NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
528024 | 2l83 | 17391 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 2.837 -10.216 3.389 2 H2 MET 1 2H MET 1 2.228 -9.385 4.761 3 H3 MET 1 3H MET 1 2.881 -8.506 3.443 4 HA MET 1 HA MET 1 1.126 -9.029 2.060 5 HB2 MET 1 1HB MET 1 -0.674 -10.616 2.898 6 HB3 MET 1 2HB MET 1 0.868 -11.356 2.492 7 HG2 MET 1 1HG MET 1 1.461 -11.536 4.805 8 HG3 MET 1 2HG MET 1 0.042 -10.607 5.288 9 HE1 MET 1 3HE MET 1 1.226 -13.148 6.286 10 HE2 MET 1 1HE MET 1 0.437 -14.673 5.882 11 HE3 MET 1 2HE MET 1 -0.353 -13.533 6.971 12 H GLU 2 H GLU 2 1.672 -7.026 4.038 13 HA GLU 2 HA GLU 2 -1.027 -6.057 4.449 14 HB2 GLU 2 1HB GLU 2 0.734 -5.884 6.853 15 HB3 GLU 2 2HB GLU 2 -1.019 -5.879 6.747 16 HG2 GLU 2 1HG GLU 2 -1.083 -8.239 6.422 17 HG3 GLU 2 2HG GLU 2 0.671 -8.318 6.248 18 H TRP 3 H TRP 3 -0.977 -3.765 5.330 19 HA TRP 3 HA TRP 3 1.499 -2.326 4.981 20 HB2 TRP 3 1HB TRP 3 -0.073 -0.775 3.338 21 HB3 TRP 3 2HB TRP 3 1.205 -1.852 2.811 22 HD1 TRP 3 HD TRP 3 -2.402 -2.825 3.855 23 HE1 TRP 3 HE1 TRP 3 -3.483 -4.077 1.884 24 HE3 TRP 3 HE3 TRP 3 1.368 -2.362 0.446 25 HZ2 TRP 3 HZ2 TRP 3 -2.824 -4.766 -0.775 26 HZ3 TRP 3 HZ3 TRP 3 1.063 -3.340 -1.792 27 HH2 TRP 3 HH TRP 3 -0.989 -4.516 -2.387 28 H LYS 4 H LYS 4 1.180 0.049 5.285 29 HA LYS 4 HA LYS 4 -1.161 0.716 6.917 30 HB2 LYS 4 1HB LYS 4 1.724 1.142 7.713 31 HB3 LYS 4 2HB LYS 4 0.364 1.912 8.515 32 HG2 LYS 4 1HG LYS 4 -0.516 -0.395 8.998 33 HG3 LYS 4 2HG LYS 4 1.030 -1.017 8.420 34 HD2 LYS 4 1HD LYS 4 1.276 -0.863 10.750 35 HD3 LYS 4 2HD LYS 4 2.106 0.559 10.115 36 HE2 LYS 4 1HE LYS 4 -0.110 1.786 10.481 37 HE3 LYS 4 2HE LYS 4 -0.578 0.393 11.458 38 HZ1 LYS 4 3HZ LYS 4 1.717 2.217 11.930 39 HZ2 LYS 4 1HZ LYS 4 1.450 0.790 12.801 40 HZ3 LYS 4 2HZ LYS 4 0.330 2.054 12.883 41 H LEU 5 H LEU 5 -1.513 3.066 7.080 42 HA LEU 5 HA LEU 5 0.060 4.674 5.221 43 HB2 LEU 5 1HB LEU 5 -2.098 3.476 4.218 44 HB3 LEU 5 2HB LEU 5 -2.882 4.882 4.912 45 HG LEU 5 HG LEU 5 -1.323 6.323 3.589 46 HD11 LEU 5 1HD1 LEU 5 0.308 4.308 3.329 47 HD12 LEU 5 2HD1 LEU 5 0.139 5.478 2.020 48 HD13 LEU 5 3HD1 LEU 5 -0.691 3.925 1.927 49 HD21 LEU 5 3HD2 LEU 5 -3.076 4.402 2.065 50 HD22 LEU 5 1HD2 LEU 5 -2.475 5.939 1.447 51 HD23 LEU 5 2HD2 LEU 5 -3.580 5.913 2.820 52 H PHE 6 H PHE 6 -0.424 6.965 5.306 53 HA PHE 6 HA PHE 6 -1.209 7.773 8.011 54 HB2 PHE 6 1HB PHE 6 0.946 8.492 6.447 55 HB3 PHE 6 2HB PHE 6 -0.150 9.851 6.230 56 HD1 PHE 6 HD1 PHE 6 1.632 7.838 8.764 57 HD2 PHE 6 HD2 PHE 6 -0.437 11.460 7.920 58 HE1 PHE 6 HE1 PHE 6 2.344 8.746 10.935 59 HE2 PHE 6 HE2 PHE 6 0.274 12.375 10.089 60 HZ PHE 6 HZ PHE 6 1.666 11.017 11.602 61 H ALA 7 H ALA 7 -2.261 10.072 8.046 62 HA ALA 7 HA ALA 7 -4.809 9.884 6.868 63 HB1 ALA 7 3HB ALA 7 -4.463 11.105 8.925 64 HB2 ALA 7 1HB ALA 7 -5.160 12.172 7.704 65 HB3 ALA 7 2HB ALA 7 -3.441 12.275 8.088 66 H ASP 8 H ASP 8 -1.846 11.094 5.596 67 HA ASP 8 HA ASP 8 -2.542 13.101 3.869 68 HB2 ASP 8 1HB ASP 8 -0.650 10.802 3.305 69 HB3 ASP 8 2HB ASP 8 -0.705 12.311 2.403 70 H LEU 9 H LEU 9 -2.953 9.627 3.391 71 HA LEU 9 HA LEU 9 -4.505 10.174 0.953 72 HB2 LEU 9 1HB LEU 9 -2.700 8.004 1.782 73 HB3 LEU 9 2HB LEU 9 -4.159 7.482 0.956 74 HG LEU 9 HG LEU 9 -3.565 9.111 -0.886 75 HD11 LEU 9 1HD1 LEU 9 -0.792 9.041 0.242 76 HD12 LEU 9 2HD1 LEU 9 -1.916 10.330 0.671 77 HD13 LEU 9 3HD1 LEU 9 -1.460 10.083 -1.013 78 HD21 LEU 9 3HD2 LEU 9 -2.912 6.511 -0.527 79 HD22 LEU 9 1HD2 LEU 9 -1.319 7.222 -0.791 80 HD23 LEU 9 2HD2 LEU 9 -2.588 7.423 -1.999 81 H ALA 10 H ALA 10 -4.614 8.596 4.104 82 HA ALA 10 HA ALA 10 -7.069 7.237 3.745 83 HB1 ALA 10 3HB ALA 10 -5.172 7.298 5.707 84 HB2 ALA 10 1HB ALA 10 -6.739 6.498 5.827 85 HB3 ALA 10 2HB ALA 10 -6.527 8.125 6.474 86 H GLU 11 H GLU 11 -6.463 10.566 3.949 87 HA GLU 11 HA GLU 11 -8.582 11.550 5.450 88 HB2 GLU 11 1HB GLU 11 -6.577 12.654 3.951 89 HB3 GLU 11 2HB GLU 11 -7.997 13.068 2.999 90 HG2 GLU 11 1HG GLU 11 -7.541 14.865 4.490 91 HG3 GLU 11 2HG GLU 11 -9.005 14.051 5.042 92 H VAL 12 H VAL 12 -8.524 10.519 2.054 93 HA VAL 12 HA VAL 12 -11.378 11.117 1.809 94 HB VAL 12 HB VAL 12 -9.582 10.078 -0.373 95 HG11 VAL 12 1HG1 VAL 12 -12.335 11.191 -0.221 96 HG12 VAL 12 2HG1 VAL 12 -11.708 9.852 -1.179 97 HG13 VAL 12 3HG1 VAL 12 -11.373 11.514 -1.662 98 HG21 VAL 12 3HG2 VAL 12 -8.567 12.109 0.436 99 HG22 VAL 12 1HG2 VAL 12 -10.121 12.940 0.417 100 HG23 VAL 12 2HG2 VAL 12 -9.368 12.443 -1.097 101 H ALA 13 H ALA 13 -9.171 8.373 1.165 102 HA ALA 13 HA ALA 13 -11.183 6.495 0.635 103 HB1 ALA 13 3HB ALA 13 -9.200 5.671 -0.077 104 HB2 ALA 13 1HB ALA 13 -9.229 4.893 1.505 105 HB3 ALA 13 2HB ALA 13 -8.298 6.372 1.267 106 H GLY 14 H GLY 14 -9.569 7.365 3.674 107 HA2 GLY 14 1HA GLY 14 -10.567 7.244 5.801 108 HA3 GLY 14 2HA GLY 14 -11.787 6.163 5.145 109 H SER 15 H SER 15 -9.311 4.725 3.858 110 HA SER 15 HA SER 15 -8.642 3.168 6.265 111 HB2 SER 15 1HB SER 15 -8.438 1.200 4.784 112 HB3 SER 15 2HB SER 15 -10.060 1.890 4.727 113 HG SER 15 HG SER 15 -8.342 1.509 2.718 114 H ARG 16 H ARG 16 -6.554 2.998 6.777 115 HA ARG 16 HA ARG 16 -4.575 3.923 4.821 116 HB2 ARG 16 1HB ARG 16 -3.196 4.052 7.098 117 HB3 ARG 16 2HB ARG 16 -4.202 5.375 6.535 118 HG2 ARG 16 1HG ARG 16 -5.453 3.336 8.294 119 HG3 ARG 16 2HG ARG 16 -4.304 4.462 9.016 120 HD2 ARG 16 1HD ARG 16 -5.595 6.344 8.255 121 HD3 ARG 16 2HD ARG 16 -6.688 5.285 7.363 122 HE ARG 16 HE ARG 16 -6.934 4.372 9.875 123 HH11 ARG 16 1HH1 ARG 16 -7.103 7.611 8.547 124 HH12 ARG 16 2HH1 ARG 16 -8.206 8.179 9.753 125 HH21 ARG 16 1HH2 ARG 16 -8.388 5.128 11.461 126 HH22 ARG 16 2HH2 ARG 16 -8.934 6.771 11.408 127 H THR 17 H THR 17 -4.803 1.684 7.606 128 HA THR 17 HA THR 17 -2.733 0.026 6.404 129 HB THR 17 HB THR 17 -2.480 -1.017 8.498 130 HG1 THR 17 HG1 THR 17 -4.485 -1.569 9.124 131 HG21 THR 17 3HG2 THR 17 -2.075 1.580 8.423 132 HG22 THR 17 1HG2 THR 17 -1.919 0.663 9.920 133 HG23 THR 17 2HG2 THR 17 -3.387 1.583 9.600 134 H VAL 18 H VAL 18 -3.061 -1.914 5.492 135 HA VAL 18 HA VAL 18 -5.671 -3.218 5.800 136 HB VAL 18 HB VAL 18 -4.431 -2.858 3.072 137 HG11 VAL 18 1HG1 VAL 18 -5.864 -4.679 2.970 138 HG12 VAL 18 2HG1 VAL 18 -6.891 -3.343 2.453 139 HG13 VAL 18 3HG1 VAL 18 -7.016 -3.964 4.099 140 HG21 VAL 18 3HG2 VAL 18 -6.051 -1.119 2.612 141 HG22 VAL 18 1HG2 VAL 18 -5.049 -0.655 3.988 142 HG23 VAL 18 2HG2 VAL 18 -6.689 -1.247 4.253 143 H ARG 19 H ARG 19 -5.653 -5.469 4.928 144 HA ARG 19 HA ARG 19 -2.961 -6.650 4.904 145 HB2 ARG 19 1HB ARG 19 -3.932 -8.593 6.190 146 HB3 ARG 19 2HB ARG 19 -3.748 -7.101 7.100 147 HG2 ARG 19 1HG ARG 19 -6.255 -6.741 6.364 148 HG3 ARG 19 2HG ARG 19 -6.216 -8.500 6.218 149 HD2 ARG 19 1HD ARG 19 -5.502 -8.707 8.520 150 HD3 ARG 19 2HD ARG 19 -5.403 -6.955 8.680 151 HE ARG 19 HE ARG 19 -7.671 -6.884 8.974 152 HH11 ARG 19 1HH1 ARG 19 -6.805 -10.030 7.690 153 HH12 ARG 19 2HH1 ARG 19 -8.391 -10.691 7.905 154 HH21 ARG 19 1HH2 ARG 19 -9.761 -7.759 9.249 155 HH22 ARG 19 2HH2 ARG 19 -10.071 -9.400 8.791 156 H VAL 20 H VAL 20 -2.735 -8.579 3.690 157 HA VAL 20 HA VAL 20 -4.826 -8.904 1.654 158 HB VAL 20 HB VAL 20 -1.981 -9.918 1.550 159 HG11 VAL 20 1HG1 VAL 20 -4.072 -10.748 0.060 160 HG12 VAL 20 2HG1 VAL 20 -2.406 -10.708 -0.518 161 HG13 VAL 20 3HG1 VAL 20 -3.509 -9.390 -0.912 162 HG21 VAL 20 3HG2 VAL 20 -2.729 -7.661 -0.173 163 HG22 VAL 20 1HG2 VAL 20 -1.244 -7.958 0.729 164 HG23 VAL 20 2HG2 VAL 20 -2.653 -7.282 1.546 165 H ASP 21 H ASP 21 -6.123 -10.587 1.779 166 HA ASP 21 HA ASP 21 -5.131 -13.125 2.864 167 HB2 ASP 21 1HB ASP 21 -7.273 -11.432 3.926 168 HB3 ASP 21 2HB ASP 21 -7.768 -13.096 3.651 169 H VAL 22 H VAL 22 -7.845 -11.543 1.223 170 HA VAL 22 HA VAL 22 -8.558 -13.980 -0.175 171 HB VAL 22 HB VAL 22 -10.319 -12.464 0.672 172 HG11 VAL 22 1HG1 VAL 22 -10.755 -10.343 -0.544 173 HG12 VAL 22 2HG1 VAL 22 -9.208 -10.539 -1.367 174 HG13 VAL 22 3HG1 VAL 22 -9.253 -10.327 0.382 175 HG21 VAL 22 3HG2 VAL 22 -10.449 -12.487 -2.332 176 HG22 VAL 22 1HG2 VAL 22 -11.763 -12.670 -1.170 177 HG23 VAL 22 2HG2 VAL 22 -10.583 -13.963 -1.375 178 H ASP 23 H ASP 23 -8.682 -14.128 -2.491 179 HA ASP 23 HA ASP 23 -6.716 -12.420 -3.869 180 HB2 ASP 23 1HB ASP 23 -7.195 -15.351 -3.923 181 HB3 ASP 23 2HB ASP 23 -6.785 -14.589 -5.456 182 H GLY 24 H GLY 24 -7.324 -11.362 -5.666 183 HA2 GLY 24 1HA GLY 24 -9.595 -12.229 -7.236 184 HA3 GLY 24 2HA GLY 24 -9.864 -10.737 -6.349 185 H ASP 25 H ASP 25 -10.113 -9.590 -8.322 186 HA ASP 25 HA ASP 25 -8.145 -9.557 -10.358 187 HB2 ASP 25 1HB ASP 25 -10.625 -8.135 -9.767 188 HB3 ASP 25 2HB ASP 25 -9.423 -7.105 -10.537 189 H ALA 26 H ALA 26 -8.553 -7.696 -7.403 190 HA ALA 26 HA ALA 26 -6.758 -5.611 -7.946 191 HB1 ALA 26 3HB ALA 26 -7.957 -6.788 -5.509 192 HB2 ALA 26 1HB ALA 26 -7.950 -5.119 -6.080 193 HB3 ALA 26 2HB ALA 26 -6.520 -5.788 -5.295 194 H THR 27 H THR 27 -4.673 -5.743 -8.414 195 HA THR 27 HA THR 27 -3.117 -8.087 -7.796 196 HB THR 27 HB THR 27 -1.446 -5.983 -8.728 197 HG1 THR 27 HG1 THR 27 -3.757 -6.250 -10.340 198 HG21 THR 27 3HG2 THR 27 -0.916 -8.111 -9.457 199 HG22 THR 27 1HG2 THR 27 -1.595 -7.345 -10.891 200 HG23 THR 27 2HG2 THR 27 -2.573 -8.467 -9.944 201 H VAL 28 H VAL 28 -0.708 -7.521 -7.030 202 HA VAL 28 HA VAL 28 -1.012 -6.594 -4.325 203 HB VAL 28 HB VAL 28 1.520 -7.024 -4.233 204 HG11 VAL 28 1HG1 VAL 28 0.880 -9.640 -4.617 205 HG12 VAL 28 2HG1 VAL 28 -0.712 -8.913 -4.405 206 HG13 VAL 28 3HG1 VAL 28 0.521 -8.718 -3.160 207 HG21 VAL 28 3HG2 VAL 28 2.539 -8.298 -5.939 208 HG22 VAL 28 1HG2 VAL 28 1.750 -6.952 -6.754 209 HG23 VAL 28 2HG2 VAL 28 1.009 -8.550 -6.773 210 H GLY 29 H GLY 29 0.525 -5.429 -7.287 211 HA2 GLY 29 1HA GLY 29 1.568 -3.104 -5.909 212 HA3 GLY 29 2HA GLY 29 1.779 -3.481 -7.609 213 H ASP 30 H ASP 30 -1.173 -3.973 -7.895 214 HA ASP 30 HA ASP 30 -1.958 -1.490 -8.870 215 HB2 ASP 30 1HB ASP 30 -3.075 -3.513 -9.578 216 HB3 ASP 30 2HB ASP 30 -3.645 -3.826 -7.943 217 H ALA 31 H ALA 31 -2.539 -2.948 -5.692 218 HA ALA 31 HA ALA 31 -4.003 -0.609 -4.768 219 HB1 ALA 31 3HB ALA 31 -3.774 -2.020 -2.536 220 HB2 ALA 31 1HB ALA 31 -3.448 -3.321 -3.681 221 HB3 ALA 31 2HB ALA 31 -4.966 -2.424 -3.770 222 H LEU 32 H LEU 32 -0.777 -1.916 -4.645 223 HA LEU 32 HA LEU 32 0.190 -0.523 -2.400 224 HB2 LEU 32 1HB LEU 32 1.392 -2.376 -3.518 225 HB3 LEU 32 2HB LEU 32 1.693 -1.331 -4.893 226 HG LEU 32 HG LEU 32 2.854 0.218 -3.147 227 HD11 LEU 32 1HD1 LEU 32 2.809 -2.429 -1.714 228 HD12 LEU 32 2HD1 LEU 32 2.187 -0.881 -1.141 229 HD13 LEU 32 3HD1 LEU 32 3.923 -1.116 -1.336 230 HD21 LEU 32 3HD2 LEU 32 3.814 -2.206 -4.535 231 HD22 LEU 32 1HD2 LEU 32 4.887 -1.524 -3.312 232 HD23 LEU 32 2HD2 LEU 32 4.350 -0.530 -4.665 233 H ASP 33 H ASP 33 0.506 0.281 -5.879 234 HA ASP 33 HA ASP 33 1.647 2.799 -5.529 235 HB2 ASP 33 1HB ASP 33 1.247 3.167 -7.815 236 HB3 ASP 33 2HB ASP 33 1.407 1.423 -7.676 237 H ALA 34 H ALA 34 -1.770 1.845 -5.639 238 HA ALA 34 HA ALA 34 -2.840 4.465 -5.620 239 HB1 ALA 34 3HB ALA 34 -4.934 3.472 -5.099 240 HB2 ALA 34 1HB ALA 34 -4.165 2.028 -4.446 241 HB3 ALA 34 2HB ALA 34 -4.099 2.356 -6.178 242 H LEU 35 H LEU 35 -2.311 2.112 -2.997 243 HA LEU 35 HA LEU 35 -3.112 3.800 -0.892 244 HB2 LEU 35 1HB LEU 35 -1.633 1.252 -1.144 245 HB3 LEU 35 2HB LEU 35 -1.341 2.159 0.327 246 HG LEU 35 HG LEU 35 -3.682 2.081 0.916 247 HD11 LEU 35 1HD1 LEU 35 -3.988 1.213 -1.887 248 HD12 LEU 35 2HD1 LEU 35 -5.063 2.169 -0.869 249 HD13 LEU 35 3HD1 LEU 35 -5.026 0.413 -0.708 250 HD21 LEU 35 3HD2 LEU 35 -3.975 -0.359 1.157 251 HD22 LEU 35 1HD2 LEU 35 -2.354 0.182 1.597 252 HD23 LEU 35 2HD2 LEU 35 -2.629 -0.608 0.044 253 H VAL 36 H VAL 36 -0.004 3.343 -2.508 254 HA VAL 36 HA VAL 36 1.612 4.729 -0.666 255 HB VAL 36 HB VAL 36 1.935 4.397 -3.655 256 HG11 VAL 36 1HG1 VAL 36 3.739 5.687 -1.629 257 HG12 VAL 36 2HG1 VAL 36 3.196 6.318 -3.185 258 HG13 VAL 36 3HG1 VAL 36 4.362 4.994 -3.127 259 HG21 VAL 36 3HG2 VAL 36 2.878 2.424 -3.213 260 HG22 VAL 36 1HG2 VAL 36 2.216 2.575 -1.586 261 HG23 VAL 36 2HG2 VAL 36 3.865 3.102 -1.920 262 H GLY 37 H GLY 37 0.016 5.909 -3.636 263 HA2 GLY 37 1HA GLY 37 -0.995 8.265 -2.790 264 HA3 GLY 37 2HA GLY 37 0.701 8.651 -3.012 265 H ALA 38 H ALA 38 -1.626 6.693 -4.854 266 HA ALA 38 HA ALA 38 -0.590 7.682 -7.347 267 HB1 ALA 38 3HB ALA 38 -2.059 6.170 -8.407 268 HB2 ALA 38 1HB ALA 38 -3.115 6.084 -6.998 269 HB3 ALA 38 2HB ALA 38 -1.511 5.356 -6.942 270 H HIS 39 H HIS 39 -3.877 7.776 -5.928 271 HA HIS 39 HA HIS 39 -4.372 10.468 -6.107 272 HB2 HIS 39 1HB HIS 39 -4.588 9.134 -8.706 273 HB3 HIS 39 2HB HIS 39 -5.995 10.083 -8.274 274 HD1 HIS 39 HD1 HIS 39 -4.385 12.401 -6.831 275 HD2 HIS 39 HD2 HIS 39 -3.586 10.856 -10.605 276 HE1 HIS 39 HE1 HIS 39 -3.154 14.220 -8.055 277 HE2 HIS 39 HE2 HIS 39 -2.567 13.210 -10.287 278 HA PRO 40 HA PRO 40 -8.739 8.193 -6.306 279 HB2 PRO 40 1HB PRO 40 -8.323 5.432 -6.025 280 HB3 PRO 40 2HB PRO 40 -8.898 6.273 -7.462 281 HG2 PRO 40 1HG PRO 40 -6.160 5.323 -6.790 282 HG3 PRO 40 2HG PRO 40 -6.966 5.403 -8.368 283 HD2 PRO 40 1HD PRO 40 -5.082 7.175 -7.675 284 HD3 PRO 40 2HD PRO 40 -6.498 7.665 -8.628 285 H ALA 41 H ALA 41 -5.909 7.055 -4.553 286 HA ALA 41 HA ALA 41 -7.191 6.110 -2.234 287 HB1 ALA 41 3HB ALA 41 -4.926 6.893 -1.166 288 HB2 ALA 41 1HB ALA 41 -4.452 7.120 -2.848 289 HB3 ALA 41 2HB ALA 41 -4.966 5.529 -2.283 290 H LEU 42 H LEU 42 -6.388 9.328 -3.377 291 HA LEU 42 HA LEU 42 -7.898 10.434 -1.111 292 HB2 LEU 42 1HB LEU 42 -6.317 12.193 -0.757 293 HB3 LEU 42 2HB LEU 42 -5.480 10.659 -0.642 294 HG LEU 42 HG LEU 42 -5.444 12.136 -3.245 295 HD11 LEU 42 1HD1 LEU 42 -4.193 13.001 -0.719 296 HD12 LEU 42 2HD1 LEU 42 -4.644 13.935 -2.145 297 HD13 LEU 42 3HD1 LEU 42 -3.153 12.993 -2.143 298 HD21 LEU 42 3HD2 LEU 42 -3.581 10.873 -3.703 299 HD22 LEU 42 1HD2 LEU 42 -4.489 9.758 -2.683 300 HD23 LEU 42 2HD2 LEU 42 -3.153 10.686 -2.003 301 H GLU 43 H GLU 43 -8.582 9.904 -3.937 302 HA GLU 43 HA GLU 43 -9.797 10.896 -5.573 303 HB2 GLU 43 1HB GLU 43 -10.163 12.578 -3.326 304 HB3 GLU 43 2HB GLU 43 -9.905 13.629 -4.712 305 HG2 GLU 43 1HG GLU 43 -11.917 13.183 -5.553 306 HG3 GLU 43 2HG GLU 43 -11.739 11.450 -5.285 307 H SER 44 H SER 44 -9.575 12.305 -7.412 308 HA SER 44 HA SER 44 -6.819 12.814 -8.051 309 HB2 SER 44 1HB SER 44 -7.764 13.527 -10.272 310 HB3 SER 44 2HB SER 44 -8.199 11.888 -9.783 311 HG SER 44 HG SER 44 -10.100 12.720 -10.366 312 H ARG 45 H ARG 45 -9.668 14.757 -7.314 313 HA ARG 45 HA ARG 45 -8.665 17.266 -8.100 314 HB2 ARG 45 1HB ARG 45 -10.691 16.558 -5.971 315 HB3 ARG 45 2HB ARG 45 -10.385 18.191 -6.544 316 HG2 ARG 45 1HG ARG 45 -11.368 15.905 -8.244 317 HG3 ARG 45 2HG ARG 45 -12.373 17.189 -7.569 318 HD2 ARG 45 1HD ARG 45 -10.470 18.649 -8.822 319 HD3 ARG 45 2HD ARG 45 -10.529 17.231 -9.867 320 HE ARG 45 HE ARG 45 -12.604 17.884 -10.587 321 HH11 ARG 45 1HH1 ARG 45 -11.788 19.706 -7.705 322 HH12 ARG 45 2HH1 ARG 45 -13.127 20.790 -7.862 323 HH21 ARG 45 1HH2 ARG 45 -14.373 19.314 -10.783 324 HH22 ARG 45 2HH2 ARG 45 -14.597 20.568 -9.610 325 H VAL 46 H VAL 46 -6.627 17.746 -7.428 326 HA VAL 46 HA VAL 46 -5.498 17.205 -4.946 327 HB VAL 46 HB VAL 46 -3.874 19.017 -5.503 328 HG11 VAL 46 1HG1 VAL 46 -3.054 17.076 -6.321 329 HG12 VAL 46 2HG1 VAL 46 -3.351 17.877 -7.865 330 HG13 VAL 46 3HG1 VAL 46 -4.520 16.718 -7.233 331 HG21 VAL 46 3HG2 VAL 46 -4.763 20.692 -6.728 332 HG22 VAL 46 1HG2 VAL 46 -5.940 19.635 -7.509 333 HG23 VAL 46 2HG2 VAL 46 -4.275 19.681 -8.085 334 H PHE 47 H PHE 47 -7.309 20.039 -6.058 335 HA PHE 47 HA PHE 47 -8.290 21.769 -4.976 336 HB2 PHE 47 1HB PHE 47 -8.514 19.530 -3.178 337 HB3 PHE 47 2HB PHE 47 -8.308 21.016 -2.256 338 HD1 PHE 47 HD2 PHE 47 -10.404 19.324 -4.774 339 HD2 PHE 47 HD1 PHE 47 -10.042 22.617 -2.100 340 HE1 PHE 47 HE2 PHE 47 -12.780 19.865 -5.122 341 HE2 PHE 47 HE1 PHE 47 -12.415 23.163 -2.444 342 HZ PHE 47 HZ PHE 47 -13.788 21.787 -3.957 343 H GLY 48 H GLY 48 -6.557 23.163 -5.362 344 HA2 GLY 48 1HA GLY 48 -5.391 24.954 -4.301 345 HA3 GLY 48 2HA GLY 48 -5.089 23.905 -2.926 346 H ASP 49 H ASP 49 -4.202 21.651 -4.527 347 HA ASP 49 HA ASP 49 -2.360 20.767 -5.486 348 HB2 ASP 49 1HB ASP 49 -2.347 23.506 -6.616 349 HB3 ASP 49 2HB ASP 49 -0.820 22.633 -6.676 350 H ASP 50 H ASP 50 -0.346 20.230 -4.780 351 HA ASP 50 HA ASP 50 0.785 21.911 -2.640 352 HB2 ASP 50 1HB ASP 50 -0.068 19.636 -2.004 353 HB3 ASP 50 2HB ASP 50 1.183 18.944 -3.033 354 H GLY 51 H GLY 51 1.506 20.236 -5.638 355 HA2 GLY 51 1HA GLY 51 3.465 21.631 -6.667 356 HA3 GLY 51 2HA GLY 51 4.355 20.852 -5.370 357 H GLU 52 H GLU 52 4.909 20.598 -8.153 358 HA GLU 52 HA GLU 52 4.672 17.694 -8.365 359 HB2 GLU 52 1HB GLU 52 3.512 19.660 -10.255 360 HB3 GLU 52 2HB GLU 52 4.371 18.306 -10.978 361 HG2 GLU 52 1HG GLU 52 2.508 17.133 -10.770 362 HG3 GLU 52 2HG GLU 52 2.782 17.142 -9.030 363 H LEU 53 H LEU 53 6.803 17.316 -8.047 364 HA LEU 53 HA LEU 53 8.579 17.600 -10.206 365 HB2 LEU 53 1HB LEU 53 10.242 19.123 -9.243 366 HB3 LEU 53 2HB LEU 53 8.721 19.927 -9.573 367 HG LEU 53 HG LEU 53 9.283 18.908 -6.816 368 HD11 LEU 53 1HD1 LEU 53 10.556 20.731 -6.204 369 HD12 LEU 53 2HD1 LEU 53 10.084 21.671 -7.619 370 HD13 LEU 53 3HD1 LEU 53 11.214 20.327 -7.789 371 HD21 LEU 53 3HD2 LEU 53 7.396 20.734 -8.140 372 HD22 LEU 53 1HD2 LEU 53 8.024 21.290 -6.589 373 HD23 LEU 53 2HD2 LEU 53 7.196 19.738 -6.699 374 H TYR 54 H TYR 54 8.366 17.246 -6.665 375 HA TYR 54 HA TYR 54 9.745 14.730 -6.818 376 HB2 TYR 54 1HB TYR 54 11.353 16.944 -6.494 377 HB3 TYR 54 2HB TYR 54 11.095 16.411 -4.837 378 HD1 TYR 54 HD2 TYR 54 11.908 14.221 -4.095 379 HD2 TYR 54 HD1 TYR 54 12.625 15.604 -8.054 380 HE1 TYR 54 HE2 TYR 54 13.634 12.494 -4.380 381 HE2 TYR 54 HE1 TYR 54 14.355 13.881 -8.350 382 HH TYR 54 HH TYR 54 14.657 11.299 -6.840 383 H ASP 55 H ASP 55 9.308 13.406 -5.089 384 HA ASP 55 HA ASP 55 8.032 14.530 -2.714 385 HB2 ASP 55 1HB ASP 55 6.665 12.921 -4.785 386 HB3 ASP 55 2HB ASP 55 6.380 12.410 -3.125 387 H HIS 56 H HIS 56 8.308 13.324 -0.872 388 HA HIS 56 HA HIS 56 9.988 10.922 -1.153 389 HB2 HIS 56 1HB HIS 56 10.919 12.988 0.042 390 HB3 HIS 56 2HB HIS 56 9.776 12.619 1.330 391 HD1 HIS 56 HD1 HIS 56 11.383 9.726 -0.350 392 HD2 HIS 56 HD2 HIS 56 12.007 12.085 3.014 393 HE1 HIS 56 HE1 HIS 56 13.049 8.474 1.048 394 HE2 HIS 56 HE2 HIS 56 13.465 9.949 3.048 395 H ILE 57 H ILE 57 9.348 9.033 -0.263 396 HA ILE 57 HA ILE 57 7.116 8.996 1.620 397 HB ILE 57 HB ILE 57 6.099 7.079 0.283 398 HG12 ILE 57 1HG1 ILE 57 7.159 8.264 -2.208 399 HG13 ILE 57 2HG1 ILE 57 8.317 7.317 -1.282 400 HG21 ILE 57 1HG2 ILE 57 5.924 9.710 -1.148 401 HG22 ILE 57 2HG2 ILE 57 5.264 9.484 0.473 402 HG23 ILE 57 3HG2 ILE 57 4.656 8.516 -0.871 403 HD11 ILE 57 3HD1 ILE 57 5.708 6.044 -1.629 404 HD12 ILE 57 1HD1 ILE 57 7.331 5.381 -1.801 405 HD13 ILE 57 2HD1 ILE 57 6.613 6.308 -3.120 406 H ASN 58 H ASN 58 7.832 7.843 3.291 407 HA ASN 58 HA ASN 58 9.868 5.806 2.877 408 HB2 ASN 58 1HB ASN 58 8.754 7.192 5.298 409 HB3 ASN 58 2HB ASN 58 9.693 5.712 5.469 410 HD21 ASN 58 2HD2 ASN 58 11.748 6.059 5.894 411 HD22 ASN 58 1HD2 ASN 58 12.691 7.399 5.348 412 H VAL 59 H VAL 59 9.594 3.648 3.182 413 HA VAL 59 HA VAL 59 6.974 2.684 4.091 414 HB VAL 59 HB VAL 59 6.956 2.739 1.619 415 HG11 VAL 59 1HG1 VAL 59 9.338 0.920 1.902 416 HG12 VAL 59 2HG1 VAL 59 9.245 2.468 1.061 417 HG13 VAL 59 3HG1 VAL 59 8.396 1.062 0.419 418 HG21 VAL 59 3HG2 VAL 59 6.264 0.411 1.263 419 HG22 VAL 59 1HG2 VAL 59 5.623 1.068 2.768 420 HG23 VAL 59 2HG2 VAL 59 6.998 -0.036 2.802 421 H LEU 60 H LEU 60 6.966 0.546 4.945 422 HA LEU 60 HA LEU 60 9.641 -0.435 5.689 423 HB2 LEU 60 1HB LEU 60 7.713 0.375 7.387 424 HB3 LEU 60 2HB LEU 60 7.264 -1.311 7.225 425 HG LEU 60 HG LEU 60 8.699 -0.904 9.181 426 HD11 LEU 60 1HD1 LEU 60 10.447 -2.631 8.632 427 HD12 LEU 60 2HD1 LEU 60 9.832 -2.616 6.980 428 HD13 LEU 60 3HD1 LEU 60 8.779 -3.102 8.310 429 HD21 LEU 60 3HD2 LEU 60 11.104 -0.493 7.516 430 HD22 LEU 60 1HD2 LEU 60 10.713 0.118 9.123 431 HD23 LEU 60 2HD2 LEU 60 10.023 0.889 7.695 432 H ARG 61 H ARG 61 10.232 -2.254 4.730 433 HA ARG 61 HA ARG 61 8.148 -4.197 3.973 434 HB2 ARG 61 1HB ARG 61 10.508 -3.171 2.459 435 HB3 ARG 61 2HB ARG 61 10.032 -4.846 2.220 436 HG2 ARG 61 1HG ARG 61 7.657 -3.798 1.864 437 HG3 ARG 61 2HG ARG 61 8.588 -2.343 1.509 438 HD2 ARG 61 1HD ARG 61 9.923 -4.235 0.059 439 HD3 ARG 61 2HD ARG 61 8.259 -4.804 -0.050 440 HE ARG 61 HE ARG 61 7.762 -3.015 -1.385 441 HH11 ARG 61 1HH1 ARG 61 10.840 -2.421 0.184 442 HH12 ARG 61 2HH1 ARG 61 11.195 -1.018 -0.764 443 HH21 ARG 61 1HH2 ARG 61 8.234 -1.157 -2.630 444 HH22 ARG 61 2HH2 ARG 61 9.714 -0.300 -2.363 445 H ASN 62 H ASN 62 8.587 -6.375 4.284 446 HA ASN 62 HA ASN 62 10.322 -7.022 6.437 447 HB2 ASN 62 1HB ASN 62 9.686 -9.409 5.873 448 HB3 ASN 62 2HB ASN 62 8.345 -8.327 6.220 449 HD21 ASN 62 2HD2 ASN 62 6.876 -9.598 5.093 450 HD22 ASN 62 1HD2 ASN 62 6.872 -9.693 3.368 451 H GLY 63 H GLY 63 10.934 -6.683 3.109 452 HA2 GLY 63 1HA GLY 63 13.267 -6.699 2.432 453 HA3 GLY 63 2HA GLY 63 13.481 -8.134 3.420 454 H GLU 64 H GLU 64 10.614 -7.845 1.471 455 HA GLU 64 HA GLU 64 11.611 -9.997 -0.249 456 HB2 GLU 64 1HB GLU 64 9.346 -9.928 1.215 457 HB3 GLU 64 2HB GLU 64 8.743 -9.245 -0.288 458 HG2 GLU 64 1HG GLU 64 9.244 -11.188 -1.499 459 HG3 GLU 64 2HG GLU 64 10.277 -11.821 -0.218 460 H ALA 65 H ALA 65 10.748 -9.982 -2.508 461 HA ALA 65 HA ALA 65 11.463 -7.548 -3.793 462 HB1 ALA 65 3HB ALA 65 12.013 -9.282 -5.153 463 HB2 ALA 65 1HB ALA 65 10.415 -8.937 -5.816 464 HB3 ALA 65 2HB ALA 65 10.626 -10.254 -4.662 465 H ALA 66 H ALA 66 10.231 -5.857 -4.278 466 HA ALA 66 HA ALA 66 7.512 -5.689 -3.542 467 HB1 ALA 66 3HB ALA 66 9.456 -3.915 -4.893 468 HB2 ALA 66 1HB ALA 66 8.397 -3.603 -3.517 469 HB3 ALA 66 2HB ALA 66 7.749 -3.565 -5.158 470 H ALA 67 H ALA 67 6.233 -7.197 -4.541 471 HA ALA 67 HA ALA 67 6.250 -7.484 -7.426 472 HB1 ALA 67 3HB ALA 67 5.966 -9.449 -5.978 473 HB2 ALA 67 1HB ALA 67 4.596 -9.230 -7.068 474 HB3 ALA 67 2HB ALA 67 4.454 -8.771 -5.371 475 H LEU 68 H LEU 68 4.490 -7.028 -8.802 476 HA LEU 68 HA LEU 68 2.455 -5.225 -7.679 477 HB2 LEU 68 1HB LEU 68 4.057 -3.872 -8.871 478 HB3 LEU 68 2HB LEU 68 3.953 -4.919 -10.269 479 HG LEU 68 HG LEU 68 1.480 -3.528 -9.335 480 HD11 LEU 68 1HD1 LEU 68 2.913 -1.674 -9.360 481 HD12 LEU 68 2HD1 LEU 68 2.130 -1.667 -10.941 482 HD13 LEU 68 3HD1 LEU 68 3.784 -2.258 -10.779 483 HD21 LEU 68 3HD2 LEU 68 2.443 -4.916 -11.730 484 HD22 LEU 68 1HD2 LEU 68 1.568 -3.419 -12.052 485 HD23 LEU 68 2HD2 LEU 68 0.802 -4.703 -11.118 486 H GLY 69 H GLY 69 3.178 -6.964 -10.728 487 HA2 GLY 69 1HA GLY 69 0.347 -7.426 -11.159 488 HA3 GLY 69 2HA GLY 69 1.654 -7.866 -12.244 489 H GLU 70 H GLU 70 1.122 -8.733 -8.826 490 HA GLU 70 HA GLU 70 0.516 -11.475 -9.551 491 HB2 GLU 70 1HB GLU 70 2.965 -10.779 -7.915 492 HB3 GLU 70 2HB GLU 70 2.332 -12.401 -8.151 493 HG2 GLU 70 1HG GLU 70 2.673 -12.024 -10.631 494 HG3 GLU 70 2HG GLU 70 3.591 -10.588 -10.181 495 H ALA 71 H ALA 71 -1.471 -10.540 -8.515 496 HA ALA 71 HA ALA 71 -1.689 -9.732 -5.881 497 HB1 ALA 71 3HB ALA 71 -3.934 -9.943 -6.141 498 HB2 ALA 71 1HB ALA 71 -3.810 -11.534 -6.891 499 HB3 ALA 71 2HB ALA 71 -3.462 -10.085 -7.835 500 H THR 72 H THR 72 -1.138 -12.955 -7.123 501 HA THR 72 HA THR 72 -1.666 -14.197 -4.546 502 HB THR 72 HB THR 72 -0.745 -16.243 -5.997 503 HG1 THR 72 HG1 THR 72 -0.200 -15.055 -7.814 504 HG21 THR 72 3HG2 THR 72 -3.453 -15.200 -6.717 505 HG22 THR 72 1HG2 THR 72 -3.103 -15.822 -5.106 506 HG23 THR 72 2HG2 THR 72 -2.919 -16.867 -6.514 507 H ALA 73 H ALA 73 0.513 -12.307 -4.666 508 HA ALA 73 HA ALA 73 2.999 -13.703 -4.815 509 HB1 ALA 73 3HB ALA 73 3.936 -11.628 -3.824 510 HB2 ALA 73 1HB ALA 73 2.293 -11.016 -3.640 511 HB3 ALA 73 2HB ALA 73 2.941 -11.336 -5.249 512 H ALA 74 H ALA 74 4.527 -13.407 -2.792 513 HA ALA 74 HA ALA 74 3.183 -14.769 -0.564 514 HB1 ALA 74 3HB ALA 74 4.985 -16.040 -1.486 515 HB2 ALA 74 1HB ALA 74 5.494 -15.442 0.093 516 HB3 ALA 74 2HB ALA 74 6.083 -14.664 -1.376 517 H GLY 75 H GLY 75 3.040 -11.856 -0.889 518 HA2 GLY 75 1HA GLY 75 2.887 -10.612 1.289 519 HA3 GLY 75 2HA GLY 75 4.587 -11.014 1.481 520 H ASP 76 H ASP 76 3.548 -8.380 1.534 521 HA ASP 76 HA ASP 76 4.804 -7.280 -0.890 522 HB2 ASP 76 1HB ASP 76 2.212 -6.621 0.384 523 HB3 ASP 76 2HB ASP 76 3.170 -5.257 -0.182 524 H GLU 77 H GLU 77 3.622 -5.786 2.101 525 HA GLU 77 HA GLU 77 6.353 -5.170 2.911 526 HB2 GLU 77 1HB GLU 77 5.940 -2.784 3.089 527 HB3 GLU 77 2HB GLU 77 5.647 -3.307 1.439 528 HG2 GLU 77 1HG GLU 77 3.205 -3.403 2.009 529 HG3 GLU 77 2HG GLU 77 3.608 -2.627 3.538 530 H LEU 78 H LEU 78 5.692 -3.291 4.905 531 HA LEU 78 HA LEU 78 3.987 -4.894 6.701 532 HB2 LEU 78 1HB LEU 78 6.698 -3.766 7.061 533 HB3 LEU 78 2HB LEU 78 5.612 -3.577 8.423 534 HG LEU 78 HG LEU 78 6.907 -5.556 8.772 535 HD11 LEU 78 1HD1 LEU 78 4.409 -5.567 9.252 536 HD12 LEU 78 2HD1 LEU 78 5.222 -7.130 9.178 537 HD13 LEU 78 3HD1 LEU 78 4.252 -6.574 7.814 538 HD21 LEU 78 3HD2 LEU 78 6.325 -6.033 5.915 539 HD22 LEU 78 1HD2 LEU 78 6.377 -7.453 6.959 540 HD23 LEU 78 2HD2 LEU 78 7.774 -6.381 6.856 541 H ALA 79 H ALA 79 5.230 -1.641 5.983 542 HA ALA 79 HA ALA 79 2.655 -0.481 6.581 543 HB1 ALA 79 3HB ALA 79 3.776 1.210 8.165 544 HB2 ALA 79 1HB ALA 79 5.051 0.001 8.328 545 HB3 ALA 79 2HB ALA 79 3.398 -0.392 8.798 546 H LEU 80 H LEU 80 2.749 1.976 6.227 547 HA LEU 80 HA LEU 80 4.917 2.930 4.574 548 HB2 LEU 80 1HB LEU 80 3.194 1.616 3.133 549 HB3 LEU 80 2HB LEU 80 2.176 3.025 3.359 550 HG LEU 80 HG LEU 80 4.937 3.517 2.385 551 HD11 LEU 80 1HD1 LEU 80 4.523 1.693 0.975 552 HD12 LEU 80 2HD1 LEU 80 4.059 3.105 0.026 553 HD13 LEU 80 3HD1 LEU 80 2.819 2.109 0.790 554 HD21 LEU 80 3HD2 LEU 80 4.046 5.435 1.586 555 HD22 LEU 80 1HD2 LEU 80 2.801 5.098 2.789 556 HD23 LEU 80 2HD2 LEU 80 2.538 4.660 1.101 557 H PHE 81 H PHE 81 5.271 4.957 5.146 558 HA PHE 81 HA PHE 81 3.063 6.779 5.626 559 HB2 PHE 81 1HB PHE 81 4.112 7.523 7.823 560 HB3 PHE 81 2HB PHE 81 3.268 5.978 7.849 561 HD1 PHE 81 HD1 PHE 81 4.707 3.857 7.587 562 HD2 PHE 81 HD2 PHE 81 6.297 7.679 8.582 563 HE1 PHE 81 HE1 PHE 81 6.719 2.778 8.501 564 HE2 PHE 81 HE2 PHE 81 8.311 6.604 9.497 565 HZ PHE 81 HZ PHE 81 8.527 4.152 9.457 566 HA PRO 82 HA PRO 82 6.058 9.436 3.702 567 HB2 PRO 82 1HB PRO 82 4.652 11.723 3.717 568 HB3 PRO 82 2HB PRO 82 4.203 10.363 2.681 569 HG2 PRO 82 1HG PRO 82 3.025 11.227 5.293 570 HG3 PRO 82 2HG PRO 82 2.207 10.650 3.830 571 HD2 PRO 82 1HD PRO 82 2.723 9.088 6.035 572 HD3 PRO 82 2HD PRO 82 2.497 8.454 4.396 573 HA PRO 83 HA PRO 83 8.426 11.268 6.977 574 HB2 PRO 83 1HB PRO 83 9.169 13.308 4.947 575 HB3 PRO 83 2HB PRO 83 10.204 12.273 5.935 576 HG2 PRO 83 1HG PRO 83 9.854 11.777 3.342 577 HG3 PRO 83 2HG PRO 83 9.966 10.457 4.518 578 HD2 PRO 83 1HD PRO 83 7.561 11.578 3.149 579 HD3 PRO 83 2HD PRO 83 7.939 9.895 3.574 580 H VAL 84 H VAL 84 8.241 12.912 8.459 581 HA VAL 84 HA VAL 84 7.052 15.432 7.862 582 HB VAL 84 HB VAL 84 5.010 14.062 7.875 583 HG11 VAL 84 1HG1 VAL 84 5.094 13.581 10.778 584 HG12 VAL 84 2HG1 VAL 84 6.172 12.581 9.806 585 HG13 VAL 84 3HG1 VAL 84 4.439 12.586 9.477 586 HG21 VAL 84 3HG2 VAL 84 5.510 16.259 9.769 587 HG22 VAL 84 1HG2 VAL 84 4.031 15.341 10.047 588 HG23 VAL 84 2HG2 VAL 84 4.310 16.112 8.486 589 H SER 85 H SER 85 8.094 16.806 9.129 590 HA SER 85 HA SER 85 8.538 16.152 11.944 591 HB2 SER 85 1HB SER 85 10.657 16.568 9.892 592 HB3 SER 85 2HB SER 85 10.910 17.311 11.471 593 HG SER 85 HG SER 85 11.516 15.407 12.092 594 H GLY 86 H GLY 86 8.319 17.872 13.287 595 HA2 GLY 86 1HA GLY 86 8.585 20.225 13.770 596 HA3 GLY 86 2HA GLY 86 8.258 20.561 12.078 597 H GLY 87 H GLY 87 5.985 19.011 11.667 598 HA2 GLY 87 1HA GLY 87 3.775 18.681 12.576 599 HA3 GLY 87 2HA GLY 87 4.048 20.065 13.622 Start of MODEL 2 1 H1 MET 1 1H MET 1 2.333 -9.798 3.577 2 H2 MET 1 2H MET 1 1.839 -8.674 4.774 3 H3 MET 1 3H MET 1 2.148 -8.145 3.172 4 HA MET 1 HA MET 1 0.277 -9.126 2.333 5 HB2 MET 1 1HB MET 1 -1.099 -10.674 3.822 6 HB3 MET 1 2HB MET 1 0.434 -11.307 3.243 7 HG2 MET 1 1HG MET 1 1.415 -10.577 5.462 8 HG3 MET 1 2HG MET 1 -0.246 -10.319 5.994 9 HE1 MET 1 3HE MET 1 -0.383 -13.542 7.835 10 HE2 MET 1 1HE MET 1 -1.347 -12.124 7.419 11 HE3 MET 1 2HE MET 1 0.306 -11.926 8.000 12 H GLU 2 H GLU 2 0.786 -6.673 3.608 13 HA GLU 2 HA GLU 2 -1.890 -5.892 4.283 14 HB2 GLU 2 1HB GLU 2 -1.057 -4.784 6.466 15 HB3 GLU 2 2HB GLU 2 -1.435 -6.500 6.490 16 HG2 GLU 2 1HG GLU 2 0.758 -7.127 6.681 17 HG3 GLU 2 2HG GLU 2 1.362 -5.653 5.925 18 H TRP 3 H TRP 3 -1.887 -3.458 4.905 19 HA TRP 3 HA TRP 3 0.333 -1.947 3.815 20 HB2 TRP 3 1HB TRP 3 -2.266 -1.142 2.630 21 HB3 TRP 3 2HB TRP 3 -0.651 -1.078 1.945 22 HD1 TRP 3 HD TRP 3 -3.242 -3.866 2.775 23 HE1 TRP 3 HE1 TRP 3 -3.189 -5.579 0.859 24 HE3 TRP 3 HE3 TRP 3 0.459 -1.784 -0.069 25 HZ2 TRP 3 HZ2 TRP 3 -1.766 -5.993 -1.549 26 HZ3 TRP 3 HZ3 TRP 3 1.104 -2.899 -2.165 27 HH2 TRP 3 HH TRP 3 0.015 -4.960 -2.887 28 H LYS 4 H LYS 4 0.437 0.118 4.621 29 HA LYS 4 HA LYS 4 -1.843 1.119 6.170 30 HB2 LYS 4 1HB LYS 4 0.824 0.374 7.212 31 HB3 LYS 4 2HB LYS 4 0.200 1.921 7.762 32 HG2 LYS 4 1HG LYS 4 -1.729 0.898 8.706 33 HG3 LYS 4 2HG LYS 4 -1.345 -0.651 7.954 34 HD2 LYS 4 1HD LYS 4 0.836 -0.543 9.303 35 HD3 LYS 4 2HD LYS 4 0.041 0.728 10.234 36 HE2 LYS 4 1HE LYS 4 -1.607 -0.729 11.033 37 HE3 LYS 4 2HE LYS 4 -1.271 -1.933 9.789 38 HZ1 LYS 4 3HZ LYS 4 0.913 -1.291 11.611 39 HZ2 LYS 4 1HZ LYS 4 0.457 -2.780 10.945 40 HZ3 LYS 4 2HZ LYS 4 -0.388 -2.150 12.267 41 H LEU 5 H LEU 5 -1.861 3.417 6.448 42 HA LEU 5 HA LEU 5 0.203 4.927 5.054 43 HB2 LEU 5 1HB LEU 5 -2.272 4.275 3.829 44 HB3 LEU 5 2HB LEU 5 -2.292 5.993 4.185 45 HG LEU 5 HG LEU 5 -0.065 4.630 2.677 46 HD11 LEU 5 1HD1 LEU 5 -2.500 6.074 1.657 47 HD12 LEU 5 2HD1 LEU 5 -2.050 4.393 1.370 48 HD13 LEU 5 3HD1 LEU 5 -1.084 5.695 0.678 49 HD21 LEU 5 3HD2 LEU 5 0.756 6.630 3.581 50 HD22 LEU 5 1HD2 LEU 5 -0.755 7.489 3.281 51 HD23 LEU 5 2HD2 LEU 5 0.289 7.043 1.932 52 H PHE 6 H PHE 6 0.252 7.136 5.514 53 HA PHE 6 HA PHE 6 -0.821 7.811 8.110 54 HB2 PHE 6 1HB PHE 6 1.537 8.368 6.966 55 HB3 PHE 6 2HB PHE 6 0.664 9.819 6.486 56 HD1 PHE 6 HD1 PHE 6 0.460 7.847 9.638 57 HD2 PHE 6 HD2 PHE 6 1.544 11.520 7.781 58 HE1 PHE 6 HE1 PHE 6 0.892 8.833 11.850 59 HE2 PHE 6 HE2 PHE 6 1.980 12.512 9.990 60 HZ PHE 6 HZ PHE 6 1.654 11.167 12.027 61 H ALA 7 H ALA 7 -1.357 10.411 8.142 62 HA ALA 7 HA ALA 7 -3.956 10.644 7.154 63 HB1 ALA 7 3HB ALA 7 -2.056 12.805 8.045 64 HB2 ALA 7 1HB ALA 7 -3.226 11.942 9.044 65 HB3 ALA 7 2HB ALA 7 -3.784 13.029 7.773 66 H ASP 8 H ASP 8 -0.948 11.201 5.539 67 HA ASP 8 HA ASP 8 -1.454 13.152 3.695 68 HB2 ASP 8 1HB ASP 8 0.489 11.240 3.981 69 HB3 ASP 8 2HB ASP 8 -0.282 10.744 2.477 70 H LEU 9 H LEU 9 -2.550 9.795 3.576 71 HA LEU 9 HA LEU 9 -4.240 10.450 1.262 72 HB2 LEU 9 1HB LEU 9 -3.055 7.912 2.294 73 HB3 LEU 9 2HB LEU 9 -4.527 7.843 1.343 74 HG LEU 9 HG LEU 9 -3.117 9.336 -0.327 75 HD11 LEU 9 1HD1 LEU 9 -1.200 8.802 1.621 76 HD12 LEU 9 2HD1 LEU 9 -0.932 9.472 0.012 77 HD13 LEU 9 3HD1 LEU 9 -0.801 7.733 0.276 78 HD21 LEU 9 3HD2 LEU 9 -3.704 6.554 -0.067 79 HD22 LEU 9 1HD2 LEU 9 -2.113 6.746 -0.804 80 HD23 LEU 9 2HD2 LEU 9 -3.519 7.520 -1.530 81 H ALA 10 H ALA 10 -4.309 9.342 4.595 82 HA ALA 10 HA ALA 10 -7.065 8.602 4.612 83 HB1 ALA 10 3HB ALA 10 -4.960 8.970 6.676 84 HB2 ALA 10 1HB ALA 10 -5.982 7.573 6.333 85 HB3 ALA 10 2HB ALA 10 -6.647 8.962 7.191 86 H GLU 11 H GLU 11 -5.681 11.620 4.293 87 HA GLU 11 HA GLU 11 -7.237 13.209 6.024 88 HB2 GLU 11 1HB GLU 11 -5.294 13.636 4.001 89 HB3 GLU 11 2HB GLU 11 -6.695 14.610 3.581 90 HG2 GLU 11 1HG GLU 11 -6.592 15.352 6.069 91 HG3 GLU 11 2HG GLU 11 -4.931 14.769 5.978 92 H VAL 12 H VAL 12 -7.832 11.933 2.790 93 HA VAL 12 HA VAL 12 -10.418 13.297 2.674 94 HB VAL 12 HB VAL 12 -9.198 11.547 0.542 95 HG11 VAL 12 1HG1 VAL 12 -11.736 12.526 0.764 96 HG12 VAL 12 2HG1 VAL 12 -10.941 12.097 -0.750 97 HG13 VAL 12 3HG1 VAL 12 -10.947 13.773 -0.201 98 HG21 VAL 12 3HG2 VAL 12 -8.593 14.336 1.309 99 HG22 VAL 12 1HG2 VAL 12 -8.814 14.026 -0.413 100 HG23 VAL 12 2HG2 VAL 12 -7.590 13.138 0.493 101 H ALA 13 H ALA 13 -9.080 9.990 2.493 102 HA ALA 13 HA ALA 13 -11.696 8.794 2.434 103 HB1 ALA 13 3HB ALA 13 -8.906 7.823 2.335 104 HB2 ALA 13 1HB ALA 13 -10.300 7.386 1.348 105 HB3 ALA 13 2HB ALA 13 -10.113 6.702 2.962 106 H GLY 14 H GLY 14 -9.107 9.081 4.853 107 HA2 GLY 14 1HA GLY 14 -9.804 9.508 7.170 108 HA3 GLY 14 2HA GLY 14 -11.086 8.332 6.917 109 H SER 15 H SER 15 -9.286 6.528 5.413 110 HA SER 15 HA SER 15 -7.127 5.769 7.105 111 HB2 SER 15 1HB SER 15 -9.345 5.055 8.327 112 HB3 SER 15 2HB SER 15 -9.330 3.737 7.155 113 HG SER 15 HG SER 15 -7.467 4.337 9.183 114 H ARG 16 H ARG 16 -5.710 5.004 5.682 115 HA ARG 16 HA ARG 16 -6.711 3.494 3.363 116 HB2 ARG 16 1HB ARG 16 -4.589 5.493 3.712 117 HB3 ARG 16 2HB ARG 16 -4.087 4.087 2.786 118 HG2 ARG 16 1HG ARG 16 -6.473 5.819 2.176 119 HG3 ARG 16 2HG ARG 16 -4.913 5.881 1.354 120 HD2 ARG 16 1HD ARG 16 -5.836 4.438 -0.090 121 HD3 ARG 16 2HD ARG 16 -5.539 3.233 1.162 122 HE ARG 16 HE ARG 16 -7.993 4.329 1.754 123 HH11 ARG 16 1HH1 ARG 16 -6.593 2.615 -0.960 124 HH12 ARG 16 2HH1 ARG 16 -8.098 1.913 -1.450 125 HH21 ARG 16 1HH2 ARG 16 -9.971 3.397 1.106 126 HH22 ARG 16 2HH2 ARG 16 -10.014 2.356 -0.279 127 H THR 17 H THR 17 -6.239 2.372 6.045 128 HA THR 17 HA THR 17 -3.904 0.670 5.617 129 HB THR 17 HB THR 17 -4.047 0.048 7.900 130 HG1 THR 17 HG1 THR 17 -6.684 1.048 7.789 131 HG21 THR 17 3HG2 THR 17 -4.032 2.790 7.247 132 HG22 THR 17 1HG2 THR 17 -3.314 1.985 8.642 133 HG23 THR 17 2HG2 THR 17 -4.965 2.595 8.730 134 H VAL 18 H VAL 18 -4.199 -1.139 4.492 135 HA VAL 18 HA VAL 18 -6.745 -2.597 4.817 136 HB VAL 18 HB VAL 18 -5.091 -2.703 2.301 137 HG11 VAL 18 1HG1 VAL 18 -7.843 -3.557 3.108 138 HG12 VAL 18 2HG1 VAL 18 -6.586 -4.471 2.274 139 HG13 VAL 18 3HG1 VAL 18 -7.479 -3.214 1.417 140 HG21 VAL 18 3HG2 VAL 18 -7.159 -1.141 1.566 141 HG22 VAL 18 1HG2 VAL 18 -5.588 -0.511 2.058 142 HG23 VAL 18 2HG2 VAL 18 -6.916 -0.571 3.216 143 H ARG 19 H ARG 19 -6.591 -4.949 4.388 144 HA ARG 19 HA ARG 19 -3.927 -6.045 5.012 145 HB2 ARG 19 1HB ARG 19 -5.195 -7.840 6.313 146 HB3 ARG 19 2HB ARG 19 -5.077 -6.253 7.058 147 HG2 ARG 19 1HG ARG 19 -7.282 -6.051 7.150 148 HG3 ARG 19 2HG ARG 19 -7.452 -6.441 5.438 149 HD2 ARG 19 1HD ARG 19 -8.098 -8.533 5.880 150 HD3 ARG 19 2HD ARG 19 -6.795 -8.772 7.042 151 HE ARG 19 HE ARG 19 -9.516 -8.045 7.610 152 HH11 ARG 19 1HH1 ARG 19 -6.222 -7.935 8.789 153 HH12 ARG 19 2HH1 ARG 19 -6.689 -7.792 10.450 154 HH21 ARG 19 1HH2 ARG 19 -10.128 -7.843 9.798 155 HH22 ARG 19 2HH2 ARG 19 -8.909 -7.739 11.023 156 H VAL 20 H VAL 20 -3.508 -8.177 4.223 157 HA VAL 20 HA VAL 20 -5.121 -8.836 1.857 158 HB VAL 20 HB VAL 20 -2.372 -9.882 2.528 159 HG11 VAL 20 1HG1 VAL 20 -2.544 -9.966 -0.148 160 HG12 VAL 20 2HG1 VAL 20 -4.244 -10.189 0.262 161 HG13 VAL 20 3HG1 VAL 20 -3.031 -11.302 0.895 162 HG21 VAL 20 3HG2 VAL 20 -1.382 -8.176 1.285 163 HG22 VAL 20 1HG2 VAL 20 -2.588 -7.337 2.258 164 HG23 VAL 20 2HG2 VAL 20 -2.912 -7.686 0.559 165 H ASP 21 H ASP 21 -6.471 -10.490 1.979 166 HA ASP 21 HA ASP 21 -5.890 -12.673 3.868 167 HB2 ASP 21 1HB ASP 21 -8.343 -11.099 3.371 168 HB3 ASP 21 2HB ASP 21 -8.575 -12.829 3.574 169 H VAL 22 H VAL 22 -7.641 -11.847 0.899 170 HA VAL 22 HA VAL 22 -7.311 -14.621 -0.035 171 HB VAL 22 HB VAL 22 -9.224 -12.560 -1.140 172 HG11 VAL 22 1HG1 VAL 22 -10.344 -14.747 -1.937 173 HG12 VAL 22 2HG1 VAL 22 -8.770 -15.482 -1.634 174 HG13 VAL 22 3HG1 VAL 22 -8.920 -14.163 -2.796 175 HG21 VAL 22 3HG2 VAL 22 -10.853 -14.299 0.088 176 HG22 VAL 22 1HG2 VAL 22 -10.251 -12.832 0.861 177 HG23 VAL 22 2HG2 VAL 22 -9.469 -14.380 1.178 178 H ASP 23 H ASP 23 -6.159 -15.040 -1.849 179 HA ASP 23 HA ASP 23 -5.153 -12.723 -3.375 180 HB2 ASP 23 1HB ASP 23 -3.218 -14.302 -3.976 181 HB3 ASP 23 2HB ASP 23 -3.241 -13.638 -2.350 182 H GLY 24 H GLY 24 -4.861 -12.973 -5.643 183 HA2 GLY 24 1HA GLY 24 -5.282 -15.095 -7.270 184 HA3 GLY 24 2HA GLY 24 -6.917 -14.612 -6.847 185 H ASP 25 H ASP 25 -7.603 -12.437 -7.408 186 HA ASP 25 HA ASP 25 -6.573 -11.680 -9.999 187 HB2 ASP 25 1HB ASP 25 -8.824 -10.457 -8.387 188 HB3 ASP 25 2HB ASP 25 -8.464 -10.122 -10.076 189 H ALA 26 H ALA 26 -6.909 -10.143 -6.812 190 HA ALA 26 HA ALA 26 -5.784 -7.666 -7.517 191 HB1 ALA 26 3HB ALA 26 -5.197 -7.797 -4.896 192 HB2 ALA 26 1HB ALA 26 -6.410 -9.074 -5.000 193 HB3 ALA 26 2HB ALA 26 -6.807 -7.435 -5.517 194 H THR 27 H THR 27 -3.798 -7.262 -8.221 195 HA THR 27 HA THR 27 -1.634 -9.125 -7.741 196 HB THR 27 HB THR 27 -0.911 -6.610 -9.038 197 HG1 THR 27 HG1 THR 27 -2.953 -8.197 -10.207 198 HG21 THR 27 3HG2 THR 27 0.210 -8.951 -9.114 199 HG22 THR 27 1HG2 THR 27 0.188 -7.926 -10.549 200 HG23 THR 27 2HG2 THR 27 -0.963 -9.254 -10.397 201 H VAL 28 H VAL 28 0.594 -8.065 -7.256 202 HA VAL 28 HA VAL 28 0.386 -6.895 -4.646 203 HB VAL 28 HB VAL 28 2.886 -7.342 -6.286 204 HG11 VAL 28 1HG1 VAL 28 3.712 -6.100 -4.596 205 HG12 VAL 28 2HG1 VAL 28 3.632 -7.626 -3.716 206 HG13 VAL 28 3HG1 VAL 28 2.344 -6.434 -3.536 207 HG21 VAL 28 3HG2 VAL 28 2.274 -9.507 -6.125 208 HG22 VAL 28 1HG2 VAL 28 1.171 -9.212 -4.783 209 HG23 VAL 28 2HG2 VAL 28 2.904 -9.348 -4.486 210 H GLY 29 H GLY 29 1.253 -5.815 -7.875 211 HA2 GLY 29 1HA GLY 29 1.989 -3.184 -6.894 212 HA3 GLY 29 2HA GLY 29 2.085 -3.733 -8.558 213 H ASP 30 H ASP 30 -0.660 -4.761 -8.575 214 HA ASP 30 HA ASP 30 -2.005 -2.528 -9.570 215 HB2 ASP 30 1HB ASP 30 -2.611 -4.841 -10.142 216 HB3 ASP 30 2HB ASP 30 -3.180 -5.105 -8.497 217 H ALA 31 H ALA 31 -2.162 -4.043 -6.367 218 HA ALA 31 HA ALA 31 -4.074 -2.086 -5.400 219 HB1 ALA 31 3HB ALA 31 -3.660 -3.296 -3.194 220 HB2 ALA 31 1HB ALA 31 -2.689 -4.431 -4.129 221 HB3 ALA 31 2HB ALA 31 -4.404 -4.230 -4.492 222 H LEU 32 H LEU 32 -0.620 -2.595 -5.366 223 HA LEU 32 HA LEU 32 0.049 -0.940 -3.192 224 HB2 LEU 32 1HB LEU 32 1.625 -2.500 -4.269 225 HB3 LEU 32 2HB LEU 32 1.647 -1.480 -5.695 226 HG LEU 32 HG LEU 32 2.340 0.279 -3.685 227 HD11 LEU 32 1HD1 LEU 32 4.159 -0.859 -2.463 228 HD12 LEU 32 2HD1 LEU 32 3.605 -2.397 -3.123 229 HD13 LEU 32 3HD1 LEU 32 2.558 -1.471 -2.048 230 HD21 LEU 32 3HD2 LEU 32 4.263 0.524 -4.880 231 HD22 LEU 32 1HD2 LEU 32 3.317 -0.384 -6.060 232 HD23 LEU 32 2HD2 LEU 32 4.509 -1.213 -5.060 233 H ASP 33 H ASP 33 0.096 -0.181 -6.698 234 HA ASP 33 HA ASP 33 0.656 2.533 -6.418 235 HB2 ASP 33 1HB ASP 33 0.138 2.755 -8.696 236 HB3 ASP 33 2HB ASP 33 0.662 1.084 -8.535 237 H ALA 34 H ALA 34 -2.471 0.854 -6.415 238 HA ALA 34 HA ALA 34 -4.091 3.167 -6.432 239 HB1 ALA 34 3HB ALA 34 -5.281 1.259 -6.937 240 HB2 ALA 34 1HB ALA 34 -5.758 1.538 -5.262 241 HB3 ALA 34 2HB ALA 34 -4.538 0.321 -5.640 242 H LEU 35 H LEU 35 -3.006 1.110 -3.729 243 HA LEU 35 HA LEU 35 -4.120 2.770 -1.715 244 HB2 LEU 35 1HB LEU 35 -2.250 0.456 -1.779 245 HB3 LEU 35 2HB LEU 35 -2.274 1.443 -0.331 246 HG LEU 35 HG LEU 35 -4.623 0.979 0.018 247 HD11 LEU 35 1HD1 LEU 35 -5.458 -0.966 -1.639 248 HD12 LEU 35 2HD1 LEU 35 -4.451 -0.034 -2.746 249 HD13 LEU 35 3HD1 LEU 35 -5.787 0.745 -1.901 250 HD21 LEU 35 3HD2 LEU 35 -3.586 -0.694 1.127 251 HD22 LEU 35 1HD2 LEU 35 -2.667 -1.210 -0.287 252 HD23 LEU 35 2HD2 LEU 35 -4.353 -1.691 -0.107 253 H VAL 36 H VAL 36 -0.973 2.657 -3.299 254 HA VAL 36 HA VAL 36 0.494 4.235 -1.518 255 HB VAL 36 HB VAL 36 0.737 3.849 -4.496 256 HG11 VAL 36 1HG1 VAL 36 2.950 5.008 -4.316 257 HG12 VAL 36 2HG1 VAL 36 2.447 5.593 -2.730 258 HG13 VAL 36 3HG1 VAL 36 1.550 6.071 -4.173 259 HG21 VAL 36 3HG2 VAL 36 2.902 3.157 -2.612 260 HG22 VAL 36 1HG2 VAL 36 2.286 2.275 -4.008 261 HG23 VAL 36 2HG2 VAL 36 1.420 2.214 -2.473 262 H GLY 37 H GLY 37 -1.439 5.249 -4.339 263 HA2 GLY 37 1HA GLY 37 -2.576 7.498 -3.314 264 HA3 GLY 37 2HA GLY 37 -0.980 8.041 -3.798 265 H ALA 38 H ALA 38 -3.387 5.860 -5.241 266 HA ALA 38 HA ALA 38 -2.830 6.682 -7.892 267 HB1 ALA 38 3HB ALA 38 -3.789 4.613 -7.896 268 HB2 ALA 38 1HB ALA 38 -5.222 5.588 -8.223 269 HB3 ALA 38 2HB ALA 38 -4.906 5.003 -6.589 270 H HIS 39 H HIS 39 -5.784 7.236 -5.950 271 HA HIS 39 HA HIS 39 -5.977 9.979 -6.384 272 HB2 HIS 39 1HB HIS 39 -7.078 8.324 -8.554 273 HB3 HIS 39 2HB HIS 39 -8.164 9.563 -7.950 274 HD1 HIS 39 HD1 HIS 39 -6.264 11.896 -7.516 275 HD2 HIS 39 HD2 HIS 39 -6.096 9.402 -10.838 276 HE1 HIS 39 HE1 HIS 39 -5.115 13.236 -9.308 277 HE2 HIS 39 HE2 HIS 39 -4.996 11.697 -11.299 278 HA PRO 40 HA PRO 40 -10.392 8.355 -4.960 279 HB2 PRO 40 1HB PRO 40 -10.263 5.619 -4.399 280 HB3 PRO 40 2HB PRO 40 -11.103 6.369 -5.756 281 HG2 PRO 40 1HG PRO 40 -8.419 5.080 -5.661 282 HG3 PRO 40 2HG PRO 40 -9.619 5.081 -6.967 283 HD2 PRO 40 1HD PRO 40 -7.421 6.610 -7.087 284 HD3 PRO 40 2HD PRO 40 -8.980 7.184 -7.719 285 H ALA 41 H ALA 41 -7.301 7.023 -3.959 286 HA ALA 41 HA ALA 41 -7.919 6.542 -1.249 287 HB1 ALA 41 3HB ALA 41 -5.891 5.671 -2.317 288 HB2 ALA 41 1HB ALA 41 -5.510 6.601 -0.868 289 HB3 ALA 41 2HB ALA 41 -5.263 7.312 -2.463 290 H LEU 42 H LEU 42 -7.233 9.433 -3.068 291 HA LEU 42 HA LEU 42 -7.700 11.024 -0.640 292 HB2 LEU 42 1HB LEU 42 -5.919 12.417 -2.435 293 HB3 LEU 42 2HB LEU 42 -5.754 12.107 -0.720 294 HG LEU 42 HG LEU 42 -4.872 9.808 -1.345 295 HD11 LEU 42 1HD1 LEU 42 -4.712 9.158 -3.464 296 HD12 LEU 42 2HD1 LEU 42 -3.920 10.661 -3.934 297 HD13 LEU 42 3HD1 LEU 42 -5.680 10.566 -3.900 298 HD21 LEU 42 3HD2 LEU 42 -3.379 11.499 -0.552 299 HD22 LEU 42 1HD2 LEU 42 -3.370 12.301 -2.123 300 HD23 LEU 42 2HD2 LEU 42 -2.626 10.713 -1.940 301 H GLU 43 H GLU 43 -9.414 10.211 -2.913 302 HA GLU 43 HA GLU 43 -11.098 11.127 -4.123 303 HB2 GLU 43 1HB GLU 43 -10.370 13.240 -2.336 304 HB3 GLU 43 2HB GLU 43 -10.717 13.934 -3.914 305 HG2 GLU 43 1HG GLU 43 -12.633 11.934 -2.869 306 HG3 GLU 43 2HG GLU 43 -12.590 13.504 -2.071 307 H SER 44 H SER 44 -11.454 11.996 -6.196 308 HA SER 44 HA SER 44 -9.282 11.814 -7.947 309 HB2 SER 44 1HB SER 44 -12.051 12.956 -8.321 310 HB3 SER 44 2HB SER 44 -10.888 12.811 -9.638 311 HG SER 44 HG SER 44 -10.967 10.632 -9.488 312 H ARG 45 H ARG 45 -10.926 14.678 -6.634 313 HA ARG 45 HA ARG 45 -8.552 16.257 -7.176 314 HB2 ARG 45 1HB ARG 45 -10.017 18.098 -8.174 315 HB3 ARG 45 2HB ARG 45 -9.642 16.725 -9.204 316 HG2 ARG 45 1HG ARG 45 -12.153 16.622 -7.624 317 HG3 ARG 45 2HG ARG 45 -12.085 17.712 -9.009 318 HD2 ARG 45 1HD ARG 45 -11.121 14.921 -9.365 319 HD3 ARG 45 2HD ARG 45 -12.860 15.192 -9.251 320 HE ARG 45 HE ARG 45 -11.123 15.907 -11.433 321 HH11 ARG 45 1HH1 ARG 45 -14.174 16.578 -9.856 322 HH12 ARG 45 2HH1 ARG 45 -14.906 17.242 -11.277 323 HH21 ARG 45 1HH2 ARG 45 -12.090 16.785 -13.305 324 HH22 ARG 45 2HH2 ARG 45 -13.722 17.360 -13.237 325 H VAL 46 H VAL 46 -8.375 18.111 -5.900 326 HA VAL 46 HA VAL 46 -10.461 19.053 -4.218 327 HB VAL 46 HB VAL 46 -10.023 16.933 -3.048 328 HG11 VAL 46 1HG1 VAL 46 -7.975 16.327 -2.117 329 HG12 VAL 46 2HG1 VAL 46 -7.308 17.950 -2.289 330 HG13 VAL 46 3HG1 VAL 46 -7.544 16.938 -3.714 331 HG21 VAL 46 3HG2 VAL 46 -9.661 19.582 -1.819 332 HG22 VAL 46 1HG2 VAL 46 -9.179 18.209 -0.822 333 HG23 VAL 46 2HG2 VAL 46 -10.822 18.306 -1.455 334 H PHE 47 H PHE 47 -6.938 18.736 -4.600 335 HA PHE 47 HA PHE 47 -6.537 21.520 -4.829 336 HB2 PHE 47 1HB PHE 47 -6.812 20.745 -2.172 337 HB3 PHE 47 2HB PHE 47 -5.070 20.817 -2.405 338 HD1 PHE 47 HD1 PHE 47 -4.075 22.959 -3.336 339 HD2 PHE 47 HD2 PHE 47 -8.064 22.690 -1.877 340 HE1 PHE 47 HE1 PHE 47 -4.141 25.405 -3.074 341 HE2 PHE 47 HE2 PHE 47 -8.136 25.134 -1.614 342 HZ PHE 47 HZ PHE 47 -6.173 26.495 -2.212 343 H GLY 48 H GLY 48 -5.094 21.327 -6.421 344 HA2 GLY 48 1HA GLY 48 -3.041 20.980 -7.406 345 HA3 GLY 48 2HA GLY 48 -2.458 20.367 -5.866 346 H ASP 49 H ASP 49 -3.874 19.553 -8.938 347 HA ASP 49 HA ASP 49 -4.368 16.813 -8.442 348 HB2 ASP 49 1HB ASP 49 -3.709 18.137 -11.085 349 HB3 ASP 49 2HB ASP 49 -4.471 16.566 -10.871 350 H ASP 50 H ASP 50 -1.607 18.440 -10.022 351 HA ASP 50 HA ASP 50 -0.073 16.092 -10.369 352 HB2 ASP 50 1HB ASP 50 0.557 19.027 -10.397 353 HB3 ASP 50 2HB ASP 50 1.861 17.846 -10.466 354 H GLY 51 H GLY 51 -0.492 18.270 -7.662 355 HA2 GLY 51 1HA GLY 51 -0.061 17.448 -5.437 356 HA3 GLY 51 2HA GLY 51 1.295 16.539 -6.085 357 H GLU 52 H GLU 52 2.356 17.596 -4.195 358 HA GLU 52 HA GLU 52 2.892 20.408 -4.315 359 HB2 GLU 52 1HB GLU 52 3.024 18.563 -2.332 360 HB3 GLU 52 2HB GLU 52 4.723 18.679 -2.766 361 HG2 GLU 52 1HG GLU 52 4.753 20.365 -1.305 362 HG3 GLU 52 2HG GLU 52 4.047 21.299 -2.622 363 H LEU 53 H LEU 53 5.425 20.956 -4.048 364 HA LEU 53 HA LEU 53 6.554 20.411 -6.627 365 HB2 LEU 53 1HB LEU 53 7.599 21.943 -4.249 366 HB3 LEU 53 2HB LEU 53 8.461 21.808 -5.770 367 HG LEU 53 HG LEU 53 5.830 22.705 -6.362 368 HD11 LEU 53 1HD1 LEU 53 6.300 24.987 -5.070 369 HD12 LEU 53 2HD1 LEU 53 6.997 23.865 -3.901 370 HD13 LEU 53 3HD1 LEU 53 5.310 23.696 -4.391 371 HD21 LEU 53 3HD2 LEU 53 7.389 23.406 -7.862 372 HD22 LEU 53 1HD2 LEU 53 8.621 23.673 -6.629 373 HD23 LEU 53 2HD2 LEU 53 7.323 24.846 -6.847 374 H TYR 54 H TYR 54 7.188 19.341 -3.323 375 HA TYR 54 HA TYR 54 9.124 17.406 -4.409 376 HB2 TYR 54 1HB TYR 54 9.587 19.420 -2.442 377 HB3 TYR 54 2HB TYR 54 9.675 17.851 -1.648 378 HD1 TYR 54 HD1 TYR 54 10.975 16.056 -3.336 379 HD2 TYR 54 HD2 TYR 54 11.645 20.248 -3.043 380 HE1 TYR 54 HE1 TYR 54 13.255 15.746 -4.198 381 HE2 TYR 54 HE2 TYR 54 13.928 19.949 -3.907 382 HH TYR 54 HH TYR 54 15.454 16.975 -4.081 383 H ASP 55 H ASP 55 8.691 15.335 -3.997 384 HA ASP 55 HA ASP 55 6.597 14.719 -2.019 385 HB2 ASP 55 1HB ASP 55 7.358 13.443 -4.633 386 HB3 ASP 55 2HB ASP 55 6.480 12.526 -3.414 387 H HIS 56 H HIS 56 7.083 13.460 -0.314 388 HA HIS 56 HA HIS 56 9.436 11.726 -0.429 389 HB2 HIS 56 1HB HIS 56 9.781 14.138 0.658 390 HB3 HIS 56 2HB HIS 56 9.094 13.328 2.061 391 HD1 HIS 56 HD1 HIS 56 10.789 10.658 0.671 392 HD2 HIS 56 HD2 HIS 56 12.104 14.166 2.471 393 HE1 HIS 56 HE1 HIS 56 13.136 10.184 1.431 394 HE2 HIS 56 HE2 HIS 56 13.895 12.303 2.564 395 H ILE 57 H ILE 57 8.565 9.786 -0.066 396 HA ILE 57 HA ILE 57 7.149 9.320 2.427 397 HB ILE 57 HB ILE 57 5.390 7.945 1.263 398 HG12 ILE 57 1HG1 ILE 57 5.087 9.215 -1.166 399 HG13 ILE 57 2HG1 ILE 57 6.829 8.981 -1.075 400 HG21 ILE 57 1HG2 ILE 57 5.179 10.356 2.167 401 HG22 ILE 57 2HG2 ILE 57 3.898 9.709 1.142 402 HG23 ILE 57 3HG2 ILE 57 5.096 10.812 0.466 403 HD11 ILE 57 3HD1 ILE 57 6.652 6.806 -1.479 404 HD12 ILE 57 1HD1 ILE 57 4.985 7.144 -1.947 405 HD13 ILE 57 2HD1 ILE 57 5.351 6.607 -0.307 406 H ASN 58 H ASN 58 7.864 7.487 3.326 407 HA ASN 58 HA ASN 58 9.422 5.664 1.644 408 HB2 ASN 