 -8.705 449 HG13 VAL 68 HG13 VAL 68 -6.164 8.052 -8.691 450 HG21 VAL 68 HG21 VAL 68 -9.018 9.075 -6.730 451 HG22 VAL 68 HG22 VAL 68 -8.039 8.671 -5.300 452 HG23 VAL 68 HG23 VAL 68 -8.229 10.370 -5.797 453 H ALA 69 H ALA 69 -3.908 10.712 -7.077 454 HA ALA 69 HA ALA 69 -2.744 9.231 -9.112 455 HB1 ALA 69 HB1 ALA 69 -2.668 11.765 -8.554 456 HB2 ALA 69 HB2 ALA 69 -1.293 11.347 -7.504 457 HB3 ALA 69 HB3 ALA 69 -1.211 11.019 -9.252 458 H ILE 70 H ILE 70 -1.517 9.874 -5.747 459 HA ILE 70 HA ILE 70 0.605 8.016 -6.058 460 HB ILE 70 HB ILE 70 1.223 8.606 -3.910 461 HG12 ILE 70 HG12 ILE 70 -0.629 9.916 -2.480 462 HG13 ILE 70 HG13 ILE 70 -1.703 8.895 -3.414 463 HG21 ILE 70 HG21 ILE 70 -0.287 11.119 -4.473 464 HG22 ILE 70 HG22 ILE 70 1.422 10.876 -4.040 465 HG23 ILE 70 HG23 ILE 70 0.866 10.530 -5.694 466 HD11 ILE 70 HD11 ILE 70 0.703 7.542 -2.252 467 HD12 ILE 70 HD12 ILE 70 -0.544 8.078 -1.101 468 HD13 ILE 70 HD13 ILE 70 -0.968 6.951 -2.411 469 H LEU 71 H LEU 71 -2.788 7.842 -5.119 470 HA LEU 71 HA LEU 71 -2.725 5.542 -3.575 471 HB2 LEU 71 HB2 LEU 71 -4.609 7.246 -4.156 472 HB3 LEU 71 HB3 LEU 71 -4.954 6.156 -5.484 473 HG LEU 71 HG LEU 71 -4.795 4.454 -3.291 474 HD11 LEU 71 HD11 LEU 71 -6.424 5.515 -1.678 475 HD12 LEU 71 HD12 LEU 71 -4.769 6.170 -1.656 476 HD13 LEU 71 HD13 LEU 71 -6.071 7.069 -2.471 477 HD21 LEU 71 HD21 LEU 71 -6.427 4.656 -5.300 478 HD22 LEU 71 HD22 LEU 71 -7.005 3.951 -3.772 479 HD23 LEU 71 HD23 LEU 71 -7.411 5.634 -4.185 480 H GLN 72 H GLN 72 -3.212 5.903 -7.157 481 HA GLN 72 HA GLN 72 -3.198 3.125 -7.545 482 HB2 GLN 72 HB2 GLN 72 -3.219 5.575 -9.255 483 HB3 GLN 72 HB3 GLN 72 -2.598 4.124 -10.018 484 HG2 GLN 72 HG2 GLN 72 -4.644 2.916 -9.648 485 HG3 GLN 72 HG3 GLN 72 -5.221 4.085 -8.477 486 HE21 GLN 72 HE21 GLN 72 -7.122 4.449 -9.560 487 HE22 GLN 72 HE22 GLN 72 -7.233 5.343 -11.039 488 H SER 73 H SER 73 -0.740 5.734 -8.125 489 HA SER 73 HA SER 73 1.221 4.213 -9.188 490 HB2 SER 73 HB2 SER 73 1.010 6.784 -7.823 491 HB3 SER 73 HB3 SER 73 2.530 6.011 -7.420 492 HG SER 73 HG SER 73 2.940 5.750 -9.724 493 H VAL 74 H VAL 74 1.195 5.206 -5.682 494 HA VAL 74 HA VAL 74 3.057 3.282 -4.912 495 HB VAL 74 HB VAL 74 2.651 4.009 -2.746 496 HG11 VAL 74 HG11 VAL 74 1.558 6.525 -3.746 497 HG12 VAL 74 HG12 VAL 74 3.164 6.165 -3.067 498 HG13 VAL 74 HG13 VAL 74 2.845 5.884 -4.795 499 HG21 VAL 74 HG21 VAL 74 -0.164 4.097 -3.613 500 HG22 VAL 74 HG22 VAL 74 0.538 3.732 -2.018 501 HG23 VAL 74 HG23 VAL 74 0.308 5.423 -2.523 502 H GLY 75 H GLY 75 -0.431 3.139 -5.482 503 HA2 GLY 75 HA2 GLY 75 -1.119 0.921 -3.952 504 HA3 GLY 75 HA3 GLY 75 -1.883 1.426 -5.446 505 H ALA 76 H ALA 76 -0.660 0.833 -7.550 506 HA ALA 76 HA ALA 76 -0.234 -1.950 -7.537 507 HB1 ALA 76 HB1 ALA 76 0.832 -0.759 -9.904 508 HB2 ALA 76 HB2 ALA 76 -0.745 -1.555 -9.686 509 HB3 ALA 76 HB3 ALA 76 -0.589 0.197 -9.419 510 H ALA 77 H ALA 77 2.032 0.818 -8.218 511 HA ALA 77 HA ALA 77 4.337 -0.567 -8.484 512 HB1 ALA 77 HB1 ALA 77 4.118 1.999 -6.875 513 HB2 ALA 77 HB2 ALA 77 5.443 1.476 -7.943 514 HB3 ALA 77 HB3 ALA 77 3.874 1.949 -8.638 515 H GLY 78 H GLY 78 3.087 0.767 -5.334 516 HA2 GLY 78 HA2 GLY 78 4.952 -0.273 -3.637 517 HA3 GLY 78 HA3 GLY 78 3.263 -0.036 -3.237 518 H LEU 79 H LEU 79 1.708 -1.836 -4.122 519 HA LEU 79 HA LEU 79 2.226 -4.182 -2.905 520 HB2 LEU 79 HB2 LEU 79 0.321 -3.152 -4.794 521 HB3 LEU 79 HB3 LEU 79 0.698 -4.815 -5.194 522 HG LEU 79 HG LEU 79 0.243 -5.330 -2.706 523 HD11 LEU 79 HD11 LEU 79 -0.399 -3.721 -1.320 524 HD12 LEU 79 HD12 LEU 79 -0.047 -2.538 -2.603 525 HD13 LEU 79 HD13 LEU 79 -1.689 -3.204 -2.433 526 HD21 LEU 79 HD21 LEU 79 -2.348 -4.534 -3.833 527 HD22 LEU 79 HD22 LEU 79 -1.312 -5.439 -4.963 528 HD23 LEU 79 HD23 LEU 79 -1.729 -6.141 -3.381 529 H SER 80 H SER 80 3.378 -3.092 -6.093 530 HA SER 80 HA SER 80 4.167 -5.582 -7.019 531 HB2 SER 80 HB2 SER 80 4.240 -2.914 -7.923 532 HB3 SER 80 HB3 SER 80 5.926 -3.390 -7.872 533 HG SER 80 HG SER 80 4.358 -3.898 -9.848 534 H VAL 81 H VAL 81 6.459 -2.932 -6.057 535 HA VAL 81 HA VAL 81 8.649 -4.480 -5.668 536 HB VAL 81 HB VAL 81 8.632 -2.053 -5.690 537 HG11 VAL 81 HG11 VAL 81 7.196 -2.339 -3.040 538 HG12 VAL 81 HG12 VAL 81 8.031 -0.844 -3.527 539 HG13 VAL 81 HG13 VAL 81 6.671 -1.461 -4.496 540 HG21 VAL 81 HG21 VAL 81 9.780 -2.402 -3.006 541 HG22 VAL 81 HG22 VAL 81 10.268 -3.663 -4.164 542 HG23 VAL 81 HG23 VAL 81 10.561 -1.948 -4.540 543 H THR 82 H THR 82 5.758 -4.228 -3.656 544 HA THR 82 HA THR 82 6.886 -5.237 -1.273 545 HB THR 82 HB THR 82 4.086 -5.022 -2.463 546 HG1 THR 82 HG1 THR 82 5.694 -3.877 -0.291 547 HG21 THR 82 HG21 THR 82 5.021 -6.376 0.074 548 HG22 THR 82 HG22 THR 82 3.571 -5.347 0.157 549 HG23 THR 82 HG23 THR 82 3.607 -6.747 -0.941 550 H SER 83 H SER 83 4.414 -7.054 -3.148 551 HA SER 83 HA SER 83 5.120 -9.472 -2.211 552 HB2 SER 83 HB2 SER 83 3.402 -8.449 -4.216 553 HB3 SER 83 HB3 SER 83 4.361 -9.669 -5.030 554 HG SER 83 HG SER 83 2.502 -10.651 -4.107 555 H LYS 84 H LYS 84 6.406 -7.774 -5.139 556 HA LYS 84 HA LYS 84 7.964 -9.778 -6.161 557 HB2 LYS 84 HB2 LYS 84 7.445 -7.339 -6.965 558 HB3 LYS 84 HB3 LYS 84 8.923 -6.927 -6.120 559 HG2 LYS 84 HG2 LYS 84 10.229 -7.876 -7.727 560 HG3 LYS 84 HG3 LYS 84 9.280 -9.349 -7.742 561 HD2 LYS 84 HD2 LYS 84 7.835 -7.069 -8.944 562 HD3 LYS 84 HD3 LYS 84 9.344 -7.409 -9.766 563 HE2 LYS 84 HE2 LYS 84 7.505 -9.714 -9.076 564 HE3 LYS 84 HE3 LYS 84 7.109 -8.696 -10.447 565 HZ1 LYS 84 HZ1 LYS 84 9.548 -10.326 -10.078 566 HZ2 LYS 84 HZ2 LYS 84 8.484 -10.385 -11.309 567 HZ3 LYS 84 HZ3 LYS 84 9.470 -9.089 -11.146 568 H VAL 85 H VAL 85 8.846 -7.333 -3.629 569 HA VAL 85 HA VAL 85 11.428 -8.325 -3.230 570 HB VAL 85 HB VAL 85 9.498 -6.658 -1.645 571 HG11 VAL 85 HG11 VAL 85 11.975 -7.981 -0.663 572 HG12 VAL 85 HG12 VAL 85 11.777 -6.259 -0.260 573 HG13 VAL 85 HG13 VAL 85 10.533 -7.435 0.225 574 HG21 VAL 85 HG21 VAL 85 10.891 -5.894 -3.716 575 HG22 VAL 85 HG22 VAL 85 10.815 -4.850 -2.277 576 HG23 VAL 85 HG23 VAL 85 12.251 -5.861 -2.568 577 H ILE 86 H ILE 86 8.231 -9.383 -2.126 578 HA ILE 86 HA ILE 86 9.263 -11.018 -0.026 579 HB ILE 86 HB ILE 86 6.573 -10.840 -1.379 580 HG12 ILE 86 HG12 ILE 86 7.195 -10.007 1.441 581 HG13 ILE 86 HG13 ILE 86 7.599 -8.938 0.113 582 HG21 ILE 86 HG21 ILE 86 5.917 -12.701 -0.372 583 HG22 ILE 86 HG22 ILE 86 7.590 -12.980 0.169 584 HG23 ILE 86 HG23 ILE 86 6.458 -12.077 1.205 585 HD11 ILE 86 HD11 ILE 86 4.878 -10.103 -0.093 586 HD12 ILE 86 HD12 ILE 86 5.123 -9.066 1.333 587 HD13 ILE 86 HD13 ILE 86 5.412 -8.418 -0.300 588 H GLY 87 H GLY 87 7.305 -12.092 -2.874 589 HA2 GLY 87 HA2 GLY 87 9.395 -13.909 -3.721 590 HA3 GLY 87 HA3 GLY 87 8.015 -14.682 -2.967 591 H GLY 88 H GLY 88 8.797 -12.171 -5.476 592 HA2 GLY 88 HA2 GLY 88 7.896 -11.758 -7.491 593 HA3 GLY 88 HA3 GLY 88 7.414 -13.442 -7.541 594 H PHE 89 H PHE 89 5.324 -14.085 -6.552 595 HA PHE 89 HA PHE 89 3.528 -11.859 -6.013 596 HB2 PHE 89 HB2 PHE 89 3.316 -12.347 -8.440 597 HB3 PHE 89 HB3 PHE 89 3.263 -14.071 -8.130 598 HD1 PHE 89 HD1 PHE 89 1.393 -11.052 -6.945 599 HD2 PHE 89 HD2 PHE 89 1.197 -15.026 -8.421 600 HE1 PHE 89 HE1 PHE 89 -1.114 -10.960 -6.862 601 HE2 PHE 89 HE2 PHE 89 -1.310 -14.933 -8.338 602 HZ PHE 89 HZ PHE 89 -2.435 -12.901 -7.559 603 H ALA 90 H ALA 90 3.919 -15.453 -6.318 604 HA ALA 90 HA ALA 90 2.814 -15.748 -3.670 605 HB1 ALA 90 HB1 ALA 90 1.161 -17.497 -4.600 606 HB2 ALA 90 HB2 ALA 90 0.737 -15.781 -4.814 607 HB3 ALA 90 HB3 ALA 90 1.406 -16.709 -6.177 608 H GLY 91 H GLY 91 5.209 -16.279 -3.605 609 HA2 GLY 91 HA2 GLY 91 5.528 -19.148 -4.151 610 HA3 GLY 91 HA3 GLY 91 6.712 -18.028 -4.795 611 H THR 92 H THR 92 8.477 -18.712 -3.520 612 HA THR 92 HA THR 92 8.452 -19.318 -0.848 613 HB THR 92 HB THR 92 10.413 -19.766 -2.158 614 HG1 THR 92 HG1 THR 92 11.921 -18.687 -0.780 615 HG21 THR 92 HG21 THR 92 10.788 -18.336 -3.928 616 HG22 THR 92 HG22 THR 92 9.977 -16.979 -3.110 617 HG23 THR 92 HG23 THR 92 11.675 -17.357 -2.735 618 H ALA 93 H ALA 93 7.899 -18.275 0.950 619 HA ALA 93 HA ALA 93 8.786 -15.670 1.493 620 HB1 ALA 93 HB1 ALA 93 6.771 -14.396 1.323 621 HB2 ALA 93 HB2 ALA 93 6.956 -15.232 -0.237 622 HB3 ALA 93 HB3 ALA 93 5.799 -15.845 0.969 623 H LEU 94 H LEU 94 7.363 -14.834 3.543 624 HA LEU 94 HA LEU 94 6.892 -15.221 5.665 625 HB2 LEU 94 HB2 LEU 94 5.246 -17.036 4.136 626 HB3 LEU 94 HB3 LEU 94 5.618 -17.723 5.704 627 HG LEU 94 HG LEU 94 3.528 -16.518 5.801 628 HD11 LEU 94 HD11 LEU 94 3.868 -15.379 7.787 629 HD12 LEU 94 HD12 LEU 94 5.297 -16.437 7.702 630 HD13 LEU 94 HD13 LEU 94 5.436 -14.717 7.266 631 HD21 LEU 94 HD21 LEU 94 4.033 -13.826 5.616 632 HD22 LEU 94 HD22 LEU 94 5.021 -14.492 4.293 633 HD23 LEU 94 HD23 LEU 94 3.274 -14.829 4.357 634 H GLY 95 H GLY 95 9.466 -15.605 5.291 635 HA2 GLY 95 HA2 GLY 95 10.836 -16.658 7.030 636 HA3 GLY 95 HA3 GLY 95 10.064 -18.179 6.626 637 H ALA 96 H ALA 96 12.951 -16.835 6.383 638 HA ALA 96 HA ALA 96 14.714 -17.096 5.074 639 HB1 ALA 96 HB1 ALA 96 13.455 -18.975 3.158 640 HB2 ALA 96 HB2 ALA 96 14.925 -19.160 4.145 641 HB3 ALA 96 HB3 ALA 96 13.325 -19.451 4.868 642 H TRP 97 H TRP 97 15.186 -15.272 3.947 643 HA TRP 97 HA TRP 97 13.380 -14.486 1.800 644 HB2 TRP 97 HB2 TRP 97 15.306 -13.119 3.577 645 HB3 TRP 97 HB3 TRP 97 15.248 -12.527 1.928 646 HD1 TRP 97 HD1 TRP 97 12.557 -11.873 1.088 647 HE1 TRP 97 HE1 TRP 97 10.647 -10.596 2.387 648 HE3 TRP 97 HE3 TRP 97 14.450 -12.691 5.735 649 HZ2 TRP 97 HZ2 TRP 97 10.155 -10.083 5.151 650 HZ3 TRP 97 HZ3 TRP 97 13.193 -11.768 7.680 651 HH2 TRP 97 HH2 TRP 97 11.115 -10.503 7.444 652 H LEU 98 H LEU 98 13.845 -15.790 0.021 653 HA LEU 98 HA LEU 98 16.518 -16.553 -0.583 654 HB2 LEU 98 HB2 LEU 98 14.573 -17.945 -1.081 655 HB3 LEU 98 HB3 LEU 98 13.966 -16.731 -2.190 656 HG LEU 98 HG LEU 98 16.325 -17.095 -3.356 657 HD11 LEU 98 HD11 LEU 98 15.868 -19.699 -1.879 658 HD12 LEU 98 HD12 LEU 98 16.970 -19.497 -3.263 659 HD13 LEU 98 HD13 LEU 98 17.270 -18.610 -1.749 660 HD21 LEU 98 HD21 LEU 98 13.664 -18.101 -3.733 661 HD22 LEU 98 HD22 LEU 98 14.899 -17.687 -4.946 662 HD23 LEU 98 HD23 LEU 98 14.843 -19.327 -4.257 663 H GLY 99 H GLY 99 14.132 -14.542 -2.455 664 HA2 GLY 99 HA2 GLY 99 14.447 -12.810 -3.851 665 HA3 GLY 99 HA3 GLY 99 15.739 -12.311 -2.778 666 H SER 100 H SER 100 15.106 -14.858 -5.303 667 HA SER 100 HA SER 100 17.778 -14.247 -6.304 668 HB2 SER 100 HB2 SER 100 16.647 -16.775 -5.443 669 HB3 SER 100 HB3 SER 100 17.006 -16.869 -7.155 670 HG SER 100 HG SER 100 19.191 -16.113 -6.665 671 HA PRO 101 HA PRO 101 14.767 -13.418 -9.579 672 HB2 PRO 101 HB2 PRO 101 15.774 -11.004 -10.370 673 HB3 PRO 101 HB3 PRO 101 14.487 -11.166 -9.191 674 HG2 PRO 101 HG2 PRO 101 17.334 -10.503 -8.749 675 HG3 PRO 101 HG3 PRO 101 15.970 -10.258 -7.676 676 HD2 PRO 101 HD2 PRO 101 17.959 -12.315 -7.481 677 HD3 PRO 101 HD3 PRO 101 16.532 -12.138 -6.479 678 HA PRO 102 HA PRO 102 17.151 -14.745 -12.826 679 HB2 PRO 102 HB2 PRO 102 15.693 -14.011 -15.017 680 HB3 PRO 102 HB3 PRO 102 15.327 -15.428 -14.053 681 HG2 PRO 102 HG2 PRO 102 13.927 -12.825 -14.128 682 HG3 PRO 102 HG3 PRO 102 13.352 -14.363 -13.516 683 HD2 PRO 102 HD2 PRO 102 14.277 -12.136 -11.963 684 HD3 PRO 102 HD3 PRO 102 13.812 -13.714 -11.359 685 H SER 103 H SER 103 18.990 -14.228 -13.887 686 HA SER 103 HA SER 103 20.568 -12.928 -14.614 687 HB2 SER 103 HB2 SER 103 20.045 -11.275 -16.300 688 HB3 SER 103 HB3 SER 103 18.893 -12.585 -16.468 689 HG SER 103 HG SER 103 18.490 -9.933 -15.472 690 H SER 104 H SER 104 21.469 -10.492 -14.586 691 HA SER 104 HA SER 104 20.838 -9.540 -11.926 692 HB2 SER 104 HB2 SER 104 23.176 -8.971 -13.800 693 HB3 SER 104 HB3 SER 104 22.983 -8.208 -12.234 694 HG SER 104 HG SER 104 24.119 -9.921 -11.579 Start of MODEL 17 1 H MET 1 H1 MET 1 -6.857 -11.650 -5.624 2 HA MET 1 HA MET 1 -5.560 -12.625 -8.008 3 HB2 MET 1 HB2 MET 1 -4.430 -13.154 -5.518 4 HB3 MET 1 HB3 MET 1 -5.494 -14.534 -5.700 5 HG2 MET 1 HG2 MET 1 -3.826 -15.470 -6.943 6 HG3 MET 1 HG3 MET 1 -4.317 -14.378 -8.222 7 HE1 MET 1 HE1 MET 1 -1.308 -15.706 -6.977 8 HE2 MET 1 HE2 MET 1 -0.407 -14.463 -6.077 9 HE3 MET 1 HE3 MET 1 -1.886 -15.168 -5.381 10 H GLY 2 H GLY 2 -7.398 -13.112 -9.164 11 HA2 GLY 2 HA2 GLY 2 -8.885 -15.329 -8.845 12 HA3 GLY 2 HA3 GLY 2 -9.732 -14.182 -7.827 13 H LYS 3 H LYS 3 -10.796 -12.340 -8.755 14 HA LYS 3 HA LYS 3 -11.449 -12.746 -11.542 15 HB2 LYS 3 HB2 LYS 3 -12.656 -11.359 -9.210 16 HB3 LYS 3 HB3 LYS 3 -12.940 -10.618 -10.772 17 HG2 LYS 3 HG2 LYS 3 -13.289 -13.432 -11.152 18 HG3 LYS 3 HG3 LYS 3 -14.117 -13.036 -9.660 19 HD2 LYS 3 HD2 LYS 3 -14.859 -10.924 -11.330 20 HD3 LYS 3 HD3 LYS 3 -14.789 -12.275 -12.444 21 HE2 LYS 3 HE2 LYS 3 -16.100 -13.048 -9.930 22 HE3 LYS 3 HE3 LYS 3 -16.895 -11.666 -10.657 23 HZ1 LYS 3 HZ1 LYS 3 -17.537 -12.904 -12.455 24 HZ2 LYS 3 HZ2 LYS 3 -16.206 -13.841 -12.475 25 HZ3 LYS 3 HZ3 LYS 3 -17.382 -14.120 -11.372 26 H GLU 4 H GLU 4 -10.544 -9.861 -9.517 27 HA GLU 4 HA GLU 4 -8.717 -9.115 -11.622 28 HB2 GLU 4 HB2 GLU 4 -11.137 -7.493 -10.785 29 HB3 GLU 4 HB3 GLU 4 -9.703 -6.686 -11.388 30 HG2 GLU 4 HG2 GLU 4 -9.963 -8.622 -13.302 31 HG3 GLU 4 HG3 GLU 4 -11.644 -8.449 -12.839 32 H SER 5 H SER 5 -10.268 -7.931 -8.546 33 HA SER 5 HA SER 5 -7.562 -7.332 -7.636 34 HB2 SER 5 HB2 SER 5 -10.221 -6.063 -6.845 35 HB3 SER 5 HB3 SER 5 -8.695 -5.703 -6.062 36 HG SER 5 HG SER 5 -8.127 -5.370 -8.604 37 H GLY 6 H GLY 6 -10.883 -8.224 -6.427 38 HA2 GLY 6 HA2 GLY 6 -10.791 -10.499 -5.298 39 HA3 GLY 6 HA3 GLY 6 -9.588 -9.757 -4.262 40 H TRP 7 H TRP 7 -13.008 -10.014 -5.044 41 HA TRP 7 HA TRP 7 -13.666 -7.982 -3.047 42 HB2 TRP 7 HB2 TRP 7 -14.790 -8.719 -5.529 43 HB3 TRP 7 HB3 TRP 7 -15.943 -9.211 -4.304 44 HD1 TRP 7 HD1 TRP 7 -13.804 -5.948 -4.737 45 HE1 TRP 7 HE1 TRP 7 -15.312 -3.813 -4.377 46 HE3 TRP 7 HE3 TRP 7 -18.115 -8.495 -3.852 47 HZ2 TRP 7 HZ2 TRP 7 -18.076 -3.437 -3.776 48 HZ3 TRP 7 HZ3 TRP 7 -20.173 -7.168 -3.387 49 HH2 TRP 7 HH2 TRP 7 -20.200 -4.725 -3.340 50 H ASP 8 H ASP 8 -12.627 -9.594 -1.445 51 HA ASP 8 HA ASP 8 -14.616 -10.800 -0.007 52 HB2 ASP 8 HB2 ASP 8 -13.558 -12.484 -2.140 53 HB3 ASP 8 HB3 ASP 8 -13.140 -13.180 -0.588 54 H SER 9 H SER 9 -13.731 -10.849 2.079 55 HA SER 9 HA SER 9 -11.036 -11.704 2.430 56 HB2 SER 9 HB2 SER 9 -11.840 -8.807 2.747 57 HB3 SER 9 HB3 SER 9 -10.624 -9.474 3.819 58 HG SER 9 HG SER 9 -10.424 -9.805 0.962 59 H GLY 10 H GLY 10 -11.445 -13.186 4.040 60 HA2 GLY 10 HA2 GLY 10 -13.617 -13.064 5.806 61 HA3 GLY 10 HA3 GLY 10 -12.196 -14.077 5.961 62 H ARG 11 H ARG 11 -12.498 -13.650 8.335 63 HA ARG 11 HA ARG 11 -12.155 -11.036 9.278 64 HB2 ARG 11 HB2 ARG 11 -12.510 -13.739 10.389 65 HB3 ARG 11 HB3 ARG 11 -11.367 -12.814 11.342 66 HG2 ARG 11 HG2 ARG 11 -12.959 -11.087 11.803 67 HG3 ARG 11 HG3 ARG 11 -14.015 -11.586 10.497 68 HD2 ARG 11 HD2 ARG 11 -14.577 -13.679 11.703 69 HD3 ARG 11 HD3 ARG 11 -13.445 -13.278 12.979 70 HE ARG 11 HE ARG 11 -15.048 -11.067 12.987 71 HH11 ARG 11 HH22 ARG 11 -15.844 -14.519 12.969 72 HH12 ARG 11 HH21 ARG 11 -17.338 -14.306 13.820 73 HH21 ARG 11 HH12 ARG 11 -16.990 -10.803 14.091 74 HH22 ARG 11 HH11 ARG 11 -17.989 -12.172 14.460 75 H ALA 12 H ALA 12 -9.996 -13.975 9.377 76 HA ALA 12 HA ALA 12 -7.767 -12.926 10.449 77 HB1 ALA 12 HB1 ALA 12 -8.381 -15.037 8.443 78 HB2 ALA 12 HB2 ALA 12 -6.686 -14.499 8.510 79 HB3 ALA 12 HB3 ALA 12 -7.474 -15.139 9.972 80 H ALA 13 H ALA 13 -8.966 -12.482 7.085 81 HA ALA 13 HA ALA 13 -6.849 -11.370 5.856 82 HB1 ALA 13 HB1 ALA 13 -8.401 -10.784 4.312 83 HB2 ALA 13 HB2 ALA 13 -9.561 -11.591 5.394 84 HB3 ALA 13 HB3 ALA 13 -9.339 -9.827 5.483 85 H VAL 14 H VAL 14 -9.232 -9.542 7.911 86 HA VAL 14 HA VAL 14 -8.093 -7.087 7.796 87 HB VAL 14 HB VAL 14 -9.422 -8.540 10.084 88 HG11 VAL 14 HG11 VAL 14 -9.796 -5.767 10.407 89 HG12 VAL 14 HG12 VAL 14 -8.851 -6.863 11.442 90 HG13 VAL 14 HG13 VAL 14 -8.054 -5.989 10.112 91 HG21 VAL 14 HG21 VAL 14 -10.866 -6.345 8.815 92 HG22 VAL 14 HG22 VAL 14 -10.420 -7.617 7.652 93 HG23 VAL 14 HG23 VAL 14 -11.367 -8.028 9.103 94 H ALA 15 H ALA 15 -7.175 -9.826 9.979 95 HA ALA 15 HA ALA 15 -5.246 -8.506 11.436 96 HB1 ALA 15 HB1 ALA 15 -6.298 -10.970 11.465 97 HB2 ALA 15 HB2 ALA 15 -4.784 -11.349 10.608 98 HB3 ALA 15 HB3 ALA 15 -4.731 -10.608 12.226 99 H ALA 16 H ALA 16 -5.009 -10.186 8.243 100 HA ALA 16 HA ALA 16 -2.247 -9.859 7.960 101 HB1 ALA 16 HB1 ALA 16 -3.173 -9.932 5.399 102 HB2 ALA 16 HB2 ALA 16 -3.014 -11.372 6.434 103 HB3 ALA 16 HB3 ALA 16 -4.591 -10.563 6.270 104 H VAL 17 H VAL 17 -5.013 -7.683 7.509 105 HA VAL 17 HA VAL 17 -3.472 -5.780 6.003 106 HB VAL 17 HB VAL 17 -6.198 -5.602 7.302 107 HG11 VAL 17 HG11 VAL 17 -6.266 -3.461 6.683 108 HG12 VAL 17 HG12 VAL 17 -4.565 -3.574 6.168 109 HG13 VAL 17 HG13 VAL 17 -5.872 -3.905 5.005 110 HG21 VAL 17 HG21 VAL 17 -5.734 -5.958 4.352 111 HG22 VAL 17 HG22 VAL 17 -5.699 -7.372 5.433 112 HG23 VAL 17 HG23 VAL 17 -7.162 -6.362 5.336 113 H VAL 18 H VAL 18 -3.982 -6.639 9.342 114 HA VAL 18 HA VAL 18 -3.421 -4.016 10.359 115 HB VAL 18 HB VAL 18 -3.662 -6.761 11.593 116 HG11 VAL 18 HG11 VAL 18 -3.404 -5.840 13.757 117 HG12 VAL 18 HG12 VAL 18 -2.046 -5.193 12.804 118 HG13 VAL 18 HG13 VAL 18 -3.462 -4.170 13.143 119 HG21 VAL 18 HG21 VAL 18 -5.681 -5.408 10.639 120 HG22 VAL 18 HG22 VAL 18 -5.807 -6.154 12.251 121 HG23 VAL 18 HG23 VAL 18 -5.476 -4.412 12.100 122 H GLY 19 H GLY 19 -1.677 -7.209 10.352 123 HA2 GLY 19 HA2 GLY 19 0.681 -6.569 11.458 124 HA3 GLY 19 HA3 GLY 19 0.534 -7.624 10.066 125 H GLY 20 H GLY 20 2.321 -5.130 11.133 126 HA2 GLY 20 HA2 GLY 20 3.897 -4.082 9.746 127 HA3 GLY 20 HA3 GLY 20 2.759 -4.106 8.414 128 H VAL 21 H VAL 21 1.662 -3.208 11.671 129 HA VAL 21 HA VAL 21 0.412 -0.920 10.966 130 HB VAL 21 HB VAL 21 0.702 -0.261 13.362 131 HG11 VAL 21 HG11 VAL 21 -0.171 -2.754 14.091 132 HG12 VAL 21 HG12 VAL 21 -1.176 -1.507 13.313 133 HG13 VAL 21 HG13 VAL 21 -0.423 -2.786 12.329 134 HG21 VAL 21 HG21 VAL 21 1.743 -2.283 14.726 135 HG22 VAL 21 HG22 VAL 21 2.695 -2.495 13.237 136 HG23 VAL 21 HG23 VAL 21 2.759 -0.952 14.122 137 H VAL 22 H VAL 22 3.781 -1.123 12.322 138 HA VAL 22 HA VAL 22 4.413 1.524 12.162 139 HB VAL 22 HB VAL 22 6.784 0.537 11.681 140 HG11 VAL 22 HG11 VAL 22 7.099 0.390 13.951 141 HG12 VAL 22 HG12 VAL 22 5.525 1.220 13.916 142 HG13 VAL 22 HG13 VAL 22 5.600 -0.533 14.215 143 HG21 VAL 22 HG21 VAL 22 5.992 -2.025 12.790 144 HG22 VAL 22 HG22 VAL 22 5.232 -1.753 11.203 145 HG23 VAL 22 HG23 VAL 22 7.002 -1.664 11.369 146 H ALA 23 H ALA 23 4.586 -0.988 9.567 147 HA ALA 23 HA ALA 23 5.786 0.550 7.623 148 HB1 ALA 23 HB1 ALA 23 3.564 -1.446 7.098 149 HB2 ALA 23 HB2 ALA 23 5.007 -1.106 6.112 150 HB3 ALA 23 HB3 ALA 23 5.172 -1.953 7.669 151 H VAL 24 H VAL 24 2.331 0.340 8.634 152 HA VAL 24 HA VAL 24 1.394 2.014 6.563 153 HB VAL 24 HB VAL 24 0.227 1.333 9.269 154 HG11 VAL 24 HG11 VAL 24 -0.698 3.068 7.114 155 HG12 VAL 24 HG12 VAL 24 -1.850 1.756 7.458 156 HG13 VAL 24 HG13 VAL 24 -1.336 2.853 8.762 157 HG21 VAL 24 HG21 VAL 24 -0.757 -0.550 8.336 158 HG22 VAL 24 HG22 VAL 24 -0.600 0.061 6.671 159 HG23 VAL 24 HG23 VAL 24 0.835 -0.537 7.539 160 H GLY 25 H GLY 25 2.909 2.544 9.721 161 HA2 GLY 25 HA2 GLY 25 2.058 5.223 10.093 162 HA3 GLY 25 HA3 GLY 25 3.411 4.419 10.864 163 H THR 26 H THR 26 5.121 3.744 8.798 164 HA THR 26 HA THR 26 6.341 6.208 8.223 165 HB THR 26 HB THR 26 6.711 3.345 7.208 166 HG1 THR 26 HG1 THR 26 8.020 5.205 9.066 167 HG21 THR 26 HG21 THR 26 8.671 5.687 7.008 168 HG22 THR 26 HG22 THR 26 8.906 4.032 6.395 169 HG23 THR 26 HG23 THR 26 7.713 5.105 5.625 170 H VAL 27 H VAL 27 4.239 4.039 6.266 171 HA VAL 27 HA VAL 27 4.568 5.417 3.864 172 HB VAL 27 HB VAL 27 2.468 3.617 5.032 173 HG11 VAL 27 HG11 VAL 27 0.968 4.653 3.677 174 HG12 VAL 27 HG12 VAL 27 2.227 5.349 2.629 175 HG13 VAL 27 HG13 VAL 27 1.744 3.648 2.430 176 HG21 VAL 27 HG21 VAL 27 3.270 2.255 2.970 177 HG22 VAL 27 HG22 VAL 27 4.643 3.389 2.956 178 HG23 VAL 27 HG23 VAL 27 4.338 2.378 4.389 179 H LEU 28 H LEU 28 2.230 5.824 6.589 180 HA LEU 28 HA LEU 28 0.788 7.886 5.316 181 HB2 LEU 28 HB2 LEU 28 0.340 6.293 7.416 182 HB3 LEU 28 HB3 LEU 28 0.913 7.706 8.280 183 HG LEU 28 HG LEU 28 -0.953 8.701 6.429 184 HD11 LEU 28 HD11 LEU 28 -2.621 7.259 6.123 185 HD12 LEU 28 HD12 LEU 28 -1.509 5.994 6.698 186 HD13 LEU 28 HD13 LEU 28 -2.628 6.779 7.838 187 HD21 LEU 28 HD21 LEU 28 -2.342 9.019 8.543 188 HD22 LEU 28 HD22 LEU 28 -1.021 8.194 9.404 189 HD23 LEU 28 HD23 LEU 28 -0.704 9.715 8.536 190 H VAL 29 H VAL 29 2.943 8.134 8.233 191 HA VAL 29 HA VAL 29 3.231 10.802 8.301 192 HB VAL 29 HB VAL 29 4.180 8.965 9.793 193 HG11 VAL 29 HG11 VAL 29 6.736 9.304 8.244 194 HG12 VAL 29 HG12 VAL 29 6.262 8.027 9.390 195 HG13 VAL 29 HG13 VAL 29 5.559 8.062 7.755 196 HG21 VAL 29 HG21 VAL 29 4.682 11.637 9.642 197 HG22 VAL 29 HG22 VAL 29 5.311 10.567 10.918 198 HG23 VAL 29 HG23 VAL 29 6.332 10.979 9.519 199 H ALA 30 H ALA 30 4.533 8.569 5.883 200 HA ALA 30 HA ALA 30 6.467 10.357 4.841 201 HB1 ALA 30 HB1 ALA 30 5.146 7.787 3.985 202 HB2 ALA 30 HB2 ALA 30 6.120 8.707 2.812 203 HB3 ALA 30 HB3 ALA 30 6.862 8.121 4.321 204 H LEU 31 H LEU 31 3.130 9.381 3.780 205 HA LEU 31 HA LEU 31 2.996 11.099 1.616 206 HB2 LEU 31 HB2 LEU 31 1.457 9.159 2.541 207 HB3 LEU 31 HB3 LEU 31 0.568 10.496 3.243 208 HG LEU 31 HG LEU 31 0.933 11.304 0.612 209 HD11 LEU 31 HD11 LEU 31 1.404 8.529 0.632 210 HD12 LEU 31 HD12 LEU 31 -0.239 8.748 -0.016 211 HD13 LEU 31 HD13 LEU 31 1.135 9.586 -0.775 212 HD21 LEU 31 HD21 LEU 31 -1.548 10.423 0.459 213 HD22 LEU 31 HD22 LEU 31 -1.324 10.160 2.206 214 HD23 LEU 31 HD23 LEU 31 -1.113 11.788 1.517 215 H SER 32 H SER 32 2.471 11.653 5.111 216 HA SER 32 HA SER 32 1.373 14.223 4.698 217 HB2 SER 32 HB2 SER 32 1.496 14.435 7.125 218 HB3 SER 32 HB3 SER 32 0.928 12.827 6.723 219 HG SER 32 HG SER 32 3.704 13.436 7.275 220 H ALA 33 H ALA 33 4.620 12.827 5.158 221 HA ALA 33 HA ALA 33 5.958 15.178 5.872 222 HB1 ALA 33 HB1 ALA 33 7.464 13.532 6.171 223 HB2 ALA 33 HB2 ALA 33 6.563 12.429 5.103 224 HB3 ALA 33 HB3 ALA 33 7.741 13.571 4.413 225 H MET 34 H MET 34 7.961 15.716 4.102 226 HA MET 34 HA MET 34 8.479 16.809 2.296 227 HB2 MET 34 HB2 MET 34 6.391 14.898 1.340 228 HB3 MET 34 HB3 MET 34 6.587 16.294 0.298 229 HG2 MET 34 HG2 MET 34 9.211 15.293 1.090 230 HG3 MET 34 HG3 MET 34 8.256 13.979 0.431 231 HE1 MET 34 HE1 MET 34 9.327 13.888 -2.576 232 HE2 MET 34 HE2 MET 34 10.667 14.997 -2.199 233 HE3 MET 34 HE3 MET 34 10.100 13.837 -0.973 234 H GLY 35 H GLY 35 6.914 18.148 4.247 235 HA2 GLY 35 HA2 GLY 35 6.064 20.416 2.807 236 HA3 GLY 35 HA3 GLY 35 4.659 19.481 3.278 237 H PHE 36 H PHE 36 5.647 18.367 5.758 238 HA PHE 36 HA PHE 36 5.922 18.839 7.898 239 HB2 PHE 36 HB2 PHE 36 7.649 20.585 6.551 240 HB3 PHE 36 HB3 PHE 36 6.666 21.717 7.458 241 HD1 PHE 36 HD1 PHE 36 6.354 21.064 10.023 242 HD2 PHE 36 HD2 PHE 36 9.553 19.761 7.557 243 HE1 PHE 36 HE1 PHE 36 7.758 20.649 12.062 244 HE2 PHE 36 HE2 PHE 36 10.956 19.347 9.596 245 HZ PHE 36 HZ PHE 36 10.042 19.795 11.824 246 H THR 37 H THR 37 3.385 19.278 6.561 247 HA THR 37 HA THR 37 2.219 21.093 8.516 248 HB THR 37 HB THR 37 2.664 22.539 6.554 249 HG1 THR 37 HG1 THR 37 0.564 22.587 7.746 250 HG21 THR 37 HG21 THR 37 0.734 21.335 4.733 251 HG22 THR 37 HG22 THR 37 2.421 21.799 4.407 252 HG23 THR 37 HG23 THR 37 2.052 20.180 5.049 253 H SER 38 H SER 38 0.957 19.713 9.612 254 HA SER 38 HA SER 38 -1.214 18.569 8.242 255 HB2 SER 38 HB2 SER 38 -0.663 16.167 8.992 256 HB3 SER 38 HB3 SER 38 0.194 16.773 7.589 257 HG SER 38 HG SER 38 1.163 16.396 10.270 258 H VAL 39 H VAL 39 0.923 18.605 11.146 259 HA VAL 39 HA VAL 39 -0.782 17.650 13.043 260 HB VAL 39 HB VAL 39 0.453 19.478 14.482 261 HG11 VAL 39 HG11 VAL 39 2.630 17.892 13.896 262 HG12 VAL 39 HG12 VAL 39 1.318 17.476 15.025 263 HG13 VAL 39 HG13 VAL 39 1.265 16.892 13.345 264 HG21 VAL 39 HG21 VAL 39 2.622 19.431 12.517 265 HG22 VAL 39 HG22 VAL 39 1.201 20.342 11.953 266 HG23 VAL 39 HG23 VAL 39 1.986 20.779 13.490 267 H GLY 40 H GLY 40 -0.240 21.213 12.882 268 HA2 GLY 40 HA2 GLY 40 -2.424 22.095 14.142 269 HA3 GLY 40 HA3 GLY 40 -1.735 22.919 12.757 270 H ILE 41 H ILE 41 -2.341 21.520 10.544 271 HA ILE 41 HA ILE 41 -4.897 22.116 9.943 272 HB ILE 41 HB ILE 41 -3.111 19.934 8.883 273 HG12 ILE 41 HG12 ILE 41 -2.483 22.416 8.726 274 HG13 ILE 41 HG13 ILE 41 -2.434 21.461 7.257 275 HG21 ILE 41 HG21 ILE 41 -4.867 20.508 6.852 276 HG22 ILE 41 HG22 ILE 41 -4.923 19.071 7.901 277 HG23 ILE 41 HG23 ILE 41 -5.927 20.490 8.282 278 HD11 ILE 41 HD11 ILE 41 -3.899 23.849 7.699 279 HD12 ILE 41 HD12 ILE 41 -3.982 22.788 6.272 280 HD13 ILE 41 HD13 ILE 41 -5.112 22.548 7.627 281 H ALA 42 H ALA 42 -3.701 18.922 11.176 282 HA ALA 42 HA ALA 42 -6.142 17.633 11.176 283 HB1 ALA 42 HB1 ALA 42 -3.661 16.864 11.673 284 HB2 ALA 42 HB2 ALA 42 -4.123 17.176 13.364 285 HB3 ALA 42 HB3 ALA 42 -5.034 15.992 12.396 286 H ALA 43 H ALA 43 -4.594 19.725 13.686 287 HA ALA 43 HA ALA 43 -6.571 19.370 15.624 288 HB1 ALA 43 HB1 ALA 43 -4.495 21.486 15.020 289 HB2 ALA 43 HB2 ALA 43 -5.634 21.683 16.374 290 HB3 ALA 43 HB3 ALA 43 -4.527 20.289 16.337 291 H SER 44 H SER 44 -6.424 21.296 12.655 292 HA SER 44 HA SER 44 -8.535 23.014 13.426 293 HB2 SER 44 HB2 SER 44 -6.608 22.982 11.409 294 HB3 SER 44 HB3 SER 44 -8.087 22.662 10.524 295 HG SER 44 HG SER 44 -7.769 24.927 10.654 296 H SER 45 H SER 45 -8.177 19.972 11.537 297 HA SER 45 HA SER 45 -10.781 19.952 10.554 298 HB2 SER 45 HB2 SER 45 -8.472 18.131 10.670 299 HB3 SER 45 HB3 SER 45 -9.991 17.265 10.788 300 HG SER 45 HG SER 45 -10.043 19.252 8.825 301 H ILE 46 H ILE 46 -9.225 18.343 13.415 302 HA ILE 46 HA ILE 46 -11.604 17.129 14.304 303 HB ILE 46 HB ILE 46 -10.352 16.711 16.351 304 HG12 ILE 46 HG12 ILE 46 -7.789 17.567 15.994 305 HG13 ILE 46 HG13 ILE 46 -8.674 18.927 15.331 306 HG21 ILE 46 HG21 ILE 46 -8.360 15.560 15.258 307 HG22 ILE 46 HG22 ILE 46 -9.976 15.135 14.643 308 HG23 ILE 46 HG23 ILE 46 -8.938 16.251 13.723 309 HD11 ILE 46 HD11 ILE 46 -10.142 18.389 17.617 310 HD12 ILE 46 HD12 ILE 46 -8.487 17.986 18.134 311 HD13 ILE 46 HD13 ILE 46 -8.852 19.610 17.502 312 H ALA 47 H ALA 47 -10.061 20.312 14.860 313 HA ALA 47 HA ALA 47 -11.588 21.107 17.036 314 HB1 ALA 47 HB1 ALA 47 -9.758 22.465 16.561 315 HB2 ALA 47 HB2 ALA 47 -10.089 22.480 14.812 316 HB3 ALA 47 HB3 ALA 47 -11.094 23.449 15.916 317 H ALA 48 H ALA 48 -12.190 21.380 13.477 318 HA ALA 48 HA ALA 48 -14.678 22.707 13.854 319 HB1 ALA 48 HB1 ALA 48 -14.685 21.604 11.305 320 HB2 ALA 48 HB2 ALA 48 -14.030 23.199 11.745 321 HB3 ALA 48 HB3 ALA 48 -12.950 21.786 11.658 322 H LYS 49 H LYS 49 -13.881 19.417 12.512 323 HA LYS 49 HA LYS 49 -14.888 17.463 12.775 324 HB2 LYS 49 HB2 LYS 49 -15.192 18.548 15.247 325 HB3 LYS 49 HB3 LYS 49 -16.873 18.321 14.805 326 HG2 LYS 49 HG2 LYS 49 -15.397 15.963 14.001 327 HG3 LYS 49 HG3 LYS 49 -14.980 16.332 15.662 328 HD2 LYS 49 HD2 LYS 49 -17.068 15.799 16.441 329 HD3 LYS 49 HD3 LYS 49 -17.877 16.608 15.114 330 HE2 LYS 49 HE2 LYS 49 -16.797 14.490 13.758 331 HE3 LYS 49 HE3 LYS 49 -16.980 13.757 15.339 332 HZ1 LYS 49 HZ1 LYS 49 -19.061 13.407 14.436 333 HZ2 LYS 49 HZ2 LYS 49 -19.358 14.834 15.162 334 HZ3 LYS 49 HZ3 LYS 49 -19.016 14.790 13.563 335 H MET 50 H MET 50 -15.564 18.189 10.541 336 HA MET 50 HA MET 50 -18.312 19.024 10.393 337 HB2 MET 50 HB2 MET 50 -15.984 18.673 8.482 338 HB3 MET 50 HB3 MET 50 -17.598 18.665 7.801 339 HG2 MET 50 HG2 MET 50 -17.784 20.924 8.018 340 HG3 MET 50 HG3 MET 50 -17.344 20.860 9.713 341 HE1 MET 50 HE1 MET 50 -16.169 20.879 6.082 342 HE2 MET 50 HE2 MET 50 -14.408 21.123 6.175 343 HE3 MET 50 HE3 MET 50 -15.115 19.555 6.634 344 H MET 51 H MET 51 -19.879 17.842 8.951 345 HA MET 51 HA MET 51 -19.509 14.994 9.364 346 HB2 MET 51 HB2 MET 51 -21.582 16.355 10.176 347 HB3 MET 51 HB3 MET 51 -22.040 16.481 8.489 348 HG2 MET 51 HG2 MET 51 -22.079 13.989 8.301 349 HG3 MET 51 HG3 MET 51 -21.591 13.848 9.979 350 HE1 MET 51 HE1 MET 51 -23.750 12.265 10.165 351 HE2 MET 51 HE2 MET 51 -25.413 12.824 9.867 352 HE3 MET 51 HE3 MET 51 -24.277 12.649 8.509 353 H SER 52 H SER 52 -20.771 17.299 6.844 354 HA SER 52 HA SER 52 -19.577 15.560 4.865 355 HB2 SER 52 HB2 SER 52 -22.189 15.193 5.308 356 HB3 SER 52 HB3 SER 52 -22.344 16.626 4.311 357 HG SER 52 HG SER 52 -21.741 15.525 2.550 358 H THR 53 H THR 53 -18.715 16.717 3.104 359 HA THR 53 HA THR 53 -19.575 19.411 2.585 360 HB THR 53 HB THR 53 -16.817 18.821 3.784 361 HG1 THR 53 HG1 THR 53 -19.107 20.523 4.482 362 HG21 THR 53 HG21 THR 53 -17.497 20.830 1.906 363 HG22 THR 53 HG22 THR 53 -17.637 21.630 3.489 364 HG23 THR 53 HG23 THR 53 -16.105 20.857 3.015 365 H ALA 54 H ALA 54 -16.737 17.195 2.109 366 HA ALA 54 HA ALA 54 -15.778 16.450 0.260 367 HB1 ALA 54 HB1 ALA 54 -17.477 15.338 -0.735 368 HB2 ALA 54 HB2 ALA 54 -18.636 16.651 -0.415 369 HB3 ALA 54 HB3 ALA 54 -17.572 16.731 -1.839 370 H ALA 55 H ALA 55 -14.087 17.722 -0.332 371 HA ALA 55 HA ALA 55 -14.500 20.434 -1.109 372 HB1 ALA 55 HB1 ALA 55 -12.488 20.143 -0.001 373 HB2 ALA 55 HB2 ALA 55 -12.188 18.551 -0.739 374 HB3 ALA 55 HB3 ALA 55 -11.932 20.034 -1.689 375 H ILE 56 H ILE 56 -13.201 21.155 -3.234 376 HA ILE 56 HA ILE 56 -13.485 21.326 -5.433 377 HB ILE 56 HB ILE 56 -11.655 19.562 -4.978 378 HG12 ILE 56 HG12 ILE 56 -12.386 19.158 -7.764 379 HG13 ILE 56 HG13 ILE 56 -12.633 20.825 -7.283 380 HG21 ILE 56 HG21 ILE 56 -13.884 17.832 -6.063 381 HG22 ILE 56 HG22 ILE 56 -12.164 17.389 -6.174 382 HG23 ILE 56 HG23 ILE 56 -12.926 17.606 -4.580 383 HD11 ILE 56 HD11 ILE 56 -10.225 20.428 -6.106 384 HD12 ILE 56 HD12 ILE 56 -10.093 19.240 -7.425 385 HD13 ILE 56 HD13 ILE 56 -10.385 20.956 -7.798 386 H ALA 57 H ALA 57 -14.386 19.658 -7.482 387 HA ALA 57 HA ALA 57 -17.030 18.776 -6.603 388 HB1 ALA 57 HB1 ALA 57 -17.453 21.033 -7.285 389 HB2 ALA 57 HB2 ALA 57 -16.413 20.867 -8.720 390 HB3 ALA 57 HB3 ALA 57 -17.964 19.997 -8.639 391 H ASN 58 H ASN 58 -14.941 19.245 -9.549 392 HA ASN 58 HA ASN 58 -15.871 17.346 -11.115 393 HB2 ASN 58 HB2 ASN 58 -13.729 18.854 -11.331 394 HB3 ASN 58 HB3 ASN 58 -12.867 17.511 -10.608 395 HD21 ASN 58 HD21 ASN 58 -11.654 17.158 -12.440 396 HD22 ASN 58 HD22 ASN 58 -12.283 16.427 -13.879 397 H GLY 59 H GLY 59 -15.404 15.016 -11.465 398 HA2 GLY 59 HA2 GLY 59 -14.714 12.922 -10.874 399 HA3 GLY 59 HA3 GLY 59 -13.937 13.563 -9.440 400 H GLY 60 H GLY 60 -15.458 14.378 -7.639 401 HA2 GLY 60 HA2 GLY 60 -17.663 14.293 -6.710 402 HA3 GLY 60 HA3 GLY 60 -17.967 12.820 -7.608 403 H GLY 61 H GLY 61 -18.148 13.313 -4.667 404 HA2 GLY 61 HA2 GLY 61 -16.155 12.498 -3.071 405 HA3 GLY 61 HA3 GLY 61 -17.816 11.979 -2.863 406 H VAL 62 H VAL 62 -14.769 10.792 -2.932 407 HA VAL 62 HA VAL 62 -15.597 8.143 -3.310 408 HB VAL 62 HB VAL 62 -15.660 8.800 -5.664 409 HG11 VAL 62 HG11 VAL 62 -12.676 9.187 -5.669 410 HG12 VAL 62 HG12 VAL 62 -13.894 9.727 -6.850 411 HG13 VAL 62 HG13 VAL 62 -13.752 10.550 -5.278 412 HG21 VAL 62 HG21 VAL 62 -14.704 6.519 -4.695 413 HG22 VAL 62 HG22 VAL 62 -14.705 6.864 -6.442 414 HG23 VAL 62 HG23 VAL 62 -13.215 7.082 -5.492 415 H ALA 63 H ALA 63 -14.518 9.040 -1.124 416 HA ALA 63 HA ALA 63 -12.869 8.532 0.290 417 HB1 ALA 63 HB1 ALA 63 -10.996 7.710 -1.924 418 HB2 ALA 63 HB2 ALA 63 -11.171 7.044 -0.283 419 HB3 ALA 63 HB3 ALA 63 -12.391 6.677 -1.526 420 H ALA 64 H ALA 64 -11.316 9.690 -2.794 421 HA ALA 64 HA ALA 64 -10.910 12.286 -1.787 422 HB1 ALA 64 HB1 ALA 64 -9.256 11.397 -0.323 423 HB2 ALA 64 HB2 ALA 64 -8.612 10.315 -1.581 424 HB3 ALA 64 HB3 ALA 64 -8.353 12.072 -1.701 425 H GLY 65 H GLY 65 -8.857 13.221 -3.303 426 HA2 GLY 65 HA2 GLY 65 -9.639 12.380 -6.026 427 HA3 GLY 65 HA3 GLY 65 -9.151 13.996 -5.555 428 H SER 66 H SER 66 -6.904 14.475 -5.133 429 HA SER 66 HA SER 66 -5.140 13.356 -6.814 430 HB2 SER 66 HB2 SER 66 -5.083 15.268 -4.703 431 HB3 SER 66 HB3 SER 66 -3.747 14.178 -4.392 432 HG SER 66 HG SER 66 -4.053 15.015 -7.083 433 H LEU 67 H LEU 67 -5.771 12.455 -3.368 434 HA LEU 67 HA LEU 67 -3.764 10.699 -2.912 435 HB2 LEU 67 HB2 LEU 67 -5.560 11.443 -1.352 436 HB3 LEU 67 HB3 LEU 67 -6.653 10.312 -2.123 437 HG LEU 67 HG LEU 67 -4.281 8.892 -1.355 438 HD11 LEU 67 HD11 LEU 67 -5.359 10.803 0.695 439 HD12 LEU 67 HD12 LEU 67 -4.738 9.211 1.192 440 HD13 LEU 67 HD13 LEU 67 -3.677 10.351 0.330 441 HD21 LEU 67 HD21 LEU 67 -6.899 8.339 -1.600 442 HD22 LEU 67 HD22 LEU 67 -5.771 7.344 -0.647 443 HD23 LEU 67 HD23 LEU 67 -6.806 8.542 0.166 444 H VAL 68 H VAL 68 -6.839 10.080 -4.710 445 HA VAL 68 HA VAL 68 -6.617 7.411 -5.127 446 HB VAL 68 HB VAL 68 -7.483 9.538 -7.096 447 HG11 VAL 68 HG11 VAL 68 -8.064 7.918 -8.515 448 HG12 VAL 68 HG12 VAL 68 -7.230 6.749 -7.462 449 HG13 VAL 68 HG13 VAL 68 -8.968 7.065 -7.240 450 HG21 VAL 68 HG21 VAL 68 -9.545 8.065 -5.606 451 HG22 VAL 68 HG22 VAL 68 -8.498 9.071 -4.576 452 HG23 VAL 68 HG23 VAL 68 -9.387 9.808 -5.931 453 H ALA 69 H ALA 69 -5.045 10.055 -7.047 454 HA ALA 69 HA ALA 69 -3.800 8.451 -8.908 455 HB1 ALA 69 HB1 ALA 69 -3.991 10.969 -8.870 456 HB2 ALA 69 HB2 ALA 69 -2.688 10.992 -7.658 457 HB3 ALA 69 HB3 ALA 69 -2.372 10.362 -9.292 458 H ILE 70 H ILE 70 -2.786 9.384 -5.573 459 HA ILE 70 HA ILE 70 -0.246 8.210 -5.729 460 HB ILE 70 HB ILE 70 -2.067 9.144 -3.558 461 HG12 ILE 70 HG12 ILE 70 0.812 9.899 -3.886 462 HG13 ILE 70 HG13 ILE 70 -0.344 10.492 -5.062 463 HG21 ILE 70 HG21 ILE 70 0.027 7.100 -3.242 464 HG22 ILE 70 HG22 ILE 70 0.187 8.503 -2.158 465 HG23 ILE 70 HG23 ILE 70 -1.318 7.552 -2.169 466 HD11 ILE 70 HD11 ILE 70 -1.759 11.080 -2.848 467 HD12 ILE 70 HD12 ILE 70 -0.132 11.100 -2.126 468 HD13 ILE 70 HD13 ILE 70 -0.516 12.184 -3.484 469 H LEU 71 H LEU 71 -3.473 6.968 -4.700 470 HA LEU 71 HA LEU 71 -2.571 4.499 -3.784 471 HB2 LEU 71 HB2 LEU 71 -4.917 5.813 -3.794 472 HB3 LEU 71 HB3 LEU 71 -5.226 4.677 -5.092 473 HG LEU 71 HG LEU 71 -4.064 3.400 -2.721 474 HD11 LEU 71 HD11 LEU 71 -6.894 4.199 -2.264 475 HD12 LEU 71 HD12 LEU 71 -5.589 3.852 -1.103 476 HD13 LEU 71 HD13 LEU 71 -5.636 5.418 -1.947 477 HD21 LEU 71 HD21 LEU 71 -5.064 1.679 -3.692 478 HD22 LEU 71 HD22 LEU 71 -6.655 2.424 -3.403 479 HD23 LEU 71 HD23 LEU 71 -5.771 2.768 -4.910 480 H GLN 72 H GLN 72 -3.458 5.680 -7.063 481 HA GLN 72 HA GLN 72 -3.445 3.225 -8.305 482 HB2 GLN 72 HB2 GLN 72 -3.425 6.042 -9.074 483 HB3 GLN 72 HB3 GLN 72 -2.440 5.102 -10.177 484 HG2 GLN 72 HG2 GLN 72 -4.380 3.458 -10.390 485 HG3 GLN 72 HG3 GLN 72 -5.352 4.561 -9.436 486 HE21 GLN 72 HE21 GLN 72 -6.179 3.892 -11.902 487 HE22 GLN 72 HE22 GLN 72 -6.038 5.213 -13.013 488 H SER 73 H SER 73 -0.778 5.708 -8.246 489 HA SER 73 HA SER 73 1.080 3.998 -9.387 490 HB2 SER 73 HB2 SER 73 1.144 6.614 -7.927 491 HB3 SER 73 HB3 SER 73 2.663 5.746 -8.028 492 HG SER 73 HG SER 73 1.115 6.943 -10.088 493 H VAL 74 H VAL 74 1.184 5.289 -5.984 494 HA VAL 74 HA VAL 74 2.973 3.578 -4.938 495 HB VAL 74 HB VAL 74 0.436 4.570 -3.624 496 HG11 VAL 74 HG11 VAL 74 1.137 3.525 -1.784 497 HG12 VAL 74 HG12 VAL 74 2.588 2.937 -2.631 498 HG13 VAL 74 HG13 VAL 74 2.615 4.517 -1.811 499 HG21 VAL 74 HG21 VAL 74 1.475 6.491 -4.478 500 HG22 VAL 74 HG22 VAL 74 2.074 6.391 -2.805 501 HG23 VAL 74 HG23 VAL 74 3.110 5.868 -4.154 502 H GLY 75 H GLY 75 -0.342 2.863 -5.951 503 HA2 GLY 75 HA2 GLY 75 -0.712 0.468 -4.512 504 HA3 GLY 75 HA3 GLY 75 -1.538 0.958 -5.978 505 H ALA 76 H ALA 76 -0.080 0.842 -8.074 506 HA ALA 76 HA ALA 76 0.667 -1.837 -8.385 507 HB1 ALA 76 HB1 ALA 76 1.849 -0.137 -10.392 508 HB2 ALA 76 HB2 ALA 76 0.430 -1.205 -10.526 509 HB3 ALA 76 HB3 ALA 76 0.229 0.479 -9.986 510 