58 1HB ASN 58 10.088 6.807 4.020 409 HB3 ASN 58 2HB ASN 58 9.444 5.264 4.571 410 HD21 ASN 58 2HD2 ASN 58 11.489 6.416 1.896 411 HD22 ASN 58 1HD2 ASN 58 12.716 5.216 2.100 412 H VAL 59 H VAL 59 9.288 3.317 2.155 413 HA VAL 59 HA VAL 59 6.634 2.498 3.116 414 HB VAL 59 HB VAL 59 6.557 2.635 0.655 415 HG11 VAL 59 1HG1 VAL 59 7.851 0.835 -0.604 416 HG12 VAL 59 2HG1 VAL 59 8.870 0.728 0.832 417 HG13 VAL 59 3HG1 VAL 59 8.754 2.247 -0.056 418 HG21 VAL 59 3HG2 VAL 59 5.222 0.959 1.914 419 HG22 VAL 59 1HG2 VAL 59 6.485 -0.230 1.595 420 HG23 VAL 59 2HG2 VAL 59 5.582 0.479 0.257 421 H LEU 60 H LEU 60 6.476 0.324 3.857 422 HA LEU 60 HA LEU 60 9.071 -0.824 4.640 423 HB2 LEU 60 1HB LEU 60 7.056 -0.061 6.259 424 HB3 LEU 60 2HB LEU 60 6.578 -1.720 5.965 425 HG LEU 60 HG LEU 60 7.864 -1.559 8.015 426 HD11 LEU 60 1HD1 LEU 60 9.758 -2.844 6.101 427 HD12 LEU 60 2HD1 LEU 60 8.127 -3.489 6.285 428 HD13 LEU 60 3HD1 LEU 60 9.202 -3.399 7.680 429 HD21 LEU 60 3HD2 LEU 60 9.227 0.446 6.896 430 HD22 LEU 60 1HD2 LEU 60 10.374 -0.863 6.614 431 HD23 LEU 60 2HD2 LEU 60 9.847 -0.492 8.254 432 H ARG 61 H ARG 61 9.632 -2.803 3.975 433 HA ARG 61 HA ARG 61 7.618 -4.385 2.521 434 HB2 ARG 61 1HB ARG 61 9.508 -5.356 1.259 435 HB3 ARG 61 2HB ARG 61 9.393 -3.613 1.058 436 HG2 ARG 61 1HG ARG 61 11.109 -3.917 3.207 437 HG3 ARG 61 2HG ARG 61 11.557 -5.225 2.112 438 HD2 ARG 61 1HD ARG 61 12.412 -3.820 0.586 439 HD3 ARG 61 2HD ARG 61 11.103 -2.655 0.783 440 HE ARG 61 HE ARG 61 12.632 -2.437 3.058 441 HH11 ARG 61 1HH1 ARG 61 13.187 -2.065 -0.380 442 HH12 ARG 61 2HH1 ARG 61 14.437 -0.885 -0.175 443 HH21 ARG 61 1HH2 ARG 61 14.276 -0.883 3.321 444 HH22 ARG 61 2HH2 ARG 61 15.056 -0.214 1.927 445 H ASN 62 H ASN 62 7.477 -6.601 2.863 446 HA ASN 62 HA ASN 62 8.186 -7.511 5.477 447 HB2 ASN 62 1HB ASN 62 6.199 -8.167 3.780 448 HB3 ASN 62 2HB ASN 62 7.311 -9.490 3.442 449 HD21 ASN 62 2HD2 ASN 62 8.298 -10.389 5.605 450 HD22 ASN 62 1HD2 ASN 62 7.123 -10.763 6.815 451 H GLY 63 H GLY 63 10.060 -7.284 2.732 452 HA2 GLY 63 1HA GLY 63 12.378 -7.994 2.949 453 HA3 GLY 63 2HA GLY 63 11.788 -9.491 3.653 454 H GLU 64 H GLU 64 10.134 -8.159 0.896 455 HA GLU 64 HA GLU 64 11.070 -10.416 -0.708 456 HB2 GLU 64 1HB GLU 64 8.538 -9.339 -0.302 457 HB3 GLU 64 2HB GLU 64 8.987 -8.763 -1.902 458 HG2 GLU 64 1HG GLU 64 7.827 -10.800 -2.193 459 HG3 GLU 64 2HG GLU 64 9.531 -11.127 -2.508 460 H ALA 65 H ALA 65 11.574 -10.079 -2.964 461 HA ALA 65 HA ALA 65 13.010 -7.556 -3.369 462 HB1 ALA 65 3HB ALA 65 14.554 -8.683 -4.583 463 HB2 ALA 65 1HB ALA 65 13.364 -9.777 -5.288 464 HB3 ALA 65 2HB ALA 65 13.946 -10.047 -3.646 465 H ALA 66 H ALA 66 11.676 -6.091 -4.248 466 HA ALA 66 HA ALA 66 10.355 -5.014 -5.741 467 HB1 ALA 66 3HB ALA 66 11.135 -7.156 -7.702 468 HB2 ALA 66 1HB ALA 66 12.168 -5.795 -7.272 469 HB3 ALA 66 2HB ALA 66 10.613 -5.509 -8.054 470 H ALA 67 H ALA 67 8.286 -5.126 -5.111 471 HA ALA 67 HA ALA 67 6.745 -7.552 -5.739 472 HB1 ALA 67 3HB ALA 67 5.525 -7.223 -3.869 473 HB2 ALA 67 1HB ALA 67 5.505 -5.470 -4.063 474 HB3 ALA 67 2HB ALA 67 6.918 -6.266 -3.370 475 H LEU 68 H LEU 68 5.098 -7.495 -7.167 476 HA LEU 68 HA LEU 68 3.545 -5.248 -7.811 477 HB2 LEU 68 1HB LEU 68 6.005 -5.017 -8.981 478 HB3 LEU 68 2HB LEU 68 5.096 -5.822 -10.243 479 HG LEU 68 HG LEU 68 4.044 -3.330 -8.938 480 HD11 LEU 68 1HD1 LEU 68 5.027 -2.284 -11.135 481 HD12 LEU 68 2HD1 LEU 68 6.197 -3.595 -10.975 482 HD13 LEU 68 3HD1 LEU 68 6.007 -2.418 -9.675 483 HD21 LEU 68 3HD2 LEU 68 2.834 -3.103 -11.033 484 HD22 LEU 68 1HD2 LEU 68 2.509 -4.675 -10.302 485 HD23 LEU 68 2HD2 LEU 68 3.622 -4.548 -11.665 486 H GLY 69 H GLY 69 4.959 -7.791 -9.890 487 HA2 GLY 69 1HA GLY 69 2.250 -8.639 -10.598 488 HA3 GLY 69 2HA GLY 69 3.733 -9.109 -11.414 489 H GLU 70 H GLU 70 2.237 -9.421 -8.182 490 HA GLU 70 HA GLU 70 2.794 -12.291 -8.289 491 HB2 GLU 70 1HB GLU 70 4.265 -10.437 -6.710 492 HB3 GLU 70 2HB GLU 70 3.305 -11.426 -5.620 493 HG2 GLU 70 1HG GLU 70 4.542 -13.248 -5.983 494 HG3 GLU 70 2HG GLU 70 4.661 -12.946 -7.715 495 H ALA 71 H ALA 71 0.308 -11.260 -8.695 496 HA ALA 71 HA ALA 71 -1.358 -10.787 -6.546 497 HB1 ALA 71 3HB ALA 71 -2.388 -12.530 -8.717 498 HB2 ALA 71 1HB ALA 71 -1.781 -10.933 -9.153 499 HB3 ALA 71 2HB ALA 71 -3.096 -11.089 -7.989 500 H THR 72 H THR 72 0.077 -13.821 -7.547 501 HA THR 72 HA THR 72 -1.585 -15.321 -5.659 502 HB THR 72 HB THR 72 -0.045 -17.231 -6.728 503 HG1 THR 72 HG1 THR 72 -0.265 -15.490 -8.926 504 HG21 THR 72 3HG2 THR 72 -2.585 -16.036 -7.610 505 HG22 THR 72 1HG2 THR 72 -2.197 -17.699 -7.166 506 HG23 THR 72 2HG2 THR 72 -1.771 -17.091 -8.767 507 H ALA 73 H ALA 73 0.393 -13.444 -4.665 508 HA ALA 73 HA ALA 73 2.518 -15.155 -3.608 509 HB1 ALA 73 3HB ALA 73 2.104 -12.180 -3.653 510 HB2 ALA 73 1HB ALA 73 3.385 -13.126 -4.409 511 HB3 ALA 73 2HB ALA 73 3.346 -12.936 -2.657 512 H ALA 74 H ALA 74 3.125 -14.569 -1.235 513 HA ALA 74 HA ALA 74 0.774 -15.146 0.375 514 HB1 ALA 74 3HB ALA 74 2.502 -15.456 2.201 515 HB2 ALA 74 1HB ALA 74 3.723 -15.209 0.954 516 HB3 ALA 74 2HB ALA 74 2.601 -16.564 0.833 517 H GLY 75 H GLY 75 3.143 -12.571 -0.045 518 HA2 GLY 75 1HA GLY 75 1.425 -10.791 1.512 519 HA3 GLY 75 2HA GLY 75 3.085 -10.976 2.059 520 H ASP 76 H ASP 76 1.910 -8.513 1.212 521 HA ASP 76 HA ASP 76 3.326 -8.027 -1.320 522 HB2 ASP 76 1HB ASP 76 1.204 -6.278 -0.071 523 HB3 ASP 76 2HB ASP 76 1.896 -6.125 -1.682 524 H GLU 77 H GLU 77 2.397 -5.940 1.410 525 HA GLU 77 HA GLU 77 5.218 -5.316 1.855 526 HB2 GLU 77 1HB GLU 77 4.649 -2.868 1.999 527 HB3 GLU 77 2HB GLU 77 4.581 -3.546 0.381 528 HG2 GLU 77 1HG GLU 77 2.408 -3.108 0.159 529 HG3 GLU 77 2HG GLU 77 2.032 -3.632 1.797 530 H LEU 78 H LEU 78 5.065 -3.448 3.805 531 HA LEU 78 HA LEU 78 3.542 -4.849 5.899 532 HB2 LEU 78 1HB LEU 78 6.252 -4.092 5.737 533 HB3 LEU 78 2HB LEU 78 5.522 -3.036 6.931 534 HG LEU 78 HG LEU 78 6.509 -5.023 7.964 535 HD11 LEU 78 1HD1 LEU 78 3.612 -5.529 8.290 536 HD12 LEU 78 2HD1 LEU 78 4.184 -3.893 8.614 537 HD13 LEU 78 3HD1 LEU 78 4.862 -5.256 9.504 538 HD21 LEU 78 3HD2 LEU 78 6.071 -6.493 5.951 539 HD22 LEU 78 1HD2 LEU 78 4.418 -6.656 6.546 540 HD23 LEU 78 2HD2 LEU 78 5.769 -7.222 7.528 541 H ALA 79 H ALA 79 4.662 -1.581 5.021 542 HA ALA 79 HA ALA 79 2.093 -0.430 5.541 543 HB1 ALA 79 3HB ALA 79 2.749 1.012 7.403 544 HB2 ALA 79 1HB ALA 79 4.331 0.236 7.460 545 HB3 ALA 79 2HB ALA 79 2.880 -0.689 7.849 546 H LEU 80 H LEU 80 2.320 2.084 5.483 547 HA LEU 80 HA LEU 80 4.555 2.918 3.770 548 HB2 LEU 80 1HB LEU 80 2.149 2.347 2.672 549 HB3 LEU 80 2HB LEU 80 1.892 4.026 3.095 550 HG LEU 80 HG LEU 80 4.139 3.010 1.351 551 HD11 LEU 80 1HD1 LEU 80 1.546 4.375 0.651 552 HD12 LEU 80 2HD1 LEU 80 2.027 2.732 0.227 553 HD13 LEU 80 3HD1 LEU 80 2.880 4.109 -0.470 554 HD21 LEU 80 3HD2 LEU 80 4.724 5.249 0.967 555 HD22 LEU 80 1HD2 LEU 80 4.492 5.139 2.710 556 HD23 LEU 80 2HD2 LEU 80 3.238 5.855 1.698 557 H PHE 81 H PHE 81 5.478 4.161 5.361 558 HA PHE 81 HA PHE 81 3.913 6.499 6.229 559 HB2 PHE 81 1HB PHE 81 5.442 4.550 7.875 560 HB3 PHE 81 2HB PHE 81 5.565 6.245 8.329 561 HD1 PHE 81 HD1 PHE 81 2.870 3.861 7.306 562 HD2 PHE 81 HD2 PHE 81 4.130 6.934 9.967 563 HE1 PHE 81 HE1 PHE 81 0.732 3.691 8.509 564 HE2 PHE 81 HE2 PHE 81 1.995 6.769 11.175 565 HZ PHE 81 HZ PHE 81 0.291 5.145 10.447 566 HA PRO 82 HA PRO 82 7.336 8.864 4.726 567 HB2 PRO 82 1HB PRO 82 7.078 11.131 6.181 568 HB3 PRO 82 2HB PRO 82 5.957 10.698 4.885 569 HG2 PRO 82 1HG PRO 82 5.650 10.369 7.845 570 HG3 PRO 82 2HG PRO 82 4.464 10.934 6.653 571 HD2 PRO 82 1HD PRO 82 4.479 8.401 7.631 572 HD3 PRO 82 2HD PRO 82 3.921 8.799 5.993 573 HA PRO 83 HA PRO 83 10.705 8.190 7.542 574 HB2 PRO 83 1HB PRO 83 12.628 9.638 6.314 575 HB3 PRO 83 2HB PRO 83 12.026 8.111 5.657 576 HG2 PRO 83 1HG PRO 83 11.322 10.915 4.884 577 HG3 PRO 83 2HG PRO 83 11.630 9.511 3.845 578 HD2 PRO 83 1HD PRO 83 9.126 10.390 4.464 579 HD3 PRO 83 2HD PRO 83 9.502 8.692 4.110 580 H VAL 84 H VAL 84 11.295 9.086 9.438 581 HA VAL 84 HA VAL 84 10.398 11.643 10.209 582 HB VAL 84 HB VAL 84 11.869 11.248 12.239 583 HG11 VAL 84 1HG1 VAL 84 9.703 9.364 11.388 584 HG12 VAL 84 2HG1 VAL 84 9.606 10.742 12.483 585 HG13 VAL 84 3HG1 VAL 84 10.432 9.269 12.991 586 HG21 VAL 84 3HG2 VAL 84 13.006 9.248 12.557 587 HG22 VAL 84 1HG2 VAL 84 13.387 9.663 10.886 588 HG23 VAL 84 2HG2 VAL 84 12.161 8.445 11.236 589 H SER 85 H SER 85 11.445 13.580 10.487 590 HA SER 85 HA SER 85 14.258 13.736 9.649 591 HB2 SER 85 1HB SER 85 13.620 15.932 8.492 592 HB3 SER 85 2HB SER 85 13.134 14.437 7.691 593 HG SER 85 HG SER 85 11.544 16.312 8.099 594 H GLY 86 H GLY 86 11.784 16.128 10.628 595 HA2 GLY 86 1HA GLY 86 12.453 16.553 13.240 596 HA3 GLY 86 2HA GLY 86 13.668 17.455 12.350 597 H GLY 87 H GLY 87 12.608 19.224 13.648 598 HA2 GLY 87 1HA GLY 87 10.642 20.540 11.939 599 HA3 GLY 87 2HA GLY 87 10.166 20.257 13.605 Start of MODEL 3 1 H1 MET 1 1H MET 1 4.103 -8.659 3.698 2 H2 MET 1 2H MET 1 4.397 -10.320 4.006 3 H3 MET 1 3H MET 1 3.674 -9.338 5.211 4 HA MET 1 HA MET 1 2.456 -9.797 2.578 5 HB2 MET 1 1HB MET 1 2.934 -11.720 4.568 6 HB3 MET 1 2HB MET 1 1.254 -11.251 4.782 7 HG2 MET 1 1HG MET 1 0.611 -12.103 2.772 8 HG3 MET 1 2HG MET 1 2.192 -11.855 2.034 9 HE1 MET 1 3HE MET 1 0.135 -14.406 1.943 10 HE2 MET 1 1HE MET 1 -0.204 -14.383 3.672 11 HE3 MET 1 2HE MET 1 0.614 -15.770 2.954 12 H GLU 2 H GLU 2 2.635 -7.335 3.961 13 HA GLU 2 HA GLU 2 -0.156 -6.747 4.283 14 HB2 GLU 2 1HB GLU 2 0.273 -5.664 6.574 15 HB3 GLU 2 2HB GLU 2 0.095 -7.413 6.523 16 HG2 GLU 2 1HG GLU 2 2.326 -7.792 6.937 17 HG3 GLU 2 2HG GLU 2 2.816 -6.205 6.346 18 H TRP 3 H TRP 3 -0.389 -4.335 4.952 19 HA TRP 3 HA TRP 3 1.828 -2.639 4.260 20 HB2 TRP 3 1HB TRP 3 0.613 -3.450 2.079 21 HB3 TRP 3 2HB TRP 3 -0.616 -2.283 2.555 22 HD1 TRP 3 HD TRP 3 2.865 -1.192 3.414 23 HE1 TRP 3 HE1 TRP 3 3.638 0.628 1.775 24 HE3 TRP 3 HE3 TRP 3 -0.868 -1.580 -0.059 25 HZ2 TRP 3 HZ2 TRP 3 2.784 1.761 -0.659 26 HZ3 TRP 3 HZ3 TRP 3 -0.813 -0.087 -2.014 27 HH2 TRP 3 HH TRP 3 0.975 1.549 -2.305 28 H LYS 4 H LYS 4 1.526 -0.506 4.921 29 HA LYS 4 HA LYS 4 -1.052 0.197 6.123 30 HB2 LYS 4 1HB LYS 4 1.616 0.119 7.507 31 HB3 LYS 4 2HB LYS 4 0.370 1.241 8.033 32 HG2 LYS 4 1HG LYS 4 -1.157 -0.700 8.337 33 HG3 LYS 4 2HG LYS 4 0.203 -1.762 7.975 34 HD2 LYS 4 1HD LYS 4 1.103 -1.492 10.013 35 HD3 LYS 4 2HD LYS 4 0.792 0.246 10.018 36 HE2 LYS 4 1HE LYS 4 -1.615 -0.288 10.495 37 HE3 LYS 4 2HE LYS 4 -1.128 -1.970 10.715 38 HZ1 LYS 4 3HZ LYS 4 0.053 -1.468 12.619 39 HZ2 LYS 4 1HZ LYS 4 -1.283 -0.437 12.757 40 HZ3 LYS 4 2HZ LYS 4 0.207 0.174 12.237 41 H LEU 5 H LEU 5 -1.516 2.408 6.093 42 HA LEU 5 HA LEU 5 0.531 4.151 4.905 43 HB2 LEU 5 1HB LEU 5 -1.294 3.164 3.296 44 HB3 LEU 5 2HB LEU 5 -2.305 4.409 4.003 45 HG LEU 5 HG LEU 5 0.184 5.583 3.210 46 HD11 LEU 5 1HD1 LEU 5 0.691 4.167 1.516 47 HD12 LEU 5 2HD1 LEU 5 -0.480 5.176 0.668 48 HD13 LEU 5 3HD1 LEU 5 -0.974 3.617 1.325 49 HD21 LEU 5 3HD2 LEU 5 -1.429 6.822 1.662 50 HD22 LEU 5 1HD2 LEU 5 -1.704 6.950 3.398 51 HD23 LEU 5 2HD2 LEU 5 -2.699 5.866 2.425 52 H PHE 6 H PHE 6 -0.040 6.481 5.060 53 HA PHE 6 HA PHE 6 -1.107 7.023 7.709 54 HB2 PHE 6 1HB PHE 6 1.085 7.979 6.657 55 HB3 PHE 6 2HB PHE 6 0.005 9.129 5.876 56 HD1 PHE 6 HD1 PHE 6 0.416 7.671 9.295 57 HD2 PHE 6 HD2 PHE 6 -0.134 11.161 6.922 58 HE1 PHE 6 HE1 PHE 6 0.428 9.050 11.330 59 HE2 PHE 6 HE2 PHE 6 -0.121 12.547 8.954 60 HZ PHE 6 HZ PHE 6 0.161 11.493 11.162 61 H ALA 7 H ALA 7 -2.410 9.134 7.921 62 HA ALA 7 HA ALA 7 -4.821 8.830 6.429 63 HB1 ALA 7 3HB ALA 7 -3.918 10.795 8.509 64 HB2 ALA 7 1HB ALA 7 -5.105 9.498 8.653 65 HB3 ALA 7 2HB ALA 7 -5.483 10.936 7.707 66 H ASP 8 H ASP 8 -1.956 10.457 5.686 67 HA ASP 8 HA ASP 8 -2.733 12.840 4.533 68 HB2 ASP 8 1HB ASP 8 -0.381 11.479 4.694 69 HB3 ASP 8 2HB ASP 8 -0.739 11.313 2.981 70 H LEU 9 H LEU 9 -2.764 9.605 3.107 71 HA LEU 9 HA LEU 9 -4.243 10.679 0.800 72 HB2 LEU 9 1HB LEU 9 -2.788 8.051 1.089 73 HB3 LEU 9 2HB LEU 9 -3.632 8.594 -0.349 74 HG LEU 9 HG LEU 9 -1.955 10.653 -0.091 75 HD11 LEU 9 1HD1 LEU 9 -1.006 9.552 2.001 76 HD12 LEU 9 2HD1 LEU 9 0.146 10.099 0.786 77 HD13 LEU 9 3HD1 LEU 9 -0.258 8.387 0.910 78 HD21 LEU 9 3HD2 LEU 9 -0.641 8.287 -1.253 79 HD22 LEU 9 1HD2 LEU 9 -1.009 9.855 -1.972 80 HD23 LEU 9 2HD2 LEU 9 -2.267 8.627 -1.842 81 H ALA 10 H ALA 10 -4.366 8.322 3.412 82 HA ALA 10 HA ALA 10 -6.697 6.963 2.524 83 HB1 ALA 10 3HB ALA 10 -5.100 7.034 5.012 84 HB2 ALA 10 1HB ALA 10 -5.624 5.662 4.034 85 HB3 ALA 10 2HB ALA 10 -6.758 6.448 5.131 86 H GLU 11 H GLU 11 -6.372 10.117 3.651 87 HA GLU 11 HA GLU 11 -8.592 10.420 5.336 88 HB2 GLU 11 1HB GLU 11 -6.697 12.120 4.069 89 HB3 GLU 11 2HB GLU 11 -8.298 12.755 3.710 90 HG2 GLU 11 1HG GLU 11 -8.737 12.516 6.224 91 HG3 GLU 11 2HG GLU 11 -6.990 12.355 6.373 92 H VAL 12 H VAL 12 -8.326 10.517 1.803 93 HA VAL 12 HA VAL 12 -11.204 10.967 1.558 94 HB VAL 12 HB VAL 12 -9.190 10.718 -0.675 95 HG11 VAL 12 1HG1 VAL 12 -11.118 12.308 -1.631 96 HG12 VAL 12 2HG1 VAL 12 -12.072 11.345 -0.504 97 HG13 VAL 12 3HG1 VAL 12 -11.155 10.551 -1.784 98 HG21 VAL 12 3HG2 VAL 12 -9.541 13.308 -0.665 99 HG22 VAL 12 1HG2 VAL 12 -8.363 12.569 0.422 100 HG23 VAL 12 2HG2 VAL 12 -9.947 13.049 1.033 101 H ALA 13 H ALA 13 -8.745 8.594 0.537 102 HA ALA 13 HA ALA 13 -10.546 6.816 -0.713 103 HB1 ALA 13 3HB ALA 13 -7.872 6.983 -0.650 104 HB2 ALA 13 1HB ALA 13 -8.739 5.530 -1.141 105 HB3 ALA 13 2HB ALA 13 -8.110 5.668 0.500 106 H GLY 14 H GLY 14 -9.170 6.822 2.576 107 HA2 GLY 14 1HA GLY 14 -10.214 6.069 4.522 108 HA3 GLY 14 2HA GLY 14 -11.489 5.365 3.543 109 H SER 15 H SER 15 -8.385 4.532 2.424 110 HA SER 15 HA SER 15 -8.278 2.105 4.054 111 HB2 SER 15 1HB SER 15 -8.762 2.260 1.123 112 HB3 SER 15 2HB SER 15 -7.660 1.006 1.687 113 HG SER 15 HG SER 15 -9.603 0.062 1.825 114 H ARG 16 H ARG 16 -6.410 2.807 5.053 115 HA ARG 16 HA ARG 16 -4.124 3.559 3.432 116 HB2 ARG 16 1HB ARG 16 -3.057 3.792 5.764 117 HB3 ARG 16 2HB ARG 16 -4.277 4.957 5.290 118 HG2 ARG 16 1HG ARG 16 -5.303 2.608 6.719 119 HG3 ARG 16 2HG ARG 16 -4.218 3.637 7.655 120 HD2 ARG 16 1HD ARG 16 -5.685 5.572 6.730 121 HD3 ARG 16 2HD ARG 16 -6.861 4.296 6.417 122 HE ARG 16 HE ARG 16 -5.812 4.311 9.102 123 HH11 ARG 16 1HH1 ARG 16 -8.301 5.563 6.976 124 HH12 ARG 16 2HH1 ARG 16 -9.397 5.918 8.266 125 HH21 ARG 16 1HH2 ARG 16 -7.261 4.787 10.798 126 HH22 ARG 16 2HH2 ARG 16 -8.807 5.478 10.437 127 H THR 17 H THR 17 -5.082 0.999 5.703 128 HA THR 17 HA THR 17 -2.608 -0.440 5.115 129 HB THR 17 HB THR 17 -3.015 -1.759 7.017 130 HG1 THR 17 HG1 THR 17 -4.956 -2.429 7.360 131 HG21 THR 17 3HG2 THR 17 -3.355 -0.289 8.831 132 HG22 THR 17 1HG2 THR 17 -4.288 0.831 7.839 133 HG23 THR 17 2HG2 THR 17 -2.555 0.643 7.565 134 H VAL 18 H VAL 18 -2.546 -2.498 4.228 135 HA VAL 18 HA VAL 18 -5.047 -3.673 3.266 136 HB VAL 18 HB VAL 18 -2.717 -3.300 1.386 137 HG11 VAL 18 1HG1 VAL 18 -5.519 -3.760 0.508 138 HG12 VAL 18 2HG1 VAL 18 -4.629 -5.117 1.196 139 HG13 VAL 18 3HG1 VAL 18 -4.001 -4.282 -0.224 140 HG21 VAL 18 3HG2 VAL 18 -4.040 -1.541 0.283 141 HG22 VAL 18 1HG2 VAL 18 -3.572 -1.093 1.923 142 HG23 VAL 18 2HG2 VAL 18 -5.220 -1.625 1.590 143 H ARG 19 H ARG 19 -4.975 -5.631 4.190 144 HA ARG 19 HA ARG 19 -2.424 -7.090 4.247 145 HB2 ARG 19 1HB ARG 19 -3.569 -8.570 5.910 146 HB3 ARG 19 2HB ARG 19 -3.392 -6.901 6.430 147 HG2 ARG 19 1HG ARG 19 -5.921 -7.445 5.071 148 HG3 ARG 19 2HG ARG 19 -5.689 -8.371 6.556 149 HD2 ARG 19 1HD ARG 19 -4.840 -5.739 7.100 150 HD3 ARG 19 2HD ARG 19 -6.365 -5.605 6.226 151 HE ARG 19 HE ARG 19 -6.465 -7.535 8.339 152 HH11 ARG 19 1HH1 ARG 19 -6.725 -4.116 7.619 153 HH12 ARG 19 2HH1 ARG 19 -7.710 -3.775 9.002 154 HH21 ARG 19 1HH2 ARG 19 -7.761 -7.075 10.161 155 HH22 ARG 19 2HH2 ARG 19 -8.298 -5.453 10.445 156 H VAL 20 H VAL 20 -2.350 -9.316 3.606 157 HA VAL 20 HA VAL 20 -4.321 -9.936 1.517 158 HB VAL 20 HB VAL 20 -1.619 -11.223 1.948 159 HG11 VAL 20 1HG1 VAL 20 -3.310 -12.549 0.696 160 HG12 VAL 20 2HG1 VAL 20 -1.889 -12.126 -0.257 161 HG13 VAL 20 3HG1 VAL 20 -3.396 -11.243 -0.488 162 HG21 VAL 20 3HG2 VAL 20 -0.603 -9.636 0.722 163 HG22 VAL 20 1HG2 VAL 20 -1.970 -8.631 1.204 164 HG23 VAL 20 2HG2 VAL 20 -1.981 -9.444 -0.362 165 H ASP 21 H ASP 21 -5.834 -11.397 1.931 166 HA ASP 21 HA ASP 21 -5.215 -13.685 3.645 167 HB2 ASP 21 1HB ASP 21 -7.136 -11.539 4.193 168 HB3 ASP 21 2HB ASP 21 -7.818 -13.153 4.314 169 H VAL 22 H VAL 22 -8.164 -12.427 2.126 170 HA VAL 22 HA VAL 22 -8.586 -15.020 0.860 171 HB VAL 22 HB VAL 22 -10.452 -14.039 2.131 172 HG11 VAL 22 1HG1 VAL 22 -10.244 -11.827 0.102 173 HG12 VAL 22 2HG1 VAL 22 -10.134 -11.706 1.858 174 HG13 VAL 22 3HG1 VAL 22 -11.674 -12.097 1.096 175 HG21 VAL 22 3HG2 VAL 22 -10.995 -14.213 -0.833 176 HG22 VAL 22 1HG2 VAL 22 -12.196 -14.356 0.449 177 HG23 VAL 22 2HG2 VAL 22 -10.929 -15.572 0.290 178 H ASP 23 H ASP 23 -8.981 -15.269 -1.365 179 HA ASP 23 HA ASP 23 -7.552 -13.388 -3.029 180 HB2 ASP 23 1HB ASP 23 -7.463 -15.959 -3.198 181 HB3 ASP 23 2HB ASP 23 -9.016 -15.827 -4.018 182 H GLY 24 H GLY 24 -8.509 -11.672 -3.895 183 HA2 GLY 24 1HA GLY 24 -11.255 -11.958 -4.918 184 HA3 GLY 24 2HA GLY 24 -10.856 -10.603 -3.872 185 H ASP 25 H ASP 25 -11.088 -8.909 -5.259 186 HA ASP 25 HA ASP 25 -9.597 -9.009 -7.796 187 HB2 ASP 25 1HB ASP 25 -12.198 -8.410 -7.482 188 HB3 ASP 25 2HB ASP 25 -11.515 -6.802 -7.274 189 H ALA 26 H ALA 26 -8.244 -8.540 -5.326 190 HA ALA 26 HA ALA 26 -7.403 -5.740 -5.697 191 HB1 ALA 26 3HB ALA 26 -8.521 -6.677 -3.430 192 HB2 ALA 26 1HB ALA 26 -7.335 -5.373 -3.469 193 HB3 ALA 26 2HB ALA 26 -6.822 -7.018 -3.101 194 H THR 27 H THR 27 -5.390 -5.518 -6.431 195 HA THR 27 HA THR 27 -3.522 -7.768 -6.104 196 HB THR 27 HB THR 27 -2.485 -6.004 -8.031 197 HG1 THR 27 HG1 THR 27 -5.193 -6.594 -8.620 198 HG21 THR 27 3HG2 THR 27 -2.686 -7.778 -9.550 199 HG22 THR 27 1HG2 THR 27 -4.026 -8.494 -8.655 200 HG23 THR 27 2HG2 THR 27 -2.400 -8.514 -7.974 201 H VAL 28 H VAL 28 -1.146 -7.051 -6.115 202 HA VAL 28 HA VAL 28 -0.778 -5.274 -3.899 203 HB VAL 28 HB VAL 28 1.355 -6.488 -5.666 204 HG11 VAL 28 1HG1 VAL 28 2.809 -6.160 -3.715 205 HG12 VAL 28 2HG1 VAL 28 1.482 -5.369 -2.866 206 HG13 VAL 28 3HG1 VAL 28 2.162 -4.634 -4.316 207 HG21 VAL 28 3HG2 VAL 28 0.477 -8.420 -4.869 208 HG22 VAL 28 1HG2 VAL 28 -0.287 -7.635 -3.487 209 HG23 VAL 28 2HG2 VAL 28 1.438 -7.998 -3.454 210 H GLY 29 H GLY 29 -0.391 -5.095 -7.380 211 HA2 GLY 29 1HA GLY 29 0.903 -2.515 -7.252 212 HA3 GLY 29 2HA GLY 29 0.473 -3.390 -8.711 213 H ASP 30 H ASP 30 -2.275 -3.833 -8.012 214 HA ASP 30 HA ASP 30 -3.482 -1.561 -9.093 215 HB2 ASP 30 1HB ASP 30 -4.531 -3.769 -9.161 216 HB3 ASP 30 2HB ASP 30 -4.718 -3.755 -7.411 217 H ALA 31 H ALA 31 -3.013 -2.530 -5.725 218 HA ALA 31 HA ALA 31 -4.393 -0.163 -4.741 219 HB1 ALA 31 3HB ALA 31 -4.652 -2.365 -3.607 220 HB2 ALA 31 1HB ALA 31 -4.076 -1.080 -2.544 221 HB3 ALA 31 2HB ALA 31 -2.947 -2.285 -3.161 222 H LEU 32 H LEU 32 -1.175 -1.242 -5.448 223 HA LEU 32 HA LEU 32 0.277 0.442 -3.724 224 HB2 LEU 32 1HB LEU 32 1.387 -1.383 -4.819 225 HB3 LEU 32 2HB LEU 32 0.969 -0.758 -6.402 226 HG LEU 32 HG LEU 32 2.424 1.266 -5.813 227 HD11 LEU 32 1HD1 LEU 32 3.820 1.240 -4.010 228 HD12 LEU 32 2HD1 LEU 32 3.846 -0.521 -3.911 229 HD13 LEU 32 3HD1 LEU 32 2.444 0.375 -3.330 230 HD21 LEU 32 3HD2 LEU 32 4.193 0.298 -6.880 231 HD22 LEU 32 1HD2 LEU 32 2.953 -0.909 -7.218 232 HD23 LEU 32 2HD2 LEU 32 4.112 -1.178 -5.916 233 H ASP 33 H ASP 33 -0.651 0.870 -7.160 234 HA ASP 33 HA ASP 33 0.427 3.432 -7.437 235 HB2 ASP 33 1HB ASP 33 -0.830 3.602 -9.451 236 HB3 ASP 33 2HB ASP 33 -0.357 1.918 -9.278 237 H ALA 34 H ALA 34 -2.805 2.435 -6.331 238 HA ALA 34 HA ALA 34 -3.857 5.068 -6.168 239 HB1 ALA 34 3HB ALA 34 -4.768 2.720 -4.516 240 HB2 ALA 34 1HB ALA 34 -5.207 2.939 -6.211 241 HB3 ALA 34 2HB ALA 34 -5.700 4.132 -5.008 242 H LEU 35 H LEU 35 -2.495 2.890 -3.705 243 HA LEU 35 HA LEU 35 -2.710 4.747 -1.578 244 HB2 LEU 35 1HB LEU 35 -1.376 2.130 -1.998 245 HB3 LEU 35 2HB LEU 35 -0.786 3.123 -0.681 246 HG LEU 35 HG LEU 35 -3.157 3.225 0.182 247 HD11 LEU 35 1HD1 LEU 35 -4.859 2.073 -0.757 248 HD12 LEU 35 2HD1 LEU 35 -3.813 0.776 -1.329 249 HD13 LEU 35 3HD1 LEU 35 -3.904 2.292 -2.221 250 HD21 LEU 35 3HD2 LEU 35 -1.208 1.514 0.754 251 HD22 LEU 35 1HD2 LEU 35 -2.378 0.363 0.107 252 HD23 LEU 35 2HD2 LEU 35 -2.810 1.387 1.478 253 H VAL 36 H VAL 36 -0.190 4.095 -3.957 254 HA VAL 36 HA VAL 36 1.909 5.479 -2.676 255 HB VAL 36 HB VAL 36 1.388 4.802 -5.564 256 HG11 VAL 36 1HG1 VAL 36 3.658 6.458 -4.473 257 HG12 VAL 36 2HG1 VAL 36 2.516 6.895 -5.745 258 HG13 VAL 36 3HG1 VAL 36 3.714 5.633 -6.031 259 HG21 VAL 36 3HG2 VAL 36 2.946 3.142 -5.283 260 HG22 VAL 36 1HG2 VAL 36 2.259 3.213 -3.661 261 HG23 VAL 36 2HG2 VAL 36 3.798 4.003 -4.002 262 H GLY 37 H GLY 37 -0.469 6.559 -5.098 263 HA2 GLY 37 1HA GLY 37 -1.146 8.973 -4.179 264 HA3 GLY 37 2HA GLY 37 0.443 9.305 -4.841 265 H ALA 38 H ALA 38 -2.367 7.396 -5.908 266 HA ALA 38 HA ALA 38 -1.988 7.942 -8.647 267 HB1 ALA 38 3HB ALA 38 -4.330 6.940 -7.061 268 HB2 ALA 38 1HB ALA 38 -3.295 6.061 -8.188 269 HB3 ALA 38 2HB ALA 38 -4.458 7.239 -8.795 270 H HIS 39 H HIS 39 -4.534 9.180 -6.477 271 HA HIS 39 HA HIS 39 -4.430 11.809 -6.644 272 HB2 HIS 39 1HB HIS 39 -5.161 10.809 -9.304 273 HB3 HIS 39 2HB HIS 39 -6.193 12.088 -8.698 274 HD1 HIS 39 HD1 HIS 39 -4.312 12.487 -11.139 275 HD2 HIS 39 HD2 HIS 39 -3.369 13.545 -7.233 276 HE1 HIS 39 HE1 HIS 39 -2.557 14.272 -11.333 277 HE2 HIS 39 HE2 HIS 39 -1.897 14.790 -8.957 278 HA PRO 40 HA PRO 40 -9.233 10.896 -6.585 279 HB2 PRO 40 1HB PRO 40 -9.761 8.177 -6.841 280 HB3 PRO 40 2HB PRO 40 -10.024 9.399 -8.084 281 HG2 PRO 40 1HG PRO 40 -7.750 7.503 -7.734 282 HG3 PRO 40 2HG PRO 40 -8.526 8.059 -9.228 283 HD2 PRO 40 1HD PRO 40 -6.151 9.021 -8.449 284 HD3 PRO 40 2HD PRO 40 -7.354 10.065 -9.235 285 H ALA 41 H ALA 41 -6.746 8.725 -5.426 286 HA ALA 41 HA ALA 41 -8.072 7.683 -3.174 287 HB1 ALA 41 3HB ALA 41 -5.550 7.690 -2.308 288 HB2 ALA 41 1HB ALA 41 -5.244 7.967 -4.021 289 HB3 ALA 41 2HB ALA 41 -6.133 6.534 -3.506 290 H LEU 42 H LEU 42 -6.588 10.778 -3.838 291 HA LEU 42 HA LEU 42 -7.532 11.720 -1.226 292 HB2 LEU 42 1HB LEU 42 -5.383 13.058 -1.017 293 HB3 LEU 42 2HB LEU 42 -5.296 11.342 -0.668 294 HG LEU 42 HG LEU 42 -4.575 12.366 -3.397 295 HD11 LEU 42 1HD1 LEU 42 -2.800 12.308 -0.964 296 HD12 LEU 42 2HD1 LEU 42 -3.252 13.719 -1.921 297 HD13 LEU 42 3HD1 LEU 42 -2.223 12.470 -2.623 298 HD21 LEU 42 3HD2 LEU 42 -4.210 9.884 -1.813 299 HD22 LEU 42 1HD2 LEU 42 -2.920 10.342 -2.924 300 HD23 LEU 42 2HD2 LEU 42 -4.556 10.093 -3.530 301 H GLU 43 H GLU 43 -8.274 12.061 -4.160 302 HA GLU 43 HA GLU 43 -9.087 13.690 -5.512 303 HB2 GLU 43 1HB GLU 43 -8.918 15.155 -2.898 304 HB3 GLU 43 2HB GLU 43 -9.416 15.993 -4.359 305 HG2 GLU 43 1HG GLU 43 -10.841 13.501 -4.026 306 HG3 GLU 43 2HG GLU 43 -11.029 14.552 -2.622 307 H SER 44 H SER 44 -8.545 15.646 -6.707 308 HA SER 44 HA SER 44 -5.651 16.008 -6.843 309 HB2 SER 44 1HB SER 44 -6.508 17.324 -9.015 310 HB3 SER 44 2HB SER 44 -6.262 15.577 -9.001 311 HG SER 44 HG SER 44 -8.688 17.018 -8.767 312 H ARG 45 H ARG 45 -8.408 17.648 -5.674 313 HA ARG 45 HA ARG 45 -7.432 20.321 -6.110 314 HB2 ARG 45 1HB ARG 45 -9.611 19.309 -4.269 315 HB3 ARG 45 2HB ARG 45 -9.292 21.000 -4.636 316 HG2 ARG 45 1HG ARG 45 -10.476 20.907 -6.513 317 HG3 ARG 45 2HG ARG 45 -9.660 19.436 -7.045 318 HD2 ARG 45 1HD ARG 45 -11.325 18.110 -6.325 319 HD3 ARG 45 2HD ARG 45 -11.534 19.025 -4.833 320 HE ARG 45 HE ARG 45 -13.043 19.296 -7.244 321 HH11 ARG 45 1HH1 ARG 45 -11.898 21.038 -4.428 322 HH12 ARG 45 2HH1 ARG 45 -13.162 22.219 -4.490 323 HH21 ARG 45 1HH2 ARG 45 -14.707 20.856 -7.320 324 HH22 ARG 45 2HH2 ARG 45 -14.757 22.116 -6.134 325 H VAL 46 H VAL 46 -6.660 21.760 -4.507 326 HA VAL 46 HA VAL 46 -5.123 22.314 -2.920 327 HB VAL 46 HB VAL 46 -7.282 22.179 -1.679 328 HG11 VAL 46 1HG1 VAL 46 -6.248 19.456 -0.960 329 HG12 VAL 46 2HG1 VAL 46 -7.828 19.902 -1.602 330 HG13 VAL 46 3HG1 VAL 46 -7.401 20.319 0.056 331 HG21 VAL 46 3HG2 VAL 46 -4.617 22.304 -0.643 332 HG22 VAL 46 1HG2 VAL 46 -5.699 21.619 0.569 333 HG23 VAL 46 2HG2 VAL 46 -6.051 23.195 -0.138 334 H PHE 47 H PHE 47 -4.340 20.033 -4.463 335 HA PHE 47 HA PHE 47 -2.173 19.109 -2.868 336 HB2 PHE 47 1HB PHE 47 -4.344 17.623 -2.340 337 HB3 PHE 47 2HB PHE 47 -3.787 16.779 -3.779 338 HD1 PHE 47 HD1 PHE 47 -0.898 16.849 -3.550 339 HD2 PHE 47 HD2 PHE 47 -3.840 16.296 -0.522 340 HE1 PHE 47 HE1 PHE 47 0.737 15.615 -2.191 341 HE2 PHE 47 HE2 PHE 47 -2.207 15.062 0.843 342 HZ PHE 47 HZ PHE 47 0.085 14.720 0.010 343 H GLY 48 H GLY 48 -4.099 17.927 -5.653 344 HA2 GLY 48 1HA GLY 48 -1.748 17.256 -7.160 345 HA3 GLY 48 2HA GLY 48 -3.404 17.221 -7.743 346 H ASP 49 H ASP 49 -0.857 19.539 -6.834 347 HA ASP 49 HA ASP 49 -1.947 21.686 -8.342 348 HB2 ASP 49 1HB ASP 49 0.764 21.203 -7.110 349 HB3 ASP 49 2HB ASP 49 0.380 22.680 -7.988 350 H ASP 50 H ASP 50 -0.727 22.797 -10.106 351 HA ASP 50 HA ASP 50 -0.210 20.916 -12.233 352 HB2 ASP 50 1HB ASP 50 -0.418 23.915 -12.114 353 HB3 ASP 50 2HB ASP 50 0.102 23.085 -13.575 354 H GLY 51 H GLY 51 1.700 22.769 -10.026 355 HA2 GLY 51 1HA GLY 51 4.053 22.955 -11.639 356 HA3 GLY 51 2HA GLY 51 3.963 23.206 -9.902 357 H GLU 52 H GLU 52 5.922 22.063 -9.587 358 HA GLU 52 HA GLU 52 5.578 19.152 -9.693 359 HB2 GLU 52 1HB GLU 52 7.219 20.438 -11.459 360 HB3 GLU 52 2HB GLU 52 8.335 20.075 -10.151 361 HG2 GLU 52 1HG GLU 52 6.633 17.824 -10.896 362 HG3 GLU 52 2HG GLU 52 7.675 18.395 -12.198 363 H LEU 53 H LEU 53 5.184 19.068 -7.487 364 HA LEU 53 HA LEU 53 7.251 20.100 -5.686 365 HB2 LEU 53 1HB LEU 53 4.686 20.403 -5.369 366 HB3 LEU 53 2HB LEU 53 4.727 18.748 -4.792 367 HG LEU 53 HG LEU 53 6.643 19.705 -3.225 368 HD11 LEU 53 1HD1 LEU 53 6.335 21.976 -4.415 369 HD12 LEU 53 2HD1 LEU 53 6.479 21.948 -2.656 370 HD13 LEU 53 3HD1 LEU 53 4.893 22.128 -3.410 371 HD21 LEU 53 3HD2 LEU 53 3.745 20.277 -2.637 372 HD22 LEU 53 1HD2 LEU 53 5.029 19.902 -1.487 373 HD23 LEU 53 2HD2 LEU 53 4.450 18.663 -2.599 374 H TYR 54 H TYR 54 8.447 18.791 -4.327 375 HA TYR 54 HA TYR 54 8.369 15.923 -4.970 376 HB2 TYR 54 1HB TYR 54 10.513 17.779 -4.861 377 HB3 TYR 54 2HB TYR 54 10.741 16.644 -3.533 378 HD1 TYR 54 HD2 TYR 54 10.502 16.985 -7.190 379 HD2 TYR 54 HD1 TYR 54 11.280 14.334 -3.952 380 HE1 TYR 54 HE2 TYR 54 11.412 15.335 -8.767 381 HE2 TYR 54 HE1 TYR 54 12.193 12.677 -5.523 382 HH TYR 54 HH TYR 54 13.140 13.345 -8.563 383 H ASP 55 H ASP 55 7.810 14.497 -3.460 384 HA ASP 55 HA ASP 55 7.843 15.357 -0.642 385 HB2 ASP 55 1HB ASP 55 5.691 14.008 -2.222 386 HB3 ASP 55 2HB ASP 55 5.855 13.620 -0.513 387 H HIS 56 H HIS 56 8.368 13.815 0.909 388 HA HIS 56 HA HIS 56 9.631 11.376 -0.153 389 HB2 HIS 56 1HB HIS 56 10.281 12.977 2.331 390 HB3 HIS 56 2HB HIS 56 11.038 11.445 1.908 391 HD1 HIS 56 HD1 HIS 56 13.005 11.539 0.352 392 HD2 HIS 56 HD2 HIS 56 10.902 15.120 0.475 393 HE1 HIS 56 HE1 HIS 56 14.399 13.181 -0.946 394 HE2 HIS 56 HE2 HIS 56 13.133 15.357 -0.813 395 H ILE 57 H ILE 57 9.446 9.429 1.071 396 HA ILE 57 HA ILE 57 7.625 9.298 3.306 397 HB ILE 57 HB ILE 57 6.201 7.526 2.159 398 HG12 ILE 57 1HG1 ILE 57 6.660 8.879 -0.436 399 HG13 ILE 57 2HG1 ILE 57 7.924 7.770 0.086 400 HG21 ILE 57 1HG2 ILE 57 5.671 10.174 0.904 401 HG22 ILE 57 2HG2 ILE 57 5.669 10.038 2.662 402 HG23 ILE 57 3HG2 ILE 57 4.562 9.058 1.700 403 HD11 ILE 57 3HD1 ILE 57 5.948 6.929 -1.381 404 HD12 ILE 57 1HD1 ILE 57 5.085 6.877 0.157 405 HD13 ILE 57 2HD1 ILE 57 6.560 5.935 -0.060 406 H ASN 58 H ASN 58 8.371 7.793 4.654 407 HA ASN 58 HA ASN 58 10.338 5.880 3.679 408 HB2 ASN 58 1HB ASN 58 9.531 6.876 6.386 409 HB3 ASN 58 2HB ASN 58 10.399 5.350 6.242 410 HD21 ASN 58 2HD2 ASN 58 12.280 6.017 7.186 411 HD22 ASN 58 1HD2 ASN 58 13.329 7.201 6.491 412 H VAL 59 H VAL 59 10.076 3.707 3.625 413 HA VAL 59 HA VAL 59 7.473 2.633 4.481 414 HB VAL 59 HB VAL 59 8.142 0.910 2.531 415 HG11 VAL 59 1HG1 VAL 59 6.296 3.056 2.868 416 HG12 VAL 59 2HG1 VAL 59 6.101 1.551 1.971 417 HG13 VAL 59 3HG1 VAL 59 6.790 2.968 1.179 418 HG21 VAL 59 3HG2 VAL 59 9.011 2.026 0.593 419 HG22 VAL 59 1HG2 VAL 59 10.151 2.236 1.922 420 HG23 VAL 59 2HG2 VAL 59 9.082 3.561 1.457 421 H LEU 60 H LEU 60 7.458 0.348 5.000 422 HA LEU 60 HA LEU 60 10.079 -0.604 5.954 423 HB2 LEU 60 1HB LEU 60 7.952 -0.004 7.518 424 HB3 LEU 60 2HB LEU 60 7.616 -1.691 7.179 425 HG LEU 60 HG LEU 60 8.822 -1.467 9.274 426 HD11 LEU 60 1HD1 LEU 60 10.953 -2.561 7.536 427 HD12 LEU 60 2HD1 LEU 60 9.350 -3.281 7.389 428 HD13 LEU 60 3HD1 LEU 60 10.165 -3.260 8.951 429 HD21 LEU 60 3HD2 LEU 60 11.025 -0.539 9.426 430 HD22 LEU 60 1HD2 LEU 60 9.969 0.662 8.682 431 HD23 LEU 60 2HD2 LEU 60 11.085 -0.269 7.684 432 H ARG 61 H ARG 61 10.801 -2.372 4.980 433 HA ARG 61 HA ARG 61 8.842 -4.259 3.856 434 HB2 ARG 61 1HB ARG 61 10.289 -4.627 1.934 435 HB3 ARG 61 2HB ARG 61 9.856 -2.927 2.049 436 HG2 ARG 61 1HG ARG 61 12.385 -3.743 3.344 437 HG3 ARG 61 2HG ARG 61 12.340 -3.774 1.581 438 HD2 ARG 61 1HD ARG 61 12.240 -1.529 1.414 439 HD3 ARG 61 2HD ARG 61 11.201 -1.364 2.831 440 HE ARG 61 HE ARG 61 13.592 -2.058 3.892 441 HH11 ARG 61 1HH1 ARG 61 12.616 0.466 1.664 442 HH12 ARG 61 2HH1 ARG 61 13.865 1.555 2.163 443 HH21 ARG 61 1HH2 ARG 61 15.228 -0.617 4.544 444 HH22 ARG 61 2HH2 ARG 61 15.347 0.940 3.798 445 H ASN 62 H ASN 62 9.355 -6.440 3.972 446 HA ASN 62 HA ASN 62 10.939 -7.250 6.159 447 HB2 ASN 62 1HB ASN 62 9.042 -8.452 4.457 448 HB3 ASN 62 2HB ASN 62 10.503 -9.426 4.318 449 HD21 ASN 62 2HD2 ASN 62 10.038 -11.177 5.497 450 HD22 ASN 62 1HD2 ASN 62 9.568 -11.155 7.158 451 H GLY 63 H GLY 63 11.781 -6.610 2.885 452 HA2 GLY 63 1HA GLY 63 14.146 -6.326 2.409 453 HA3 GLY 63 2HA GLY 63 14.452 -7.760 3.374 454 H GLU 64 H GLU 64 11.742 -7.751 1.199 455 HA GLU 64 HA GLU 64 13.266 -9.315 -0.766 456 HB2 GLU 64 1HB GLU 64 11.593 -10.487 1.026 457 HB3 GLU 64 2HB GLU 64 10.476 -10.159 -0.291 458 HG2 GLU 64 1HG GLU 64 12.402 -11.257 -1.725 459 HG3 GLU 64 2HG GLU 64 12.796 -12.003 -0.177 460 H ALA 65 H ALA 65 12.031 -9.583 -2.850 461 HA ALA 65 HA ALA 65 11.032 -7.006 -3.671 462 HB1 ALA 65 3HB ALA 65 11.538 -7.631 -5.785 463 HB2 ALA 65 1HB ALA 65 10.932 -9.272 -5.564 464 HB3 ALA 65 2HB ALA 65 12.524 -8.829 -4.948 465 H ALA 66 H ALA 66 8.972 -6.413 -3.770 466 HA ALA 66 HA ALA 66 6.890 -8.406 -3.328 467 HB1 ALA 66 3HB ALA 66 7.093 -6.169 -2.078 468 HB2 ALA 66 1HB ALA 66 5.501 -6.669 -2.646 469 HB3 ALA 66 2HB ALA 66 6.414 -5.455 -3.539 470 H ALA 67 H ALA 67 5.120 -8.713 -4.685 471 HA ALA 67 HA ALA 67 5.628 -8.168 -7.493 472 HB1 ALA 67 3HB ALA 67 4.865 -10.304 -7.392 473 HB2 ALA 67 1HB ALA 67 3.302 -9.502 -7.541 474 HB3 ALA 67 2HB ALA 67 3.889 -10.006 -5.957 475 H LEU 68 H LEU 68 3.332 -7.816 -8.731 476 HA LEU 68 HA LEU 68 1.882 -5.646 -7.397 477 HB2 LEU 68 1HB LEU 68 2.309 -4.044 -8.942 478 HB3 LEU 68 2HB LEU 68 3.804 -4.940 -9.059 479 HG LEU 68 HG LEU 68 2.573 -6.193 -11.011 480 HD11 LEU 68 1HD1 LEU 68 0.723 -5.282 -11.895 481 HD12 LEU 68 2HD1 LEU 68 1.274 -3.633 -11.605 482 HD13 LEU 68 3HD1 LEU 68 0.520 -4.552 -10.302 483 HD21 LEU 68 3HD2 LEU 68 3.417 -3.370 -11.553 484 HD22 LEU 68 1HD2 LEU 68 3.680 -4.816 -12.528 485 HD23 LEU 68 2HD2 LEU 68 4.577 -4.589 -11.028 486 H GLY 69 H GLY 69 1.976 -7.837 -10.215 487 HA2 GLY 69 1HA GLY 69 -0.926 -7.579 -10.492 488 HA3 GLY 69 2HA GLY 69 0.151 -8.393 -11.611 489 H GLU 70 H GLU 70 0.189 -8.945 -8.134 490 HA GLU 70 HA GLU 70 -1.474 -11.265 -8.211 491 HB2 GLU 70 1HB GLU 70 1.428 -11.547 -8.638 492 HB3 GLU 70 2HB GLU 70 0.772 -12.580 -7.378 493 HG2 GLU 70 1HG GLU 70 -1.034 -12.929 -9.392 494 HG3 GLU 70 2HG GLU 70 0.476 -12.727 -10.277 495 H ALA 71 H ALA 71 -2.455 -10.318 -6.420 496 HA ALA 71 HA ALA 71 -1.085 -9.410 -4.122 497 HB1 ALA 71 3HB ALA 71 -3.477 -9.974 -3.095 498 HB2 ALA 71 1HB ALA 71 -3.895 -10.025 -4.807 499 HB3 ALA 71 2HB ALA 71 -3.187 -8.565 -4.116 500 H THR 72 H THR 72 -1.760 -12.591 -5.223 501 HA THR 72 HA THR 72 -1.627 -13.788 -2.580 502 HB THR 72 HB THR 72 -3.181 -14.683 -4.277 503 HG1 THR 72 HG1 THR 72 -2.639 -16.848 -3.957 504 HG21 THR 72 3HG2 THR 72 -2.338 -16.053 -6.121 505 HG22 THR 72 1HG2 THR 72 -0.703 -15.489 -5.779 506 HG23 THR 72 2HG2 THR 72 -1.936 -14.347 -6.314 507 H ALA 73 H ALA 73 0.692 -12.303 -3.460 508 HA ALA 73 HA ALA 73 2.706 -14.278 -4.145 509 HB1 ALA 73 3HB ALA 73 3.076 -12.247 -5.230 510 HB2 ALA 73 1HB ALA 73 4.230 -12.219 -3.896 511 HB3 ALA 73 2HB ALA 73 2.729 -11.300 -3.784 512 H ALA 74 H ALA 74 4.800 -14.211 -2.840 513 HA ALA 74 HA ALA 74 4.162 -14.809 -0.089 514 HB1 ALA 74 3HB ALA 74 6.957 -14.811 -1.132 515 HB2 ALA 74 1HB ALA 74 5.819 -16.033 -1.700 516 HB3 ALA 74 2HB ALA 74 6.185 -15.902 0.019 517 H GLY 75 H GLY 75 3.559 -12.637 0.568 518 HA2 GLY 75 1HA GLY 75 4.066 -10.817 1.901 519 HA3 GLY 75 2HA GLY 75 5.763 -11.241 1.769 520 H ASP 76 H ASP 76 4.460 -8.612 1.618 521 HA ASP 76 HA ASP 76 5.546 -7.811 -0.987 522 HB2 ASP 76 1HB ASP 76 3.732 -6.146 -1.249 523 HB3 ASP 76 2HB ASP 76 3.144 -7.802 -1.277 524 H GLU 77 H GLU 77 4.449 -6.618 2.173 525 HA GLU 77 HA GLU 77 6.898 -5.228 2.615 526 HB2 GLU 77 1HB GLU 77 5.621 -2.959 2.882 527 HB3 GLU 77 2HB GLU 77 6.186 -3.456 1.294 528 HG2 GLU 77 1HG GLU 77 3.692 -4.529 1.331 529 HG3 GLU 77 2HG GLU 77 3.462 -3.083 2.307 530 H LEU 78 H LEU 78 6.266 -3.483 4.577 531 HA LEU 78 HA LEU 78 4.770 -5.118 6.519 532 HB2 LEU 78 1HB LEU 78 7.441 -4.015 6.604 533 HB3 LEU 78 2HB LEU 78 6.478 -3.399 7.931 534 HG LEU 78 HG LEU 78 7.718 -5.376 8.610 535 HD11 LEU 78 1HD1 LEU 78 4.753 -5.411 8.520 536 HD12 LEU 78 2HD1 LEU 78 5.848 -5.320 9.901 537 HD13 LEU 78 3HD1 LEU 78 5.581 -6.861 9.087 538 HD21 LEU 78 3HD2 LEU 78 6.203 -6.787 6.418 539 HD22 LEU 78 1HD2 LEU 78 7.215 -7.570 7.632 540 HD23 LEU 78 2HD2 LEU 78 7.938 -6.473 6.457 541 H ALA 79 H ALA 79 5.678 -1.797 5.607 542 HA ALA 79 HA ALA 79 3.060 -0.794 6.088 543 HB1 ALA 79 3HB ALA 79 5.105 -0.472 8.240 544 HB2 ALA 79 1HB ALA 79 3.365 -0.738 8.365 545 HB3 ALA 79 2HB ALA 79 3.984 0.851 7.925 546 H LEU 80 H LEU 80 3.131 1.733 6.077 547 HA LEU 80 HA LEU 80 5.412 2.890 4.719 548 HB2 LEU 80 1HB LEU 80 4.300 1.970 2.818 549 HB3 LEU 80 2HB LEU 80 2.740 2.548 3.361 550 HG LEU 80 HG LEU 80 4.883 4.543 2.755 551 HD11 LEU 80 1HD1 LEU 80 3.109 3.807 0.519 552 HD12 LEU 80 2HD1 LEU 80 4.406 2.669 0.887 553 HD13 LEU 80 3HD1 LEU 80 4.788 4.349 0.512 554 HD21 LEU 80 3HD2 LEU 80 2.591 5.535 1.774 555 HD22 LEU 80 1HD2 LEU 80 3.092 5.732 3.453 556 HD23 LEU 80 2HD2 LEU 80 1.942 4.467 3.018 557 H PHE 81 H PHE 81 5.706 4.783 5.702 558 HA PHE 81 HA PHE 81 3.378 6.479 6.243 559 HB2 PHE 81 1HB PHE 81 5.403 5.612 8.308 560 HB3 PHE 81 2HB PHE 81 4.384 7.031 8.516 561 HD1 PHE 81 HD1 PHE 81 4.282 3.362 7.992 562 HD2 PHE 81 HD2 PHE 81 2.199 6.826 9.326 563 HE1 PHE 81 HE1 PHE 81 2.488 1.936 8.884 564 HE2 PHE 81 HE2 PHE 81 0.402 5.406 10.220 565 HZ PHE 81 HZ PHE 81 0.544 2.956 9.999 566 HA PRO 82 HA PRO 82 6.176 9.548 4.668 567 HB2 PRO 82 1HB PRO 82 4.678 11.739 5.086 568 HB3 PRO 82 2HB PRO 82 4.244 10.534 3.867 569 HG2 PRO 82 1HG PRO 82 3.149 10.921 6.624 570 HG3 PRO 82 2HG PRO 82 2.287 10.556 5.118 571 HD2 PRO 82 1HD PRO 82 2.937 8.675 7.007 572 HD3 PRO 82 2HD PRO 82 2.700 8.312 5.287 573 HA PRO 83 HA PRO 83 8.532 11.421 7.903 574 HB2 PRO 83 1HB PRO 83 8.771 14.045 7.080 575 HB3 PRO 83 2HB PRO 83 9.750 12.709 6.468 576 HG2 PRO 83 1HG PRO 83 7.326 13.985 5.272 577 HG3 PRO 83 2HG PRO 83 8.811 13.431 4.477 578 HD2 PRO 83 1HD PRO 83 6.550 11.993 4.383 579 HD3 PRO 83 2HD PRO 83 8.142 11.213 4.492 580 H VAL 84 H VAL 84 8.006 12.072 9.895 581 HA VAL 84 HA VAL 84 5.435 13.010 10.544 582 HB VAL 84 HB VAL 84 7.897 13.201 12.290 583 HG11 VAL 84 1HG1 VAL 84 5.451 14.249 12.780 584 HG12 VAL 84 2HG1 VAL 84 6.552 13.678 14.032 585 HG13 VAL 84 3HG1 VAL 84 5.255 12.633 13.455 586 HG21 VAL 84 3HG2 VAL 84 7.853 10.994 12.673 587 HG22 VAL 84 1HG2 VAL 84 6.920 10.888 11.181 588 HG23 VAL 84 2HG2 VAL 84 6.092 10.947 12.735 589 H SER 85 H SER 85 4.595 14.997 10.818 590 HA SER 85 HA SER 85 6.341 17.302 10.293 591 HB2 SER 85 1HB SER 85 4.075 16.627 8.990 592 HB3 SER 85 2HB SER 85 3.396 17.650 10.257 593 HG SER 85 HG SER 85 4.007 18.815 8.354 594 H GLY 86 H GLY 86 5.524 19.392 11.368 595 HA2 GLY 86 1HA GLY 86 4.033 19.424 13.711 596 HA3 GLY 86 2HA GLY 86 5.677 19.039 14.187 597 H GLY 87 H GLY 87 6.972 20.697 12.182 598 HA2 GLY 87 1HA GLY 87 6.702 23.237 13.553 599 HA3 GLY 87 2HA GLY 87 7.926 22.818 12.365 Start of MODEL 4 1 H1 MET 1 1H MET 1 2.095 -9.290 4.799 2 H2 MET 1 2H MET 1 2.813 -8.334 3.569 3 H3 MET 1 3H MET 1 2.874 -10.045 3.473 4 HA MET 1 HA MET 1 1.231 -8.921 2.014 5 HB2 MET 1 1HB MET 1 -0.423 -10.677 2.419 6 HB3 MET 1 2HB MET 1 1.205 -11.316 2.584 7 HG2 MET 1 1HG MET 1 0.404 -10.458 5.147 8 HG3 MET 1 2HG MET 1 -0.948 -11.354 4.455 9 HE1 MET 1 3HE MET 1 1.497 -13.823 2.736 10 HE2 MET 1 1HE MET 1 -0.152 -13.197 2.730 11 HE3 MET 1 2HE MET 1 0.225 -14.679 3.609 12 H GLU 2 H GLU 2 1.440 -6.851 3.856 13 HA GLU 2 HA GLU 2 -1.371 -6.194 4.248 14 HB2 GLU 2 1HB GLU 2 0.497 -5.585 6.510 15 HB3 GLU 2 2HB GLU 2 -1.256 -5.694 6.518 16 HG2 GLU 2 1HG GLU 2 -1.167 -8.086 6.415 17 HG3 GLU 2 2HG GLU 2 0.580 -8.055 6.187 18 H TRP 3 H TRP 3 -1.641 -3.850 4.858 19 HA TRP 3 HA TRP 3 0.594 -2.120 4.203 20 HB2 TRP 3 1HB TRP 3 -1.065 -2.884 2.135 21 HB3 TRP 3 2HB TRP 3 -1.779 -1.361 2.649 22 HD1 TRP 3 HD TRP 3 1.435 -0.405 3.443 23 HE1 TRP 3 HE1 TRP 3 2.776 0.583 1.486 24 HE3 TRP 3 HE3 TRP 3 -1.376 -2.167 -0.453 25 HZ2 TRP 3 HZ2 TRP 3 2.661 0.619 -1.329 26 HZ3 TRP 3 HZ3 TRP 3 -0.687 -1.607 -2.746 27 HH2 TRP 3 HH TRP 3 1.290 -0.244 -3.171 28 H LYS 4 H LYS 4 0.460 -0.157 5.176 29 HA LYS 4 HA LYS 4 -2.096 0.655 6.378 30 HB2 LYS 4 1HB LYS 4 0.459 0.039 7.759 31 HB3 LYS 4 2HB LYS 4 -0.380 1.489 8.293 32 HG2 LYS 4 1HG LYS 4 -2.311 0.248 8.904 33 HG3 LYS 4 2HG LYS 4 -1.695 -1.210 8.122 34 HD2 LYS 4 1HD LYS 4 0.298 -0.901 9.790 35 HD3 LYS 4 2HD LYS 4 -0.867 0.067 10.695 36 HE2 LYS 4 1HE LYS 4 -2.429 -1.865 10.637 37 HE3 LYS 4 2HE LYS 4 -1.162 -2.819 9.866 38 HZ1 LYS 4 3HZ LYS 4 -1.029 -3.324 12.131 39 HZ2 LYS 4 1HZ LYS 4 -1.205 -1.709 12.610 40 HZ3 LYS 4 2HZ LYS 4 0.232 -2.226 11.880 41 H LEU 5 H LEU 5 -2.342 2.922 6.649 42 HA LEU 5 HA LEU 5 -0.222 4.568 5.437 43 HB2 LEU 5 1HB LEU 5 -3.058 4.301 4.637 44 HB3 LEU 5 2HB LEU 5 -2.417 5.931 4.671 45 HG LEU 5 HG LEU 5 -2.205 5.093 2.440 46 HD11 LEU 5 1HD1 LEU 5 0.547 4.859 3.623 47 HD12 LEU 5 2HD1 LEU 5 -0.300 6.398 3.481 48 HD13 LEU 5 3HD1 LEU 5 0.084 5.466 2.034 49 HD21 LEU 5 3HD2 LEU 5 -2.086 2.630 3.472 50 HD22 LEU 5 1HD2 LEU 5 -0.371 2.887 3.155 51 HD23 LEU 5 2HD2 LEU 5 -1.540 3.013 1.841 52 H PHE 6 H PHE 6 -0.146 6.758 6.104 53 HA PHE 6 HA PHE 6 -1.185 7.159 8.803 54 HB2 PHE 6 1HB PHE 6 1.152 8.071 7.295 55 HB3 PHE 6 2HB PHE 6 0.379 9.363 8.203 56 HD1 PHE 6 HD1 PHE 6 -0.535 8.026 10.620 57 HD2 PHE 6 HD2 PHE 6 3.074 7.513 8.424 58 HE1 PHE 6 HE1 PHE 6 0.596 7.260 12.665 59 HE2 PHE 6 HE2 PHE 6 4.210 6.745 10.464 60 HZ PHE 6 HZ PHE 6 2.972 6.617 12.589 61 H ALA 7 H ALA 7 -1.421 9.788 9.130 62 HA ALA 7 HA ALA 7 -3.935 10.430 8.113 63 HB1 ALA 7 3HB ALA 7 -3.114 12.858 8.792 64 HB2 ALA 7 1HB ALA 7 -1.829 11.928 9.565 65 HB3 ALA 7 2HB ALA 7 -3.512 11.631 9.996 66 H ASP 8 H ASP 8 -0.810 10.862 6.657 67 HA ASP 8 HA ASP 8 -1.151 13.009 4.976 68 HB2 ASP 8 1HB ASP 8 0.398 10.483 4.830 69 HB3 ASP 8 2HB ASP 8 0.167 11.339 3.309 70 H LEU 9 H LEU 9 -2.435 9.751 4.637 71 HA LEU 9 HA LEU 9 -4.045 10.683 2.345 72 HB2 LEU 9 1HB LEU 9 -3.340 7.804 2.835 73 HB3 LEU 9 2HB LEU 9 -3.931 8.544 1.364 74 HG LEU 9 HG LEU 9 -1.159 8.733 2.532 75 HD11 LEU 9 1HD1 LEU 9 -1.114 6.829 1.302 76 HD12 LEU 9 2HD1 LEU 9 -0.817 7.984 0.003 77 HD13 LEU 9 3HD1 LEU 9 -2.438 7.337 0.256 78 HD21 LEU 9 3HD2 LEU 9 -0.894 10.718 1.567 79 HD22 LEU 9 1HD2 LEU 9 -2.546 10.684 0.955 80 HD23 LEU 9 2HD2 LEU 9 -1.240 9.975 0.006 81 H ALA 10 H ALA 10 -4.017 8.792 5.340 82 HA ALA 10 HA ALA 10 -6.743 7.964 5.115 83 HB1 ALA 10 3HB ALA 10 -5.557 8.098 7.809 84 HB2 ALA 10 1HB ALA 10 -4.705 7.098 6.632 85 HB3 ALA 10 2HB ALA 10 -6.398 6.777 6.996 86 H GLU 11 H GLU 11 -5.512 10.987 5.594 87 HA GLU 11 HA GLU 11 -7.532 11.850 7.510 88 HB2 GLU 11 1HB GLU 11 -5.240 12.756 7.655 89 HB3 GLU 11 2HB GLU 11 -5.413 13.426 6.037 90 HG2 GLU 11 1HG GLU 11 -7.590 14.312 7.664 91 HG3 GLU 11 2HG GLU 11 -6.068 14.617 8.500 92 H VAL 12 H VAL 12 -6.849 11.881 4.095 93 HA VAL 12 HA VAL 12 -9.042 13.718 3.530 94 HB VAL 12 HB VAL 12 -7.087 12.383 1.663 95 HG11 VAL 12 1HG1 VAL 12 -8.453 12.970 0.014 96 HG12 VAL 12 2HG1 VAL 12 -8.218 14.655 0.469 97 HG13 VAL 12 3HG1 VAL 12 -9.564 13.738 1.146 98 HG21 VAL 12 3HG2 VAL 12 -6.121 14.052 3.237 99 HG22 VAL 12 1HG2 VAL 12 -7.213 15.257 2.555 100 HG23 VAL 12 2HG2 VAL 12 -5.983 14.507 1.539 101 H ALA 13 H ALA 13 -8.198 10.306 3.162 102 HA ALA 13 HA ALA 13 -10.744 9.778 1.828 103 HB1 ALA 13 3HB ALA 13 -8.989 8.620 0.789 104 HB2 ALA 13 1HB ALA 13 -9.820 7.403 1.757 105 HB3 ALA 13 2HB ALA 13 -8.304 8.100 2.330 106 H GLY 14 H GLY 14 -8.986 8.903 4.786 107 HA2 GLY 14 1HA GLY 14 -10.503 8.921 6.803 108 HA3 GLY 14 2HA GLY 14 -11.505 7.812 5.877 109 H SER 15 H SER 15 -9.453 6.243 4.737 110 HA SER 15 HA SER 15 -7.656 5.248 6.699 111 HB2 SER 15 1HB SER 15 -10.152 4.436 7.294 112 HB3 SER 15 2HB SER 15 -9.706 3.169 6.152 113 HG SER 15 HG SER 15 -9.142 3.082 8.598 114 H ARG 16 H ARG 16 -6.168 3.867 5.826 115 HA ARG 16 HA ARG 16 -6.689 2.777 3.152 116 HB2 ARG 16 1HB ARG 16 -4.925 4.969 3.757 117 HB3 ARG 16 2HB ARG 16 -3.990 3.608 3.157 118 HG2 ARG 16 1HG ARG 16 -6.427 4.630 1.735 119 HG3 ARG 16 2HG ARG 16 -4.810 5.277 1.448 120 HD2 ARG 16 1HD ARG 16 -4.677 3.670 -0.110 121 HD3 ARG 16 2HD ARG 16 -4.345 2.612 1.259 122 HE ARG 16 HE ARG 16 -6.418 1.654 0.995 123 HH11 ARG 16 1HH1 ARG 16 -6.234 4.541 -0.975 124 HH12 ARG 16 2HH1 ARG 16 -7.698 4.199 -1.832 125 HH21 ARG 16 1HH2 ARG 16 -8.346 1.203 -0.147 126 HH22 ARG 16 2HH2 ARG 16 -8.894 2.305 -1.367 127 H THR 17 H THR 17 -6.465 1.617 5.886 128 HA THR 17 HA THR 17 -4.025 0.027 5.651 129 HB THR 17 HB THR 17 -4.327 -0.626 7.905 130 HG1 THR 17 HG1 THR 17 -6.992 0.207 7.557 131 HG21 THR 17 3HG2 THR 17 -4.845 1.493 9.150 132 HG22 THR 17 1HG2 THR 17 -5.152 2.233 7.580 133 HG23 THR 17 2HG2 THR 17 -3.554 1.586 7.954 134 H VAL 18 H VAL 18 -4.152 -1.731 4.435 135 HA VAL 18 HA VAL 18 -6.575 -3.399 4.624 136 HB VAL 18 HB VAL 18 -4.996 -3.223 2.075 137 HG11 VAL 18 1HG1 VAL 18 -6.454 -5.036 2.018 138 HG12 VAL 18 2HG1 VAL 18 -7.351 -3.764 1.189 139 HG13 VAL 18 3HG1 VAL 18 -7.731 -4.163 2.865 140 HG21 VAL 18 3HG2 VAL 18 -7.129 -1.334 3.022 141 HG22 VAL 18 1HG2 VAL 18 -6.834 -1.619 1.307 142 HG23 VAL 18 2HG2 VAL 18 -5.553 -0.960 2.325 143 H ARG 19 H ARG 19 -6.248 -5.674 4.128 144 HA ARG 19 HA ARG 19 -3.470 -6.597 4.438 145 HB2 ARG 19 1HB ARG 19 -5.683 -6.979 6.259 146 HB3 ARG 19 2HB ARG 19 -5.111 -8.528 5.654 147 HG2 ARG 19 1HG ARG 19 -3.512 -8.455 7.181 148 HG3 ARG 19 2HG ARG 19 -2.802 -7.105 6.296 149 HD2 ARG 19 1HD ARG 19 -4.999 -6.696 8.298 150 HD3 ARG 19 2HD ARG 19 -3.307 -6.782 8.786 151 HE ARG 19 HE ARG 19 -3.777 -4.901 6.672 152 HH11 ARG 19 1HH1 ARG 19 -3.798 -5.361 10.139 153 HH12 ARG 19 2HH1 ARG 19 -3.628 -3.676 10.488 154 HH21 ARG 19 1HH2 ARG 19 -3.551 -2.677 7.136 155 HH22 ARG 19 2HH2 ARG 19 -3.490 -2.152 8.785 156 H VAL 20 H VAL 20 -2.970 -8.593 3.451 157 HA VAL 20 HA VAL 20 -4.919 -9.406 1.399 158 HB VAL 20 HB VAL 20 -1.953 -9.979 1.400 159 HG11 VAL 20 1HG1 VAL 20 -3.511 -9.883 -1.103 160 HG12 VAL 20 2HG1 VAL 20 -3.872 -11.229 -0.021 161 HG13 VAL 20 3HG1 VAL 20 -2.226 -10.984 -0.603 162 HG21 VAL 20 3HG2 VAL 20 -2.563 -7.517 1.325 163 HG22 VAL 20 1HG2 VAL 20 -3.325 -7.854 -0.229 164 HG23 VAL 20 2HG2 VAL 20 -1.596 -8.124 -0.018 165 H ASP 21 H ASP 21 -5.933 -11.258 1.690 166 HA ASP 21 HA ASP 21 -4.563 -13.467 3.049 167 HB2 ASP 21 1HB ASP 21 -7.013 -12.077 3.872 168 HB3 ASP 21 2HB ASP 21 -7.183 -13.824 3.785 169 H VAL 22 H VAL 22 -7.467 -12.569 1.220 170 HA VAL 22 HA VAL 22 -7.616 -15.221 0.035 171 HB VAL 22 HB VAL 22 -9.685 -14.128 0.817 172 HG11 VAL 22 1HG1 VAL 22 -10.597 -12.286 -0.719 173 HG12 VAL 22 2HG1 VAL 22 -8.920 -12.059 -1.219 174 HG13 VAL 22 3HG1 VAL 22 -9.374 -11.840 0.470 175 HG21 VAL 22 3HG2 VAL 22 -9.669 -15.791 -1.054 176 HG22 VAL 22 1HG2 VAL 22 -9.720 -14.436 -2.181 177 HG23 VAL 22 2HG2 VAL 22 -11.051 -14.698 -1.055 178 H ASP 23 H ASP 23 -7.674 -15.573 -2.242 179 HA ASP 23 HA ASP 23 -6.055 -13.634 -3.742 180 HB2 ASP 23 1HB ASP 23 -6.271 -16.594 -3.754 181 HB3 ASP 23 2HB ASP 23 -5.993 -15.823 -5.309 182 H GLY 24 H GLY 24 -6.689 -12.861 -5.729 183 HA2 GLY 24 1HA GLY 24 -9.033 -13.867 -7.067 184 HA3 GLY 24 2HA GLY 24 -9.300 -12.320 -6.283 185 H ASP 25 H ASP 25 -8.876 -10.544 -7.436 186 HA ASP 25 HA ASP 25 -7.033 -10.771 -9.726 187 HB2 ASP 25 1HB ASP 25 -9.750 -10.457 -9.950 188 HB3 ASP 25 2HB ASP 25 -9.189 -8.790 -10.014 189 H ALA 26 H ALA 26 -6.307 -9.886 -7.139 190 HA ALA 26 HA ALA 26 -5.889 -7.000 -7.583 191 HB1 ALA 26 3HB ALA 26 -7.141 -8.052 -5.457 192 HB2 ALA 26 1HB ALA 26 -6.185 -6.574 -5.378 193 HB3 ALA 26 2HB ALA 26 -5.479 -8.109 -4.872 194 H THR 27 H THR 27 -3.832 -6.259 -7.732 195 HA THR 27 HA THR 27 -1.668 -8.196 -7.241 196 HB THR 27 HB THR 27 -0.858 -5.990 -8.916 197 HG1 THR 27 HG1 THR 27 -2.215 -6.299 -10.627 198 HG21 THR 27 3HG2 THR 27 0.379 -7.591 -9.783 199 HG22 THR 27 1HG2 THR 27 -1.056 -8.450 -10.336 200 HG23 THR 27 2HG2 THR 27 -0.414 -8.753 -8.722 201 H VAL 28 H VAL 28 0.496 -7.116 -6.785 202 HA VAL 28 HA VAL 28 0.198 -5.441 -4.477 203 HB VAL 28 HB VAL 28 2.766 -6.188 -5.887 204 HG11 VAL 28 1HG1 VAL 28 3.381 -6.034 -3.267 205 HG12 VAL 28 2HG1 VAL 28 2.107 -4.819 -3.364 206 HG13 VAL 28 3HG1 VAL 28 3.532 -4.687 -4.393 207 HG21 VAL 28 3HG2 VAL 28 2.625 -7.836 -3.721 208 HG22 VAL 28 1HG2 VAL 28 2.216 -8.301 -5.371 209 HG23 VAL 28 2HG2 VAL 28 0.945 -7.804 -4.254 210 H GLY 29 H GLY 29 1.348 -5.048 -7.788 211 HA2 GLY 29 1HA GLY 29 2.089 -2.298 -7.355 212 HA3 GLY 29 2HA GLY 29 2.158 -3.163 -8.880 213 H ASP 30 H ASP 30 -0.602 -4.074 -8.756 214 HA ASP 30 HA ASP 30 -1.883 -2.004 -10.123 215 HB2 ASP 30 1HB ASP 30 -2.583 -4.318 -10.370 216 HB3 ASP 30 2HB ASP 30 -3.055 -4.392 -8.676 217 H ALA 31 H ALA 31 -2.174 -3.039 -6.738 218 HA ALA 31 HA ALA 31 -4.047 -0.964 -6.072 219 HB1 ALA 31 3HB ALA 31 -3.507 -3.339 -4.935 220 HB2 ALA 31 1HB ALA 31 -4.267 -2.001 -4.072 221 HB3 ALA 31 2HB ALA 