H ALA 77 H ALA 77 2.677 1.195 -8.307 511 HA ALA 77 HA ALA 77 5.135 0.001 -8.479 512 HB1 ALA 77 HB1 ALA 77 4.729 2.422 -8.610 513 HB2 ALA 77 HB2 ALA 77 4.288 2.456 -6.886 514 HB3 ALA 77 HB3 ALA 77 5.955 2.064 -7.371 515 H GLY 78 H GLY 78 3.101 0.619 -5.549 516 HA2 GLY 78 HA2 GLY 78 4.942 -0.333 -3.660 517 HA3 GLY 78 HA3 GLY 78 3.204 -0.219 -3.467 518 H LEU 79 H LEU 79 1.853 -2.004 -4.549 519 HA LEU 79 HA LEU 79 2.412 -4.428 -3.552 520 HB2 LEU 79 HB2 LEU 79 0.550 -3.300 -5.353 521 HB3 LEU 79 HB3 LEU 79 1.129 -4.776 -6.098 522 HG LEU 79 HG LEU 79 0.540 -5.258 -3.310 523 HD11 LEU 79 HD11 LEU 79 -1.998 -4.603 -4.705 524 HD12 LEU 79 HD12 LEU 79 -1.571 -4.513 -2.979 525 HD13 LEU 79 HD13 LEU 79 -1.039 -3.233 -4.096 526 HD21 LEU 79 HD21 LEU 79 -0.652 -6.312 -5.889 527 HD22 LEU 79 HD22 LEU 79 0.708 -7.009 -4.976 528 HD23 LEU 79 HD23 LEU 79 -0.926 -6.996 -4.269 529 H SER 80 H SER 80 3.751 -2.974 -6.515 530 HA SER 80 HA SER 80 4.765 -5.321 -7.589 531 HB2 SER 80 HB2 SER 80 5.376 -2.382 -7.885 532 HB3 SER 80 HB3 SER 80 6.490 -3.536 -8.591 533 HG SER 80 HG SER 80 4.548 -2.701 -9.911 534 H VAL 81 H VAL 81 6.879 -2.662 -6.331 535 HA VAL 81 HA VAL 81 9.092 -4.116 -5.857 536 HB VAL 81 HB VAL 81 8.711 -1.635 -5.653 537 HG11 VAL 81 HG11 VAL 81 8.395 -1.687 -2.755 538 HG12 VAL 81 HG12 VAL 81 7.531 -0.729 -3.982 539 HG13 VAL 81 HG13 VAL 81 6.983 -2.377 -3.591 540 HG21 VAL 81 HG21 VAL 81 10.281 -2.756 -3.319 541 HG22 VAL 81 HG22 VAL 81 10.823 -2.917 -5.007 542 HG23 VAL 81 HG23 VAL 81 10.618 -1.301 -4.289 543 H THR 82 H THR 82 6.062 -4.156 -4.032 544 HA THR 82 HA THR 82 7.070 -5.309 -1.668 545 HB THR 82 HB THR 82 4.308 -5.430 -2.991 546 HG1 THR 82 HG1 THR 82 5.536 -3.738 -0.931 547 HG21 THR 82 HG21 THR 82 5.378 -6.339 -0.359 548 HG22 THR 82 HG22 THR 82 3.973 -5.253 -0.246 549 HG23 THR 82 HG23 THR 82 3.852 -6.771 -1.167 550 H SER 83 H SER 83 4.832 -7.109 -3.823 551 HA SER 83 HA SER 83 5.503 -9.548 -3.061 552 HB2 SER 83 HB2 SER 83 4.914 -10.296 -5.433 553 HB3 SER 83 HB3 SER 83 3.734 -9.267 -4.645 554 HG SER 83 HG SER 83 5.773 -8.299 -6.462 555 H LYS 84 H LYS 84 7.282 -7.529 -5.466 556 HA LYS 84 HA LYS 84 9.047 -9.387 -6.422 557 HB2 LYS 84 HB2 LYS 84 8.646 -6.718 -6.757 558 HB3 LYS 84 HB3 LYS 84 10.152 -6.693 -5.862 559 HG2 LYS 84 HG2 LYS 84 11.339 -7.491 -7.636 560 HG3 LYS 84 HG3 LYS 84 10.188 -8.780 -7.929 561 HD2 LYS 84 HD2 LYS 84 8.662 -6.817 -8.881 562 HD3 LYS 84 HD3 LYS 84 10.181 -5.954 -9.016 563 HE2 LYS 84 HE2 LYS 84 11.055 -8.123 -10.224 564 HE3 LYS 84 HE3 LYS 84 9.360 -8.535 -10.394 565 HZ1 LYS 84 HZ1 LYS 84 9.944 -7.299 -12.316 566 HZ2 LYS 84 HZ2 LYS 84 9.097 -6.240 -11.414 567 HZ3 LYS 84 HZ3 LYS 84 10.732 -6.172 -11.430 568 H VAL 85 H VAL 85 9.591 -7.171 -3.587 569 HA VAL 85 HA VAL 85 11.976 -8.343 -2.803 570 HB VAL 85 HB VAL 85 11.648 -7.180 -0.735 571 HG11 VAL 85 HG11 VAL 85 12.190 -5.416 -2.007 572 HG12 VAL 85 HG12 VAL 85 11.104 -5.925 -3.323 573 HG13 VAL 85 HG13 VAL 85 10.463 -4.987 -1.953 574 HG21 VAL 85 HG21 VAL 85 9.668 -6.695 0.243 575 HG22 VAL 85 HG22 VAL 85 8.898 -6.239 -1.296 576 HG23 VAL 85 HG23 VAL 85 9.040 -7.955 -0.846 577 H ILE 86 H ILE 86 8.632 -9.410 -2.480 578 HA ILE 86 HA ILE 86 9.199 -11.244 -0.356 579 HB ILE 86 HB ILE 86 6.847 -10.627 -2.107 580 HG12 ILE 86 HG12 ILE 86 7.341 -10.549 0.883 581 HG13 ILE 86 HG13 ILE 86 7.245 -9.174 -0.199 582 HG21 ILE 86 HG21 ILE 86 5.589 -12.393 -0.837 583 HG22 ILE 86 HG22 ILE 86 6.756 -13.006 -2.032 584 HG23 ILE 86 HG23 ILE 86 7.161 -13.034 -0.299 585 HD11 ILE 86 HD11 ILE 86 4.865 -10.382 -0.792 586 HD12 ILE 86 HD12 ILE 86 5.058 -10.876 0.907 587 HD13 ILE 86 HD13 ILE 86 5.050 -9.149 0.478 588 H GLY 87 H GLY 87 7.859 -11.955 -3.646 589 HA2 GLY 87 HA2 GLY 87 9.973 -13.515 -4.568 590 HA3 GLY 87 HA3 GLY 87 8.910 -14.578 -3.667 591 H GLY 88 H GLY 88 9.212 -12.442 -6.500 592 HA2 GLY 88 HA2 GLY 88 7.819 -12.063 -8.255 593 HA3 GLY 88 HA3 GLY 88 7.788 -13.815 -8.288 594 H PHE 89 H PHE 89 5.740 -14.595 -8.489 595 HA PHE 89 HA PHE 89 3.707 -13.436 -6.744 596 HB2 PHE 89 HB2 PHE 89 3.955 -12.888 -9.489 597 HB3 PHE 89 HB3 PHE 89 2.877 -14.269 -9.504 598 HD1 PHE 89 HD2 PHE 89 3.245 -11.111 -7.529 599 HD2 PHE 89 HD1 PHE 89 0.639 -13.765 -9.572 600 HE1 PHE 89 HE2 PHE 89 1.306 -9.603 -7.015 601 HE2 PHE 89 HE1 PHE 89 -1.300 -12.257 -9.058 602 HZ PHE 89 HZ PHE 89 -0.944 -10.194 -7.785 603 H ALA 90 H ALA 90 5.212 -15.849 -6.372 604 HA ALA 90 HA ALA 90 3.031 -17.693 -6.247 605 HB1 ALA 90 HB1 ALA 90 4.769 -19.392 -7.476 606 HB2 ALA 90 HB2 ALA 90 3.449 -18.548 -8.320 607 HB3 ALA 90 HB3 ALA 90 5.103 -17.892 -8.373 608 H GLY 91 H GLY 91 3.231 -18.341 -4.165 609 HA2 GLY 91 HA2 GLY 91 4.711 -19.905 -2.872 610 HA3 GLY 91 HA3 GLY 91 5.970 -18.710 -3.113 611 H THR 92 H THR 92 5.036 -19.561 -0.527 612 HA THR 92 HA THR 92 3.876 -17.024 0.411 613 HB THR 92 HB THR 92 2.571 -18.373 2.054 614 HG1 THR 92 HG1 THR 92 2.814 -20.688 1.881 615 HG21 THR 92 HG21 THR 92 1.741 -18.058 -0.447 616 HG22 THR 92 HG22 THR 92 2.146 -19.785 -0.603 617 HG23 THR 92 HG23 THR 92 0.929 -19.259 0.586 618 H ALA 93 H ALA 93 6.290 -16.569 0.469 619 HA ALA 93 HA ALA 93 8.031 -17.915 2.107 620 HB1 ALA 93 HB1 ALA 93 9.298 -15.844 2.121 621 HB2 ALA 93 HB2 ALA 93 8.534 -16.029 0.524 622 HB3 ALA 93 HB3 ALA 93 7.843 -14.902 1.716 623 H LEU 94 H LEU 94 6.131 -14.943 3.017 624 HA LEU 94 HA LEU 94 5.598 -14.149 5.023 625 HB2 LEU 94 HB2 LEU 94 4.483 -16.815 4.716 626 HB3 LEU 94 HB3 LEU 94 4.666 -16.381 6.404 627 HG LEU 94 HG LEU 94 3.376 -14.414 4.545 628 HD11 LEU 94 HD11 LEU 94 1.843 -15.907 3.903 629 HD12 LEU 94 HD12 LEU 94 2.353 -17.098 5.123 630 HD13 LEU 94 HD13 LEU 94 1.227 -15.793 5.568 631 HD21 LEU 94 HD21 LEU 94 1.974 -14.139 6.714 632 HD22 LEU 94 HD22 LEU 94 3.299 -15.045 7.483 633 HD23 LEU 94 HD23 LEU 94 3.635 -13.503 6.658 634 H GLY 95 H GLY 95 8.155 -14.019 5.131 635 HA2 GLY 95 HA2 GLY 95 9.189 -13.874 7.457 636 HA3 GLY 95 HA3 GLY 95 9.099 -15.624 7.420 637 H ALA 96 H ALA 96 11.581 -14.999 7.751 638 HA ALA 96 HA ALA 96 13.642 -15.046 6.950 639 HB1 ALA 96 HB1 ALA 96 12.605 -17.104 5.846 640 HB2 ALA 96 HB2 ALA 96 12.460 -16.123 4.368 641 HB3 ALA 96 HB3 ALA 96 14.065 -16.452 5.063 642 H TRP 97 H TRP 97 15.186 -14.032 5.369 643 HA TRP 97 HA TRP 97 13.906 -11.685 4.145 644 HB2 TRP 97 HB2 TRP 97 16.216 -10.670 4.418 645 HB3 TRP 97 HB3 TRP 97 15.235 -10.863 5.857 646 HD1 TRP 97 HD1 TRP 97 18.471 -12.176 4.271 647 HE1 TRP 97 HE1 TRP 97 19.900 -13.568 5.999 648 HE3 TRP 97 HE3 TRP 97 14.912 -12.318 7.900 649 HZ2 TRP 97 HZ2 TRP 97 19.394 -14.550 8.630 650 HZ3 TRP 97 HZ3 TRP 97 15.460 -13.514 10.018 651 HH2 TRP 97 HH2 TRP 97 17.611 -14.605 10.413 652 H LEU 98 H LEU 98 13.578 -12.351 2.022 653 HA LEU 98 HA LEU 98 14.109 -12.825 -0.070 654 HB2 LEU 98 HB2 LEU 98 16.006 -11.270 0.365 655 HB3 LEU 98 HB3 LEU 98 17.003 -12.652 0.773 656 HG LEU 98 HG LEU 98 16.449 -13.535 -1.582 657 HD11 LEU 98 HD11 LEU 98 14.761 -12.324 -2.502 658 HD12 LEU 98 HD12 LEU 98 15.232 -10.819 -1.676 659 HD13 LEU 98 HD13 LEU 98 16.136 -11.369 -3.108 660 HD21 LEU 98 HD21 LEU 98 18.527 -12.046 -0.577 661 HD22 LEU 98 HD22 LEU 98 18.493 -12.844 -2.167 662 HD23 LEU 98 HD23 LEU 98 18.060 -11.123 -2.026 663 H GLY 99 H GLY 99 14.389 -14.702 -1.354 664 HA2 GLY 99 HA2 GLY 99 14.953 -17.113 0.246 665 HA3 GLY 99 HA3 GLY 99 13.931 -17.022 -1.175 666 H SER 100 H SER 100 14.900 -16.806 -3.313 667 HA SER 100 HA SER 100 17.520 -17.996 -3.341 668 HB2 SER 100 HB2 SER 100 15.370 -17.542 -5.435 669 HB3 SER 100 HB3 SER 100 16.984 -18.042 -5.900 670 HG SER 100 HG SER 100 16.355 -20.031 -5.451 671 HA PRO 101 HA PRO 101 19.519 -14.351 -4.624 672 HB2 PRO 101 HB2 PRO 101 21.569 -15.288 -6.170 673 HB3 PRO 101 HB3 PRO 101 21.605 -15.304 -4.418 674 HG2 PRO 101 HG2 PRO 101 21.177 -17.557 -6.283 675 HG3 PRO 101 HG3 PRO 101 21.635 -17.604 -4.592 676 HD2 PRO 101 HD2 PRO 101 19.040 -18.154 -5.682 677 HD3 PRO 101 HD3 PRO 101 19.471 -18.087 -3.985 678 HA PRO 102 HA PRO 102 18.172 -12.958 -8.397 679 HB2 PRO 102 HB2 PRO 102 19.780 -10.801 -8.879 680 HB3 PRO 102 HB3 PRO 102 18.398 -10.745 -7.803 681 HG2 PRO 102 HG2 PRO 102 21.274 -10.828 -7.124 682 HG3 PRO 102 HG3 PRO 102 19.922 -10.351 -6.117 683 HD2 PRO 102 HD2 PRO 102 21.349 -12.837 -6.008 684 HD3 PRO 102 HD3 PRO 102 19.925 -12.404 -5.082 685 H SER 103 H SER 103 18.366 -13.068 -10.645 686 HA SER 103 HA SER 103 19.962 -14.977 -11.575 687 HB2 SER 103 HB2 SER 103 18.529 -12.679 -12.749 688 HB3 SER 103 HB3 SER 103 19.881 -13.200 -13.734 689 HG SER 103 HG SER 103 18.211 -14.486 -14.421 690 H SER 104 H SER 104 20.723 -11.417 -11.771 691 HA SER 104 HA SER 104 23.482 -12.165 -12.260 692 HB2 SER 104 HB2 SER 104 21.960 -9.548 -12.589 693 HB3 SER 104 HB3 SER 104 23.701 -9.651 -12.763 694 HG SER 104 HG SER 104 23.504 -10.890 -14.597 Start of MODEL 18 1 H MET 1 H1 MET 1 -16.718 -8.130 1.292 2 HA MET 1 HA MET 1 -19.040 -9.665 0.523 3 HB2 MET 1 HB2 MET 1 -19.581 -7.181 1.311 4 HB3 MET 1 HB3 MET 1 -18.861 -6.711 -0.216 5 HG2 MET 1 HG2 MET 1 -20.730 -7.310 -1.370 6 HG3 MET 1 HG3 MET 1 -20.741 -8.905 -0.646 7 HE1 MET 1 HE1 MET 1 -21.695 -9.447 1.702 8 HE2 MET 1 HE2 MET 1 -23.348 -8.842 1.970 9 HE3 MET 1 HE3 MET 1 -22.914 -9.585 0.412 10 H GLY 2 H GLY 2 -19.364 -9.593 -1.935 11 HA2 GLY 2 HA2 GLY 2 -17.641 -8.524 -3.761 12 HA3 GLY 2 HA3 GLY 2 -16.815 -9.964 -3.200 13 H LYS 3 H LYS 3 -17.443 -10.016 -5.818 14 HA LYS 3 HA LYS 3 -19.224 -12.210 -5.981 15 HB2 LYS 3 HB2 LYS 3 -20.338 -9.545 -6.409 16 HB3 LYS 3 HB3 LYS 3 -20.510 -10.561 -7.826 17 HG2 LYS 3 HG2 LYS 3 -21.360 -12.404 -6.187 18 HG3 LYS 3 HG3 LYS 3 -21.497 -11.121 -5.001 19 HD2 LYS 3 HD2 LYS 3 -23.437 -10.389 -5.922 20 HD3 LYS 3 HD3 LYS 3 -22.689 -10.230 -7.498 21 HE2 LYS 3 HE2 LYS 3 -23.462 -12.281 -8.230 22 HE3 LYS 3 HE3 LYS 3 -23.254 -13.041 -6.665 23 HZ1 LYS 3 HZ1 LYS 3 -25.247 -11.647 -5.951 24 HZ2 LYS 3 HZ2 LYS 3 -25.505 -11.322 -7.525 25 HZ3 LYS 3 HZ3 LYS 3 -25.517 -12.872 -7.001 26 H GLU 4 H GLU 4 -18.069 -9.453 -8.057 27 HA GLU 4 HA GLU 4 -16.957 -11.494 -9.808 28 HB2 GLU 4 HB2 GLU 4 -17.717 -8.589 -10.325 29 HB3 GLU 4 HB3 GLU 4 -16.880 -9.586 -11.498 30 HG2 GLU 4 HG2 GLU 4 -19.489 -10.514 -10.240 31 HG3 GLU 4 HG3 GLU 4 -19.490 -9.443 -11.627 32 H SER 5 H SER 5 -16.231 -8.157 -8.544 33 HA SER 5 HA SER 5 -13.423 -8.946 -8.631 34 HB2 SER 5 HB2 SER 5 -14.650 -6.170 -8.943 35 HB3 SER 5 HB3 SER 5 -12.929 -6.486 -8.860 36 HG SER 5 HG SER 5 -14.797 -7.213 -10.923 37 H GLY 6 H GLY 6 -12.211 -8.696 -6.729 38 HA2 GLY 6 HA2 GLY 6 -12.235 -7.108 -4.682 39 HA3 GLY 6 HA3 GLY 6 -13.754 -7.917 -4.352 40 H TRP 7 H TRP 7 -12.979 -8.896 -2.402 41 HA TRP 7 HA TRP 7 -11.798 -11.423 -2.770 42 HB2 TRP 7 HB2 TRP 7 -9.856 -9.573 -2.863 43 HB3 TRP 7 HB3 TRP 7 -9.965 -9.766 -1.124 44 HD1 TRP 7 HD1 TRP 7 -10.375 -12.914 -0.897 45 HE1 TRP 7 HE1 TRP 7 -8.489 -14.652 -1.518 46 HE3 TRP 7 HE3 TRP 7 -7.751 -9.781 -3.923 47 HZ2 TRP 7 HZ2 TRP 7 -6.164 -14.525 -3.168 48 HZ3 TRP 7 HZ3 TRP 7 -5.685 -10.667 -5.000 49 HH2 TRP 7 HH2 TRP 7 -4.882 -12.950 -4.663 50 H ASP 8 H ASP 8 -13.010 -12.536 -1.303 51 HA ASP 8 HA ASP 8 -14.559 -11.400 0.589 52 HB2 ASP 8 HB2 ASP 8 -13.977 -13.985 -0.278 53 HB3 ASP 8 HB3 ASP 8 -13.449 -14.035 1.392 54 H SER 9 H SER 9 -11.306 -12.993 1.009 55 HA SER 9 HA SER 9 -9.764 -12.828 2.526 56 HB2 SER 9 HB2 SER 9 -11.000 -10.071 2.816 57 HB3 SER 9 HB3 SER 9 -9.644 -10.551 3.816 58 HG SER 9 HG SER 9 -8.411 -9.990 2.165 59 H GLY 10 H GLY 10 -10.044 -14.324 4.153 60 HA2 GLY 10 HA2 GLY 10 -12.259 -14.521 5.820 61 HA3 GLY 10 HA3 GLY 10 -10.681 -15.224 6.110 62 H ARG 11 H ARG 11 -11.695 -14.617 8.410 63 HA ARG 11 HA ARG 11 -11.665 -11.948 9.153 64 HB2 ARG 11 HB2 ARG 11 -12.485 -14.263 10.339 65 HB3 ARG 11 HB3 ARG 11 -10.972 -14.046 11.196 66 HG2 ARG 11 HG2 ARG 11 -11.809 -11.561 11.540 67 HG3 ARG 11 HG3 ARG 11 -13.386 -12.209 11.137 68 HD2 ARG 11 HD2 ARG 11 -12.663 -14.078 12.959 69 HD3 ARG 11 HD3 ARG 11 -11.661 -12.765 13.544 70 HE ARG 11 HE ARG 11 -13.584 -11.664 14.293 71 HH11 ARG 11 HH22 ARG 11 -14.539 -14.133 11.938 72 HH12 ARG 11 HH21 ARG 11 -16.235 -13.915 12.212 73 HH21 ARG 11 HH12 ARG 11 -15.790 -11.391 14.639 74 HH22 ARG 11 HH11 ARG 11 -16.946 -12.341 13.762 75 H ALA 12 H ALA 12 -9.330 -14.576 10.131 76 HA ALA 12 HA ALA 12 -7.405 -13.061 11.253 77 HB1 ALA 12 HB1 ALA 12 -6.839 -15.381 9.373 78 HB2 ALA 12 HB2 ALA 12 -5.918 -14.892 10.816 79 HB3 ALA 12 HB3 ALA 12 -7.546 -15.590 10.993 80 H ALA 13 H ALA 13 -7.928 -13.659 7.731 81 HA ALA 13 HA ALA 13 -5.714 -12.610 6.639 82 HB1 ALA 13 HB1 ALA 13 -8.353 -13.199 5.841 83 HB2 ALA 13 HB2 ALA 13 -8.068 -11.522 5.318 84 HB3 ALA 13 HB3 ALA 13 -6.971 -12.819 4.785 85 H VAL 14 H VAL 14 -8.594 -10.687 7.744 86 HA VAL 14 HA VAL 14 -7.730 -8.198 7.120 87 HB VAL 14 HB VAL 14 -9.180 -9.125 9.608 88 HG11 VAL 14 HG11 VAL 14 -9.398 -6.385 8.353 89 HG12 VAL 14 HG12 VAL 14 -9.921 -6.923 9.967 90 HG13 VAL 14 HG13 VAL 14 -8.187 -6.747 9.607 91 HG21 VAL 14 HG21 VAL 14 -9.953 -9.436 6.989 92 HG22 VAL 14 HG22 VAL 14 -11.056 -9.337 8.383 93 HG23 VAL 14 HG23 VAL 14 -10.707 -7.882 7.418 94 H ALA 15 H ALA 15 -6.947 -10.070 10.128 95 HA ALA 15 HA ALA 15 -5.389 -8.146 11.339 96 HB1 ALA 15 HB1 ALA 15 -6.217 -10.307 12.318 97 HB2 ALA 15 HB2 ALA 15 -4.969 -11.160 11.378 98 HB3 ALA 15 HB3 ALA 15 -4.493 -9.994 12.635 99 H ALA 16 H ALA 16 -4.538 -10.616 8.849 100 HA ALA 16 HA ALA 16 -1.794 -10.153 8.855 101 HB1 ALA 16 HB1 ALA 16 -2.091 -11.959 7.544 102 HB2 ALA 16 HB2 ALA 16 -3.799 -11.549 7.259 103 HB3 ALA 16 HB3 ALA 16 -2.530 -10.837 6.234 104 H VAL 17 H VAL 17 -4.532 -8.405 7.381 105 HA VAL 17 HA VAL 17 -2.797 -6.782 5.762 106 HB VAL 17 HB VAL 17 -5.751 -6.730 6.393 107 HG11 VAL 17 HG11 VAL 17 -4.040 -4.719 5.087 108 HG12 VAL 17 HG12 VAL 17 -5.449 -5.217 4.121 109 HG13 VAL 17 HG13 VAL 17 -5.679 -4.570 5.764 110 HG21 VAL 17 HG21 VAL 17 -5.489 -7.179 3.706 111 HG22 VAL 17 HG22 VAL 17 -4.062 -8.027 4.349 112 HG23 VAL 17 HG23 VAL 17 -5.688 -8.450 4.936 113 H VAL 18 H VAL 18 -3.977 -6.847 9.043 114 HA VAL 18 HA VAL 18 -3.732 -4.009 9.428 115 HB VAL 18 HB VAL 18 -4.232 -6.374 11.232 116 HG11 VAL 18 HG11 VAL 18 -4.609 -4.801 13.070 117 HG12 VAL 18 HG12 VAL 18 -2.933 -4.694 12.481 118 HG13 VAL 18 HG13 VAL 18 -4.117 -3.445 12.028 119 HG21 VAL 18 HG21 VAL 18 -6.461 -5.716 11.262 120 HG22 VAL 18 HG22 VAL 18 -6.086 -4.047 10.770 121 HG23 VAL 18 HG23 VAL 18 -5.988 -5.369 9.582 122 H GLY 19 H GLY 19 -1.939 -6.984 10.492 123 HA2 GLY 19 HA2 GLY 19 0.080 -5.944 11.936 124 HA3 GLY 19 HA3 GLY 19 0.284 -7.273 10.812 125 H GLY 20 H GLY 20 1.877 -4.661 11.653 126 HA2 GLY 20 HA2 GLY 20 3.697 -4.009 10.208 127 HA3 GLY 20 HA3 GLY 20 2.563 -3.911 8.876 128 H VAL 21 H VAL 21 1.597 -2.825 12.117 129 HA VAL 21 HA VAL 21 0.612 -0.430 11.412 130 HB VAL 21 HB VAL 21 1.404 0.229 13.828 131 HG11 VAL 21 HG11 VAL 21 -0.818 -0.172 13.854 132 HG12 VAL 21 HG12 VAL 21 -0.675 -1.621 12.830 133 HG13 VAL 21 HG13 VAL 21 -0.346 -1.729 14.576 134 HG21 VAL 21 HG21 VAL 21 1.530 -2.568 14.575 135 HG22 VAL 21 HG22 VAL 21 2.863 -2.148 13.472 136 HG23 VAL 21 HG23 VAL 21 2.635 -1.233 14.981 137 H VAL 22 H VAL 22 4.042 -1.093 12.384 138 HA VAL 22 HA VAL 22 5.009 1.454 12.266 139 HB VAL 22 HB VAL 22 7.171 0.404 11.756 140 HG11 VAL 22 HG11 VAL 22 6.316 -1.615 13.631 141 HG12 VAL 22 HG12 VAL 22 7.268 -0.139 13.917 142 HG13 VAL 22 HG13 VAL 22 5.490 -0.077 13.979 143 HG21 VAL 22 HG21 VAL 22 7.194 -2.136 11.568 144 HG22 VAL 22 HG22 VAL 22 5.460 -2.027 11.183 145 HG23 VAL 22 HG23 VAL 22 6.657 -1.241 10.126 146 H ALA 23 H ALA 23 4.748 -0.929 9.537 147 HA ALA 23 HA ALA 23 5.769 0.713 7.569 148 HB1 ALA 23 HB1 ALA 23 3.783 -1.572 7.602 149 HB2 ALA 23 HB2 ALA 23 4.243 -0.768 6.082 150 HB3 ALA 23 HB3 ALA 23 5.482 -1.576 7.072 151 H VAL 24 H VAL 24 2.510 0.558 9.049 152 HA VAL 24 HA VAL 24 1.292 2.239 7.127 153 HB VAL 24 HB VAL 24 0.526 1.608 9.985 154 HG11 VAL 24 HG11 VAL 24 -1.706 2.283 9.406 155 HG12 VAL 24 HG12 VAL 24 -0.602 3.606 8.958 156 HG13 VAL 24 HG13 VAL 24 -1.251 2.524 7.702 157 HG21 VAL 24 HG21 VAL 24 0.448 0.027 7.509 158 HG22 VAL 24 HG22 VAL 24 0.306 -0.488 9.207 159 HG23 VAL 24 HG23 VAL 24 -1.122 0.130 8.342 160 H GLY 25 H GLY 25 3.203 2.736 10.087 161 HA2 GLY 25 HA2 GLY 25 2.490 5.453 10.498 162 HA3 GLY 25 HA3 GLY 25 3.880 4.606 11.148 163 H THR 26 H THR 26 5.291 3.808 8.865 164 HA THR 26 HA THR 26 6.611 6.184 8.172 165 HB THR 26 HB THR 26 6.631 3.300 7.178 166 HG1 THR 26 HG1 THR 26 8.341 5.174 8.655 167 HG21 THR 26 HG21 THR 26 7.455 4.511 5.245 168 HG22 THR 26 HG22 THR 26 8.306 5.691 6.271 169 HG23 THR 26 HG23 THR 26 8.898 4.016 6.161 170 H VAL 27 H VAL 27 4.193 4.182 6.392 171 HA VAL 27 HA VAL 27 4.309 5.669 4.034 172 HB VAL 27 HB VAL 27 2.092 4.039 5.288 173 HG11 VAL 27 HG11 VAL 27 0.834 4.197 3.382 174 HG12 VAL 27 HG12 VAL 27 1.606 5.800 3.343 175 HG13 VAL 27 HG13 VAL 27 2.246 4.480 2.336 176 HG21 VAL 27 HG21 VAL 27 4.495 3.105 4.562 177 HG22 VAL 27 HG22 VAL 27 2.996 2.174 4.330 178 HG23 VAL 27 HG23 VAL 27 3.703 3.076 2.968 179 H LEU 28 H LEU 28 2.353 6.029 7.043 180 HA LEU 28 HA LEU 28 0.769 8.129 6.059 181 HB2 LEU 28 HB2 LEU 28 1.221 6.715 8.559 182 HB3 LEU 28 HB3 LEU 28 0.951 8.427 8.821 183 HG LEU 28 HG LEU 28 -1.129 8.149 7.319 184 HD11 LEU 28 HD11 LEU 28 -1.500 5.384 8.118 185 HD12 LEU 28 HD12 LEU 28 -1.715 6.156 6.529 186 HD13 LEU 28 HD13 LEU 28 -0.109 5.570 7.024 187 HD21 LEU 28 HD21 LEU 28 -1.943 6.654 9.614 188 HD22 LEU 28 HD22 LEU 28 -0.683 7.811 10.106 189 HD23 LEU 28 HD23 LEU 28 -2.146 8.389 9.273 190 H VAL 29 H VAL 29 3.383 8.346 8.575 191 HA VAL 29 HA VAL 29 3.711 11.009 8.596 192 HB VAL 29 HB VAL 29 4.864 9.293 9.980 193 HG11 VAL 29 HG11 VAL 29 5.643 7.918 8.008 194 HG12 VAL 29 HG12 VAL 29 6.894 9.153 7.732 195 HG13 VAL 29 HG13 VAL 29 6.876 8.228 9.253 196 HG21 VAL 29 HG21 VAL 29 6.549 10.735 10.604 197 HG22 VAL 29 HG22 VAL 29 7.001 11.114 8.924 198 HG23 VAL 29 HG23 VAL 29 5.532 11.826 9.633 199 H ALA 30 H ALA 30 4.644 8.751 6.014 200 HA ALA 30 HA ALA 30 6.397 10.470 4.658 201 HB1 ALA 30 HB1 ALA 30 5.320 8.870 2.711 202 HB2 ALA 30 HB2 ALA 30 6.624 8.371 3.814 203 HB3 ALA 30 HB3 ALA 30 4.937 7.935 4.176 204 H LEU 31 H LEU 31 2.973 9.582 3.797 205 HA LEU 31 HA LEU 31 2.703 11.685 1.979 206 HB2 LEU 31 HB2 LEU 31 1.299 9.446 2.652 207 HB3 LEU 31 HB3 LEU 31 0.263 10.702 3.299 208 HG LEU 31 HG LEU 31 1.204 11.229 0.556 209 HD11 LEU 31 HD11 LEU 31 0.698 8.605 0.942 210 HD12 LEU 31 HD12 LEU 31 -0.947 9.193 0.601 211 HD13 LEU 31 HD13 LEU 31 0.360 9.471 -0.576 212 HD21 LEU 31 HD21 LEU 31 -1.655 11.083 1.469 213 HD22 LEU 31 HD22 LEU 31 -0.603 12.414 2.007 214 HD23 LEU 31 HD23 LEU 31 -0.894 12.157 0.270 215 H SER 32 H SER 32 1.153 11.345 5.254 216 HA SER 32 HA SER 32 0.175 13.837 5.434 217 HB2 SER 32 HB2 SER 32 0.415 11.683 7.133 218 HB3 SER 32 HB3 SER 32 1.446 12.847 7.941 219 HG SER 32 HG SER 32 -1.002 13.910 7.050 220 H ALA 33 H ALA 33 3.371 12.799 6.856 221 HA ALA 33 HA ALA 33 4.172 15.583 6.983 222 HB1 ALA 33 HB1 ALA 33 6.229 13.705 7.740 223 HB2 ALA 33 HB2 ALA 33 5.316 14.838 8.766 224 HB3 ALA 33 HB3 ALA 33 4.681 13.203 8.462 225 H MET 34 H MET 34 3.879 15.450 4.442 226 HA MET 34 HA MET 34 5.831 14.066 3.007 227 HB2 MET 34 HB2 MET 34 3.603 15.060 2.172 228 HB3 MET 34 HB3 MET 34 4.358 16.641 2.225 229 HG2 MET 34 HG2 MET 34 6.241 15.236 0.780 230 HG3 MET 34 HG3 MET 34 4.779 14.403 0.292 231 HE1 MET 34 HE1 MET 34 4.577 15.763 -2.567 232 HE2 MET 34 HE2 MET 34 3.704 14.790 -1.360 233 HE3 MET 34 HE3 MET 34 3.000 16.313 -1.952 234 H GLY 35 H GLY 35 5.616 17.455 4.241 235 HA2 GLY 35 HA2 GLY 35 8.531 17.669 3.901 236 HA3 GLY 35 HA3 GLY 35 7.492 18.899 3.210 237 H PHE 36 H PHE 36 7.108 17.068 6.313 238 HA PHE 36 HA PHE 36 6.949 17.737 8.406 239 HB2 PHE 36 HB2 PHE 36 9.241 18.867 7.430 240 HB3 PHE 36 HB3 PHE 36 8.358 20.347 7.747 241 HD1 PHE 36 HD2 PHE 36 7.676 20.906 10.069 242 HD2 PHE 36 HD1 PHE 36 10.148 17.564 9.216 243 HE1 PHE 36 HE2 PHE 36 8.369 20.804 12.479 244 HE2 PHE 36 HE1 PHE 36 10.842 17.463 11.626 245 HZ PHE 36 HZ PHE 36 9.944 19.084 13.229 246 H THR 37 H THR 37 4.723 18.313 6.839 247 HA THR 37 HA THR 37 3.675 20.603 8.267 248 HB THR 37 HB THR 37 2.778 21.470 5.965 249 HG1 THR 37 HG1 THR 37 5.170 19.940 5.231 250 HG21 THR 37 HG21 THR 37 5.810 21.570 6.393 251 HG22 THR 37 HG22 THR 37 4.828 22.739 5.476 252 HG23 THR 37 HG23 THR 37 4.653 22.623 7.244 253 H SER 38 H SER 38 1.757 20.067 9.088 254 HA SER 38 HA SER 38 -0.354 19.130 7.792 255 HB2 SER 38 HB2 SER 38 -0.259 16.596 8.588 256 HB3 SER 38 HB3 SER 38 0.419 17.074 7.045 257 HG SER 38 HG SER 38 1.765 16.411 9.486 258 H VAL 39 H VAL 39 1.717 18.998 10.663 259 HA VAL 39 HA VAL 39 -0.017 18.121 12.586 260 HB VAL 39 HB VAL 39 2.163 18.454 13.247 261 HG11 VAL 39 HG11 VAL 39 2.072 20.693 11.433 262 HG12 VAL 39 HG12 VAL 39 2.785 21.202 12.982 263 HG13 VAL 39 HG13 VAL 39 3.483 19.829 12.089 264 HG21 VAL 39 HG21 VAL 39 0.611 19.233 14.983 265 HG22 VAL 39 HG22 VAL 39 2.149 20.128 15.044 266 HG23 VAL 39 HG23 VAL 39 0.705 20.888 14.333 267 H GLY 40 H GLY 40 0.670 21.657 12.243 268 HA2 GLY 40 HA2 GLY 40 -1.428 22.690 13.541 269 HA3 GLY 40 HA3 GLY 40 -0.760 23.413 12.091 270 H ILE 41 H ILE 41 -1.515 22.043 9.956 271 HA ILE 41 HA ILE 41 -4.100 22.661 9.487 272 HB ILE 41 HB ILE 41 -2.446 20.423 8.320 273 HG12 ILE 41 HG12 ILE 41 -2.969 23.055 6.985 274 HG13 ILE 41 HG13 ILE 41 -1.771 22.982 8.262 275 HG21 ILE 41 HG21 ILE 41 -4.351 21.435 6.462 276 HG22 ILE 41 HG22 ILE 41 -4.189 19.786 7.110 277 HG23 ILE 41 HG23 ILE 41 -5.218 20.973 7.947 278 HD11 ILE 41 HD11 ILE 41 -0.878 20.863 6.950 279 HD12 ILE 41 HD12 ILE 41 -1.783 21.567 5.589 280 HD13 ILE 41 HD13 ILE 41 -0.477 22.496 6.365 281 H ALA 42 H ALA 42 -2.831 19.510 10.737 282 HA ALA 42 HA ALA 42 -5.227 18.151 10.799 283 HB1 ALA 42 HB1 ALA 42 -2.836 17.335 11.237 284 HB2 ALA 42 HB2 ALA 42 -3.044 17.937 12.899 285 HB3 ALA 42 HB3 ALA 42 -4.108 16.652 12.279 286 H ALA 43 H ALA 43 -3.737 20.345 13.266 287 HA ALA 43 HA ALA 43 -5.729 20.010 15.189 288 HB1 ALA 43 HB1 ALA 43 -3.319 21.257 15.056 289 HB2 ALA 43 HB2 ALA 43 -4.402 22.665 14.940 290 HB3 ALA 43 HB3 ALA 43 -4.514 21.567 16.337 291 H SER 44 H SER 44 -5.575 21.883 12.183 292 HA SER 44 HA SER 44 -7.725 23.576 12.885 293 HB2 SER 44 HB2 SER 44 -5.812 23.372 10.779 294 HB3 SER 44 HB3 SER 44 -7.385 23.275 10.011 295 HG SER 44 HG SER 44 -7.985 25.254 11.156 296 H SER 45 H SER 45 -7.446 21.056 10.264 297 HA SER 45 HA SER 45 -10.040 20.843 9.656 298 HB2 SER 45 HB2 SER 45 -8.131 18.477 9.904 299 HB3 SER 45 HB3 SER 45 -9.548 18.556 8.875 300 HG SER 45 HG SER 45 -7.021 19.858 8.589 301 H ILE 46 H ILE 46 -8.344 19.503 12.505 302 HA ILE 46 HA ILE 46 -10.439 17.795 13.317 303 HB ILE 46 HB ILE 46 -7.951 18.907 14.540 304 HG12 ILE 46 HG12 ILE 46 -8.885 16.042 14.272 305 HG13 ILE 46 HG13 ILE 46 -8.060 16.889 12.978 306 HG21 ILE 46 HG21 ILE 46 -8.560 17.449 16.580 307 HG22 ILE 46 HG22 ILE 46 -9.271 19.076 16.451 308 HG23 ILE 46 HG23 ILE 46 -10.242 17.645 16.032 309 HD11 ILE 46 HD11 ILE 46 -6.420 15.637 14.301 310 HD12 ILE 46 HD12 ILE 46 -6.152 17.380 14.543 311 HD13 ILE 46 HD13 ILE 46 -6.980 16.425 15.796 312 H ALA 47 H ALA 47 -9.365 21.062 14.499 313 HA ALA 47 HA ALA 47 -11.370 21.472 16.311 314 HB1 ALA 47 HB1 ALA 47 -9.343 22.989 14.946 315 HB2 ALA 47 HB2 ALA 47 -10.847 23.941 14.974 316 HB3 ALA 47 HB3 ALA 47 -10.144 23.342 16.496 317 H ALA 48 H ALA 48 -11.355 22.520 12.825 318 HA ALA 48 HA ALA 48 -13.806 23.598 12.637 319 HB1 ALA 48 HB1 ALA 48 -12.787 23.680 10.608 320 HB2 ALA 48 HB2 ALA 48 -11.977 22.112 10.841 321 HB3 ALA 48 HB3 ALA 48 -13.671 22.166 10.300 322 H LYS 49 H LYS 49 -13.055 20.053 12.376 323 HA LYS 49 HA LYS 49 -14.289 18.271 12.801 324 HB2 LYS 49 HB2 LYS 49 -15.364 20.264 14.600 325 HB3 LYS 49 HB3 LYS 49 -16.640 19.188 14.068 326 HG2 LYS 49 HG2 LYS 49 -15.083 17.226 14.622 327 HG3 LYS 49 HG3 LYS 49 -13.990 18.385 15.350 328 HD2 LYS 49 HD2 LYS 49 -15.909 19.154 16.842 329 HD3 LYS 49 HD3 LYS 49 -16.876 17.847 16.188 330 HE2 LYS 49 HE2 LYS 49 -15.568 16.173 17.215 331 HE3 LYS 49 HE3 LYS 49 -14.148 17.194 17.317 332 HZ1 LYS 49 HZ1 LYS 49 -15.850 16.766 19.365 333 HZ2 LYS 49 HZ2 LYS 49 -14.852 18.050 19.280 334 HZ3 LYS 49 HZ3 LYS 49 -16.398 18.183 18.758 335 H MET 50 H MET 50 -14.372 18.739 10.297 336 HA MET 50 HA MET 50 -16.400 19.768 8.963 337 HB2 MET 50 HB2 MET 50 -14.545 17.498 8.610 338 HB3 MET 50 HB3 MET 50 -16.042 17.218 7.744 339 HG2 MET 50 HG2 MET 50 -15.659 18.931 6.242 340 HG3 MET 50 HG3 MET 50 -14.936 19.975 7.449 341 HE1 MET 50 HE1 MET 50 -12.146 20.556 6.382 342 HE2 MET 50 HE2 MET 50 -12.932 20.326 7.962 343 HE3 MET 50 HE3 MET 50 -11.432 19.447 7.578 344 H MET 51 H MET 51 -16.471 16.224 9.798 345 HA MET 51 HA MET 51 -18.095 14.956 10.537 346 HB2 MET 51 HB2 MET 51 -18.854 17.422 11.573 347 HB3 MET 51 HB3 MET 51 -20.252 17.040 10.588 348 HG2 MET 51 HG2 MET 51 -20.085 14.658 11.764 349 HG3 MET 51 HG3 MET 51 -19.143 15.520 12.964 350 HE1 MET 51 HE1 MET 51 -22.405 14.300 13.802 351 HE2 MET 51 HE2 MET 51 -20.751 14.541 14.414 352 HE3 MET 51 HE3 MET 51 -22.092 15.510 15.069 353 H SER 52 H SER 52 -18.225 13.820 8.557 354 HA SER 52 HA SER 52 -19.321 12.962 6.878 355 HB2 SER 52 HB2 SER 52 -21.391 14.201 8.224 356 HB3 SER 52 HB3 SER 52 -21.508 14.965 6.651 357 HG SER 52 HG SER 52 -21.712 12.902 5.659 358 H THR 53 H THR 53 -20.112 16.511 6.603 359 HA THR 53 HA THR 53 -18.171 16.823 4.496 360 HB THR 53 HB THR 53 -20.029 17.612 2.892 361 HG1 THR 53 HG1 THR 53 -21.686 17.727 4.565 362 HG21 THR 53 HG21 THR 53 -20.520 15.425 2.056 363 HG22 THR 53 HG22 THR 53 -18.953 15.215 2.874 364 HG23 THR 53 HG23 THR 53 -20.454 14.700 3.681 365 H ALA 54 H ALA 54 -17.550 18.955 4.187 366 HA ALA 54 HA ALA 54 -18.936 21.200 4.821 367 HB1 ALA 54 HB1 ALA 54 -17.479 21.451 7.162 368 HB2 ALA 54 HB2 ALA 54 -19.215 21.072 7.063 369 HB3 ALA 54 HB3 ALA 54 -18.025 19.758 7.225 370 H ALA 55 H ALA 55 -17.467 21.110 2.797 371 HA ALA 55 HA ALA 55 -15.232 22.776 3.327 372 HB1 ALA 55 HB1 ALA 55 -13.695 21.151 3.637 373 HB2 ALA 55 HB2 ALA 55 -14.825 19.875 3.121 374 HB3 ALA 55 HB3 ALA 55 -13.896 20.787 1.906 375 H ILE 56 H ILE 56 -14.578 23.872 1.424 376 HA ILE 56 HA ILE 56 -16.345 23.337 -0.848 377 HB ILE 56 HB ILE 56 -14.878 25.812 0.056 378 HG12 ILE 56 HG12 ILE 56 -17.626 26.287 -0.329 379 HG13 ILE 56 HG13 ILE 56 -17.537 24.747 0.503 380 HG21 ILE 56 HG21 ILE 56 -14.725 26.251 -2.152 381 HG22 ILE 56 HG22 ILE 56 -16.001 25.089 -2.589 382 HG23 ILE 56 HG23 ILE 56 -16.438 26.695 -1.959 383 HD11 ILE 56 HD11 ILE 56 -15.875 25.860 2.129 384 HD12 ILE 56 HD12 ILE 56 -16.349 27.407 1.385 385 HD13 ILE 56 HD13 ILE 56 -17.564 26.414 2.226 386 H ALA 57 H ALA 57 -14.643 21.406 -0.982 387 HA ALA 57 HA ALA 57 -13.085 21.953 -3.249 388 HB1 ALA 57 HB1 ALA 57 -11.781 22.242 -0.605 389 HB2 ALA 57 HB2 ALA 57 -10.932 21.166 -1.740 390 HB3 ALA 57 HB3 ALA 57 -11.280 22.849 -2.201 391 H ASN 58 H ASN 58 -14.997 20.182 -3.162 392 HA ASN 58 HA ASN 58 -13.773 17.787 -3.642 393 HB2 ASN 58 HB2 ASN 58 -14.035 18.149 -0.860 394 HB3 ASN 58 HB3 ASN 58 -15.432 17.171 -1.265 395 HD21 ASN 58 HD21 ASN 58 -13.099 16.460 0.271 396 HD22 ASN 58 HD22 ASN 58 -12.340 15.108 -0.500 397 H GLY 59 H GLY 59 -15.553 15.989 -3.937 398 HA2 GLY 59 HA2 GLY 59 -18.298 16.879 -3.879 399 HA3 GLY 59 HA3 GLY 59 -17.614 16.795 -5.490 400 H GLY 60 H GLY 60 -17.573 14.803 -2.439 401 HA2 GLY 60 HA2 GLY 60 -18.971 12.644 -3.181 402 HA3 GLY 60 HA3 GLY 60 -17.449 12.361 -4.001 403 H GLY 61 H GLY 61 -15.486 13.232 -2.305 404 HA2 GLY 61 HA2 GLY 61 -14.991 13.157 0.096 405 HA3 GLY 61 HA3 GLY 61 -15.994 11.723 0.191 406 H VAL 62 H VAL 62 -15.104 9.708 -0.214 407 HA VAL 62 HA VAL 62 -12.466 9.251 -0.073 408 HB VAL 62 HB VAL 62 -14.473 7.664 -0.050 409 HG11 VAL 62 HG11 VAL 62 -13.760 7.357 -2.984 410 HG12 VAL 62 HG12 VAL 62 -15.012 6.479 -2.073 411 HG13 VAL 62 HG13 VAL 62 -15.197 8.221 -2.387 412 HG21 VAL 62 HG21 VAL 62 -13.068 5.814 -0.186 413 HG22 VAL 62 HG22 VAL 62 -12.129 6.494 -1.537 414 HG23 VAL 62 HG23 VAL 62 -11.923 7.145 0.107 415 H ALA 63 H ALA 63 -10.785 8.622 -1.630 416 HA ALA 63 HA ALA 63 -9.663 8.757 -3.553 417 HB1 ALA 63 HB1 ALA 63 -10.859 8.471 -5.438 418 HB2 ALA 63 HB2 ALA 63 -12.325 8.669 -4.447 419 HB3 ALA 63 HB3 ALA 63 -11.614 10.075 -5.276 420 H ALA 64 H ALA 64 -11.942 11.577 -3.803 421 HA ALA 64 HA ALA 64 -11.567 13.751 -3.404 422 HB1 ALA 64 HB1 ALA 64 -9.808 12.826 -1.696 423 HB2 ALA 64 HB2 ALA 64 -8.619 13.290 -2.937 424 HB3 ALA 64 HB3 ALA 64 -9.694 14.520 -2.230 425 H GLY 65 H GLY 65 -8.397 12.606 -4.765 426 HA2 GLY 65 HA2 GLY 65 -8.919 13.000 -7.439 427 HA3 GLY 65 HA3 GLY 65 -8.456 14.576 -6.828 428 H SER 66 H SER 66 -6.327 14.853 -5.791 429 HA SER 66 HA SER 66 -4.302 13.768 -7.200 430 HB2 SER 66 HB2 SER 66 -4.475 15.691 -5.316 431 HB3 SER 66 HB3 SER 66 -3.775 14.435 -4.314 432 HG SER 66 HG SER 66 -2.504 14.649 -6.789 433 H LEU 67 H LEU 67 -5.632 12.674 -4.012 434 HA LEU 67 HA LEU 67 -3.829 10.711 -3.420 435 HB2 LEU 67 HB2 LEU 67 -6.626 11.329 -2.770 436 HB3 LEU 67 HB3 LEU 67 -6.208 9.636 -2.598 437 HG LEU 67 HG LEU 67 -4.097 10.982 -1.356 438 HD11 LEU 67 HD11 LEU 67 -6.557 12.591 -1.222 439 HD12 LEU 67 HD12 LEU 67 -5.823 12.225 0.358 440 HD13 LEU 67 HD13 LEU 67 -4.864 13.038 -0.902 441 HD21 LEU 67 HD21 LEU 67 -6.535 9.839 0.024 442 HD22 LEU 67 HD22 LEU 67 -5.261 8.845 -0.724 443 HD23 LEU 67 HD23 LEU 67 -4.865 9.925 0.634 444 H VAL 68 H VAL 68 -6.599 10.626 -5.714 445 HA VAL 68 HA VAL 68 -6.676 7.952 -6.254 446 HB VAL 68 HB VAL 68 -6.908 10.164 -8.299 447 HG11 VAL 68 HG11 VAL 68 -7.123 8.139 -9.440 448 HG12 VAL 68 HG12 VAL 68 -7.960 7.346 -8.084 449 HG13 VAL 68 HG13 VAL 68 -8.809 8.567 -9.063 450 HG21 VAL 68 HG21 VAL 68 -8.550 11.065 -7.089 451 HG22 VAL 68 HG22 VAL 68 -9.458 9.543 -7.247 452 HG23 VAL 68 HG23 VAL 68 -8.387 9.799 -5.849 453 H ALA 69 H ALA 69 -4.452 10.460 -7.610 454 HA ALA 69 HA ALA 69 -3.146 8.702 -9.368 455 HB1 ALA 69 HB1 ALA 69 -3.058 11.456 -8.589 456 HB2 ALA 69 HB2 ALA 69 -1.405 10.806 -8.486 457 HB3 ALA 69 HB3 ALA 69 -2.315 10.685 -10.011 458 H ILE 70 H ILE 70 -2.751 9.512 -5.907 459 HA ILE 70 HA ILE 70 -0.217 8.358 -5.595 460 HB ILE 70 HB ILE 70 -2.456 8.767 -3.610 461 HG12 ILE 70 HG12 ILE 70 -1.995 10.894 -4.425 462 HG13 ILE 70 HG13 ILE 70 -0.970 10.781 -3.008 463 HG21 ILE 70 HG21 ILE 70 0.494 8.444 -3.027 464 HG22 ILE 70 HG22 ILE 70 -0.857 8.526 -1.871 465 HG23 ILE 70 HG23 ILE 70 -0.681 7.110 -2.935 466 HD11 ILE 70 HD11 ILE 70 0.535 11.611 -4.599 467 HD12 ILE 70 HD12 ILE 70 0.835 9.861 -4.723 468 HD13 ILE 70 HD13 ILE 70 -0.194 10.675 -5.926 469 H LEU 71 H LEU 71 -3.509 7.039 -4.781 470 HA LEU 71 HA LEU 71 -2.641 4.504 -4.129 471 HB2 LEU 71 HB2 LEU 71 -4.916 5.657 -3.836 472 HB3 LEU 71 HB3 LEU 71 -5.274 5.097 -5.458 473 HG LEU 71 HG LEU 71 -4.389 3.184 -3.299 474 HD11 LEU 71 HD11 LEU 71 -6.592 2.819 -2.573 475 HD12 LEU 71 HD12 LEU 71 -6.405 4.589 -2.605 476 HD13 LEU 71 HD13 LEU 71 -7.286 3.763 -3.913 477 HD21 LEU 71 HD21 LEU 71 -5.389 2.983 -6.068 478 HD22 LEU 71 HD22 LEU 71 -4.353 1.881 -5.129 479 HD23 LEU 71 HD23 LEU 71 -6.119 1.844 -4.911 480 H GLN 72 H GLN 72 -3.191 6.041 -7.296 481 HA GLN 72 HA GLN 72 -3.317 3.751 -8.813 482 HB2 GLN 72 HB2 GLN 72 -3.199 6.549 -9.251 483 HB3 GLN 72 HB3 GLN 72 -1.863 5.889 -10.174 484 HG2 GLN 72 HG2 GLN 72 -3.319 4.405 -11.412 485 HG3 GLN 72 HG3 GLN 72 -4.658 4.683 -10.316 486 HE21 GLN 72 HE21 GLN 72 -6.138 5.548 -11.608 487 HE22 GLN 72 HE22 GLN 72 -5.969 7.012 -12.518 488 H SER 73 H SER 73 -0.411 5.929 -8.530 489 HA SER 73 HA SER 73 1.304 3.990 -9.535 490 HB2 SER 73 HB2 SER 73 1.517 6.638 -9.163 491 HB3 SER 73 HB3 SER 73 2.318 6.143 -7.685 492 HG SER 73 HG SER 73 3.195 4.710 -9.920 493 H VAL 74 H VAL 74 1.197 5.363 -6.158 494 HA VAL 74 HA VAL 74 2.834 3.655 -4.904 495 HB VAL 74 HB VAL 74 0.163 4.659 -3.899 496 HG11 VAL 74 HG11 VAL 74 2.398 4.408 -1.998 497 HG12 VAL 74 HG12 VAL 74 0.685 3.954 -1.827 498 HG13 VAL 74 HG13 VAL 74 1.819 2.855 -2.649 499 HG21 VAL 74 HG21 VAL 74 2.460 6.091 -4.746 500 HG22 VAL 74 HG22 VAL 74 1.021 6.717 -3.906 501 HG23 VAL 74 HG23 VAL 74 2.430 6.166 -2.968 502 H GLY 75 H GLY 75 -0.532 3.000 -5.970 503 HA2 GLY 75 HA2 GLY 75 -0.893 0.551 -4.666 504 HA3 GLY 75 HA3 GLY 75 -1.699 1.087 -6.127 505 H ALA 76 H ALA 76 -0.120 1.087 -8.183 506 HA ALA 76 HA ALA 76 0.507 -1.566 -8.689 507 HB1 ALA 76 HB1 ALA 76 0.208 -0.446 -10.651 508 HB2 ALA 76 HB2 ALA 76 0.850 1.080 -9.998 509 HB3 ALA 76 HB3 ALA 76 1.967 -0.194 -10.543 510 H ALA 77 H ALA 77 2.863 1.196 -8.423 511 HA ALA 77 HA ALA 77 5.154 -0.218 -8.355 512 HB1 ALA 77 HB1 ALA 77 5.337 1.841 -6.361 513 HB2 ALA 77 HB2 ALA 77 5.904 1.875 -8.048 514 HB3 ALA 77 HB3 ALA 77 4.251 2.404 -7.654 515 H GLY 78 H GLY 78 3.477 0.868 -5.313 516 HA2 GLY 78 HA2 GLY 78 4.836 -0.464 -3.439 517 HA3 GLY 78 HA3 GLY 78 3.094 -0.285 -3.395 518 H LEU 79 H LEU 79 1.800 -1.962 -4.745 519 HA LEU 79 HA LEU 79 2.185 -4.455 -3.780 520 HB2 LEU 79 HB2 LEU 79 0.402 -3.199 -5.453 521 HB3 LEU 79 HB3 LEU 79 1.091 -4.423 -6.500 522 HG LEU 79 HG LEU 79 -0.042 -5.066 -3.770 523 HD11 LEU 79 HD11 LEU 79 -1.728 -5.851 -6.001 524 HD12 LEU 79 HD12 LEU 79 -2.139 -4.980 -4.504 525 HD13 LEU 79 HD13 LEU 79 -1.524 -4.085 -5.914 526 HD21 LEU 79 HD21 LEU 79 0.407 -7.215 -4.201 527 HD22 LEU 79 HD22 LEU 79 -0.102 -7.087 -5.901 528 HD23 LEU 79 HD23 LEU 79 1.535 -6.579 -5.421 529 H SER 80 H SER 80 3.799 -2.911 -6.552 530 HA SER 80 HA SER 80 4.796 -5.235 -7.684 531 HB2 SER 80 HB2 SER 80 4.876 -2.522 -8.258 532 HB3 SER 80 HB3 SER 80 6.549 -2.846 -7.848 533 HG SER 80 HG SER 80 5.020 -3.742 -10.048 534 H VAL 81 H VAL 81 6.780 -2.744 -5.924 535 HA VAL 81 HA VAL 81 8.938 -4.331 -5.427 536 HB VAL 81 HB VAL 81 7.730 -2.062 -3.843 537 HG11 VAL 81 HG11 VAL 81 9.194 -3.415 -2.385 538 HG12 VAL 81 HG12 VAL 81 10.514 -3.244 -3.566 539 HG13 VAL 81 HG13 VAL 81 9.884 -1.809 -2.722 540 HG21 VAL 81 HG21 VAL 81 8.804 -0.653 -5.238 541 HG22 VAL 81 HG22 VAL 81 10.249 -1.688 -5.336 542 HG23 VAL 81 HG23 VAL 81 8.830 -2.043 -6.349 543 H THR 82 H THR 82 5.745 -4.389 -3.928 544 HA THR 82 HA THR 82 6.482 -5.711 -1.545 545 HB THR 82 HB THR 82 3.855 -5.667 -3.124 546 HG1 THR 82 HG1 THR 82 4.913 -4.097 -0.883 547 HG21 THR 82 HG21 THR 82 4.520 -7.079 -0.750 548 HG22 THR 82 HG22 THR 82 3.722 -5.588 -0.195 549 HG23 THR 82 HG23 THR 82 2.881 -6.683 -1.320 550 H SER 83 H SER 83 4.430 -7.272 -4.052 551 HA SER 83 HA SER 83 4.986 -9.787 -3.363 552 HB2 SER 83 HB2 SER 83 3.488 -8.697 -5.289 553 HB3 SER 83 HB3 SER 83 4.837 -9.152 -6.310 554 HG SER 83 HG SER 83 3.576 -10.960 -6.354 555 H LYS 84 H LYS 84 6.835 -7.766 -5.744 556 HA LYS 84 HA LYS 84 8.646 -9.632 -6.581 557 HB2 LYS 84 HB2 LYS 84 8.263 -7.188 -7.311 558 HB3 LYS 84 HB3 LYS 84 9.389 -6.756 -6.040 559 HG2 LYS 84 HG2 LYS 84 11.079 -8.343 -7.045 560 HG3 LYS 84 HG3 LYS 84 9.957 -8.673 -8.350 561 HD2 LYS 84 HD2 LYS 84 10.589 -5.785 -7.780 562 HD3 LYS 84 HD3 LYS 84 11.850 -6.748 -8.523 563 HE2 LYS 84 HE2 LYS 84 9.173 -7.139 -9.754 564 HE3 LYS 84 HE3 LYS 84 9.777 -5.500 -9.892 565 HZ1 LYS 84 HZ1 LYS 84 11.705 -7.597 -10.498 566 HZ2 LYS 84 HZ2 LYS 84 10.488 -7.441 -11.569 567 HZ3 LYS 84 HZ3 LYS 84 11.427 -6.150 -11.211 568 H VAL 85 H VAL 85 8.992 -7.374 -3.753 569 HA VAL 85 HA VAL 85 11.413 -8.347 -2.870 570 HB VAL 85 HB VAL 85 9.065 -7.001 -1.581 571 HG11 VAL 85 HG11 VAL 85 10.394 -6.767 0.507 572 HG12 VAL 85 HG12 VAL 85 