31 -2.534 -2.286 -3.908 222 H LEU 32 H LEU 32 -0.580 -1.325 -6.113 223 HA LEU 32 HA LEU 32 0.099 0.714 -4.294 224 HB2 LEU 32 1HB LEU 32 1.751 -0.893 -5.034 225 HB3 LEU 32 2HB LEU 32 1.577 -0.364 -6.696 226 HG LEU 32 HG LEU 32 2.297 1.962 -5.398 227 HD11 LEU 32 1HD1 LEU 32 4.504 0.938 -4.305 228 HD12 LEU 32 2HD1 LEU 32 3.381 -0.373 -3.944 229 HD13 LEU 32 3HD1 LEU 32 3.038 1.262 -3.379 230 HD21 LEU 32 3HD2 LEU 32 4.301 0.074 -6.590 231 HD22 LEU 32 1HD2 LEU 32 4.256 1.835 -6.671 232 HD23 LEU 32 2HD2 LEU 32 3.083 0.881 -7.578 233 H ASP 33 H ASP 33 0.125 0.804 -7.867 234 HA ASP 33 HA ASP 33 0.450 3.572 -8.094 235 HB2 ASP 33 1HB ASP 33 0.045 3.290 -10.389 236 HB3 ASP 33 2HB ASP 33 0.732 1.756 -9.874 237 H ALA 34 H ALA 34 -2.441 1.610 -7.712 238 HA ALA 34 HA ALA 34 -4.313 3.646 -8.332 239 HB1 ALA 34 3HB ALA 34 -4.939 1.298 -8.410 240 HB2 ALA 34 1HB ALA 34 -5.973 2.179 -7.282 241 HB3 ALA 34 2HB ALA 34 -4.671 1.156 -6.672 242 H LEU 35 H LEU 35 -3.134 2.358 -5.230 243 HA LEU 35 HA LEU 35 -4.589 4.186 -3.624 244 HB2 LEU 35 1HB LEU 35 -2.367 2.253 -3.174 245 HB3 LEU 35 2HB LEU 35 -2.664 3.467 -1.947 246 HG LEU 35 HG LEU 35 -4.994 2.666 -1.740 247 HD11 LEU 35 1HD1 LEU 35 -4.898 1.669 -4.147 248 HD12 LEU 35 2HD1 LEU 35 -5.868 0.884 -2.904 249 HD13 LEU 35 3HD1 LEU 35 -4.281 0.239 -3.320 250 HD21 LEU 35 3HD2 LEU 35 -2.941 1.753 -0.453 251 HD22 LEU 35 1HD2 LEU 35 -3.203 0.296 -1.412 252 HD23 LEU 35 2HD2 LEU 35 -4.476 0.893 -0.349 253 H VAL 36 H VAL 36 -1.665 4.516 -5.424 254 HA VAL 36 HA VAL 36 -0.609 6.669 -3.809 255 HB VAL 36 HB VAL 36 0.258 5.555 -6.478 256 HG11 VAL 36 1HG1 VAL 36 1.063 7.685 -6.705 257 HG12 VAL 36 2HG1 VAL 36 2.387 6.953 -5.797 258 HG13 VAL 36 3HG1 VAL 36 1.189 7.942 -4.965 259 HG21 VAL 36 3HG2 VAL 36 2.024 5.466 -4.123 260 HG22 VAL 36 1HG2 VAL 36 1.712 4.247 -5.360 261 HG23 VAL 36 2HG2 VAL 36 0.576 4.464 -4.028 262 H GLY 37 H GLY 37 -2.166 6.393 -7.019 263 HA2 GLY 37 1HA GLY 37 -2.694 9.298 -6.850 264 HA3 GLY 37 2HA GLY 37 -2.078 8.587 -8.328 265 H ALA 38 H ALA 38 -3.748 6.202 -8.171 266 HA ALA 38 HA ALA 38 -6.035 7.218 -9.511 267 HB1 ALA 38 3HB ALA 38 -6.458 5.080 -10.138 268 HB2 ALA 38 1HB ALA 38 -6.024 4.408 -8.568 269 HB3 ALA 38 2HB ALA 38 -4.761 4.908 -9.692 270 H HIS 39 H HIS 39 -5.508 7.203 -6.237 271 HA HIS 39 HA HIS 39 -8.377 6.910 -5.679 272 HB2 HIS 39 1HB HIS 39 -6.000 5.874 -4.233 273 HB3 HIS 39 2HB HIS 39 -7.307 6.510 -3.240 274 HD1 HIS 39 HD1 HIS 39 -6.227 3.493 -4.865 275 HD2 HIS 39 HD2 HIS 39 -9.899 5.204 -3.943 276 HE1 HIS 39 HE1 HIS 39 -7.891 1.610 -4.971 277 HE2 HIS 39 HE2 HIS 39 -10.110 2.671 -4.423 278 HA PRO 40 HA PRO 40 -6.844 11.360 -5.024 279 HB2 PRO 40 1HB PRO 40 -9.662 11.611 -5.976 280 HB3 PRO 40 2HB PRO 40 -8.266 12.632 -6.338 281 HG2 PRO 40 1HG PRO 40 -9.119 10.904 -8.138 282 HG3 PRO 40 2HG PRO 40 -7.379 11.084 -7.845 283 HD2 PRO 40 1HD PRO 40 -9.238 8.919 -6.948 284 HD3 PRO 40 2HD PRO 40 -7.553 8.807 -7.501 285 H ALA 41 H ALA 41 -9.475 9.348 -3.932 286 HA ALA 41 HA ALA 41 -10.886 10.951 -2.213 287 HB1 ALA 41 3HB ALA 41 -11.627 9.021 -1.155 288 HB2 ALA 41 1HB ALA 41 -10.094 8.184 -1.389 289 HB3 ALA 41 2HB ALA 41 -11.171 8.453 -2.760 290 H LEU 42 H LEU 42 -7.644 9.667 -1.766 291 HA LEU 42 HA LEU 42 -7.546 10.833 0.932 292 HB2 LEU 42 1HB LEU 42 -5.534 9.467 1.253 293 HB3 LEU 42 2HB LEU 42 -6.951 8.506 0.883 294 HG LEU 42 HG LEU 42 -6.085 8.484 -1.536 295 HD11 LEU 42 1HD1 LEU 42 -3.912 9.887 -0.139 296 HD12 LEU 42 2HD1 LEU 42 -4.375 9.909 -1.841 297 HD13 LEU 42 3HD1 LEU 42 -3.404 8.578 -1.208 298 HD21 LEU 42 3HD2 LEU 42 -4.202 6.789 -0.686 299 HD22 LEU 42 1HD2 LEU 42 -5.924 6.423 -0.617 300 HD23 LEU 42 2HD2 LEU 42 -5.088 7.008 0.822 301 H GLU 43 H GLU 43 -6.684 11.561 -2.214 302 HA GLU 43 HA GLU 43 -5.021 13.751 -1.377 303 HB2 GLU 43 1HB GLU 43 -3.371 11.919 -1.508 304 HB3 GLU 43 2HB GLU 43 -3.847 11.614 -3.171 305 HG2 GLU 43 1HG GLU 43 -2.022 12.892 -3.558 306 HG3 GLU 43 2HG GLU 43 -3.224 14.174 -3.429 307 H SER 44 H SER 44 -7.109 14.550 -2.331 308 HA SER 44 HA SER 44 -7.551 14.333 -5.138 309 HB2 SER 44 1HB SER 44 -9.081 15.128 -3.026 310 HB3 SER 44 2HB SER 44 -8.692 16.682 -3.764 311 HG SER 44 HG SER 44 -10.023 14.465 -4.911 312 H ARG 45 H ARG 45 -5.769 16.573 -3.109 313 HA ARG 45 HA ARG 45 -4.773 17.898 -5.534 314 HB2 ARG 45 1HB ARG 45 -5.540 19.328 -2.978 315 HB3 ARG 45 2HB ARG 45 -4.810 20.072 -4.393 316 HG2 ARG 45 1HG ARG 45 -6.772 20.280 -5.422 317 HG3 ARG 45 2HG ARG 45 -7.249 18.626 -5.035 318 HD2 ARG 45 1HD ARG 45 -7.803 19.398 -2.729 319 HD3 ARG 45 2HD ARG 45 -7.477 21.048 -3.253 320 HE ARG 45 HE ARG 45 -9.826 19.502 -3.783 321 HH11 ARG 45 1HH1 ARG 45 -7.814 22.095 -5.008 322 HH12 ARG 45 2HH1 ARG 45 -9.091 22.821 -5.926 323 HH21 ARG 45 1HH2 ARG 45 -11.507 20.466 -4.991 324 HH22 ARG 45 2HH2 ARG 45 -11.188 21.896 -5.914 325 H VAL 46 H VAL 46 -2.613 17.849 -5.632 326 HA VAL 46 HA VAL 46 -1.124 17.127 -3.212 327 HB VAL 46 HB VAL 46 0.025 17.245 -5.998 328 HG11 VAL 46 1HG1 VAL 46 1.269 16.883 -3.632 329 HG12 VAL 46 2HG1 VAL 46 1.826 16.179 -5.149 330 HG13 VAL 46 3HG1 VAL 46 0.864 15.213 -4.029 331 HG21 VAL 46 3HG2 VAL 46 -1.588 15.726 -6.507 332 HG22 VAL 46 1HG2 VAL 46 -1.830 15.251 -4.826 333 HG23 VAL 46 2HG2 VAL 46 -0.449 14.628 -5.727 334 H PHE 47 H PHE 47 -2.073 19.789 -3.386 335 HA PHE 47 HA PHE 47 -1.421 21.930 -3.048 336 HB2 PHE 47 1HB PHE 47 1.053 20.395 -2.397 337 HB3 PHE 47 2HB PHE 47 1.169 22.147 -2.525 338 HD1 PHE 47 HD2 PHE 47 -0.522 19.388 -0.741 339 HD2 PHE 47 HD1 PHE 47 0.361 23.551 -0.817 340 HE1 PHE 47 HE2 PHE 47 -1.377 19.609 1.556 341 HE2 PHE 47 HE1 PHE 47 -0.491 23.778 1.478 342 HZ PHE 47 HZ PHE 47 -1.362 21.807 2.669 343 H GLY 48 H GLY 48 -1.789 22.934 -4.942 344 HA2 GLY 48 1HA GLY 48 -0.842 24.400 -6.570 345 HA3 GLY 48 2HA GLY 48 0.541 23.325 -6.691 346 H ASP 49 H ASP 49 -0.990 20.890 -6.913 347 HA ASP 49 HA ASP 49 -2.022 19.555 -8.415 348 HB2 ASP 49 1HB ASP 49 -3.156 22.070 -9.657 349 HB3 ASP 49 2HB ASP 49 -3.745 20.426 -9.877 350 H ASP 50 H ASP 50 -1.203 22.472 -10.338 351 HA ASP 50 HA ASP 50 0.222 20.729 -12.223 352 HB2 ASP 50 1HB ASP 50 -1.225 23.298 -12.448 353 HB3 ASP 50 2HB ASP 50 0.230 23.160 -13.431 354 H GLY 51 H GLY 51 1.365 21.468 -9.635 355 HA2 GLY 51 1HA GLY 51 3.413 23.441 -10.202 356 HA3 GLY 51 2HA GLY 51 3.211 22.542 -8.707 357 H GLU 52 H GLU 52 3.822 20.218 -8.776 358 HA GLU 52 HA GLU 52 5.653 19.414 -10.867 359 HB2 GLU 52 1HB GLU 52 6.719 20.822 -8.748 360 HB3 GLU 52 2HB GLU 52 6.953 19.150 -8.258 361 HG2 GLU 52 1HG GLU 52 7.817 20.241 -10.921 362 HG3 GLU 52 2HG GLU 52 8.858 20.174 -9.501 363 H LEU 53 H LEU 53 6.008 17.205 -10.934 364 HA LEU 53 HA LEU 53 4.213 15.629 -9.261 365 HB2 LEU 53 1HB LEU 53 4.740 15.527 -11.926 366 HB3 LEU 53 2HB LEU 53 5.813 14.273 -11.335 367 HG LEU 53 HG LEU 53 3.819 13.235 -10.191 368 HD11 LEU 53 1HD1 LEU 53 2.112 14.708 -10.001 369 HD12 LEU 53 2HD1 LEU 53 1.660 14.014 -11.558 370 HD13 LEU 53 3HD1 LEU 53 2.523 15.551 -11.496 371 HD21 LEU 53 3HD2 LEU 53 4.809 12.821 -12.636 372 HD22 LEU 53 1HD2 LEU 53 3.172 13.307 -13.079 373 HD23 LEU 53 2HD2 LEU 53 3.423 11.933 -12.004 374 H TYR 54 H TYR 54 5.213 15.400 -7.310 375 HA TYR 54 HA TYR 54 7.770 13.939 -7.318 376 HB2 TYR 54 1HB TYR 54 8.323 15.071 -5.180 377 HB3 TYR 54 2HB TYR 54 8.190 16.191 -6.528 378 HD1 TYR 54 HD1 TYR 54 6.091 17.587 -6.746 379 HD2 TYR 54 HD2 TYR 54 6.967 15.310 -3.259 380 HE1 TYR 54 HE1 TYR 54 4.477 18.930 -5.470 381 HE2 TYR 54 HE2 TYR 54 5.354 16.647 -1.974 382 HH TYR 54 HH TYR 54 4.341 18.990 -2.151 383 H ASP 55 H ASP 55 7.670 11.991 -6.422 384 HA ASP 55 HA ASP 55 5.444 11.402 -4.585 385 HB2 ASP 55 1HB ASP 55 5.902 10.172 -6.930 386 HB3 ASP 55 2HB ASP 55 6.912 9.175 -5.891 387 H HIS 56 H HIS 56 6.049 11.293 -2.526 388 HA HIS 56 HA HIS 56 8.563 9.926 -1.859 389 HB2 HIS 56 1HB HIS 56 7.683 12.664 -0.987 390 HB3 HIS 56 2HB HIS 56 8.732 11.697 0.045 391 HD1 HIS 56 HD1 HIS 56 8.717 13.712 -3.072 392 HD2 HIS 56 HD2 HIS 56 11.336 11.256 -0.981 393 HE1 HIS 56 HE1 HIS 56 10.987 14.155 -4.060 394 HE2 HIS 56 HE2 HIS 56 12.539 12.586 -2.845 395 H ILE 57 H ILE 57 7.770 8.119 -0.923 396 HA ILE 57 HA ILE 57 6.263 8.418 1.547 397 HB ILE 57 HB ILE 57 4.733 6.496 0.835 398 HG12 ILE 57 1HG1 ILE 57 5.026 7.486 -1.963 399 HG13 ILE 57 2HG1 ILE 57 6.215 6.326 -1.378 400 HG21 ILE 57 1HG2 ILE 57 3.073 7.986 0.435 401 HG22 ILE 57 2HG2 ILE 57 4.006 8.875 -0.770 402 HG23 ILE 57 3HG2 ILE 57 4.320 9.122 0.947 403 HD11 ILE 57 3HD1 ILE 57 3.753 5.273 -0.625 404 HD12 ILE 57 1HD1 ILE 57 4.794 4.731 -1.941 405 HD13 ILE 57 2HD1 ILE 57 3.513 5.901 -2.254 406 H ASN 58 H ASN 58 7.236 7.205 3.036 407 HA ASN 58 HA ASN 58 9.110 5.159 2.238 408 HB2 ASN 58 1HB ASN 58 8.609 6.753 4.631 409 HB3 ASN 58 2HB ASN 58 8.937 5.067 5.014 410 HD21 ASN 58 2HD2 ASN 58 10.660 6.924 5.893 411 HD22 ASN 58 1HD2 ASN 58 12.141 6.858 5.005 412 H VAL 59 H VAL 59 9.073 2.973 3.007 413 HA VAL 59 HA VAL 59 6.447 1.981 3.869 414 HB VAL 59 HB VAL 59 6.591 1.711 1.424 415 HG11 VAL 59 1HG1 VAL 59 8.206 -0.004 0.540 416 HG12 VAL 59 2HG1 VAL 59 9.062 0.123 2.078 417 HG13 VAL 59 3HG1 VAL 59 8.919 1.533 1.028 418 HG21 VAL 59 3HG2 VAL 59 6.752 -0.903 2.923 419 HG22 VAL 59 1HG2 VAL 59 6.026 -0.660 1.334 420 HG23 VAL 59 2HG2 VAL 59 5.313 0.102 2.754 421 H LEU 60 H LEU 60 6.467 0.109 5.115 422 HA LEU 60 HA LEU 60 9.108 -0.643 6.161 423 HB2 LEU 60 1HB LEU 60 7.042 0.199 7.591 424 HB3 LEU 60 2HB LEU 60 6.568 -1.484 7.481 425 HG LEU 60 HG LEU 60 7.770 -1.047 9.556 426 HD11 LEU 60 1HD1 LEU 60 8.111 -3.178 7.990 427 HD12 LEU 60 2HD1 LEU 60 8.932 -2.993 9.539 428 HD13 LEU 60 3HD1 LEU 60 9.779 -2.608 8.040 429 HD21 LEU 60 3HD2 LEU 60 9.235 0.743 8.198 430 HD22 LEU 60 1HD2 LEU 60 10.356 -0.619 8.196 431 HD23 LEU 60 2HD2 LEU 60 9.752 0.024 9.723 432 H ARG 61 H ARG 61 9.939 -2.525 5.552 433 HA ARG 61 HA ARG 61 8.121 -4.749 4.917 434 HB2 ARG 61 1HB ARG 61 10.532 -3.877 3.308 435 HB3 ARG 61 2HB ARG 61 9.679 -5.394 3.066 436 HG2 ARG 61 1HG ARG 61 7.643 -4.161 2.504 437 HG3 ARG 61 2HG ARG 61 8.503 -2.639 2.743 438 HD2 ARG 61 1HD ARG 61 9.769 -2.900 0.834 439 HD3 ARG 61 2HD ARG 61 9.603 -4.655 0.840 440 HE ARG 61 HE ARG 61 7.126 -3.274 0.383 441 HH11 ARG 61 1HH1 ARG 61 10.017 -4.517 -1.152 442 HH12 ARG 61 2HH1 ARG 61 9.265 -4.697 -2.701 443 HH21 ARG 61 1HH2 ARG 61 6.141 -3.511 -1.664 444 HH22 ARG 61 2HH2 ARG 61 7.069 -4.127 -2.992 445 H ASN 62 H ASN 62 8.814 -6.776 5.539 446 HA ASN 62 HA ASN 62 10.630 -6.947 7.685 447 HB2 ASN 62 1HB ASN 62 9.280 -9.026 5.975 448 HB3 ASN 62 2HB ASN 62 10.424 -9.481 7.235 449 HD21 ASN 62 2HD2 ASN 62 9.941 -8.085 9.344 450 HD22 ASN 62 1HD2 ASN 62 8.298 -8.189 9.868 451 H GLY 63 H GLY 63 11.148 -7.058 4.281 452 HA2 GLY 63 1HA GLY 63 13.432 -6.715 3.523 453 HA3 GLY 63 2HA GLY 63 13.950 -7.847 4.764 454 H GLU 64 H GLU 64 11.093 -8.563 2.914 455 HA GLU 64 HA GLU 64 12.498 -10.789 1.649 456 HB2 GLU 64 1HB GLU 64 10.048 -11.489 1.163 457 HB3 GLU 64 2HB GLU 64 10.669 -11.660 2.794 458 HG2 GLU 64 1HG GLU 64 9.348 -9.994 3.619 459 HG3 GLU 64 2HG GLU 64 9.286 -9.133 2.083 460 H ALA 65 H ALA 65 11.773 -11.386 -0.564 461 HA ALA 65 HA ALA 65 11.734 -9.003 -2.246 462 HB1 ALA 65 3HB ALA 65 11.867 -11.680 -3.489 463 HB2 ALA 65 1HB ALA 65 13.214 -11.232 -2.444 464 HB3 ALA 65 2HB ALA 65 12.799 -10.222 -3.827 465 H ALA 66 H ALA 66 9.950 -8.282 -3.211 466 HA ALA 66 HA ALA 66 7.744 -10.163 -3.721 467 HB1 ALA 66 3HB ALA 66 7.078 -7.365 -2.968 468 HB2 ALA 66 1HB ALA 66 7.538 -8.491 -1.690 469 HB3 ALA 66 2HB ALA 66 6.160 -8.851 -2.731 470 H ALA 67 H ALA 67 6.223 -9.438 -5.379 471 HA ALA 67 HA ALA 67 7.540 -7.744 -7.403 472 HB1 ALA 67 3HB ALA 67 6.911 -9.169 -9.049 473 HB2 ALA 67 1HB ALA 67 5.404 -9.609 -8.244 474 HB3 ALA 67 2HB ALA 67 6.925 -10.330 -7.721 475 H LEU 68 H LEU 68 5.921 -6.743 -8.985 476 HA LEU 68 HA LEU 68 3.742 -5.550 -7.418 477 HB2 LEU 68 1HB LEU 68 4.001 -3.589 -8.581 478 HB3 LEU 68 2HB LEU 68 5.647 -4.181 -8.541 479 HG LEU 68 HG LEU 68 4.871 -5.223 -10.901 480 HD11 LEU 68 1HD1 LEU 68 2.606 -4.149 -10.606 481 HD12 LEU 68 2HD1 LEU 68 3.444 -3.778 -12.112 482 HD13 LEU 68 3HD1 LEU 68 3.413 -2.594 -10.805 483 HD21 LEU 68 3HD2 LEU 68 5.620 -2.372 -11.047 484 HD22 LEU 68 1HD2 LEU 68 6.371 -3.786 -11.787 485 HD23 LEU 68 2HD2 LEU 68 6.679 -3.409 -10.092 486 H GLY 69 H GLY 69 4.445 -7.207 -10.452 487 HA2 GLY 69 1HA GLY 69 1.655 -7.032 -11.290 488 HA3 GLY 69 2HA GLY 69 2.976 -7.720 -12.216 489 H GLU 70 H GLU 70 2.413 -8.626 -8.876 490 HA GLU 70 HA GLU 70 0.736 -10.842 -9.331 491 HB2 GLU 70 1HB GLU 70 3.470 -11.257 -10.043 492 HB3 GLU 70 2HB GLU 70 3.133 -12.200 -8.598 493 HG2 GLU 70 1HG GLU 70 1.498 -13.471 -9.663 494 HG3 GLU 70 2HG GLU 70 1.312 -12.307 -10.972 495 H ALA 71 H ALA 71 -0.299 -10.489 -7.441 496 HA ALA 71 HA ALA 71 1.144 -9.931 -5.002 497 HB1 ALA 71 3HB ALA 71 -1.791 -10.290 -5.574 498 HB2 ALA 71 1HB ALA 71 -0.920 -8.776 -5.325 499 HB3 ALA 71 2HB ALA 71 -1.136 -9.899 -3.984 500 H THR 72 H THR 72 0.862 -12.731 -6.585 501 HA THR 72 HA THR 72 -0.043 -14.466 -4.480 502 HB THR 72 HB THR 72 1.242 -16.116 -6.226 503 HG1 THR 72 HG1 THR 72 1.840 -14.785 -7.781 504 HG21 THR 72 3HG2 THR 72 -1.289 -15.846 -5.511 505 HG22 THR 72 1HG2 THR 72 -0.804 -16.797 -6.914 506 HG23 THR 72 2HG2 THR 72 -1.406 -15.153 -7.127 507 H ALA 73 H ALA 73 2.720 -12.710 -4.713 508 HA ALA 73 HA ALA 73 4.727 -14.627 -4.119 509 HB1 ALA 73 3HB ALA 73 4.800 -12.051 -4.875 510 HB2 ALA 73 1HB ALA 73 6.159 -12.876 -4.110 511 HB3 ALA 73 2HB ALA 73 5.087 -11.863 -3.145 512 H ALA 74 H ALA 74 6.080 -13.973 -1.946 513 HA ALA 74 HA ALA 74 4.706 -15.180 0.167 514 HB1 ALA 74 3HB ALA 74 6.613 -14.435 1.576 515 HB2 ALA 74 1HB ALA 74 7.198 -13.482 0.212 516 HB3 ALA 74 2HB ALA 74 7.104 -15.239 0.086 517 H GLY 75 H GLY 75 5.247 -11.748 -0.544 518 HA2 GLY 75 1HA GLY 75 2.909 -10.898 0.751 519 HA3 GLY 75 2HA GLY 75 4.253 -10.701 1.864 520 H ASP 76 H ASP 76 2.957 -8.474 1.238 521 HA ASP 76 HA ASP 76 4.415 -7.169 -0.944 522 HB2 ASP 76 1HB ASP 76 2.085 -6.136 0.690 523 HB3 ASP 76 2HB ASP 76 2.812 -5.326 -0.685 524 H GLU 77 H GLU 77 3.296 -6.093 2.254 525 HA GLU 77 HA GLU 77 5.927 -5.547 3.215 526 HB2 GLU 77 1HB GLU 77 5.755 -3.109 3.349 527 HB3 GLU 77 2HB GLU 77 5.685 -3.647 1.679 528 HG2 GLU 77 1HG GLU 77 3.074 -3.356 2.979 529 HG3 GLU 77 2HG GLU 77 3.992 -1.861 2.803 530 H LEU 78 H LEU 78 5.338 -3.623 5.140 531 HA LEU 78 HA LEU 78 3.366 -5.065 6.783 532 HB2 LEU 78 1HB LEU 78 5.971 -4.626 7.325 533 HB3 LEU 78 2HB LEU 78 5.273 -3.185 8.039 534 HG LEU 78 HG LEU 78 3.690 -4.819 9.271 535 HD11 LEU 78 1HD1 LEU 78 5.893 -6.684 8.405 536 HD12 LEU 78 2HD1 LEU 78 4.170 -6.833 8.064 537 HD13 LEU 78 3HD1 LEU 78 4.762 -7.020 9.715 538 HD21 LEU 78 3HD2 LEU 78 6.625 -4.551 9.889 539 HD22 LEU 78 1HD2 LEU 78 5.435 -5.186 11.025 540 HD23 LEU 78 2HD2 LEU 78 5.307 -3.523 10.450 541 H ALA 79 H ALA 79 4.646 -1.794 6.172 542 HA ALA 79 HA ALA 79 1.982 -0.682 6.290 543 HB1 ALA 79 3HB ALA 79 2.611 -0.737 8.657 544 HB2 ALA 79 1HB ALA 79 2.469 0.918 8.064 545 HB3 ALA 79 2HB ALA 79 4.061 0.197 8.292 546 H LEU 80 H LEU 80 2.114 1.790 5.993 547 HA LEU 80 HA LEU 80 4.438 2.569 4.379 548 HB2 LEU 80 1HB LEU 80 2.441 1.742 2.998 549 HB3 LEU 80 2HB LEU 80 1.620 3.196 3.529 550 HG LEU 80 HG LEU 80 3.649 4.456 2.542 551 HD11 LEU 80 1HD1 LEU 80 5.115 3.398 1.187 552 HD12 LEU 80 2HD1 LEU 80 3.934 2.202 0.653 553 HD13 LEU 80 3HD1 LEU 80 4.722 2.024 2.221 554 HD21 LEU 80 3HD2 LEU 