9.902 -8.446 0.179 573 HG13 VAL 85 HG13 VAL 85 11.575 -7.929 -0.144 574 HG21 VAL 85 HG21 VAL 85 10.887 -5.919 -3.118 575 HG22 VAL 85 HG22 VAL 85 10.373 -5.086 -1.632 576 HG23 VAL 85 HG23 VAL 85 11.901 -5.998 -1.657 577 H ILE 86 H ILE 86 8.129 -9.682 -2.587 578 HA ILE 86 HA ILE 86 8.884 -11.585 -0.588 579 HB ILE 86 HB ILE 86 6.436 -11.334 -2.339 580 HG12 ILE 86 HG12 ILE 86 6.647 -9.423 -0.897 581 HG13 ILE 86 HG13 ILE 86 5.379 -10.461 -0.275 582 HG21 ILE 86 HG21 ILE 86 6.969 -13.137 0.037 583 HG22 ILE 86 HG22 ILE 86 5.377 -12.871 -0.713 584 HG23 ILE 86 HG23 ILE 86 6.685 -13.635 -1.648 585 HD11 ILE 86 HD11 ILE 86 7.404 -11.516 1.139 586 HD12 ILE 86 HD12 ILE 86 8.112 -9.907 0.855 587 HD13 ILE 86 HD13 ILE 86 6.548 -10.056 1.692 588 H GLY 87 H GLY 87 7.523 -12.177 -3.897 589 HA2 GLY 87 HA2 GLY 87 8.986 -13.288 -5.518 590 HA3 GLY 87 HA3 GLY 87 9.566 -14.296 -4.208 591 H GLY 88 H GLY 88 6.325 -13.221 -5.482 592 HA2 GLY 88 HA2 GLY 88 4.490 -14.395 -6.034 593 HA3 GLY 88 HA3 GLY 88 5.524 -15.783 -6.310 594 H PHE 89 H PHE 89 3.210 -14.285 -4.184 595 HA PHE 89 HA PHE 89 3.816 -15.653 -1.817 596 HB2 PHE 89 HB2 PHE 89 2.172 -13.640 -2.531 597 HB3 PHE 89 HB3 PHE 89 1.011 -14.928 -2.784 598 HD1 PHE 89 HD1 PHE 89 3.035 -13.176 -0.264 599 HD2 PHE 89 HD2 PHE 89 0.011 -16.077 -0.930 600 HE1 PHE 89 HE1 PHE 89 2.467 -13.145 2.180 601 HE2 PHE 89 HE2 PHE 89 -0.558 -16.046 1.515 602 HZ PHE 89 HZ PHE 89 0.677 -14.580 3.041 603 H ALA 90 H ALA 90 4.245 -17.875 -2.263 604 HA ALA 90 HA ALA 90 1.838 -19.452 -2.473 605 HB1 ALA 90 HB1 ALA 90 2.402 -20.631 -4.433 606 HB2 ALA 90 HB2 ALA 90 2.754 -18.937 -4.851 607 HB3 ALA 90 HB3 ALA 90 4.081 -20.041 -4.417 608 H GLY 91 H GLY 91 2.149 -21.608 -1.648 609 HA2 GLY 91 HA2 GLY 91 3.002 -22.976 -0.065 610 HA3 GLY 91 HA3 GLY 91 4.437 -22.926 -1.070 611 H THR 92 H THR 92 6.297 -21.904 -0.331 612 HA THR 92 HA THR 92 6.593 -21.398 2.365 613 HB THR 92 HB THR 92 8.324 -21.837 0.456 614 HG1 THR 92 HG1 THR 92 8.745 -19.612 2.318 615 HG21 THR 92 HG21 THR 92 7.618 -19.701 -0.836 616 HG22 THR 92 HG22 THR 92 8.389 -18.783 0.481 617 HG23 THR 92 HG23 THR 92 9.361 -19.885 -0.524 618 H ALA 93 H ALA 93 6.620 -19.598 3.699 619 HA ALA 93 HA ALA 93 4.970 -17.426 2.711 620 HB1 ALA 93 HB1 ALA 93 6.088 -17.750 5.507 621 HB2 ALA 93 HB2 ALA 93 4.594 -16.934 4.989 622 HB3 ALA 93 HB3 ALA 93 4.697 -18.710 4.948 623 H LEU 94 H LEU 94 5.746 -15.181 3.902 624 HA LEU 94 HA LEU 94 8.071 -14.467 2.476 625 HB2 LEU 94 HB2 LEU 94 7.604 -12.310 3.110 626 HB3 LEU 94 HB3 LEU 94 6.023 -13.067 3.086 627 HG LEU 94 HG LEU 94 6.159 -11.634 4.998 628 HD11 LEU 94 HD11 LEU 94 6.339 -14.556 5.772 629 HD12 LEU 94 HD12 LEU 94 5.792 -13.258 6.859 630 HD13 LEU 94 HD13 LEU 94 4.876 -13.622 5.377 631 HD21 LEU 94 HD21 LEU 94 8.286 -13.079 6.437 632 HD22 LEU 94 HD22 LEU 94 8.837 -12.146 5.025 633 HD23 LEU 94 HD23 LEU 94 7.939 -11.336 6.331 634 H GLY 95 H GLY 95 10.068 -13.525 3.423 635 HA2 GLY 95 HA2 GLY 95 11.478 -13.277 5.330 636 HA3 GLY 95 HA3 GLY 95 10.714 -14.672 6.065 637 H ALA 96 H ALA 96 12.391 -16.135 6.279 638 HA ALA 96 HA ALA 96 14.009 -17.538 5.722 639 HB1 ALA 96 HB1 ALA 96 13.835 -18.384 3.236 640 HB2 ALA 96 HB2 ALA 96 12.526 -18.747 4.387 641 HB3 ALA 96 HB3 ALA 96 12.338 -17.421 3.214 642 H TRP 97 H TRP 97 15.046 -15.114 6.007 643 HA TRP 97 HA TRP 97 16.559 -13.621 5.329 644 HB2 TRP 97 HB2 TRP 97 17.583 -16.280 4.991 645 HB3 TRP 97 HB3 TRP 97 18.293 -15.235 3.777 646 HD1 TRP 97 HD1 TRP 97 18.835 -12.582 5.337 647 HE1 TRP 97 HE1 TRP 97 20.522 -12.370 7.355 648 HE3 TRP 97 HE3 TRP 97 18.804 -17.516 6.566 649 HZ2 TRP 97 HZ2 TRP 97 21.629 -14.247 9.197 650 HZ3 TRP 97 HZ3 TRP 97 20.216 -18.243 8.487 651 HH2 TRP 97 HH2 TRP 97 21.595 -16.699 9.785 652 H LEU 98 H LEU 98 14.492 -13.007 3.868 653 HA LEU 98 HA LEU 98 13.873 -12.008 1.995 654 HB2 LEU 98 HB2 LEU 98 16.759 -12.130 1.729 655 HB3 LEU 98 HB3 LEU 98 15.972 -12.221 0.166 656 HG LEU 98 HG LEU 98 14.614 -10.148 1.395 657 HD11 LEU 98 HD11 LEU 98 16.429 -8.639 2.224 658 HD12 LEU 98 HD12 LEU 98 16.078 -10.027 3.282 659 HD13 LEU 98 HD13 LEU 98 17.520 -10.046 2.238 660 HD21 LEU 98 HD21 LEU 98 15.705 -10.482 -0.954 661 HD22 LEU 98 HD22 LEU 98 15.459 -8.842 -0.307 662 HD23 LEU 98 HD23 LEU 98 17.070 -9.594 -0.237 663 H GLY 99 H GLY 99 16.065 -14.696 0.894 664 HA2 GLY 99 HA2 GLY 99 15.033 -16.798 0.272 665 HA3 GLY 99 HA3 GLY 99 13.699 -15.894 -0.418 666 H SER 100 H SER 100 17.271 -16.404 -0.692 667 HA SER 100 HA SER 100 18.621 -16.394 -2.390 668 HB2 SER 100 HB2 SER 100 17.963 -17.706 -4.127 669 HB3 SER 100 HB3 SER 100 16.432 -17.813 -3.281 670 HG SER 100 HG SER 100 16.621 -17.007 -5.692 671 HA PRO 101 HA PRO 101 18.616 -12.401 -4.117 672 HB2 PRO 101 HB2 PRO 101 20.420 -12.608 -6.159 673 HB3 PRO 101 HB3 PRO 101 20.889 -12.444 -4.478 674 HG2 PRO 101 HG2 PRO 101 20.952 -14.851 -6.194 675 HG3 PRO 101 HG3 PRO 101 21.792 -14.557 -4.684 676 HD2 PRO 101 HD2 PRO 101 19.451 -16.172 -5.060 677 HD3 PRO 101 HD3 PRO 101 20.223 -15.784 -3.536 678 HA PRO 102 HA PRO 102 15.619 -12.667 -7.203 679 HB2 PRO 102 HB2 PRO 102 14.421 -10.255 -6.742 680 HB3 PRO 102 HB3 PRO 102 13.969 -11.725 -5.903 681 HG2 PRO 102 HG2 PRO 102 15.540 -9.430 -4.903 682 HG3 PRO 102 HG3 PRO 102 14.726 -10.684 -3.989 683 HD2 PRO 102 HD2 PRO 102 17.543 -10.482 -4.494 684 HD3 PRO 102 HD3 PRO 102 16.715 -11.795 -3.681 685 H SER 103 H SER 103 16.480 -12.670 -9.190 686 HA SER 103 HA SER 103 17.525 -10.061 -9.973 687 HB2 SER 103 HB2 SER 103 18.404 -12.872 -10.715 688 HB3 SER 103 HB3 SER 103 18.829 -11.499 -11.717 689 HG SER 103 HG SER 103 19.479 -11.853 -8.916 690 H SER 104 H SER 104 16.969 -9.287 -12.109 691 HA SER 104 HA SER 104 15.650 -8.958 -13.800 692 HB2 SER 104 HB2 SER 104 16.639 -10.947 -14.781 693 HB3 SER 104 HB3 SER 104 15.593 -12.002 -13.853 694 HG SER 104 HG SER 104 14.779 -11.814 -15.991 Start of MODEL 19 1 H MET 1 H1 MET 1 -15.213 -19.731 4.593 2 HA MET 1 HA MET 1 -13.314 -20.543 5.491 3 HB2 MET 1 HB2 MET 1 -14.957 -22.332 4.260 4 HB3 MET 1 HB3 MET 1 -13.504 -22.663 3.338 5 HG2 MET 1 HG2 MET 1 -13.573 -22.658 6.392 6 HG3 MET 1 HG3 MET 1 -13.815 -24.103 5.431 7 HE1 MET 1 HE1 MET 1 -12.159 -25.367 4.222 8 HE2 MET 1 HE2 MET 1 -10.452 -25.349 4.724 9 HE3 MET 1 HE3 MET 1 -11.733 -25.603 5.933 10 H GLY 2 H GLY 2 -11.513 -19.199 5.084 11 HA2 GLY 2 HA2 GLY 2 -9.720 -20.195 2.980 12 HA3 GLY 2 HA3 GLY 2 -10.129 -18.491 3.008 13 H LYS 3 H LYS 3 -7.457 -19.478 3.337 14 HA LYS 3 HA LYS 3 -7.001 -18.946 6.188 15 HB2 LYS 3 HB2 LYS 3 -6.202 -21.128 4.737 16 HB3 LYS 3 HB3 LYS 3 -4.797 -20.092 4.591 17 HG2 LYS 3 HG2 LYS 3 -4.220 -20.945 6.634 18 HG3 LYS 3 HG3 LYS 3 -5.360 -19.772 7.264 19 HD2 LYS 3 HD2 LYS 3 -6.952 -21.990 6.482 20 HD3 LYS 3 HD3 LYS 3 -5.540 -22.695 7.244 21 HE2 LYS 3 HE2 LYS 3 -5.947 -20.885 9.126 22 HE3 LYS 3 HE3 LYS 3 -7.553 -20.760 8.436 23 HZ1 LYS 3 HZ1 LYS 3 -6.518 -23.442 9.043 24 HZ2 LYS 3 HZ2 LYS 3 -7.052 -22.528 10.281 25 HZ3 LYS 3 HZ3 LYS 3 -8.050 -22.866 9.029 26 H GLU 4 H GLU 4 -5.227 -18.571 3.035 27 HA GLU 4 HA GLU 4 -5.240 -15.809 3.141 28 HB2 GLU 4 HB2 GLU 4 -3.796 -16.015 5.111 29 HB3 GLU 4 HB3 GLU 4 -2.712 -17.097 4.258 30 HG2 GLU 4 HG2 GLU 4 -3.020 -14.704 2.665 31 HG3 GLU 4 HG3 GLU 4 -2.674 -14.217 4.312 32 H SER 5 H SER 5 -5.216 -15.442 0.969 33 HA SER 5 HA SER 5 -3.087 -16.691 -0.536 34 HB2 SER 5 HB2 SER 5 -4.854 -18.237 -0.990 35 HB3 SER 5 HB3 SER 5 -6.052 -16.966 -1.124 36 HG SER 5 HG SER 5 -3.960 -16.648 -2.943 37 H GLY 6 H GLY 6 -6.085 -14.651 -0.938 38 HA2 GLY 6 HA2 GLY 6 -5.654 -12.232 -1.169 39 HA3 GLY 6 HA3 GLY 6 -4.393 -12.647 -2.313 40 H TRP 7 H TRP 7 -7.931 -13.207 -1.702 41 HA TRP 7 HA TRP 7 -8.454 -12.526 -4.465 42 HB2 TRP 7 HB2 TRP 7 -7.961 -14.999 -4.408 43 HB3 TRP 7 HB3 TRP 7 -9.375 -15.194 -3.392 44 HD1 TRP 7 HD1 TRP 7 -9.360 -12.804 -6.446 45 HE1 TRP 7 HE1 TRP 7 -11.097 -13.594 -8.269 46 HE3 TRP 7 HE3 TRP 7 -10.572 -17.178 -4.153 47 HZ2 TRP 7 HZ2 TRP 7 -12.745 -15.907 -8.542 48 HZ3 TRP 7 HZ3 TRP 7 -12.254 -18.645 -5.265 49 HH2 TRP 7 HH2 TRP 7 -13.328 -18.070 -7.384 50 H ASP 8 H ASP 8 -10.034 -14.173 -1.622 51 HA ASP 8 HA ASP 8 -11.810 -11.874 -1.497 52 HB2 ASP 8 HB2 ASP 8 -13.664 -13.530 -0.894 53 HB3 ASP 8 HB3 ASP 8 -13.158 -13.541 -2.572 54 H SER 9 H SER 9 -11.094 -11.023 0.491 55 HA SER 9 HA SER 9 -11.024 -12.928 2.698 56 HB2 SER 9 HB2 SER 9 -9.252 -11.435 3.725 57 HB3 SER 9 HB3 SER 9 -8.736 -12.296 2.289 58 HG SER 9 HG SER 9 -9.880 -9.780 1.767 59 H GLY 10 H GLY 10 -12.155 -12.308 4.567 60 HA2 GLY 10 HA2 GLY 10 -13.630 -9.763 4.353 61 HA3 GLY 10 HA3 GLY 10 -14.150 -11.194 5.222 62 H ARG 11 H ARG 11 -13.258 -11.699 7.304 63 HA ARG 11 HA ARG 11 -12.490 -9.418 8.727 64 HB2 ARG 11 HB2 ARG 11 -13.660 -11.790 9.404 65 HB3 ARG 11 HB3 ARG 11 -12.019 -12.145 9.907 66 HG2 ARG 11 HG2 ARG 11 -11.995 -10.053 11.288 67 HG3 ARG 11 HG3 ARG 11 -13.639 -9.709 10.791 68 HD2 ARG 11 HD2 ARG 11 -14.351 -11.935 11.790 69 HD3 ARG 11 HD3 ARG 11 -12.716 -12.149 12.384 70 HE ARG 11 HE ARG 11 -13.872 -9.580 13.169 71 HH11 ARG 11 HH22 ARG 11 -13.636 -13.008 14.033 72 HH12 ARG 11 HH21 ARG 11 -13.984 -12.738 15.708 73 HH21 ARG 11 HH12 ARG 11 -14.324 -9.243 15.346 74 HH22 ARG 11 HH11 ARG 11 -14.378 -10.575 16.454 75 H ALA 12 H ALA 12 -10.782 -12.582 8.110 76 HA ALA 12 HA ALA 12 -8.386 -12.090 9.210 77 HB1 ALA 12 HB1 ALA 12 -7.482 -13.491 7.248 78 HB2 ALA 12 HB2 ALA 12 -8.806 -14.200 8.203 79 HB3 ALA 12 HB3 ALA 12 -9.146 -13.468 6.617 80 H ALA 13 H ALA 13 -9.679 -10.724 6.156 81 HA ALA 13 HA ALA 13 -7.487 -9.706 4.977 82 HB1 ALA 13 HB1 ALA 13 -10.271 -9.306 4.894 83 HB2 ALA 13 HB2 ALA 13 -9.580 -7.683 5.128 84 HB3 ALA 13 HB3 ALA 13 -9.065 -8.678 3.745 85 H VAL 14 H VAL 14 -9.369 -8.022 7.598 86 HA VAL 14 HA VAL 14 -7.804 -5.835 7.902 87 HB VAL 14 HB VAL 14 -9.151 -7.507 10.031 88 HG11 VAL 14 HG11 VAL 14 -7.411 -5.355 10.409 89 HG12 VAL 14 HG12 VAL 14 -9.037 -4.639 10.527 90 HG13 VAL 14 HG13 VAL 14 -8.585 -5.999 11.582 91 HG21 VAL 14 HG21 VAL 14 -10.747 -5.326 9.593 92 HG22 VAL 14 HG22 VAL 14 -10.127 -5.650 7.956 93 HG23 VAL 14 HG23 VAL 14 -10.983 -6.927 8.852 94 H ALA 15 H ALA 15 -7.276 -9.119 9.328 95 HA ALA 15 HA ALA 15 -5.064 -8.512 10.854 96 HB1 ALA 15 HB1 ALA 15 -4.797 -11.112 9.620 97 HB2 ALA 15 HB2 ALA 15 -5.288 -10.705 11.282 98 HB3 ALA 15 HB3 ALA 15 -6.510 -10.802 9.992 99 H ALA 16 H ALA 16 -5.299 -9.432 7.361 100 HA ALA 16 HA ALA 16 -2.539 -9.473 6.905 101 HB1 ALA 16 HB1 ALA 16 -3.675 -8.783 4.491 102 HB2 ALA 16 HB2 ALA 16 -3.564 -10.441 5.129 103 HB3 ALA 16 HB3 ALA 16 -5.056 -9.498 5.356 104 H VAL 17 H VAL 17 -4.912 -6.860 7.212 105 HA VAL 17 HA VAL 17 -3.182 -4.919 5.986 106 HB VAL 17 HB VAL 17 -5.779 -4.732 7.522 107 HG11 VAL 17 HG11 VAL 17 -4.104 -2.588 6.197 108 HG12 VAL 17 HG12 VAL 17 -5.851 -2.398 6.475 109 HG13 VAL 17 HG13 VAL 17 -4.751 -2.630 7.855 110 HG21 VAL 17 HG21 VAL 17 -5.094 -4.682 4.570 111 HG22 VAL 17 HG22 VAL 17 -6.147 -5.825 5.439 112 HG23 VAL 17 HG23 VAL 17 -6.659 -4.134 5.218 113 H VAL 18 H VAL 18 -3.608 -6.415 9.112 114 HA VAL 18 HA VAL 18 -2.606 -4.239 10.643 115 HB VAL 18 HB VAL 18 -2.897 -7.197 11.190 116 HG11 VAL 18 HG11 VAL 18 -2.889 -5.974 13.645 117 HG12 VAL 18 HG12 VAL 18 -1.497 -6.807 12.911 118 HG13 VAL 18 HG13 VAL 18 -1.653 -5.040 12.768 119 HG21 VAL 18 HG21 VAL 18 -4.878 -5.359 10.838 120 HG22 VAL 18 HG22 VAL 18 -5.012 -6.796 11.880 121 HG23 VAL 18 HG23 VAL 18 -4.594 -5.218 12.589 122 H GLY 19 H GLY 19 -1.192 -7.381 9.484 123 HA2 GLY 19 HA2 GLY 19 1.343 -7.177 10.432 124 HA3 GLY 19 HA3 GLY 19 0.924 -7.877 8.881 125 H GLY 20 H GLY 20 2.492 -5.254 10.518 126 HA2 GLY 20 HA2 GLY 20 4.152 -4.062 9.253 127 HA3 GLY 20 HA3 GLY 20 3.028 -3.968 7.911 128 H VAL 21 H VAL 21 2.402 -3.428 11.438 129 HA VAL 21 HA VAL 21 0.785 -1.231 11.055 130 HB VAL 21 HB VAL 21 2.517 -2.041 13.396 131 HG11 VAL 21 HG11 VAL 21 1.370 -0.540 14.781 132 HG12 VAL 21 HG12 VAL 21 1.698 0.411 13.313 133 HG13 VAL 21 HG13 VAL 21 0.078 -0.273 13.586 134 HG21 VAL 21 HG21 VAL 21 0.852 -3.436 14.066 135 HG22 VAL 21 HG22 VAL 21 -0.436 -2.398 13.409 136 HG23 VAL 21 HG23 VAL 21 0.490 -3.461 12.323 137 H VAL 22 H VAL 22 4.183 -1.122 12.352 138 HA VAL 22 HA VAL 22 4.537 1.567 12.152 139 HB VAL 22 HB VAL 22 6.459 -0.733 11.799 140 HG11 VAL 22 HG11 VAL 22 6.911 2.159 11.474 141 HG12 VAL 22 HG12 VAL 22 8.000 1.380 12.647 142 HG13 VAL 22 HG13 VAL 22 7.913 0.775 10.975 143 HG21 VAL 22 HG21 VAL 22 5.284 0.720 14.083 144 HG22 VAL 22 HG22 VAL 22 5.980 -0.916 13.994 145 HG23 VAL 22 HG23 VAL 22 7.047 0.497 14.174 146 H ALA 23 H ALA 23 4.915 -0.940 9.589 147 HA ALA 23 HA ALA 23 6.045 0.618 7.632 148 HB1 ALA 23 HB1 ALA 23 3.890 -1.304 6.856 149 HB2 ALA 23 HB2 ALA 23 5.563 -1.163 6.265 150 HB3 ALA 23 HB3 ALA 23 5.235 -1.944 7.830 151 H VAL 24 H VAL 24 2.562 0.236 8.537 152 HA VAL 24 HA VAL 24 1.660 1.977 6.494 153 HB VAL 24 HB VAL 24 0.549 0.140 8.186 154 HG11 VAL 24 HG11 VAL 24 -0.989 1.180 9.674 155 HG12 VAL 24 HG12 VAL 24 0.598 1.917 9.999 156 HG13 VAL 24 HG13 VAL 24 -0.616 2.802 9.043 157 HG21 VAL 24 HG21 VAL 24 -0.192 1.022 5.907 158 HG22 VAL 24 HG22 VAL 24 -1.481 0.557 7.043 159 HG23 VAL 24 HG23 VAL 24 -1.087 2.276 6.799 160 H GLY 25 H GLY 25 3.021 2.384 9.722 161 HA2 GLY 25 HA2 GLY 25 1.966 4.949 10.286 162 HA3 GLY 25 HA3 GLY 25 3.380 4.201 11.001 163 H THR 26 H THR 26 5.231 3.891 9.062 164 HA THR 26 HA THR 26 6.142 6.506 8.604 165 HB THR 26 HB THR 26 6.931 3.730 7.600 166 HG1 THR 26 HG1 THR 26 8.535 4.151 9.253 167 HG21 THR 26 HG21 THR 26 9.195 5.068 7.240 168 HG22 THR 26 HG22 THR 26 7.981 5.059 5.939 169 HG23 THR 26 HG23 THR 26 8.116 6.466 7.020 170 H VAL 27 H VAL 27 4.595 4.093 6.403 171 HA VAL 27 HA VAL 27 4.818 5.572 4.085 172 HB VAL 27 HB VAL 27 2.668 3.662 5.016 173 HG11 VAL 27 HG11 VAL 27 1.634 3.795 3.027 174 HG12 VAL 27 HG12 VAL 27 2.500 5.337 2.827 175 HG13 VAL 27 HG13 VAL 27 3.170 3.843 2.129 176 HG21 VAL 27 HG21 VAL 27 5.308 3.122 4.671 177 HG22 VAL 27 HG22 VAL 27 4.003 1.942 4.398 178 HG23 VAL 27 HG23 VAL 27 4.699 2.834 3.023 179 H LEU 28 H LEU 28 2.202 5.579 6.594 180 HA LEU 28 HA LEU 28 0.594 7.455 5.313 181 HB2 LEU 28 HB2 LEU 28 -0.130 5.982 7.121 182 HB3 LEU 28 HB3 LEU 28 0.908 6.829 8.252 183 HG LEU 28 HG LEU 28 -0.470 8.939 7.590 184 HD11 LEU 28 HD11 LEU 28 -1.757 6.971 5.980 185 HD12 LEU 28 HD12 LEU 28 -2.909 7.513 7.224 186 HD13 LEU 28 HD13 LEU 28 -2.136 8.702 6.149 187 HD21 LEU 28 HD21 LEU 28 -1.254 6.690 9.406 188 HD22 LEU 28 HD22 LEU 28 -0.673 8.327 9.794 189 HD23 LEU 28 HD23 LEU 28 -2.342 8.086 9.224 190 H VAL 29 H VAL 29 2.984 7.935 8.014 191 HA VAL 29 HA VAL 29 2.844 10.610 8.269 192 HB VAL 29 HB VAL 29 5.192 8.724 8.343 193 HG11 VAL 29 HG11 VAL 29 6.492 10.462 9.475 194 HG12 VAL 29 HG12 VAL 29 6.049 10.976 7.830 195 HG13 VAL 29 HG13 VAL 29 5.169 11.629 9.233 196 HG21 VAL 29 HG21 VAL 29 4.161 8.153 10.252 197 HG22 VAL 29 HG22 VAL 29 4.718 9.721 10.883 198 HG23 VAL 29 HG23 VAL 29 3.083 9.568 10.196 199 H ALA 30 H ALA 30 4.371 8.755 5.613 200 HA ALA 30 HA ALA 30 5.615 11.020 4.444 201 HB1 ALA 30 HB1 ALA 30 5.164 8.144 3.823 202 HB2 ALA 30 HB2 ALA 30 5.401 9.214 2.420 203 HB3 ALA 30 HB3 ALA 30 6.643 9.126 3.692 204 H LEU 31 H LEU 31 2.625 9.106 3.663 205 HA LEU 31 HA LEU 31 1.771 10.548 1.519 206 HB2 LEU 31 HB2 LEU 31 0.838 8.464 2.900 207 HB3 LEU 31 HB3 LEU 31 -0.253 9.686 3.520 208 HG LEU 31 HG LEU 31 -0.384 10.152 0.813 209 HD11 LEU 31 HD11 LEU 31 0.359 8.411 -0.344 210 HD12 LEU 31 HD12 LEU 31 0.696 7.498 1.147 211 HD13 LEU 31 HD13 LEU 31 -0.919 7.422 0.403 212 HD21 LEU 31 HD21 LEU 31 -2.586 9.075 0.927 213 HD22 LEU 31 HD22 LEU 31 -2.135 8.318 2.474 214 HD23 LEU 31 HD23 LEU 31 -2.268 10.089 2.355 215 H SER 32 H SER 32 0.831 11.157 4.980 216 HA SER 32 HA SER 32 -0.433 13.559 4.338 217 HB2 SER 32 HB2 SER 32 -0.865 12.180 6.393 218 HB3 SER 32 HB3 SER 32 0.705 12.645 7.017 219 HG SER 32 HG SER 32 -1.469 13.929 7.519 220 H ALA 33 H ALA 33 2.502 13.137 6.451 221 HA ALA 33 HA ALA 33 3.395 15.770 5.606 222 HB1 ALA 33 HB1 ALA 33 3.564 14.126 7.980 223 HB2 ALA 33 HB2 ALA 33 5.200 14.582 7.447 224 HB3 ALA 33 HB3 ALA 33 3.986 15.843 7.771 225 H MET 34 H MET 34 4.151 15.488 3.482 226 HA MET 34 HA MET 34 5.910 13.309 2.938 227 HB2 MET 34 HB2 MET 34 4.178 14.539 1.362 228 HB3 MET 34 HB3 MET 34 5.427 15.754 1.172 229 HG2 MET 34 HG2 MET 34 6.855 14.317 -0.004 230 HG3 MET 34 HG3 MET 34 6.238 12.878 0.783 231 HE1 MET 34 HE1 MET 34 5.508 13.347 -3.309 232 HE2 MET 34 HE2 MET 34 6.359 14.673 -2.482 233 HE3 MET 34 HE3 MET 34 6.843 12.986 -2.189 234 H GLY 35 H GLY 35 7.096 14.600 5.020 235 HA2 GLY 35 HA2 GLY 35 9.309 15.135 5.418 236 HA3 GLY 35 HA3 GLY 35 9.492 15.700 3.769 237 H PHE 36 H PHE 36 7.150 16.519 6.433 238 HA PHE 36 HA PHE 36 8.257 19.010 6.984 239 HB2 PHE 36 HB2 PHE 36 6.551 18.751 4.586 240 HB3 PHE 36 HB3 PHE 36 5.800 19.832 5.743 241 HD1 PHE 36 HD1 PHE 36 7.508 21.618 6.786 242 HD2 PHE 36 HD2 PHE 36 7.978 19.682 3.039 243 HE1 PHE 36 HE1 PHE 36 8.998 23.483 6.009 244 HE2 PHE 36 HE2 PHE 36 9.468 21.547 2.262 245 HZ PHE 36 HZ PHE 36 9.960 23.425 3.756 246 H THR 37 H THR 37 6.108 20.526 7.781 247 HA THR 37 HA THR 37 5.208 19.135 10.048 248 HB THR 37 HB THR 37 5.557 21.668 9.670 249 HG1 THR 37 HG1 THR 37 4.336 21.549 11.508 250 HG21 THR 37 HG21 THR 37 3.497 21.237 7.722 251 HG22 THR 37 HG22 THR 37 2.743 22.113 9.076 252 HG23 THR 37 HG23 THR 37 4.166 22.798 8.255 253 H SER 38 H SER 38 2.395 20.204 9.926 254 HA SER 38 HA SER 38 0.836 19.345 8.013 255 HB2 SER 38 HB2 SER 38 1.410 17.152 7.672 256 HB3 SER 38 HB3 SER 38 2.115 16.976 9.266 257 HG SER 38 HG SER 38 0.205 16.344 10.107 258 H VAL 39 H VAL 39 1.637 19.391 11.433 259 HA VAL 39 HA VAL 39 -0.819 18.842 12.573 260 HB VAL 39 HB VAL 39 1.467 20.640 13.371 261 HG11 VAL 39 HG11 VAL 39 0.293 20.230 15.730 262 HG12 VAL 39 HG12 VAL 39 -0.122 21.620 14.698 263 HG13 VAL 39 HG13 VAL 39 -1.165 20.178 14.710 264 HG21 VAL 39 HG21 VAL 39 1.340 17.915 13.244 265 HG22 VAL 39 HG22 VAL 39 2.388 18.829 14.355 266 HG23 VAL 39 HG23 VAL 39 0.819 18.207 14.920 267 H GLY 40 H GLY 40 0.532 22.192 12.194 268 HA2 GLY 40 HA2 GLY 40 -1.594 23.711 12.641 269 HA3 GLY 40 HA3 GLY 40 -0.474 24.050 11.337 270 H ILE 41 H ILE 41 -0.897 22.692 9.221 271 HA ILE 41 HA ILE 41 -3.210 23.449 8.089 272 HB ILE 41 HB ILE 41 -2.840 21.646 6.447 273 HG12 ILE 41 HG12 ILE 41 -0.652 20.729 8.337 274 HG13 ILE 41 HG13 ILE 41 -2.158 19.882 8.042 275 HG21 ILE 41 HG21 ILE 41 -1.555 23.848 6.546 276 HG22 ILE 41 HG22 ILE 41 -0.200 22.898 7.202 277 HG23 ILE 41 HG23 ILE 41 -0.843 22.531 5.583 278 HD11 ILE 41 HD11 ILE 41 -1.447 20.035 5.496 279 HD12 ILE 41 HD12 ILE 41 0.178 20.304 6.169 280 HD13 ILE 41 HD13 ILE 41 -0.704 18.805 6.547 281 H ALA 42 H ALA 42 -2.633 20.353 9.868 282 HA ALA 42 HA ALA 42 -5.062 19.168 9.430 283 HB1 ALA 42 HB1 ALA 42 -4.135 17.659 10.815 284 HB2 ALA 42 HB2 ALA 42 -2.789 18.796 11.064 285 HB3 ALA 42 HB3 ALA 42 -4.180 18.806 12.175 286 H ALA 43 H ALA 43 -4.141 21.480 12.076 287 HA ALA 43 HA ALA 43 -6.637 21.548 13.287 288 HB1 ALA 43 HB1 ALA 43 -4.271 23.424 13.131 289 HB2 ALA 43 HB2 ALA 43 -5.745 23.891 14.014 290 HB3 ALA 43 HB3 ALA 43 -4.837 22.440 14.503 291 H SER 44 H SER 44 -5.367 23.112 10.356 292 HA SER 44 HA SER 44 -7.408 25.035 10.205 293 HB2 SER 44 HB2 SER 44 -5.122 24.136 8.587 294 HB3 SER 44 HB3 SER 44 -6.491 24.576 7.586 295 HG SER 44 HG SER 44 -6.467 26.665 8.377 296 H SER 45 H SER 45 -6.925 21.704 8.933 297 HA SER 45 HA SER 45 -9.188 21.771 7.278 298 HB2 SER 45 HB2 SER 45 -7.081 19.916 7.973 299 HB3 SER 45 HB3 SER 45 -8.615 19.076 8.088 300 HG SER 45 HG SER 45 -7.775 18.944 5.936 301 H ILE 46 H ILE 46 -8.538 20.064 10.435 302 HA ILE 46 HA ILE 46 -11.096 19.164 10.866 303 HB ILE 46 HB ILE 46 -8.979 18.584 12.084 304 HG12 ILE 46 HG12 ILE 46 -10.401 18.644 14.404 305 HG13 ILE 46 HG13 ILE 46 -11.685 18.922 13.244 306 HG21 ILE 46 HG21 ILE 46 -8.423 21.025 12.564 307 HG22 ILE 46 HG22 ILE 46 -9.624 20.928 13.875 308 HG23 ILE 46 HG23 ILE 46 -8.196 19.865 13.895 309 HD11 ILE 46 HD11 ILE 46 -10.368 16.448 13.867 310 HD12 ILE 46 HD12 ILE 46 -11.680 16.729 12.696 311 HD13 ILE 46 HD13 ILE 46 -9.982 16.856 12.178 312 H ALA 47 H ALA 47 -9.638 22.380 11.528 313 HA ALA 47 HA ALA 47 -11.809 23.379 12.997 314 HB1 ALA 47 HB1 ALA 47 -9.659 24.446 13.119 315 HB2 ALA 47 HB2 ALA 47 -9.606 24.679 11.355 316 HB3 ALA 47 HB3 ALA 47 -10.766 25.602 12.340 317 H ALA 48 H ALA 48 -10.880 23.755 9.501 318 HA ALA 48 HA ALA 48 -13.019 25.258 8.700 319 HB1 ALA 48 HB1 ALA 48 -12.426 24.595 6.503 320 HB2 ALA 48 HB2 ALA 48 -10.914 24.462 7.432 321 HB3 ALA 48 HB3 ALA 48 -11.852 23.000 7.047 322 H LYS 49 H LYS 49 -12.763 21.628 8.577 323 HA LYS 49 HA LYS 49 -14.305 20.056 8.766 324 HB2 LYS 49 HB2 LYS 49 -15.001 21.305 10.798 325 HB3 LYS 49 HB3 LYS 49 -16.145 22.217 9.834 326 HG2 LYS 49 HG2 LYS 49 -17.621 20.461 9.673 327 HG3 LYS 49 HG3 LYS 49 -16.349 19.273 9.470 328 HD2 LYS 49 HD2 LYS 49 -15.984 20.140 12.112 329 HD3 LYS 49 HD3 LYS 49 -17.727 20.142 11.936 330 HE2 LYS 49 HE2 LYS 49 -17.069 17.742 10.717 331 HE3 LYS 49 HE3 LYS 49 -15.830 17.846 11.952 332 HZ1 LYS 49 HZ1 LYS 49 -18.744 18.111 12.476 333 HZ2 LYS 49 HZ2 LYS 49 -17.860 16.780 12.791 334 HZ3 LYS 49 HZ3 LYS 49 -17.536 18.178 13.578 335 H MET 50 H MET 50 -15.661 19.037 7.298 336 HA MET 50 HA MET 50 -17.508 20.431 5.751 337 HB2 MET 50 HB2 MET 50 -14.813 20.685 4.849 338 HB3 MET 50 HB3 MET 50 -15.517 19.472 3.798 339 HG2 MET 50 HG2 MET 50 -17.395 21.684 4.180 340 HG3 MET 50 HG3 MET 50 -15.848 22.294 3.627 341 HE1 MET 50 HE1 MET 50 -19.050 20.196 1.411 342 HE2 MET 50 HE2 MET 50 -18.299 19.014 2.510 343 HE3 MET 50 HE3 MET 50 -18.917 20.556 3.149 344 H MET 51 H MET 51 -18.750 18.602 6.486 345 HA MET 51 HA MET 51 -17.900 16.071 5.321 346 HB2 MET 51 HB2 MET 51 -18.602 16.625 7.909 347 HB3 MET 51 HB3 MET 51 -20.196 16.267 7.275 348 HG2 MET 51 HG2 MET 51 -19.711 14.064 7.577 349 HG3 MET 51 HG3 MET 51 -18.608 14.199 6.222 350 HE1 MET 51 HE1 MET 51 -16.127 12.558 7.401 351 HE2 MET 51 HE2 MET 51 -16.673 13.694 6.145 352 HE3 MET 51 HE3 MET 51 -15.335 14.143 7.230 353 H SER 52 H SER 52 -18.881 15.533 3.424 354 HA SER 52 HA SER 52 -21.673 15.575 3.227 355 HB2 SER 52 HB2 SER 52 -21.260 18.003 2.832 356 HB3 SER 52 HB3 SER 52 -20.181 17.609 1.509 357 HG SER 52 HG SER 52 -22.445 16.284 0.983 358 H THR 53 H THR 53 -18.717 15.953 1.126 359 HA THR 53 HA THR 53 -18.764 13.260 0.293 360 HB THR 53 HB THR 53 -20.757 13.856 -0.976 361 HG1 THR 53 HG1 THR 53 -18.939 12.725 -2.082 362 HG21 THR 53 HG21 THR 53 -19.913 16.455 -0.954 363 HG22 THR 53 HG22 THR 53 -19.326 15.968 -2.562 364 HG23 THR 53 HG23 THR 53 -21.056 15.832 -2.168 365 H ALA 54 H ALA 54 -16.711 14.392 1.408 366 HA ALA 54 HA ALA 54 -14.581 14.942 1.170 367 HB1 ALA 54 HB1 ALA 54 -14.356 13.013 -0.213 368 HB2 ALA 54 HB2 ALA 54 -15.148 13.814 -1.591 369 HB3 ALA 54 HB3 ALA 54 -13.521 14.324 -1.080 370 H ALA 55 H ALA 55 -12.984 16.433 -0.114 371 HA ALA 55 HA ALA 55 -14.561 18.718 -1.083 372 HB1 ALA 55 HB1 ALA 55 -13.580 19.692 0.719 373 HB2 ALA 55 HB2 ALA 55 -12.338 18.424 0.852 374 HB3 ALA 55 HB3 ALA 55 -12.134 19.749 -0.318 375 H ILE 56 H ILE 56 -14.328 17.124 -3.101 376 HA ILE 56 HA ILE 56 -11.951 18.073 -4.531 377 HB ILE 56 HB ILE 56 -13.092 15.278 -4.550 378 HG12 ILE 56 HG12 ILE 56 -11.690 15.690 -2.617 379 HG13 ILE 56 HG13 ILE 56 -10.868 14.625 -3.741 380 HG21 ILE 56 HG21 ILE 56 -11.372 14.746 -6.202 381 HG22 ILE 56 HG22 ILE 56 -12.499 15.978 -6.817 382 HG23 ILE 56 HG23 ILE 56 -10.879 16.455 -6.254 383 HD11 ILE 56 HD11 ILE 56 -10.132 17.238 -4.555 384 HD12 ILE 56 HD12 ILE 56 -10.056 17.254 -2.777 385 HD13 ILE 56 HD13 ILE 56 -9.114 16.056 -3.697 386 H ALA 57 H ALA 57 -12.272 18.433 -6.811 387 HA ALA 57 HA ALA 57 -15.116 18.791 -7.442 388 HB1 ALA 57 HB1 ALA 57 -12.840 20.119 -8.911 389 HB2 ALA 57 HB2 ALA 57 -14.511 20.682 -8.670 390 HB3 ALA 57 HB3 ALA 57 -13.350 20.737 -7.322 391 H ASN 58 H ASN 58 -15.735 18.419 -9.752 392 HA ASN 58 HA ASN 58 -15.862 17.178 -11.524 393 HB2 ASN 58 HB2 ASN 58 -12.886 17.382 -11.171 394 HB3 ASN 58 HB3 ASN 58 -13.430 16.092 -12.225 395 HD21 ASN 58 HD21 ASN 58 -15.042 16.678 -13.897 396 HD22 ASN 58 HD22 ASN 58 -14.881 18.198 -14.713 397 H GLY 59 H GLY 59 -12.988 15.395 -10.241 398 HA2 GLY 59 HA2 GLY 59 -13.916 12.853 -10.504 399 HA3 GLY 59 HA3 GLY 59 -12.762 13.363 -9.289 400 H GLY 60 H GLY 60 -13.546 14.058 -7.146 401 HA2 GLY 60 HA2 GLY 60 -15.036 14.131 -5.424 402 HA3 GLY 60 HA3 GLY 60 -16.335 13.676 -6.509 403 H GLY 61 H GLY 61 -13.290 12.280 -5.090 404 HA2 GLY 61 HA2 GLY 61 -14.151 9.585 -5.386 405 HA3 GLY 61 HA3 GLY 61 -12.794 10.176 -4.446 406 H VAL 62 H VAL 62 -13.114 9.019 -2.531 407 HA VAL 62 HA VAL 62 -15.579 9.715 -1.096 408 HB VAL 62 HB VAL 62 -15.774 7.446 -1.900 409 HG11 VAL 62 HG11 VAL 62 -14.175 5.687 -1.218 410 HG12 VAL 62 HG12 VAL 62 -13.421 6.917 -2.260 411 HG13 VAL 62 HG13 VAL 62 -13.124 6.934 -0.505 412 HG21 VAL 62 HG21 VAL 62 -16.865 7.445 0.097 413 HG22 VAL 62 HG22 VAL 62 -15.574 6.297 0.524 414 HG23 VAL 62 HG23 VAL 62 -15.441 8.006 1.006 415 H ALA 63 H ALA 63 -12.142 8.599 -0.925 416 HA ALA 63 HA ALA 63 -12.000 9.606 1.803 417 HB1 ALA 63 HB1 ALA 63 -9.493 8.624 0.841 418 HB2 ALA 63 HB2 ALA 63 -10.596 7.867 2.015 419 HB3 ALA 63 HB3 ALA 63 -10.760 7.507 0.280 420 H ALA 64 H ALA 64 -10.227 9.952 -1.356 421 HA ALA 64 HA ALA 64 -9.992 12.787 -0.854 422 HB1 ALA 64 HB1 ALA 64 -8.048 12.079 0.348 423 HB2 ALA 64 HB2 ALA 64 -7.612 10.900 -0.912 424 HB3 ALA 64 HB3 ALA 64 -7.471 12.644 -1.239 425 H GLY 65 H GLY 65 -8.280 13.517 -2.860 426 HA2 GLY 65 HA2 GLY 65 -9.596 12.365 -5.241 427 HA3 GLY 65 HA3 GLY 65 -9.023 14.014 -5.082 428 H SER 66 H SER 66 -6.737 14.486 -5.186 429 HA SER 66 HA SER 66 -5.358 13.114 -7.041 430 HB2 SER 66 HB2 SER 66 -4.631 15.039 -4.870 431 HB3 SER 66 HB3 SER 66 -3.295 14.161 -5.587 432 HG SER 66 HG SER 66 -3.422 15.445 -7.284 433 H LEU 67 H LEU 67 -5.248 12.707 -3.448 434 HA LEU 67 HA LEU 67 -3.177 10.978 -3.191 435 HB2 LEU 67 HB2 LEU 67 -5.770 11.349 -1.762 436 HB3 LEU 67 HB3 LEU 67 -4.787 9.956 -1.355 437 HG LEU 67 HG LEU 67 -4.368 11.804 0.170 438 HD11 LEU 67 HD11 LEU 67 -2.178 11.343 0.362 439 HD12 LEU 67 HD12 LEU 67 -2.477 10.236 -1.000 440 HD13 LEU 67 HD13 LEU 67 -1.812 11.859 -1.302 441 HD21 LEU 67 HD21 LEU 67 -3.318 13.394 -2.182 442 HD22 LEU 67 HD22 LEU 67 -4.935 13.614 -1.471 443 HD23 LEU 67 HD23 LEU 67 -3.483 13.919 -0.489 444 H VAL 68 H VAL 68 -6.549 10.234 -4.240 445 HA VAL 68 HA VAL 68 -6.444 7.520 -4.288 446 HB VAL 68 HB VAL 68 -7.665 9.349 -6.365 447 HG11 VAL 68 HG11 VAL 68 -9.071 6.869 -5.631 448 HG12 VAL 68 HG12 VAL 68 -8.764 7.587 -7.230 449 HG13 VAL 68 HG13 VAL 68 -7.507 6.605 -6.440 450 HG21 VAL 68 HG21 VAL 68 -8.569 8.506 -3.610 451 HG22 VAL 68 HG22 VAL 68 -8.493 10.138 -4.318 452 HG23 VAL 68 HG23 VAL 68 -9.736 8.987 -4.864 453 H ALA 69 H ALA 69 -5.265 9.810 -6.841 454 HA ALA 69 HA ALA 69 -4.405 7.850 -8.616 455 HB1 ALA 69 HB1 ALA 69 -4.181 10.737 -8.226 456 HB2 ALA 69 HB2 ALA 69 -2.687 10.047 -8.905 457 HB3 ALA 69 HB3 ALA 69 -4.241 9.797 -9.736 458 H ILE 70 H ILE 70 -2.847 9.371 -5.756 459 HA ILE 70 HA ILE 70 -0.296 8.304 -6.216 460 HB ILE 70 HB ILE 70 -1.725 9.324 -3.772 461 HG12 ILE 70 HG12 ILE 70 0.635 10.546 -5.199 462 HG13 ILE 70 HG13 ILE 70 -1.003 10.816 -5.760 463 HG21 ILE 70 HG21 ILE 70 0.995 8.074 -4.004 464 HG22 ILE 70 HG22 ILE 70 0.714 9.402 -2.852 465 HG23 ILE 70 HG23 ILE 70 -0.235 7.901 -2.729 466 HD11 ILE 70 HD11 ILE 70 0.113 12.452 -3.977 467 HD12 ILE 70 HD12 ILE 70 -1.613 12.032 -3.861 468 HD13 ILE 70 HD13 ILE 70 -0.425 11.206 -2.824 469 H LEU 71 H LEU 71 -3.222 7.072 -4.530 470 HA LEU 71 HA LEU 71 -1.978 4.828 -3.407 471 HB2 LEU 71 HB2 LEU 71 -4.520 6.017 -3.450 472 HB3 LEU 71 HB3 LEU 71 -4.754 4.398 -4.078 473 HG LEU 71 HG LEU 71 -3.195 4.804 -1.539 474 HD11 LEU 71 HD11 LEU 71 -4.979 5.879 -0.679 475 HD12 LEU 71 HD12 LEU 71 -6.089 5.282 -1.936 476 HD13 LEU 71 HD13 LEU 71 -5.651 4.235 -0.564 477 HD21 LEU 71 HD21 LEU 71 -3.428 2.581 -1.231 478 HD22 LEU 71 HD22 LEU 71 -5.072 2.543 -1.913 479 HD23 LEU 71 HD23 LEU 71 -3.660 2.581 -2.996 480 H GLN 72 H GLN 72 -3.453 5.480 -6.611 481 HA GLN 72 HA GLN 72 -3.509 2.852 -7.463 482 HB2 GLN 72 HB2 GLN 72 -3.524 5.550 -8.780 483 HB3 GLN 72 HB3 GLN 72 -3.188 4.168 -9.805 484 HG2 GLN 72 HG2 GLN 72 -5.333 3.209 -8.368 485 HG3 GLN 72 HG3 GLN 72 -5.714 4.920 -8.400 486 HE21 GLN 72 HE21 GLN 72 -7.490 4.540 -9.720 487 HE22 GLN 72 HE22 GLN 72 -7.352 4.213 -11.415 488 H SER 73 H SER 73 -1.086 5.436 -8.324 489 HA SER 73 HA SER 73 0.662 3.720 -9.557 490 HB2 SER 73 HB2 SER 73 0.538 6.460 -8.967 491 HB3 SER 73 HB3 SER 73 1.992 5.936 -8.142 492 HG SER 73 HG SER 73 2.689 6.409 -10.196 493 H VAL 74 H VAL 74 1.177 5.270 -6.298 494 HA VAL 74 HA VAL 74 3.262 3.766 -5.465 495 HB VAL 74 HB VAL 74 0.911 4.766 -3.846 496 HG11 VAL 74 HG11 VAL 74 2.402 4.749 -1.924 497 HG12 VAL 74 HG12 VAL 74 2.297 3.114 -2.620 498 HG13 VAL 74 HG13 VAL 74 3.733 4.121 -2.926 499 HG21 VAL 74 HG21 VAL 74 2.494 6.702 -3.404 500 HG22 VAL 74 HG22 VAL 74 3.498 6.071 -4.731 501 HG23 VAL 74 HG23 VAL 74 1.829 6.601 -5.052 502 H GLY 75 H GLY 75 -0.171 3.035 -4.505 503 HA2 GLY 75 HA2 GLY 75 0.058 0.658 -3.336 504 HA3 GLY 75 HA3 GLY 75 -1.238 1.025 -4.456 505 H ALA 76 H ALA 76 0.177 1.187 -6.922 506 HA ALA 76 HA ALA 76 0.364 -1.543 -7.558 507 HB1 ALA 76 HB1 ALA 76 0.734 -0.774 -9.763 508 HB2 ALA 76 HB2 ALA 76 -0.259 0.502 -9.020 509 HB3 ALA 76 HB3 ALA 76 1.496 0.734 -9.205 510 H ALA 77 H ALA 77 2.907 1.063 -7.498 511 HA ALA 77 HA ALA 77 5.059 -0.595 -7.943 512 HB1 ALA 77 HB1 ALA 77 5.428 1.681 -6.056 513 HB2 ALA 77 HB2 ALA 77 6.274 1.306 -7.577 514 HB3 ALA 77 HB3 ALA 77 4.667 2.072 -7.617 515 H GLY 78 H GLY 78 4.165 0.787 -4.699 516 HA2 GLY 78 HA2 GLY 78 5.715 -0.629 -3.057 517 HA3 GLY 78 HA3 GLY 78 4.046 -0.250 -2.680 518 H LEU 79 H LEU 79 2.399 -1.819 -3.988 519 HA LEU 79 HA LEU 79 2.648 -4.307 -2.858 520 HB2 LEU 79 HB2 LEU 79 0.617 -3.115 -3.822 521 HB3 LEU 79 HB3 LEU 79 1.122 -3.718 -5.389 522 HG LEU 79 HG LEU 79 1.048 -5.885 -3.471 523 HD11 LEU 79 HD11 LEU 79 -1.624 -4.527 -3.860 524 HD12 LEU 79 HD12 LEU 79 -1.230 -5.930 -2.837 525 HD13 LEU 79 HD13 LEU 79 -0.626 -4.313 -2.402 526 HD21 LEU 79 HD21 LEU 79 0.036 -5.233 -6.181 527 HD22 LEU 79 HD22 LEU 79 0.884 -6.678 -5.579 528 HD23 LEU 79 HD23 LEU 79 -0.860 -6.479 -5.279 529 H SER 80 H SER 80 3.748 -3.110 -6.060 530 HA SER 80 HA SER 80 4.397 -5.610 -7.072 531 HB2 SER 80 HB2 SER 80 4.765 -2.806 -7.799 532 HB3 SER 80 HB3 SER 80 6.208 -3.724 -8.180 533 HG SER 80 HG SER 80 4.875 -5.232 -9.382 534 H VAL 81 H VAL 81 6.890 -3.082 -6.359 535 HA VAL 81 HA VAL 81 9.030 -4.660 -6.090 536 HB VAL 81 HB VAL 81 9.955 -2.942 -4.602 537 HG11 VAL 81 HG11 VAL 81 8.576 -2.387 -7.150 538 HG12 VAL 81 HG12 VAL 81 8.957 -0.940 -6.186 539 HG13 VAL 81 HG13 VAL 81 10.255 -2.064 -6.656 540 HG21 VAL 81 HG21 VAL 81 7.903 -2.622 -3.216 541 HG22 VAL 81 HG22 VAL 81 8.629 -1.097 -3.779 542 HG23 VAL 81 HG23 VAL 81 7.169 -1.735 -4.574 543 H THR 82 H THR 82 6.311 -4.376 -3.831 544 HA THR 82 HA THR 82 7.570 -5.535 -1.597 545 HB THR 82 HB THR 82 4.712 -5.144 -2.572 546 HG1 THR 82 HG1 THR 82 5.407 -3.297 -1.547 547 HG21 THR 82 HG21 THR 82 4.555 -5.668 0.158 548 HG22 THR 82 HG22 THR 82 4.058 -6.807 -1.117 549 HG23 THR 82 HG23 THR 82 5.682 -6.928 -0.398 550 H SER 83 H SER 83 4.925 -7.196 -3.386 551 HA SER 83 HA SER 83 5.598 -9.673 -2.589 552 HB2 SER 83 HB2 SER 83 4.245 -8.622 -5.081 553 HB3 SER 83 HB3 SER 83 4.537 -10.343 -4.931 554 HG SER 83 HG SER 83 3.289 -10.395 -3.004 555 H LYS 84 H LYS 84 6.776 -7.899 -5.519 556 HA LYS 84 HA LYS 84 8.218 -9.916 -6.688 557 HB2 LYS 84 HB2 LYS 84 7.965 -7.070 -6.912 558 HB3 LYS 84 HB3 LYS 84 9.668 -7.477 -6.975 559 HG2 LYS 84 HG2 LYS 84 9.259 -7.925 -9.182 560 HG3 LYS 84 HG3 LYS 84 8.641 -9.453 -8.587 561 HD2 LYS 84 HD2 LYS 84 6.419 -7.863 -8.255 562 HD3 LYS 84 HD3 LYS 84 7.154 -7.086 -9.643 563 HE2 LYS 84 HE2 LYS 84 6.645 -10.094 -9.480 564 HE3 LYS 84 HE3 LYS 84 5.515 -8.964 -10.200 565 HZ1 LYS 84 HZ1 LYS 84 6.813 -9.644 -11.997 566 HZ2 LYS 84 HZ2 LYS 84 7.561 -8.253 -11.599 567 HZ3 LYS 84 HZ3 LYS 84 8.183 -9.683 -11.102 568 H VAL 85 H VAL 85 9.280 -7.578 -4.130 569 HA VAL 85 HA VAL 85 11.867 -8.611 -3.914 570 HB VAL 85 HB VAL 85 10.049 -6.977 -2.173 571 HG11 VAL 85 HG11 VAL 85 11.148 -7.854 -0.384 572 HG12 VAL 85 HG12 VAL 85 12.545 -8.377 -1.354 573 HG13 VAL 85 HG13 VAL 85 12.385 -6.671 -0.871 574 HG21 VAL 85 HG21 VAL 85 11.446 -6.216 -4.292 575 HG22 VAL 85 HG22 VAL 85 11.299 -5.173 -2.858 576 HG23 VAL 85 HG23 VAL 85 12.771 -6.142 -3.106 577 H ILE 86 H ILE 86 8.722 -9.684 -2.687 578 HA ILE 86 HA ILE 86 9.834 -11.398 -0.696 579 HB ILE 86 HB ILE 86 7.110 -11.008 -1.903 580 HG12 ILE 86 HG12 ILE 86 8.035 -9.354 -0.264 581 HG13 ILE 86 HG13 ILE 86 6.529 -10.108 0.220 582 HG21 ILE 86 HG21 ILE 86 8.114 -13.389 -0.561 583 HG22 ILE 86 HG22 ILE 86 6.752 -12.646 0.311 584 HG23 ILE 86 HG23 ILE 86 6.569 -13.107 -1.399 585 HD11 ILE 86 HD11 ILE 86 9.029 -10.088 1.629 586 HD12 ILE 86 HD12 ILE 86 7.499 -10.850 2.123 587 HD13 ILE 86 HD13 ILE 86 8.685 -11.772 1.168 588 H GLY 87 H GLY 87 8.076 -12.079 -3.809 589 HA2 GLY 87 HA2 GLY 87 9.661 -13.574 -5.227 590 HA3 GLY 87 HA3 GLY 87 9.421 -14.687 -3.895 591 H GLY 88 H GLY 88 7.239 -12.381 -5.679 592 HA2 GLY 88 HA2 GLY 88 5.092 -12.684 -6.352 593 HA3 GLY 88 HA3 GLY 88 5.813 -14.001 -7.255 594 H PHE 89 H PHE 89 4.901 -13.375 -3.782 595 HA PHE 89 HA PHE 89 4.104 -14.807 -2.261 596 HB2 PHE 89 HB2 PHE 89 2.282 -14.336 -4.536 597 HB3 PHE 89 HB3 PHE 89 1.905 -15.870 -3.777 598 HD1 PHE 89 HD1 PHE 89 1.355 -15.906 -1.317 599 HD2 PHE 89 HD2 PHE 89 1.669 -12.292 -3.519 600 HE1 PHE 89 HE1 PHE 89 0.069 -14.704 0.472 601 HE2 PHE 89 HE2 PHE 89 0.384 -11.090 -1.729 602 HZ PHE 89 HZ PHE 89 -0.401 -12.311 0.245 603 H ALA 90 H ALA 90 5.825 -16.403 -2.232 604 HA ALA 90 HA ALA 90 4.881 -19.012 -2.752 605 HB1 ALA 90 HB1 ALA 90 5.670 -18.028 -5.066 606 HB2 ALA 90 HB2 ALA 90 7.300 -18.330 -4.419 607 HB3 ALA 90 HB3 ALA 90 6.149 -19.676 -4.593 608 H GLY 91 H GLY 91 6.880 -20.617 -2.376 609 HA2 GLY 91 HA2 GLY 91 8.314 -21.357 -0.806 610 HA3 GLY 91 HA3 GLY 91 9.203 -19.884 -1.137 611 H THR 92 H THR 92 9.806 -20.109 1.222 612 HA THR 92 HA THR 92 8.039 -20.006 3.314 613 HB THR 92 HB THR 92 10.796 -18.732 2.918 614 HG1 THR 92 HG1 THR 92 9.638 -21.200 4.004 615 HG21 THR 92 HG21 THR 92 9.002 -19.016 5.333 616 HG22 THR 92 HG22 THR 92 10.735 -19.369 5.537 617 HG23 THR 92 HG23 THR 92 10.214 -17.763 4.975 618 H ALA 93 H ALA 93 9.562 -17.118 1.722 619 HA ALA 93 HA ALA 93 8.861 -15.028 1.541 620 HB1 ALA 93 HB1 ALA 93 6.951 -16.078 0.378 621 HB2 ALA 93 HB2 ALA 93 6.096 -16.246 1.930 622 HB3 ALA 93 HB3 ALA 93 6.440 -14.628 1.274 623 H LEU 94 H LEU 94 8.232 -13.140 2.814 624 HA LEU 94 HA LEU 94 8.183 -12.002 4.705 625 HB2 LEU 94 HB2 LEU 94 5.916 -13.442 4.636 626 HB3 LEU 94 HB3 LEU 94 6.581 -14.042 6.142 627 HG LEU 94 HG LEU 94 6.866 -11.269 6.338 628 HD11 LEU 94 HD11 LEU 94 4.185 -10.904 5.983 629 HD12 LEU 94 HD12 LEU 94 5.448 -10.403 4.833 630 HD13 LEU 94 HD13 LEU 94 4.591 -11.945 4.597 631 HD21 LEU 94 HD21 LEU 94 5.701 -11.535 8.266 632 HD22 LEU 94 HD22 LEU 94 4.438 -12.532 7.504 633 HD23 LEU 94 HD23 LEU 94 6.013 -13.252 7.916 634 H GLY 95 H GLY 95 10.566 -12.715 4.664 635 HA2 GLY 95 HA2 GLY 95 11.126 -14.242 7.138 636 HA3 GLY 95 HA3 GLY 95 12.097 -14.366 5.684 637 H ALA 96 H ALA 96 13.851 -13.720 7.300 638 HA ALA 96 HA ALA 96 13.817 -11.058 8.300 639 HB1 ALA 96 HB1 ALA 96 15.194 -13.379 8.850 640 HB2 ALA 96 HB2 ALA 96 16.422 -12.423 7.986 641 HB3 ALA 96 HB3 ALA 96 15.645 -11.763 9.445 642 H TRP 97 H TRP 97 15.985 -12.663 5.855 643 HA TRP 97 HA TRP 97 15.615 -10.503 4.023 644 HB2 TRP 97 HB2 TRP 97 17.119 -9.381 5.551 645 HB3 TRP 97 HB3 TRP 97 18.243 -10.725 5.499 646 HD1 TRP 97 HD1 TRP 97 20.050 -10.656 3.566 647 HE1 TRP 97 HE1 TRP 97 20.635 -9.107 1.511 648 HE3 TRP 97 HE3 TRP 97 15.791 -7.886 3.771 649 HZ2 TRP 97 HZ2 TRP 97 19.281 -6.946 0.231 650 HZ3 TRP 97 HZ3 TRP 97 15.501 -6.076 2.082 651 HH2 TRP 97 HH2 TRP 97 17.160 -5.587 0.355 652 H LEU 98 H LEU 98 15.031 -12.189 2.583 653 HA LEU 98 HA LEU 98 17.305 -13.803 1.716 654 HB2 LEU 98 HB2 LEU 98 14.614 -14.807 2.590 655 HB3 LEU 98 HB3 LEU 98 15.536 -15.670 1.375 656 HG LEU 98 HG LEU 98 16.750 -14.976 4.048 657 HD11 LEU 98 HD11 LEU 98 15.937 -16.909 5.068 658 HD12 LEU 98 HD12 LEU 98 14.514 -16.238 4.234 659 HD13 LEU 98 HD13 LEU 98 15.394 -17.615 3.527 660 HD21 LEU 98 HD21 LEU 98 18.535 -15.891 3.094 661 HD22 LEU 98 HD22 LEU 98 17.672 -17.447 3.121 662 HD23 LEU 98 HD23 LEU 98 17.593 -16.411 1.676 663 H GLY 99 H GLY 99 17.578 -13.736 -0.465 664 HA2 GLY 99 HA2 GLY 99 15.781 -13.850 -2.457 665 HA3 GLY 99 HA3 GLY 99 15.693 -12.160 -2.001 666 H SER 100 H SER 100 17.284 -14.403 -3.976 667 HA SER 100 HA SER 100 19.892 -13.535 -3.915 668 HB2 SER 100 HB2 SER 100 20.176 -14.785 -5.876 669 HB3 SER 100 HB3 SER 100 18.753 -15.529 -5.176 670 HG SER 100 HG SER 100 18.850 -13.588 -7.318 671 HA PRO 101 HA PRO 101 19.750 -9.685 -5.938 672 HB2 PRO 101 HB2 PRO 101 22.219 -9.537 -7.102 673 HB3 PRO 101 HB3 PRO 101 21.940 -9.218 -5.401 674 HG2 PRO 101 HG2 PRO 101 23.154 -11.599 -6.666 675 HG3 PRO 101 HG3 PRO 101 23.249 -11.074 -4.997 676 HD2 PRO 101 HD2 PRO 101 21.621 -13.193 -6.039 677 HD3 PRO 101 HD3 PRO 101 21.631 -12.591 -4.393 678 HA PRO 102 HA PRO 102 18.505 -10.092 -9.973 679 HB2 PRO 102 HB2 PRO 102 18.450 -7.494 -10.820 680 HB3 PRO 102 HB3 PRO 102 17.171 -8.219 -9.867 681 HG2 PRO 102 HG2 PRO 102 19.263 -6.313 -9.015 682 HG3 PRO 102 HG3 PRO 102 17.753 -6.713 -8.220 683 HD2 PRO 102 HD2 PRO 102 20.373 -7.618 -7.482 684 HD3 PRO 102 HD3 PRO 102 18.853 -8.109 -6.762 685 H SER 103 H SER 103 19.610 -11.110 -11.511 686 HA SER 103 HA SER 103 22.250 -10.108 -11.996 687 HB2 SER 103 HB2 SER 103 22.542 -12.133 -13.343 688 HB3 SER 103 HB3 SER 103 21.814 -12.550 -11.805 689 HG SER 103 HG SER 103 20.221 -12.051 -14.163 690 H SER 104 H SER 104 23.031 -9.701 -14.270 691 HA SER 104 HA SER 104 22.918 -8.479 -16.069 692 HB2 SER 104 HB2 SER 104 21.459 -9.262 -17.831 693 HB3 SER 104 HB3 SER 104 21.913 -10.653 -16.867 694 HG SER 104 HG SER 104 19.404 -9.233 -16.885 Start of MODEL 20 1 H MET 1 H1 MET 1 -14.975 -6.001 -1.660 2 HA MET 1 HA MET 1 -17.259 -5.581 -1.923 3 HB2 MET 1 HB2 MET 1 -16.116 -3.324 -3.538 4 HB3 MET 1 HB3 MET 1 -17.586 -4.018 -4.191 5 HG2 MET 1 HG2 MET 1 -18.794 -2.838 -2.674 6 HG3 MET 1 HG3 MET 1 -18.038 -3.750 -1.383 7 HE1 MET 1 HE1 MET 1 -19.161 -0.781 -1.744 8 HE2 MET 1 HE2 MET 1 -18.558 -1.045 -0.090 9 HE3 MET 1 HE3 MET 1 -17.998 0.361 -1.027 10 H GLY 2 H GLY 2 -15.091 -5.347 -4.837 11 HA2 GLY 2 HA2 GLY 2 -15.405 -8.002 -5.623 12 HA3 GLY 2 HA3 GLY 2 -16.645 -7.074 -6.443 13 H LYS 3 H LYS 3 -15.167 -7.992 -8.306 14 HA LYS 3 HA LYS 3 -13.881 -7.474 -10.026 15 HB2 LYS 3 HB2 LYS 3 -14.305 -4.836 -8.773 16 HB3 LYS 3 HB3 LYS 3 -12.867 -4.937 -9.769 17 HG2 LYS 3 HG2 LYS 3 -15.124 -6.278 -11.075 18 HG3 LYS 3 HG3 LYS 3 -15.542 -4.627 -10.660 19 HD2 LYS 3 HD2 LYS 3 -12.912 -4.445 -11.687 20 HD3 LYS 3 HD3 LYS 3 -13.703 -5.612 -12.727 21 HE2 LYS 3 HE2 LYS 3 -14.957 -2.919 -12.028 22 HE3 LYS 3 HE3 LYS 3 -13.925 -3.145 -13.426 23 HZ1 LYS 3 HZ1 LYS 3 -16.445 -4.637 -12.920 24 HZ2 LYS 3 HZ2 LYS 3 -16.256 -3.449 -14.018 25 HZ3 LYS 3 HZ3 LYS 3 -15.428 -4.851 -14.183 26 H GLU 4 H GLU 4 -12.486 -9.171 -9.150 27 HA GLU 4 HA GLU 4 -9.861 -8.213 -8.870 28 HB2 GLU 4 HB2 GLU 4 -11.219 -8.280 -6.448 29 HB3 GLU 4 HB3 GLU 4 -10.437 -9.848 -6.466 30 HG2 GLU 4 HG2 GLU 4 -9.039 -7.164 -6.889 31 HG3 GLU 4 HG3 GLU 4 -8.983 -8.118 -5.421 32 H SER 5 H SER 5 -11.934 -11.044 -7.889 33 HA SER 5 HA SER 5 -11.935 -13.122 -8.517 34 HB2 SER 5 HB2 SER 5 -11.446 -11.842 -10.878 35 HB3 SER 5 HB3 SER 5 -10.003 -12.831 -10.784 36 HG SER 5 HG SER 5 -11.152 -14.607 -11.172 37 H GLY 6 H GLY 6 -10.823 -13.921 -6.678 38 HA2 GLY 6 HA2 GLY 6 -9.132 -15.458 -6.091 39 HA3 GLY 6 HA3 GLY 6 -8.017 -14.656 -7.180 40 H TRP 7 H TRP 7 -10.187 -13.635 -4.435 41 HA TRP 7 HA TRP 7 -7.940 -12.839 -2.868 42 HB2 TRP 7 HB2 TRP 7 -8.174 -10.984 -4.577 43 HB3 TRP 7 HB3 TRP 7 -9.724 -10.611 -3.849 44 HD1 TRP 7 HD1 TRP 7 -6.036 -10.967 -2.568 45 HE1 TRP 7 HE1 TRP 7 -5.532 -9.161 -0.712 46 HE3 TRP 7 HE3 TRP 7 -10.715 -8.978 -2.489 47 HZ2 TRP 7 HZ2 TRP 7 -7.111 -7.148 0.554 48 HZ3 TRP 7 HZ3 TRP 7 -11.150 -7.095 -0.914 49 HH2 TRP 7 HH2 TRP 7 -9.440 -6.180 0.573 50 H ASP 8 H ASP 8 -9.003 -14.367 -1.450 51 HA ASP 8 HA ASP 8 -11.517 -13.318 -0.407 52 HB2 ASP 8 HB2 ASP 8 -11.969 -15.704 0.319 53 HB3 ASP 8 HB3 ASP 8 -11.953 -15.469 -1.417 54 H SER 9 H SER 9 -11.615 -13.088 1.896 55 HA SER 9 HA SER 9 -9.703 -14.357 3.541 56 HB2 SER 9 HB2 SER 9 -8.850 -11.935 2.400 57 HB3 SER 9 HB3 SER 9 -9.406 -11.464 3.994 58 HG SER 9 HG SER 9 -7.669 -13.737 3.641 59 H GLY 10 H GLY 10 -11.821 -11.407 3.277 60 HA2 GLY 10 HA2 GLY 10 -13.717 -10.895 4.410 61 HA3 GLY 10 HA3 GLY 10 -13.654 -12.444 5.226 62 H ARG 11 H ARG 11 -12.868 -12.582 7.327 63 HA ARG 11 HA ARG 11 -12.439 -10.100 8.614 64 HB2 ARG 11 HB2 ARG 11 -12.792 -12.963 9.410 65 HB3 ARG 11 HB3 ARG 11 -11.836 -12.003 10.523 66 HG2 ARG 11 HG2 ARG 11 -13.703 -10.269 10.525 67 HG3 ARG 11 HG3 ARG 11 -14.663 -11.370 9.556 68 HD2 ARG 11 HD2 ARG 11 -14.039 -13.103 11.517 69 HD3 ARG 11 HD3 ARG 11 -13.810 -11.632 12.441 70 HE ARG 11 HE ARG 11 -16.293 -11.417 11.045 71 HH11 ARG 11 HH22 ARG 11 -14.853 -13.282 13.690 72 HH12 ARG 11 HH21 ARG 11 -16.365 -13.546 14.493 73 HH21 ARG 11 HH12 ARG 11 -18.250 -11.766 12.097 74 HH22 ARG 11 HH11 ARG 11 -18.310 -12.674 13.573 75 H ALA 12 H ALA 12 -10.489 -13.144 8.166 76 HA ALA 12 HA ALA 12 -8.196 -12.501 9.398 77 HB1 ALA 12 HB1 ALA 12 -8.022 -13.638 6.620 78 HB2 ALA 12 HB2 ALA 12 -7.236 -14.181 8.122 79 HB3 ALA 12 HB3 ALA 12 -8.962 -14.519 7.848 80 H ALA 13 H ALA 13 -9.434 -11.163 6.316 81 HA ALA 13 HA ALA 13 -7.262 -9.997 5.242 82 HB1 ALA 13 HB1 ALA 13 -9.491 -8.113 5.360 83 HB2 ALA 13 HB2 ALA 13 -8.841 -9.016 3.971 84 HB3 ALA 13 HB3 ALA 13 -10.050 -9.771 5.036 85 H VAL 14 H VAL 14 -9.344 -8.467 7.807 86 HA VAL 14 HA VAL 14 -7.915 -6.204 8.211 87 HB VAL 14 HB VAL 14 -9.279 -7.990 10.234 88 HG11 VAL 14 HG11 VAL 14 -7.638 -6.203 11.125 89 HG12 VAL 14 HG12 VAL 14 -8.840 -5.020 10.557 90 HG13 VAL 14 HG13 VAL 14 -9.292 -6.230 11.782 91 HG21 VAL 14 HG21 VAL 14 -10.815 -5.692 9.670 92 HG22 VAL 14 HG22 VAL 14 -10.256 -6.307 8.096 93 HG23 VAL 14 HG23 VAL 14 -11.157 -7.374 9.199 94 H ALA 15 H ALA 15 -7.265 -9.482 9.597 95 HA ALA 15 HA ALA 15 -5.163 -8.787 11.236 96 HB1 ALA 15 HB1 ALA 15 -5.318 -11.344 9.608 97 HB2 ALA 15 HB2 ALA 15 -4.663 -11.114 11.247 98 HB3 ALA 15 HB3 ALA 15 -6.418 -11.013 10.968 99 H ALA 16 H ALA 16 -5.180 -9.646 7.719 100 HA ALA 16 HA ALA 16 -2.404 -9.504 7.397 101 HB1 ALA 16 HB1 ALA 16 -3.737 -10.632 5.764 102 HB2 ALA 16 HB2 ALA 16 -4.766 -9.201 5.512 103 HB3 ALA 16 HB3 ALA 16 -3.076 -9.192 4.953 104 H VAL 17 H VAL 17 -4.949 -7.057 7.642 105 HA VAL 17 HA VAL 17 -3.305 -4.987 6.515 106 HB VAL 17 HB VAL 17 -5.889 -4.795 8.071 107 HG11 VAL 17 HG11 VAL 17 -6.111 -2.626 7.277 108 HG12 VAL 17 HG12 VAL 17 -4.360 -2.729 7.578 109 HG13 VAL 17 HG13 VAL 17 -4.990 -2.892 5.921 110 HG21 VAL 17 HG21 VAL 17 -6.487 -4.489 5.371 111 HG22 VAL 17 HG22 VAL 17 -5.348 -5.857 5.403 112 HG23 VAL 17 HG23 VAL 17 -6.837 -5.914 6.378 113 H VAL 18 H VAL 18 -3.749 -6.563 9.598 114 HA VAL 18 HA VAL 18 -2.888 -4.331 11.165 115 HB VAL 18 HB VAL 18 -3.388 -7.257 11.656 116 HG11 VAL 18 HG11 VAL 18 -1.956 -7.229 13.374 117 HG12 VAL 18 HG12 VAL 18 -1.683 -5.477 13.214 118 HG13 VAL 18 HG13 VAL 18 -3.062 -6.081 14.165 119 HG21 VAL 18 HG21 VAL 18 -4.754 -4.663 12.344 120 HG22 VAL 18 HG22 VAL 18 -5.427 -6.140 11.613 121 HG23 VAL 18 HG23 VAL 18 -5.018 -6.111 13.345 122 H GLY 19 H GLY 19 -1.408 -7.535 10.277 123 HA2 GLY 19 HA2 GLY 19 1.081 -7.222 11.313 124 HA3 GLY 19 HA3 GLY 19 0.736 -8.062 9.814 125 H GLY 20 H GLY 20 2.174 -5.257 11.281 126 HA2 GLY 20 HA2 GLY 20 3.896 -4.180 9.977 127 HA3 GLY 20 HA3 GLY 20 2.821 -4.206 8.594 128 H VAL 21 H VAL 21 2.231 -3.321 12.069 129 HA VAL 21 HA VAL 21 0.566 -1.183 11.431 130 HB VAL 21 HB VAL 21 2.173 -1.883 13.890 131 HG11 VAL 21 HG11 VAL 21 1.695 0.559 13.806 132 HG12 VAL 21 HG12 VAL 21 -0.040 0.185 13.674 133 HG13 VAL 21 HG13 VAL 21 0.860 -0.274 15.139 134 HG21 VAL 21 HG21 VAL 21 0.595 -3.468 14.048 135 HG22 VAL 21 HG22 VAL 21 -0.531 -2.148 14.444 136 HG23 VAL 21 HG23 VAL 21 -0.396 -2.729 12.767 137 H VAL 22 H VAL 22 3.890 -0.965 12.891 138 HA VAL 22 HA VAL 22 4.304 1.674 12.533 139 HB VAL 22 HB VAL 22 6.773 0.821 12.081 140 HG11 VAL 22 HG11 VAL 22 5.719 0.012 14.756 141 HG12 VAL 22 HG12 VAL 22 7.110 1.039 14.331 142 HG13 VAL 22 HG13 VAL 22 5.457 1.695 14.238 143 HG21 VAL 22 HG21 VAL 22 5.470 -1.573 11.792 144 HG22 VAL 22 HG22 VAL 22 7.185 -1.389 12.232 145 HG23 VAL 22 HG23 VAL 22 5.961 -1.633 13.502 146 H ALA 23 H ALA 23 4.834 -0.941 10.086 147 HA ALA 23 HA ALA 23 5.917 0.567 8.081 148 HB1 ALA 23 HB1 ALA 23 4.162 -1.229 6.826 149 HB2 ALA 23 HB2 ALA 23 5.852 -1.540 7.289 150 HB3 ALA 23 HB3 ALA 23 4.530 -1.982 8.396 151 H VAL 24 H VAL 24 2.410 0.030 8.838 152 HA VAL 24 HA VAL 24 1.427 1.568 6.740 153 HB VAL 24 HB VAL 24 0.266 1.031 9.481 154 HG11 VAL 24 HG11 VAL 24 -1.527 1.347 7.149 155 HG12 VAL 24 HG12 VAL 24 -1.702 1.926 8.822 156 HG13 VAL 24 HG13 VAL 24 -0.691 2.829 7.670 157 HG21 VAL 24 HG21 VAL 24 0.939 -0.787 7.458 158 HG22 VAL 24 HG22 VAL 24 -0.134 -1.074 8.848 159 HG23 VAL 24 HG23 VAL 24 -0.816 -0.544 7.292 160 H GLY 25 H GLY 25 2.707 2.428 9.960 161 HA2 GLY 25 HA2 GLY 25 1.749 5.095 9.998 162 HA3 GLY 25 HA3 GLY 25 3.049 4.418 10.959 163 H THR 26 H THR 26 4.822 3.533 8.885 164 HA THR 26 HA THR 26 6.196 5.911 8.352 165 HB THR 26 HB THR 26 6.362 3.026 7.379 166 HG1 THR 26 HG1 THR 26 8.249 3.259 8.811 167 HG21 THR 26 HG21 THR 26 7.726 5.432 6.296 168 HG22 THR 26 HG22 THR 26 8.851 4.203 6.922 169 HG23 THR 26 HG23 THR 26 7.683 3.774 5.649 170 H VAL 27 H VAL 27 4.214 3.816 6.159 171 HA VAL 27 HA VAL 27 4.577 5.384 3.899 172 HB VAL 27 HB VAL 27 3.722 3.127 3.851 173 HG11 VAL 27 HG11 VAL 27 1.291 4.257 5.276 174 HG12 VAL 27 HG12 VAL 27 1.373 2.638 4.541 175 HG13 VAL 27 HG13 VAL 27 2.444 3.054 5.901 176 HG21 VAL 27 HG21 VAL 27 2.148 5.359 2.652 177 HG22 VAL 27 HG22 VAL 27 3.078 4.059 1.870 178 HG23 VAL 27 HG23 VAL 27 1.463 3.721 2.537 179 H LEU 28 H LEU 28 2.098 5.530 6.526 180 HA LEU 28 HA LEU 28 0.493 7.476 5.434 181 HB2 LEU 28 HB2 LEU 28 0.570 6.040 7.738 182 HB3 LEU 28 HB3 LEU 28 0.978 7.635 8.340 183 HG LEU 28 HG LEU 28 -1.317 7.666 6.514 184 HD11 LEU 28 HD11 LEU 28 -2.908 6.551 7.922 185 HD12 LEU 28 HD12 LEU 28 -1.599 5.409 7.534 186 HD13 LEU 28 HD13 LEU 28 -1.657 6.186 9.134 187 HD21 LEU 28 HD21 LEU 28 -0.392 9.445 8.177 188 HD22 LEU 28 HD22 LEU 28 -2.150 9.248 7.979 189 HD23 LEU 28 HD23 LEU 28 -1.328 8.537 9.389 190 H VAL 29 H VAL 29 3.018 8.107 7.972 191 HA VAL 29 HA VAL 29 3.061 10.814 7.739 192 HB VAL 29 HB VAL 29 4.219 9.331 9.400 193 HG11 VAL 29 HG11 VAL 29 6.722 8.943 8.706 194 HG12 VAL 29 HG12 VAL 29 5.469 7.768 8.238 195 HG13 VAL 29 HG13 VAL 29 6.060 8.959 7.054 196 HG21 VAL 29 HG21 VAL 29 4.658 11.604 9.677 197 HG22 VAL 29 HG22 VAL 29 6.287 10.902 9.532 198 HG23 VAL 29 HG23 VAL 29 5.546 11.725 8.139 199 H ALA 30 H ALA 30 4.389 8.370 5.534 200 HA ALA 30 HA ALA 30 6.186 9.965 4.146 201 HB1 ALA 30 HB1 ALA 30 6.438 8.042 3.002 202 HB2 ALA 30 HB2 ALA 30 5.154 7.353 4.024 203 HB3 ALA 30 HB3 ALA 30 4.746 8.077 2.450 204 H LEU 31 H LEU 31 2.813 9.073 3.106 205 HA LEU 31 HA LEU 31 2.757 11.146 1.187 206 HB2 LEU 31 HB2 LEU 31 1.431 9.374 0.628 207 HB3 LEU 31 HB3 LEU 31 0.865 9.119 2.266 208 HG LEU 31 HG LEU 31 -0.383 11.396 1.921 209 HD11 LEU 31 HD11 LEU 31 -0.627 12.256 -0.144 210 HD12 LEU 31 HD12 LEU 31 0.904 11.407 -0.466 211 HD13 LEU 31 HD13 LEU 31 -0.643 10.658 -0.929 212 HD21 LEU 31 HD21 LEU 31 -1.656 9.475 2.332 213 HD22 LEU 31 HD22 LEU 31 -2.283 10.101 0.788 214 HD23 LEU 31 HD23 LEU 31 -1.172 8.710 0.799 215 H SER 32 H SER 32 0.744 10.706 4.186 216 HA SER 32 HA SER 32 -0.409 13.078 4.294 217 HB2 SER 32 HB2 SER 32 -0.401 11.090 5.992 218 HB3 SER 32 HB3 SER 32 0.895 11.954 6.795 219 HG SER 32 HG SER 32 -0.743 12.933 7.794 220 H ALA 33 H ALA 33 2.830 12.396 5.825 221 HA ALA 33 HA ALA 33 3.298 15.254 6.016 222 HB1 ALA 33 HB1 ALA 33 3.981 12.975 7.536 223 HB2 ALA 33 HB2 ALA 33 5.507 13.544 6.818 224 HB3 ALA 33 HB3 ALA 33 4.521 14.650 7.804 225 H MET 34 H MET 34 3.014 14.542 3.359 226 HA MET 34 HA MET 34 4.997 13.551 1.935 227 HB2 MET 34 HB2 MET 34 2.808 15.089 1.393 228 HB3 MET 34 HB3 MET 34 4.044 16.297 1.099 229 HG2 MET 34 HG2 MET 34 3.950 15.357 -1.024 230 HG3 MET 34 HG3 MET 34 5.171 14.314 -0.323 231 HE1 MET 34 HE1 MET 34 2.783 12.387 -2.726 232 HE2 MET 34 HE2 MET 34 1.760 13.807 -2.402 233 HE3 MET 34 HE3 MET 34 3.503 14.015 -2.701 234 H GLY 35 H GLY 35 5.057 16.717 3.627 235 HA2 GLY 35 HA2 GLY 35 7.616 16.946 4.256 236 HA3 GLY 35 HA3 GLY 35 7.696 17.339 2.550 237 H PHE 36 H PHE 36 5.205 18.063 5.099 238 HA PHE 36 HA PHE 36 5.919 20.792 5.241 239 HB2 PHE 36 HB2 PHE 36 4.574 20.184 2.936 240 HB3 PHE 36 HB3 PHE 36 3.189 20.291 4.005 241 HD1 PHE 36 HD2 PHE 36 3.616 22.506 5.710 242 HD2 PHE 36 HD1 PHE 36 4.792 22.077 1.655 243 HE1 PHE 36 HE2 PHE 36 3.603 25.002 5.442 244 HE2 PHE 36 HE1 PHE 36 4.779 24.573 1.387 245 HZ PHE 36 HZ PHE 36 4.184 26.005 3.284 246 H THR 37 H THR 37 5.855 19.770 7.467 247 HA THR 37 HA THR 37 4.794 19.139 9.359 248 HB THR 37 HB THR 37 4.702 21.776 8.939 249 HG1 THR 37 HG1 THR 37 4.619 21.173 11.088 250 HG21 THR 37 HG21 THR 37 1.840 21.570 9.636 251 HG22 THR 37 HG22 THR 37 2.644 22.695 8.514 252 HG23 THR 37 HG23 THR 37 2.157 21.077 7.955 253 H SER 38 H SER 38 2.039 19.708 10.164 254 HA SER 38 HA SER 38 0.127 18.809 8.522 255 HB2 SER 38 HB2 SER 38 1.965 16.666 9.004 256 HB3 SER 38 HB3 SER 38 0.504 16.283 9.893 257 HG SER 38 HG SER 38 -0.241 15.613 8.001 258 H VAL 39 H VAL 39 1.686 18.693 11.712 259 HA VAL 39 HA VAL 39 -0.555 18.030 13.242 260 HB VAL 39 HB VAL 39 1.928 19.642 13.852 261 HG11 VAL 39 HG11 VAL 39 -0.408 19.531 15.389 262 HG12 VAL 39 HG12 VAL 39 0.687 18.346 16.141 263 HG13 VAL 39 HG13 VAL 39 1.210 20.034 15.932 264 HG21 VAL 39 HG21 VAL 39 2.003 17.132 13.135 265 HG22 VAL 39 HG22 VAL 39 2.930 17.667 14.557 266 HG23 VAL 39 HG23 VAL 39 1.374 16.829 14.772 267 H GLY 40 H GLY 40 0.949 21.308 13.365 268 HA2 GLY 40 HA2 GLY 40 -1.045 22.785 14.284 269 HA3 GLY 40 HA3 GLY 40 0.004 23.352 13.000 270 H ILE 41 H ILE 41 -0.661 22.270 10.698 271 HA ILE 41 HA ILE 41 -2.980 23.443 9.911 272 HB ILE 41 HB ILE 41 -1.254 22.724 8.395 273 HG12 ILE 41 HG12 ILE 41 -3.224 21.088 7.113 274 HG13 ILE 41 HG13 ILE 41 -4.056 22.356 7.990 275 HG21 ILE 41 HG21 ILE 41 -2.147 19.866 8.835 276 HG22 ILE 41 HG22 ILE 41 -0.796 20.451 7.835 277 HG23 ILE 41 HG23 ILE 41 -0.718 20.594 9.608 278 HD11 ILE 41 HD11 ILE 41 -2.074 23.857 6.912 279 HD12 ILE 41 HD12 ILE 41 -2.153 22.570 5.686 280 HD13 ILE 41 HD13 ILE 41 -3.602 23.535 6.057 281 H ALA 42 H ALA 42 -2.512 19.974 10.865 282 HA ALA 42 HA ALA 42 -5.129 19.177 10.482 283 HB1 ALA 42 HB1 ALA 42 -4.526 17.374 12.111 284 HB2 ALA 42 HB2 ALA 42 -3.290 17.623 10.854 285 HB3 ALA 42 HB3 ALA 42 -3.034 18.266 12.494 286 H ALA 43 H ALA 43 -3.549 20.863 13.234 287 HA ALA 43 HA ALA 43 -5.699 20.614 15.016 288 HB1 ALA 43 HB1 ALA 43 -4.027 21.423 16.283 289 HB2 ALA 43 HB2 ALA 43 -3.116 21.932 14.841 290 HB3 ALA 43 HB3 ALA 43 -4.325 23.022 15.560 291 H SER 44 H SER 44 -4.996 22.797 12.290 292 HA SER 44 HA SER 44 -6.926 24.704 13.023 293 HB2 SER 44 HB2 SER 44 -4.867 24.680 11.254 294 HB3 SER 44 HB3 SER 44 -6.177 24.339 10.141 295 HG SER 44 HG SER 44 -6.696 26.406 10.212 296 H SER 45 H SER 45 -6.850 21.869 10.775 297 HA SER 45 HA SER 45 -9.403 22.289 9.759 298 HB2 SER 45 HB2 SER 45 -7.689 19.781 9.994 299 HB3 SER 45 HB3 SER 45 -9.216 19.809 9.133 300 HG SER 45 HG SER 45 -7.128 21.705 8.530 301 H ILE 46 H ILE 46 -8.216 19.855 12.202 302 HA ILE 46 HA ILE 46 -10.661 18.855 12.923 303 HB ILE 46 HB ILE 46 -8.168 19.255 14.578 304 HG12 ILE 46 HG12 ILE 46 -9.007 16.655 13.346 305 HG13 ILE 46 HG13 ILE 46 -8.258 17.866 12.324 306 HG21 ILE 46 HG21 ILE 46 -10.412 18.818 15.806 307 HG22 ILE 46 HG22 ILE 46 -10.265 17.175 15.139 308 HG23 ILE 46 HG23 ILE 46 -8.992 17.821 16.201 309 HD11 ILE 46 HD11 ILE 46 -6.340 18.016 13.946 310 HD12 ILE 46 HD12 ILE 46 -7.088 16.710 14.897 311 HD13 ILE 46 HD13 ILE 46 -6.525 16.393 13.238 312 H ALA 47 H ALA 47 -8.900 21.710 14.289 313 HA ALA 47 HA ALA 47 -10.732 22.340 16.255 314 HB1 ALA 47 HB1 ALA 47 -8.885 24.058 14.555 315 HB2 ALA 47 HB2 ALA 47 -9.771 24.668 15.974 316 HB3 ALA 47 HB3 ALA 47 -8.560 23.378 16.168 317 H ALA 48 H ALA 48 -10.557 23.500 12.817 318 HA ALA 48 HA ALA 48 -12.719 25.165 12.840 319 HB1 ALA 48 HB1 ALA 48 -11.474 23.366 10.753 320 HB2 ALA 48 HB2 ALA 48 -12.901 24.356 10.363 321 HB3 ALA 48 HB3 ALA 48 -11.395 25.138 10.901 322 H LYS 49 H LYS 49 -12.781 21.675 11.800 323 HA LYS 49 HA LYS 49 -15.115 21.149 13.297 324 HB2 LYS 49 HB2 LYS 49 -15.698 22.556 11.009 325 HB3 LYS 49 HB3 LYS 49 -15.860 20.902 10.455 326 HG2 LYS 49 HG2 LYS 49 -17.488 20.382 12.170 327 HG3 LYS 49 HG3 LYS 49 -17.147 21.861 13.044 328 HD2 LYS 49 HD2 LYS 49 -18.027 23.198 11.113 329 HD3 LYS 49 HD3 LYS 49 -18.381 21.714 10.252 330 HE2 LYS 49 HE2 LYS 49 -20.405 21.658 11.276 331 HE3 LYS 49 HE3 LYS 49 -19.587 21.378 12.801 332 HZ1 LYS 49 HZ1 LYS 49 -19.489 24.139 12.065 333 HZ2 LYS 49 HZ2 LYS 49 -21.031 23.619 12.148 334 HZ3 LYS 49 HZ3 LYS 49 -20.033 23.415 13.429 335 H MET 50 H MET 50 -13.963 20.107 10.014 336 HA MET 50 HA MET 50 -12.507 17.958 10.986 337 HB2 MET 50 HB2 MET 50 -14.041 16.085 10.428 338 HB3 MET 50 HB3 MET 50 -14.793 17.116 11.629 339 HG2 MET 50 HG2 MET 50 -15.413 18.062 8.922 340 HG3 MET 50 HG3 MET 50 -15.866 16.380 9.108 341 HE1 MET 50 HE1 MET 50 -19.288 17.051 10.074 342 HE2 MET 50 HE2 MET 50 -18.580 18.029 8.765 343 HE3 MET 50 HE3 MET 50 -18.070 16.338 8.989 344 H MET 51 H MET 51 -11.951 16.362 9.125 345 HA MET 51 HA MET 51 -11.162 17.846 6.948 346 HB2 MET 51 HB2 MET 51 -10.453 15.457 7.942 347 HB3 MET 51 HB3 MET 51 -11.619 14.841 6.787 348 HG2 MET 51 HG2 MET 51 -9.883 14.889 5.297 349 HG3 MET 51 HG3 MET 51 -10.202 16.609 5.201 350 HE1 MET 51 HE1 MET 51 -6.966 17.123 4.872 351 HE2 MET 51 HE2 MET 51 -6.458 15.459 5.246 352 HE3 MET 51 HE3 MET 51 -7.915 15.745 4.265 353 H SER 52 H SER 52 -12.920 18.976 5.978 354 HA SER 52 HA SER 52 -14.090 17.804 3.849 355 HB2 SER 52 HB2 SER 52 -15.431 16.953 6.222 356 HB3 SER 52 HB3 SER 52 -16.501 18.102 5.444 357 HG SER 52 HG SER 52 -16.366 16.857 3.482 358 H THR 53 H THR 53 -15.069 19.429 2.574 359 HA THR 53 HA THR 53 -15.244 22.052 3.889 360 HB THR 53 HB THR 53 -13.644 21.415 1.859 361 HG1 THR 53 HG1 THR 53 -15.559 23.643 1.863 362 HG21 THR 53 HG21 THR 53 -16.295 22.087 0.476 363 HG22 THR 53 HG22 THR 53 -14.708 21.962 -0.320 364 HG23 THR 53 HG23 THR 53 -15.470 20.513 0.379 365 H ALA 54 H ALA 54 -17.047 19.575 2.120 366 HA ALA 54 HA ALA 54 -19.180 19.421 1.543 367 HB1 ALA 54 HB1 ALA 54 -20.299 21.360 3.415 368 HB2 ALA 54 HB2 ALA 54 -20.449 19.586 3.395 369 HB3 ALA 54 HB3 ALA 54 -19.053 20.353 4.190 370 H ALA 55 H ALA 55 -18.148 20.743 -0.391 371 HA ALA 55 HA ALA 55 -20.058 22.843 -0.949 372 HB1 ALA 55 HB1 ALA 55 -17.994 23.883 0.167 373 HB2 ALA 55 HB2 ALA 55 -17.093 23.392 -1.287 374 HB3 ALA 55 HB3 ALA 55 -18.450 24.534 -1.425 375 H ILE 56 H ILE 56 -16.900 21.591 -2.255 376 HA ILE 56 HA ILE 56 -17.872 21.556 -4.896 377 HB ILE 56 HB ILE 56 -15.495 20.179 -3.640 378 HG12 ILE 56 HG12 ILE 56 -15.604 22.669 -3.359 379 HG13 ILE 56 HG13 ILE 56 -14.206 22.083 -4.238 380 HG21 ILE 56 HG21 ILE 56 -14.680 20.477 -6.118 381 HG22 ILE 56 HG22 ILE 56 -15.669 19.074 -5.647 382 HG23 ILE 56 HG23 ILE 56 -16.423 20.457 -6.475 383 HD11 ILE 56 HD11 ILE 56 -16.731 23.304 -5.439 384 HD12 ILE 56 HD12 ILE 56 -15.097 24.009 -5.429 385 HD13 ILE 56 HD13 ILE 56 -15.435 22.559 -6.405 386 H ALA 57 H ALA 57 -17.064 18.818 -2.638 387 HA ALA 57 HA ALA 57 -17.871 16.764 -2.489 388 HB1 ALA 57 HB1 ALA 57 -20.223 18.403 -3.307 389 HB2 ALA 57 HB2 ALA 57 -20.395 16.639 -3.475 390 HB3 ALA 57 HB3 ALA 57 -19.999 17.348 -1.891 391 H ASN 58 H ASN 58 -16.220 16.049 -4.008 392 HA ASN 58 HA ASN 58 -17.441 15.280 -6.538 393 HB2 ASN 58 HB2 ASN 58 -15.291 17.064 -6.250 394 HB3 ASN 58 HB3 ASN 58 -14.484 15.543 -6.575 395 HD21 ASN 58 HD21 ASN 58 -15.926 18.212 -7.906 396 HD22 ASN 58 HD22 ASN 58 -16.219 17.655 -9.519 397 H GLY 59 H GLY 59 -17.853 13.100 -5.870 398 HA2 GLY 59 HA2 GLY 59 -16.767 10.947 -6.125 399 HA3 GLY 59 HA3 GLY 59 -15.454 11.537 -5.125 400 H GLY 60 H GLY 60 -16.083 12.297 -2.830 401 HA2 GLY 60 HA2 GLY 60 -17.538 12.160 -0.997 402 HA3 GLY 60 HA3 GLY 60 -18.449 10.895 -1.798 403 H GLY 61 H GLY 61 -16.040 11.578 0.531 404 HA2 GLY 61 HA2 GLY 61 -15.372 9.881 2.033 405 HA3 GLY 61 HA3 GLY 61 -15.402 8.710 0.730 406 H VAL 62 H VAL 62 -13.138 8.535 2.059 407 HA VAL 62 HA VAL 62 -11.114 10.326 1.681 408 HB VAL 62 HB VAL 62 -9.623 8.348 1.858 409 HG11 VAL 62 HG11 VAL 62 -10.105 9.054 3.970 410 HG12 VAL 62 HG12 VAL 62 -11.865 8.948 3.726 411 HG13 VAL 62 HG13 VAL 62 -10.921 7.473 4.044 412 HG21 VAL 62 HG21 VAL 62 -12.234 6.860 1.517 413 HG22 VAL 62 HG22 VAL 62 -10.707 6.652 0.626 414 HG23 VAL 62 HG23 VAL 62 -10.825 6.133 2.325 415 H ALA 63 H ALA 63 -12.291 7.749 -0.564 416 HA ALA 63 HA ALA 63 -10.362 7.978 -2.500 417 HB1 ALA 63 HB1 ALA 63 -12.453 7.375 -4.014 418 HB2 ALA 63 HB2 ALA 63 -11.850 6.221 -2.800 419 HB3 ALA 63 HB3 ALA 63 -13.275 7.226 -2.443 420 H ALA 64 H ALA 64 -11.052 8.870 -4.869 421 HA ALA 64 HA ALA 64 -11.247 10.664 -6.148 422 HB1 ALA 64 HB1 ALA 64 -13.319 11.343 -4.034 423 HB2 ALA 64 HB2 ALA 64 -13.058 12.341 -5.484 424 HB3 ALA 64 HB3 ALA 64 -13.585 10.649 -5.651 425 H GLY 65 H GLY 65 -9.437 11.890 -6.299 426 HA2 GLY 65 HA2 GLY 65 -8.866 14.254 -5.422 427 HA3 GLY 65 HA3 GLY 65 -8.577 13.394 -3.923 428 H SER 66 H SER 66 -6.500 14.812 -5.190 429 HA SER 66 HA SER 66 -4.998 13.524 -7.012 430 HB2 SER 66 HB2 SER 66 -4.529 15.474 -4.852 431 HB3 SER 66 HB3 SER 66 -3.102 14.518 -5.199 432 HG SER 66 HG SER 66 -3.281 15.128 -7.444 433 H LEU 67 H LEU 67 -5.432 12.771 -3.547 434 HA LEU 67 HA LEU 67 -3.281 11.156 -3.075 435 HB2 LEU 67 HB2 LEU 67 -5.303 11.951 -1.615 436 HB3 LEU 67 HB3 LEU 67 -6.005 10.414 -2.080 437 HG LEU 67 HG LEU 67 -3.232 10.455 -0.935 438 HD11 LEU 67 HD11 LEU 67 -4.599 10.029 1.315 439 HD12 LEU 67 HD12 LEU 67 -4.058 11.648 0.812 440 HD13 LEU 67 HD13 LEU 67 -5.738 11.141 0.518 441 HD21 LEU 67 HD21 LEU 67 -3.717 8.307 -1.547 442 HD22 LEU 67 HD22 LEU 67 -4.342 8.301 0.119 443 HD23 LEU 67 HD23 LEU 67 -5.462 8.491 -1.251 444 H VAL 68 H VAL 68 -6.423 10.311 -4.656 445 HA VAL 68 HA VAL 68 -6.110 7.636 -4.941 446 HB VAL 68 HB VAL 68 -7.196 9.660 -6.906 447 HG11 VAL 68 HG11 VAL 68 -8.450 7.049 -7.017 448 HG12 VAL 68 HG12 VAL 68 -7.733 8.021 -8.324 449 HG13 VAL 68 HG13 VAL 68 -6.708 6.930 -7.361 450 HG21 VAL 68 HG21 VAL 68 -9.399 8.719 -5.885 451 HG22 VAL 68 HG22 VAL 68 -8.354 8.188 -4.546 452 HG23 VAL 68 HG23 VAL 68 -8.456 9.915 -4.963 453 H ALA 69 H ALA 69 -4.573 10.261 -6.873 454 HA ALA 69 HA ALA 69 -3.466 8.753 -8.873 455 HB1 ALA 69 HB1 ALA 69 -3.471 11.268 -8.585 456 HB2 ALA 69 HB2 ALA 69 -2.125 11.074 -7.436 457 HB3 ALA 69 HB3 ALA 69 -1.922 10.586 -9.136 458 H ILE 70 H ILE 70 -2.127 9.466 -5.577 459 HA ILE 70 HA ILE 70 0.158 7.835 -6.020 460 HB ILE 70 HB ILE 70 0.849 8.522 -3.963 461 HG12 ILE 70 HG12 ILE 70 -1.231 9.404 -2.371 462 HG13 ILE 70 HG13 ILE 70 -1.932 8.009 -3.167 463 HG21 ILE 70 HG21 ILE 70 0.535 10.808 -3.860 464 HG22 ILE 70 HG22 ILE 70 0.049 10.442 -5.533 465 HG23 ILE 70 HG23 ILE 70 -1.191 10.702 -4.283 466 HD11 ILE 70 HD11 ILE 70 0.108 8.106 -1.077 467 HD12 ILE 70 HD12 ILE 70 -0.827 6.713 -1.673 468 HD13 ILE 70 HD13 ILE 70 0.684 7.183 -2.487 469 H LEU 71 H LEU 71 -3.163 7.323 -4.945 470 HA LEU 71 HA LEU 71 -2.805 4.992 -3.482 471 HB2 LEU 71 HB2 LEU 71 -4.857 6.510 -3.814 472 HB3 LEU 71 HB3 LEU 71 -5.180 5.545 -5.241 473 HG LEU 71 HG LEU 71 -4.719 4.059 -2.700 474 HD11 LEU 71 HD11 LEU 71 -6.206 5.223 -1.519 475 HD12 LEU 71 HD12 LEU 71 -6.732 6.155 -2.942 476 HD13 LEU 71 HD13 LEU 71 -7.444 4.557 -2.612 477 HD21 LEU 71 HD21 LEU 71 -7.067 3.296 -4.139 478 HD22 LEU 71 HD22 LEU 71 -5.737 3.529 -5.299 479 HD23 LEU 71 HD23 LEU 71 -5.538 2.409 -3.930 480 H GLN 72 H GLN 72 -3.485 5.448 -7.018 481 HA GLN 72 HA GLN 72 -3.296 2.696 -7.527 482 HB2 GLN 72 HB2 GLN 72 -4.011 5.058 -8.952 483 HB3 GLN 72 HB3 GLN 72 -2.716 4.317 -9.871 484 HG2 GLN 72 HG2 GLN 72 -3.967 2.110 -9.753 485 HG3 GLN 72 HG3 GLN 72 -5.291 2.946 -8.966 486 HE21 GLN 72 HE21 GLN 72 -5.854 1.660 -11.207 487 HE22 GLN 72 HE22 GLN 72 -6.122 2.726 -12.546 488 H SER 73 H SER 73 -1.030 5.490 -7.948 489 HA SER 73 HA SER 73 0.988 4.141 -9.186 490 HB2 SER 73 HB2 SER 73 0.593 6.688 -8.015 491 HB3 SER 73 HB3 SER 73 2.022 6.052 -7.226 492 HG SER 73 HG SER 73 3.114 6.506 -8.999 493 H VAL 74 H VAL 74 1.069 5.062 -5.664 494 HA VAL 74 HA VAL 74 3.062 3.241 -5.010 495 HB VAL 74 HB VAL 74 2.648 3.848 -2.790 496 HG11 VAL 74 HG11 VAL 74 3.106 5.731 -4.585 497 HG12 VAL 74 HG12 VAL 74 1.495 6.297 -4.083 498 HG13 VAL 74 HG13 VAL 74 2.800 6.146 -2.882 499 HG21 VAL 74 HG21 VAL 74 0.247 5.217 -2.582 500 HG22 VAL 74 HG22 VAL 74 -0.160 3.830 -3.620 501 HG23 VAL 74 HG23 VAL 74 0.563 3.559 -2.017 502 H GLY 75 H GLY 75 -0.424 2.870 -5.466 503 HA2 GLY 75 HA2 GLY 75 -0.893 0.566 -3.973 504 HA3 GLY 75 HA3 GLY 75 -1.760 1.065 -5.412 505 H ALA 76 H ALA 76 -0.582 0.635 -7.587 506 HA ALA 76 HA ALA 76 0.014 -2.113 -7.701 507 HB1 ALA 76 HB1 ALA 76 0.736 -0.159 -9.881 508 HB2 ALA 76 HB2 ALA 76 0.023 -1.785 -10.009 509 HB3 ALA 76 HB3 ALA 76 -0.974 -0.417 -9.460 510 H ALA 77 H ALA 77 2.081 0.818 -8.325 511 HA ALA 77 HA ALA 77 4.456 -0.423 -8.726 512 HB1 ALA 77 HB1 ALA 77 3.869 2.055 -8.813 513 HB2 ALA 77 HB2 ALA 77 4.107 2.087 -7.050 514 HB3 ALA 77 HB3 ALA 77 5.463 1.667 -8.123 515 H GLY 78 H GLY 78 3.275 0.776 -5.496 516 HA2 GLY 78 HA2 GLY 78 5.244 -0.207 -3.896 517 HA3 GLY 78 HA3 GLY 78 3.559 -0.082 -3.431 518 H LEU 79 H LEU 79 2.081 -1.948 -4.313 519 HA LEU 79 HA LEU 79 2.800 -4.294 -3.185 520 HB2 LEU 79 HB2 LEU 79 0.642 -3.304 -4.579 521 HB3 LEU 79 HB3 LEU 79 1.168 -4.634 -5.593 522 HG LEU 79 HG LEU 79 1.147 -5.551 -2.882 523 HD11 LEU 79 HD11 LEU 79 -1.635 -4.738 -3.550 524 HD12 LEU 79 HD12 LEU 79 -0.848 -4.971 -1.971 525 HD13 LEU 79 HD13 LEU 79 -0.549 -3.485 -2.904 526 HD21 LEU 79 HD21 LEU 79 0.023 -7.338 -3.762 527 HD22 LEU 79 HD22 LEU 79 -0.957 -6.333 -4.856 528 HD23 LEU 79 HD23 LEU 79 0.748 -6.667 -5.243 529 H SER 80 H SER 80 3.751 -3.020 -6.361 530 HA SER 80 HA SER 80 4.602 -5.425 -7.445 531 HB2 SER 80 HB2 SER 80 4.477 -2.756 -8.253 532 HB3 SER 80 HB3 SER 80 6.203 -3.060 -8.211 533 HG SER 80 HG SER 80 4.192 -4.235 -9.854 534 H VAL 81 H VAL 81 6.795 -2.723 -6.387 535 HA VAL 81 HA VAL 81 9.069 -4.207 -6.177 536 HB VAL 81 HB VAL 81 8.612 -1.678 -5.987 537 HG11 VAL 81 HG11 VAL 81 8.067 -0.721 -4.002 538 HG12 VAL 81 HG12 VAL 81 7.317 -2.307 -3.699 539 HG13 VAL 81 HG13 VAL 81 8.933 -1.947 -3.046 540 HG21 VAL 81 HG21 VAL 81 10.727 -1.687 -4.235 541 HG22 VAL 81 HG22 VAL 81 10.779 -3.342 -4.887 542 HG23 VAL 81 HG23 VAL 81 10.847 -1.948 -5.991 543 H THR 82 H THR 82 6.255 -4.131 -4.042 544 HA THR 82 HA THR 82 7.499 -5.176 -1.741 545 HB THR 82 HB THR 82 4.638 -5.177 -2.823 546 HG1 THR 82 HG1 THR 82 4.672 -3.540 -0.965 547 HG21 THR 82 HG21 THR 82 4.032 -5.531 -0.376 548 HG22 THR 82 HG22 THR 82 4.747 -6.970 -1.143 549 HG23 THR 82 HG23 THR 82 5.735 -5.949 -0.070 550 H SER 83 H SER 83 5.076 -7.051 -3.626 551 HA SER 83 HA SER 83 5.927 -9.461 -2.788 552 HB2 SER 83 HB2 SER 83 3.857 -8.896 -4.163 553 HB3 SER 83 HB3 SER 83 4.872 -8.893 -5.592 554 HG SER 83 HG SER 83 5.518 -11.164 -4.791 555 H LYS 84 H LYS 84 7.085 -7.557 -5.633 556 HA LYS 84 HA LYS 84 8.679 -9.416 -6.834 557 HB2 LYS 84 HB2 LYS 84 8.113 -7.016 -7.526 558 HB3 LYS 84 HB3 LYS 84 9.450 -6.510 -6.512 559 HG2 LYS 84 HG2 LYS 84 10.128 -8.766 -8.319 560 HG3 LYS 84 HG3 LYS 84 9.658 -7.310 -9.171 561 HD2 LYS 84 HD2 LYS 84 11.539 -6.904 -6.881 562 HD3 LYS 84 HD3 LYS 84 12.196 -7.785 -8.245 563 HE2 LYS 84 HE2 LYS 84 12.480 -5.829 -9.356 564 HE3 LYS 84 HE3 LYS 84 10.744 -5.591 -9.359 565 HZ1 LYS 84 HZ1 LYS 84 11.380 -3.772 -8.143 566 HZ2 LYS 84 HZ2 LYS 84 11.278 -4.807 -6.889 567 HZ3 LYS 84 HZ3 LYS 84 12.730 -4.506 -7.581 568 H VAL 85 H VAL 85 9.624 -7.128 -4.174 569 HA VAL 85 HA VAL 85 12.195 -8.181 -3.881 570 HB VAL 85 HB VAL 85 10.364 -6.676 -2.008 571 HG11 VAL 85 HG11 VAL 85 13.352 -6.878 -1.650 572 HG12 VAL 85 HG12 VAL 85 12.108 -6.365 -0.485 573 HG13 VAL 85 HG13 VAL 85 12.258 -8.082 -0.928 574 HG21 VAL 85 HG21 VAL 85 11.262 -4.731 -2.829 575 HG22 VAL 85 HG22 VAL 85 12.805 -5.498 -3.275 576 HG23 VAL 85 HG23 VAL 85 11.363 -5.742 -4.290 577 H ILE 86 H ILE 86 9.006 -9.244 -2.769 578 HA ILE 86 HA ILE 86 10.021 -10.962 -0.739 579 HB ILE 86 HB ILE 86 7.355 -10.678 -2.111 580 HG12 ILE 86 HG12 ILE 86 8.293 -9.982 0.688 581 HG13 ILE 86 HG13 ILE 86 8.050 -8.841 -0.620 582 HG21 ILE 86 HG21 ILE 86 8.141 -12.587 0.105 583 HG22 ILE 86 HG22 ILE 86 6.466 -12.193 -0.353 584 HG23 ILE 86 HG23 ILE 86 7.541 -13.002 -1.519 585 HD11 ILE 86 HD11 ILE 86 6.012 -8.706 0.549 586 HD12 ILE 86 HD12 ILE 86 5.623 -9.863 -0.746 587 HD13 ILE 86 HD13 ILE 86 5.982 -10.452 0.895 588 H GLY 87 H GLY 87 8.108 -11.949 -3.647 589 HA2 GLY 87 HA2 GLY 87 9.678 -13.296 -5.226 590 HA3 GLY 87 HA3 GLY 87 9.798 -14.342 -3.825 591 H GLY 88 H GLY 88 7.207 -12.576 -5.679 592 HA2 GLY 88 HA2 GLY 88 5.104 -13.189 -6.211 593 HA3 GLY 88 HA3 GLY 88 5.841 -14.712 -6.664 594 H PHE 89 H PHE 89 4.172 -16.096 -5.977 595 HA PHE 89 HA PHE 89 3.770 -16.122 -3.070 596 HB2 PHE 89 HB2 PHE 89 1.877 -16.557 -5.448 597 HB3 PHE 89 HB3 PHE 89 1.450 -17.103 -3.838 598 HD1 PHE 89 HD2 PHE 89 2.277 -14.083 -5.818 599 HD2 PHE 89 HD1 PHE 89 0.548 -15.608 -2.256 600 HE1 PHE 89 HE2 PHE 89 1.358 -11.808 -5.291 601 HE2 PHE 89 HE1 PHE 89 -0.372 -13.333 -1.729 602 HZ PHE 89 HZ PHE 89 0.044 -11.460 -3.253 603 H ALA 90 H ALA 90 5.461 -17.714 -2.838 604 HA ALA 90 HA ALA 90 4.531 -20.371 -3.582 605 HB1 ALA 90 HB1 ALA 90 6.382 -19.159 -5.171 606 HB2 ALA 90 HB2 ALA 90 7.445 -19.896 -3.949 607 HB3 ALA 90 HB3 ALA 90 6.324 -20.915 -4.884 608 H GLY 91 H GLY 91 4.129 -21.042 -1.498 609 HA2 GLY 91 HA2 GLY 91 4.470 -21.385 0.716 610 HA3 GLY 91 HA3 GLY 91 6.003 -22.019 0.153 611 H THR 92 H THR 92 7.710 -21.224 1.291 612 HA THR 92 HA THR 92 7.498 -18.893 2.868 613 HB THR 92 HB THR 92 9.954 -19.376 3.227 614 HG1 THR 92 HG1 THR 92 10.877 -20.508 1.566 615 HG21 THR 92 HG21 THR 92 7.770 -21.291 3.622 616 HG22 THR 92 HG22 THR 92 9.303 -22.141 3.312 617 HG23 THR 92 HG23 THR 92 9.183 -20.984 4.659 618 H ALA 93 H ALA 93 9.366 -17.159 2.697 619 HA ALA 93 HA ALA 93 10.273 -16.428 0.161 620 HB1 ALA 93 HB1 ALA 93 7.834 -14.850 1.061 621 HB2 ALA 93 HB2 ALA 93 8.760 -14.653 -0.446 622 HB3 ALA 93 HB3 ALA 93 7.783 -16.118 -0.187 623 H LEU 94 H LEU 94 8.679 -14.503 2.796 624 HA LEU 94 HA LEU 94 11.369 -13.629 3.576 625 HB2 LEU 94 HB2 LEU 94 9.728 -12.044 2.176 626 HB3 LEU 94 HB3 LEU 94 9.105 -11.717 3.781 627 HG LEU 94 HG LEU 94 12.062 -11.564 3.404 628 HD11 LEU 94 HD11 LEU 94 10.386 -9.194 2.619 629 HD12 LEU 94 HD12 LEU 94 12.106 -9.523 2.302 630 HD13 LEU 94 HD13 LEU 94 10.851 -10.422 1.417 631 HD21 LEU 94 HD21 LEU 94 11.416 -9.413 4.845 632 HD22 LEU 94 HD22 LEU 94 9.978 -10.405 5.185 633 HD23 LEU 94 HD23 LEU 94 11.600 -11.031 5.562 634 H GLY 95 H GLY 95 11.025 -15.523 5.082 635 HA2 GLY 95 HA2 GLY 95 9.151 -14.876 7.263 636 HA3 GLY 95 HA3 GLY 95 9.845 -16.448 6.914 637 H ALA 96 H ALA 96 12.072 -16.908 7.480 638 HA ALA 96 HA ALA 96 13.102 -15.016 9.477 639 HB1 ALA 96 HB1 ALA 96 14.372 -17.487 9.820 640 HB2 ALA 96 HB2 ALA 96 13.032 -16.841 10.798 641 HB3 ALA 96 HB3 ALA 96 12.691 -17.912 9.418 642 H TRP 97 H TRP 97 13.650 -14.186 6.972 643 HA TRP 97 HA TRP 97 15.300 -13.643 5.601 644 HB2 TRP 97 HB2 TRP 97 16.562 -13.065 7.539 645 HB3 TRP 97 HB3 TRP 97 16.984 -14.736 7.853 646 HD1 TRP 97 HD1 TRP 97 18.041 -11.767 5.689 647 HE1 TRP 97 HE1 TRP 97 20.306 -12.240 4.420 648 HE3 TRP 97 HE3 TRP 97 18.277 -16.707 6.867 649 HZ2 TRP 97 HZ2 TRP 97 21.906 -14.576 4.060 650 HZ3 TRP 97 HZ3 TRP 97 20.223 -18.012 6.018 651 HH2 TRP 97 HH2 TRP 97 21.998 -17.024 4.659 652 H LEU 98 H LEU 98 15.281 -14.747 3.689 653 HA LEU 98 HA LEU 98 16.442 -17.435 3.713 654 HB2 LEU 98 HB2 LEU 98 13.811 -17.198 3.647 655 HB3 LEU 98 HB3 LEU 98 14.102 -16.852 1.954 656 HG LEU 98 HG LEU 98 15.619 -19.167 2.548 657 HD11 LEU 98 HD11 LEU 98 14.339 -19.496 4.577 658 HD12 LEU 98 HD12 LEU 98 12.811 -19.335 3.677 659 HD13 LEU 98 HD13 LEU 98 13.885 -20.721 3.368 660 HD21 LEU 98 HD21 LEU 98 14.090 -20.237 0.950 661 HD22 LEU 98 HD22 LEU 98 12.993 -18.840 1.069 662 HD23 LEU 98 HD23 LEU 98 14.626 -18.635 0.391 663 H GLY 99 H GLY 99 15.002 -15.127 1.304 664 HA2 GLY 99 HA2 GLY 99 15.846 -14.268 -0.593 665 HA3 GLY 99 HA3 GLY 99 17.374 -14.157 0.257 666 H SER 100 H SER 100 17.652 -14.598 -2.374 667 HA SER 100 HA SER 100 17.428 -17.223 -3.213 668 HB2 SER 100 HB2 SER 100 19.522 -15.222 -4.156 669 HB3 SER 100 HB3 SER 100 18.853 -16.559 -5.070 670 HG SER 100 HG SER 100 16.733 -15.471 -4.905 671 HA PRO 101 HA PRO 101 20.781 -18.835 -0.859 672 HB2 PRO 101 HB2 PRO 101 20.390 -21.472 -1.459 673 HB3 PRO 101 HB3 PRO 101 19.550 -20.651 -0.159 674 HG2 PRO 101 HG2 PRO 101 18.522 -21.455 -2.811 675 HG3 PRO 101 HG3 PRO 101 17.623 -21.033 -1.368 676 HD2 PRO 101 HD2 PRO 101 18.032 -19.384 -3.679 677 HD3 PRO 101 HD3 PRO 101 17.232 -18.922 -2.189 678 HA PRO 102 HA PRO 102 23.751 -18.969 -3.929 679 HB2 PRO 102 HB2 PRO 102 25.975 -18.931 -2.342 680 HB3 PRO 102 HB3 PRO 102 25.119 -17.481 -2.827 681 HG2 PRO 102 HG2 PRO 102 25.120 -18.842 -0.203 682 HG3 PRO 102 HG3 PRO 102 24.635 -17.203 -0.589 683 HD2 PRO 102 HD2 PRO 102 22.902 -19.430 -0.072 684 HD3 PRO 102 HD3 PRO 102 22.421 -17.820 -0.571 685 H SER 103 H SER 103 25.052 -20.417 -5.058 686 HA SER 103 HA SER 103 24.763 -23.062 -3.934 687 HB2 SER 103 HB2 SER 103 24.618 -21.962 -6.564 688 HB3 SER 103 HB3 SER 103 26.021 -23.011 -6.554 689 HG SER 103 HG SER 103 24.256 -24.310 -7.082 690 H SER 104 H SER 104 27.308 -21.070 -5.619 691 HA SER 104 HA SER 104 29.221 -22.065 -3.721 692 HB2 SER 104 HB2 SER 104 29.397 -22.613 -6.708 693 HB3 SER 104 HB3 SER 104 30.821 -22.612 -5.686 694 HG SER 104 HG SER 104 28.956 -24.584 -6.022
Contact the webmaster for help, if required. Saturday, May 11, 2024 9:28:01 AM GMT (wattos1)