80 2.231 3.264 0.278 555 HD22 LEU 80 1HD2 LEU 80 2.301 4.941 0.822 556 HD23 LEU 80 2HD2 LEU 80 1.173 3.815 1.577 557 H PHE 81 H PHE 81 5.264 4.248 5.438 558 HA PHE 81 HA PHE 81 3.439 6.373 6.328 559 HB2 PHE 81 1HB PHE 81 4.956 6.770 8.265 560 HB3 PHE 81 2HB PHE 81 4.141 5.213 8.321 561 HD1 PHE 81 HD1 PHE 81 5.429 3.143 7.700 562 HD2 PHE 81 HD2 PHE 81 7.301 6.926 8.267 563 HE1 PHE 81 HE1 PHE 81 7.603 2.025 7.973 564 HE2 PHE 81 HE2 PHE 81 9.475 5.811 8.539 565 HZ PHE 81 HZ PHE 81 9.631 3.359 8.393 566 HA PRO 82 HA PRO 82 6.219 8.746 3.760 567 HB2 PRO 82 1HB PRO 82 4.940 11.108 3.936 568 HB3 PRO 82 2HB PRO 82 4.302 9.764 2.982 569 HG2 PRO 82 1HG PRO 82 3.510 10.697 5.710 570 HG3 PRO 82 2HG PRO 82 2.487 10.140 4.373 571 HD2 PRO 82 1HD PRO 82 3.207 8.582 6.517 572 HD3 PRO 82 2HD PRO 82 2.764 7.939 4.924 573 HA PRO 83 HA PRO 83 8.808 10.496 6.965 574 HB2 PRO 83 1HB PRO 83 10.831 11.332 5.389 575 HB3 PRO 83 2HB PRO 83 10.563 9.622 5.749 576 HG2 PRO 83 1HG PRO 83 9.809 11.185 3.310 577 HG3 PRO 83 2HG PRO 83 10.509 9.560 3.424 578 HD2 PRO 83 1HD PRO 83 7.856 10.021 3.008 579 HD3 PRO 83 2HD PRO 83 8.475 8.580 3.837 580 H VAL 84 H VAL 84 8.811 12.448 7.926 581 HA VAL 84 HA VAL 84 7.828 14.741 6.416 582 HB VAL 84 HB VAL 84 6.770 14.248 8.576 583 HG11 VAL 84 1HG1 VAL 84 7.857 13.916 10.509 584 HG12 VAL 84 2HG1 VAL 84 8.991 15.234 10.214 585 HG13 VAL 84 3HG1 VAL 84 9.269 13.652 9.486 586 HG21 VAL 84 3HG2 VAL 84 6.522 16.445 9.213 587 HG22 VAL 84 1HG2 VAL 84 7.204 16.631 7.597 588 HG23 VAL 84 2HG2 VAL 84 8.237 16.811 9.014 589 H SER 85 H SER 85 9.251 15.984 5.423 590 HA SER 85 HA SER 85 11.991 16.171 6.398 591 HB2 SER 85 1HB SER 85 10.606 16.732 3.826 592 HB3 SER 85 2HB SER 85 12.054 17.672 4.186 593 HG SER 85 HG SER 85 11.890 14.836 4.223 594 H GLY 86 H GLY 86 9.366 18.411 5.466 595 HA2 GLY 86 1HA GLY 86 10.768 20.674 6.583 596 HA3 GLY 86 2HA GLY 86 9.155 20.685 5.884 597 H GLY 87 H GLY 87 7.923 21.630 7.411 598 HA2 GLY 87 1HA GLY 87 8.275 20.868 10.214 599 HA3 GLY 87 2HA GLY 87 7.294 22.199 9.615 Start of MODEL 5 1 H1 MET 1 1H MET 1 1.959 -9.218 4.977 2 H2 MET 1 2H MET 1 2.017 -8.533 3.405 3 H3 MET 1 3H MET 1 2.260 -10.217 3.616 4 HA MET 1 HA MET 1 0.049 -9.519 2.762 5 HB2 MET 1 1HB MET 1 -1.104 -11.131 4.346 6 HB3 MET 1 2HB MET 1 0.353 -11.732 3.570 7 HG2 MET 1 1HG MET 1 1.555 -11.742 5.517 8 HG3 MET 1 2HG MET 1 0.580 -10.472 6.256 9 HE1 MET 1 3HE MET 1 -2.389 -11.952 7.674 10 HE2 MET 1 1HE MET 1 -1.362 -10.572 7.285 11 HE3 MET 1 2HE MET 1 -0.938 -11.637 8.626 12 H GLU 2 H GLU 2 0.838 -7.145 4.216 13 HA GLU 2 HA GLU 2 -1.751 -6.465 5.353 14 HB2 GLU 2 1HB GLU 2 0.736 -5.753 6.896 15 HB3 GLU 2 2HB GLU 2 -0.940 -5.648 7.416 16 HG2 GLU 2 1HG GLU 2 -1.101 -8.066 7.479 17 HG3 GLU 2 2HG GLU 2 0.558 -8.208 6.893 18 H TRP 3 H TRP 3 -1.885 -4.076 5.813 19 HA TRP 3 HA TRP 3 -0.064 -2.421 4.247 20 HB2 TRP 3 1HB TRP 3 -3.036 -2.650 3.720 21 HB3 TRP 3 2HB TRP 3 -2.053 -1.312 3.138 22 HD1 TRP 3 HD TRP 3 -2.205 -5.175 2.776 23 HE1 TRP 3 HE1 TRP 3 -1.380 -5.782 0.415 24 HE3 TRP 3 HE3 TRP 3 -0.913 -0.505 1.137 25 HZ2 TRP 3 HZ2 TRP 3 -0.324 -4.459 -1.844 26 HZ3 TRP 3 HZ3 TRP 3 -0.007 -0.264 -1.136 27 HH2 TRP 3 HH TRP 3 0.281 -2.201 -2.593 28 H LYS 4 H LYS 4 0.131 -0.366 5.081 29 HA LYS 4 HA LYS 4 -1.817 0.511 7.094 30 HB2 LYS 4 1HB LYS 4 1.169 0.342 7.498 31 HB3 LYS 4 2HB LYS 4 0.112 1.308 8.517 32 HG2 LYS 4 1HG LYS 4 -0.872 -0.543 9.480 33 HG3 LYS 4 2HG LYS 4 -0.461 -1.596 8.126 34 HD2 LYS 4 1HD LYS 4 1.859 -1.605 8.771 35 HD3 LYS 4 2HD LYS 4 1.555 -0.409 10.031 36 HE2 LYS 4 1HE LYS 4 -0.021 -2.919 10.127 37 HE3 LYS 4 2HE LYS 4 1.693 -3.027 10.526 38 HZ1 LYS 4 3HZ LYS 4 1.431 -1.797 12.402 39 HZ2 LYS 4 1HZ LYS 4 -0.115 -2.481 12.338 40 HZ3 LYS 4 2HZ LYS 4 0.133 -0.900 11.795 41 H LEU 5 H LEU 5 -2.249 2.680 7.026 42 HA LEU 5 HA LEU 5 -0.476 4.358 5.375 43 HB2 LEU 5 1HB LEU 5 -2.833 3.485 4.435 44 HB3 LEU 5 2HB LEU 5 -3.387 4.914 5.282 45 HG LEU 5 HG LEU 5 -1.636 6.205 3.949 46 HD11 LEU 5 1HD1 LEU 5 -0.753 3.737 3.223 47 HD12 LEU 5 2HD1 LEU 5 -0.420 5.227 2.340 48 HD13 LEU 5 3HD1 LEU 5 -1.746 4.180 1.834 49 HD21 LEU 5 3HD2 LEU 5 -4.022 4.901 2.662 50 HD22 LEU 5 1HD2 LEU 5 -3.094 6.185 1.889 51 HD23 LEU 5 2HD2 LEU 5 -3.923 6.491 3.415 52 H PHE 6 H PHE 6 -0.520 6.621 5.844 53 HA PHE 6 HA PHE 6 -1.116 7.157 8.648 54 HB2 PHE 6 1HB PHE 6 0.852 8.074 6.758 55 HB3 PHE 6 2HB PHE 6 -0.001 9.456 7.434 56 HD1 PHE 6 HD1 PHE 6 0.002 9.821 9.893 57 HD2 PHE 6 HD2 PHE 6 2.392 6.822 8.049 58 HE1 PHE 6 HE1 PHE 6 1.384 9.678 11.924 59 HE2 PHE 6 HE2 PHE 6 3.777 6.674 10.075 60 HZ PHE 6 HZ PHE 6 3.274 8.103 12.015 61 H ALA 7 H ALA 7 -1.866 9.523 9.083 62 HA ALA 7 HA ALA 7 -4.498 9.778 8.090 63 HB1 ALA 7 3HB ALA 7 -2.761 11.386 9.881 64 HB2 ALA 7 1HB ALA 7 -4.347 10.674 10.179 65 HB3 ALA 7 2HB ALA 7 -4.209 12.145 9.217 66 H ASP 8 H ASP 8 -1.525 10.807 6.756 67 HA ASP 8 HA ASP 8 -2.232 13.190 5.474 68 HB2 ASP 8 1HB ASP 8 0.044 11.727 5.598 69 HB3 ASP 8 2HB ASP 8 -0.488 11.322 3.969 70 H LEU 9 H LEU 9 -2.821 9.835 4.635 71 HA LEU 9 HA LEU 9 -4.327 10.692 2.248 72 HB2 LEU 9 1HB LEU 9 -2.813 8.201 2.909 73 HB3 LEU 9 2HB LEU 9 -4.091 8.167 1.710 74 HG LEU 9 HG LEU 9 -2.339 10.366 1.144 75 HD11 LEU 9 1HD1 LEU 9 -0.863 8.581 2.466 76 HD12 LEU 9 2HD1 LEU 9 -0.246 9.507 1.098 77 HD13 LEU 9 3HD1 LEU 9 -0.806 7.852 0.862 78 HD21 LEU 9 3HD2 LEU 9 -1.998 8.885 -0.944 79 HD22 LEU 9 1HD2 LEU 9 -3.605 9.529 -0.609 80 HD23 LEU 9 2HD2 LEU 9 -3.229 7.852 -0.216 81 H ALA 10 H ALA 10 -4.450 8.566 5.110 82 HA ALA 10 HA ALA 10 -7.023 7.503 4.587 83 HB1 ALA 10 3HB ALA 10 -6.184 6.209 6.196 84 HB2 ALA 10 1HB ALA 10 -6.825 7.413 7.310 85 HB3 ALA 10 2HB ALA 10 -5.134 7.484 6.813 86 H GLU 11 H GLU 11 -6.112 10.655 5.536 87 HA GLU 11 HA GLU 11 -8.442 11.282 7.080 88 HB2 GLU 11 1HB GLU 11 -6.370 12.546 7.358 89 HB3 GLU 11 2HB GLU 11 -6.455 13.086 5.688 90 HG2 GLU 11 1HG GLU 11 -8.340 14.444 6.125 91 HG3 GLU 11 2HG GLU 11 -8.585 13.711 7.712 92 H VAL 12 H VAL 12 -7.661 11.258 3.669 93 HA VAL 12 HA VAL 12 -10.013 12.837 2.993 94 HB VAL 12 HB VAL 12 -8.187 11.476 1.030 95 HG11 VAL 12 1HG1 VAL 12 -9.476 14.086 0.508 96 HG12 VAL 12 2HG1 VAL 12 -10.527 12.672 0.557 97 HG13 VAL 12 3HG1 VAL 12 -9.178 12.728 -0.578 98 HG21 VAL 12 3HG2 VAL 12 -6.842 13.477 0.938 99 HG22 VAL 12 1HG2 VAL 12 -6.860 12.873 2.593 100 HG23 VAL 12 2HG2 VAL 12 -7.855 14.258 2.150 101 H ALA 13 H ALA 13 -8.852 9.499 2.610 102 HA ALA 13 HA ALA 13 -11.397 8.719 1.415 103 HB1 ALA 13 3HB ALA 13 -8.717 7.483 1.640 104 HB2 ALA 13 1HB ALA 13 -9.822 7.562 0.268 105 HB3 ALA 13 2HB ALA 13 -10.103 6.396 1.561 106 H GLY 14 H GLY 14 -9.485 8.036 4.332 107 HA2 GLY 14 1HA GLY 14 -10.698 7.799 6.440 108 HA3 GLY 14 2HA GLY 14 -11.943 6.936 5.552 109 H SER 15 H SER 15 -9.842 5.452 4.003 110 HA SER 15 HA SER 15 -9.281 3.441 6.068 111 HB2 SER 15 1HB SER 15 -10.552 3.083 3.721 112 HB3 SER 15 2HB SER 15 -8.894 2.785 3.197 113 HG SER 15 HG SER 15 -10.452 1.380 5.070 114 H ARG 16 H ARG 16 -7.264 3.047 6.704 115 HA ARG 16 HA ARG 16 -5.052 4.018 5.036 116 HB2 ARG 16 1HB ARG 16 -3.945 3.876 7.514 117 HB3 ARG 16 2HB ARG 16 -4.605 5.340 6.809 118 HG2 ARG 16 1HG ARG 16 -6.589 5.172 8.049 119 HG3 ARG 16 2HG ARG 16 -6.276 3.487 8.475 120 HD2 ARG 16 1HD ARG 16 -4.449 4.128 9.898 121 HD3 ARG 16 2HD ARG 16 -4.565 5.803 9.368 122 HE ARG 16 HE ARG 16 -6.197 4.483 11.335 123 HH11 ARG 16 1HH1 ARG 16 -5.988 7.174 9.110 124 HH12 ARG 16 2HH1 ARG 16 -7.179 8.117 9.938 125 HH21 ARG 16 1HH2 ARG 16 -7.771 5.723 12.424 126 HH22 ARG 16 2HH2 ARG 16 -8.192 7.292 11.824 127 H THR 17 H THR 17 -5.717 1.716 7.690 128 HA THR 17 HA THR 17 -3.671 -0.062 6.622 129 HB THR 17 HB THR 17 -3.721 -1.208 8.687 130 HG1 THR 17 HG1 THR 17 -6.253 -0.013 9.034 131 HG21 THR 17 3HG2 THR 17 -4.328 1.151 10.163 132 HG22 THR 17 1HG2 THR 17 -3.419 1.580 8.715 133 HG23 THR 17 2HG2 THR 17 -2.765 0.399 9.848 134 H VAL 18 H VAL 18 -4.051 -2.002 5.697 135 HA VAL 18 HA VAL 18 -6.767 -3.097 5.701 136 HB VAL 18 HB VAL 18 -5.254 -2.892 3.105 137 HG11 VAL 18 1HG1 VAL 18 -6.989 -4.578 3.210 138 HG12 VAL 18 2HG1 VAL 18 -7.487 -3.269 2.141 139 HG13 VAL 18 3HG1 VAL 18 -8.157 -3.380 3.769 140 HG21 VAL 18 3HG2 VAL 18 -6.786 -1.005 2.524 141 HG22 VAL 18 1HG2 VAL 18 -5.578 -0.611 3.746 142 HG23 VAL 18 2HG2 VAL 18 -7.246 -0.924 4.225 143 H ARG 19 H ARG 19 -6.694 -5.219 6.118 144 HA ARG 19 HA ARG 19 -4.218 -6.675 5.462 145 HB2 ARG 19 1HB ARG 19 -4.859 -8.213 7.352 146 HB3 ARG 19 2HB ARG 19 -4.356 -6.598 7.826 147 HG2 ARG 19 1HG ARG 19 -7.258 -7.040 7.433 148 HG3 ARG 19 2HG ARG 19 -6.505 -7.797 8.837 149 HD2 ARG 19 1HD ARG 19 -5.667 -5.649 9.585 150 HD3 ARG 19 2HD ARG 19 -6.310 -4.867 8.142 151 HE ARG 19 HE ARG 19 -8.388 -4.858 9.106 152 HH11 ARG 19 1HH1 ARG 19 -6.322 -7.028 10.922 153 HH12 ARG 19 2HH1 ARG 19 -7.463 -7.239 12.207 154 HH21 ARG 19 1HH2 ARG 19 -9.890 -5.141 10.802 155 HH22 ARG 19 2HH2 ARG 19 -9.490 -6.168 12.139 156 H VAL 20 H VAL 20 -4.357 -8.457 4.255 157 HA VAL 20 HA VAL 20 -6.897 -9.844 3.921 158 HB VAL 20 HB VAL 20 -5.418 -8.841 1.487 159 HG11 VAL 20 1HG1 VAL 20 -7.887 -9.425 0.631 160 HG12 VAL 20 2HG1 VAL 20 -7.764 -10.573 1.963 161 HG13 VAL 20 3HG1 VAL 20 -6.575 -10.600 0.662 162 HG21 VAL 20 3HG2 VAL 20 -7.357 -7.307 1.175 163 HG22 VAL 20 1HG2 VAL 20 -6.340 -6.904 2.559 164 HG23 VAL 20 2HG2 VAL 20 -7.885 -7.718 2.807 165 H ASP 21 H ASP 21 -6.498 -11.952 4.044 166 HA ASP 21 HA ASP 21 -3.816 -12.944 3.416 167 HB2 ASP 21 1HB ASP 21 -4.781 -15.049 4.581 168 HB3 ASP 21 2HB ASP 21 -4.370 -13.657 5.569 169 H VAL 22 H VAL 22 -5.700 -12.287 1.302 170 HA VAL 22 HA VAL 22 -5.703 -14.862 -0.058 171 HB VAL 22 HB VAL 22 -7.948 -14.715 0.931 172 HG11 VAL 22 1HG1 VAL 22 -9.514 -12.963 0.037 173 HG12 VAL 22 2HG1 VAL 22 -8.095 -12.119 -0.584 174 HG13 VAL 22 3HG1 VAL 22 -8.279 -12.376 1.150 175 HG21 VAL 22 3HG2 VAL 22 -9.233 -15.107 -1.094 176 HG22 VAL 22 1HG2 VAL 22 -7.633 -15.831 -1.239 177 HG23 VAL 22 2HG2 VAL 22 -7.993 -14.314 -2.062 178 H ASP 23 H ASP 23 -5.717 -14.704 -2.343 179 HA ASP 23 HA ASP 23 -5.193 -11.990 -3.359 180 HB2 ASP 23 1HB ASP 23 -3.791 -13.105 -5.114 181 HB3 ASP 23 2HB ASP 23 -3.157 -13.240 -3.479 182 H GLY 24 H GLY 24 -6.535 -11.228 -4.844 183 HA2 GLY 24 1HA GLY 24 -7.841 -13.032 -6.727 184 HA3 GLY 24 2HA GLY 24 -8.896 -12.133 -5.650 185 H ASP 25 H ASP 25 -6.627 -11.911 -8.301 186 HA ASP 25 HA ASP 25 -6.243 -10.345 -9.897 187 HB2 ASP 25 1HB ASP 25 -9.099 -10.007 -9.203 188 HB3 ASP 25 2HB ASP 25 -8.365 -8.667 -10.076 189 H ALA 26 H ALA 26 -5.521 -9.763 -7.060 190 HA ALA 26 HA ALA 26 -5.335 -6.830 -7.283 191 HB1 ALA 26 3HB ALA 26 -5.827 -6.537 -5.093 192 HB2 ALA 26 1HB ALA 26 -5.060 -8.047 -4.602 193 HB3 ALA 26 2HB ALA 26 -6.674 -8.067 -5.312 194 H THR 27 H THR 27 -3.327 -6.224 -7.763 195 HA THR 27 HA THR 27 -1.081 -7.973 -7.124 196 HB THR 27 HB THR 27 -0.196 -5.583 -8.387 197 HG1 THR 27 HG1 THR 27 -2.358 -6.750 -9.796 198 HG21 THR 27 3HG2 THR 27 0.607 -7.988 -8.644 199 HG22 THR 27 1HG2 THR 27 0.585 -6.964 -10.079 200 HG23 THR 27 2HG2 THR 27 -0.692 -8.156 -9.825 201 H VAL 28 H VAL 28 0.988 -6.817 -6.390 202 HA VAL 28 HA VAL 28 0.382 -5.472 -3.919 203 HB VAL 28 HB VAL 28 3.113 -5.992 -5.101 204 HG11 VAL 28 1HG1 VAL 28 3.555 -6.095 -2.513 205 HG12 VAL 28 2HG1 VAL 28 2.101 -5.099 -2.446 206 HG13 VAL 28 3HG1 VAL 28 3.502 -4.551 -3.362 207 HG21 VAL 28 3HG2 VAL 28 1.315 -7.764 -3.466 208 HG22 VAL 28 1HG2 VAL 28 3.065 -7.978 -3.503 209 HG23 VAL 28 2HG2 VAL 28 2.127 -8.124 -4.989 210 H GLY 29 H GLY 29 1.659 -4.613 -7.077 211 HA2 GLY 29 1HA GLY 29 2.345 -1.933 -6.221 212 HA3 GLY 29 2HA GLY 29 2.508 -2.583 -7.842 213 H ASP 30 H ASP 30 -0.313 -3.568 -7.780 214 HA ASP 30 HA ASP 30 -1.559 -1.435 -9.076 215 HB2 ASP 30 1HB ASP 30 -2.286 -3.718 -9.425 216 HB3 ASP 30 2HB ASP 30 -2.760 -3.868 -7.736 217 H ALA 31 H ALA 31 -1.813 -2.522 -5.708 218 HA ALA 31 HA ALA 31 -3.682 -0.423 -5.028 219 HB1 ALA 31 3HB ALA 31 -3.845 -1.412 -2.923 220 HB2 ALA 31 1HB ALA 31 -2.249 -2.150 -3.040 221 HB3 ALA 31 2HB ALA 31 -3.583 -2.782 -4.003 222 H LEU 32 H LEU 32 -0.241 -1.129 -4.586 223 HA LEU 32 HA LEU 32 0.440 0.868 -2.783 224 HB2 LEU 32 1HB LEU 32 1.949 -0.927 -3.722 225 HB3 LEU 32 2HB LEU 32 2.121 0.066 -5.157 226 HG LEU 32 HG LEU 32 2.714 1.509 -2.682 227 HD11 LEU 32 1HD1 LEU 32 5.061 0.251 -2.788 228 HD12 LEU 32 2HD1 LEU 32 4.008 -1.087 -3.247 229 HD13 LEU 32 3HD1 LEU 32 3.754 -0.252 -1.715 230 HD21 LEU 32 3HD2 LEU 32 3.401 2.660 -4.528 231 HD22 LEU 32 1HD2 LEU 32 3.811 1.199 -5.427 232 HD23 LEU 32 2HD2 LEU 32 4.888 1.788 -4.160 233 H ASP 33 H ASP 33 0.489 1.053 -6.351 234 HA ASP 33 HA ASP 33 1.096 3.784 -6.538 235 HB2 ASP 33 1HB ASP 33 1.273 2.300 -8.466 236 HB3 ASP 33 2HB ASP 33 -0.466 2.044 -8.461 237 H ALA 34 H ALA 34 -1.996 2.082 -6.316 238 HA ALA 34 HA ALA 34 -3.693 4.272 -6.735 239 HB1 ALA 34 3HB ALA 34 -4.934 2.374 -6.771 240 HB2 ALA 34 1HB ALA 34 -5.182 2.784 -5.074 241 HB3 ALA 34 2HB ALA 34 -3.967 1.588 -5.525 242 H LEU 35 H LEU 35 -2.628 2.841 -3.642 243 HA LEU 35 HA LEU 35 -3.739 4.853 -2.013 244 HB2 LEU 35 1HB LEU 35 -1.315 3.196 -1.339 245 HB3 LEU 35 2HB LEU 35 -2.437 3.944 -0.219 246 HG LEU 35 HG LEU 35 -2.847 1.504 -1.923 247 HD11 LEU 35 1HD1 LEU 35 -1.846 1.146 0.235 248 HD12 LEU 35 2HD1 LEU 35 -3.499 0.534 0.242 249 HD13 LEU 35 3HD1 LEU 35 -3.124 2.073 1.018 250 HD21 LEU 35 3HD2 LEU 35 -4.874 3.432 -0.982 251 HD22 LEU 35 1HD2 LEU 35 -5.212 1.729 -0.662 252 HD23 LEU 35 2HD2 LEU 35 -4.932 2.276 -2.315 253 H VAL 36 H VAL 36 -0.894 4.831 -3.974 254 HA VAL 36 HA VAL 36 0.353 7.014 -2.507 255 HB VAL 36 HB VAL 36 1.188 5.568 -5.023 256 HG11 VAL 36 1HG1 VAL 36 2.185 8.076 -3.809 257 HG12 VAL 36 2HG1 VAL 36 2.216 7.538 -5.487 258 HG13 VAL 36 3HG1 VAL 36 3.400 6.914 -4.340 259 HG21 VAL 36 3HG2 VAL 36 2.866 5.629 -2.591 260 HG22 VAL 36 1HG2 VAL 36 2.564 4.317 -3.731 261 HG23 VAL 36 2HG2 VAL 36 1.371 4.700 -2.490 262 H GLY 37 H GLY 37 -1.066 6.517 -5.757 263 HA2 GLY 37 1HA GLY 37 -1.844 9.333 -5.784 264 HA3 GLY 37 2HA GLY 37 -0.710 8.840 -7.023 265 H ALA 38 H ALA 38 -2.007 6.176 -7.350 266 HA ALA 38 HA ALA 38 -3.865 6.913 -9.366 267 HB1 ALA 38 3HB ALA 38 -2.405 4.616 -8.694 268 HB2 ALA 38 1HB ALA 38 -3.408 4.881 -10.120 269 HB3 ALA 38 2HB ALA 38 -4.101 4.139 -8.680 270 H HIS 39 H HIS 39 -4.385 6.892 -6.100 271 HA HIS 39 HA HIS 39 -7.258 6.462 -6.482 272 HB2 HIS 39 1HB HIS 39 -5.843 4.601 -5.204 273 HB3 HIS 39 2HB HIS 39 -6.042 5.717 -3.858 274 HD1 HIS 39 HD1 HIS 39 -8.556 6.200 -3.124 275 HD2 HIS 39 HD2 HIS 39 -8.033 3.058 -5.792 276 HE1 HIS 39 HE1 HIS 39 -10.686 4.867 -3.019 277 HE2 HIS 39 HE2 HIS 39 -10.385 3.031 -4.717 278 HA PRO 40 HA PRO 40 -6.152 10.752 -4.905 279 HB2 PRO 40 1HB PRO 40 -8.733 11.094 -6.369 280 HB3 PRO 40 2HB PRO 40 -7.318 12.156 -6.325 281 HG2 PRO 40 1HG PRO 40 -7.742 10.636 -8.440 282 HG3 PRO 40 2HG PRO 40 -6.102 10.788 -7.780 283 HD2 PRO 40 1HD PRO 40 -8.050 8.531 -7.515 284 HD3 PRO 40 2HD PRO 40 -6.289 8.482 -7.740 285 H ALA 41 H ALA 41 -8.814 8.561 -4.453 286 HA ALA 41 HA ALA 41 -10.569 10.030 -2.902 287 HB1 ALA 41 3HB ALA 41 -10.463 7.444 -3.647 288 HB2 ALA 41 1HB ALA 41 -11.558 8.062 -2.409 289 HB3 ALA 41 2HB ALA 41 -10.041 7.292 -1.942 290 H LEU 42 H LEU 42 -7.385 8.814 -2.043 291 HA LEU 42 HA LEU 42 -7.796 9.584 0.748 292 HB2 LEU 42 1HB LEU 42 -5.281 8.343 -0.305 293 HB3 LEU 42 2HB LEU 42 -5.943 8.290 1.315 294 HG LEU 42 HG LEU 42 -7.856 6.975 -0.216 295 HD11 LEU 42 1HD1 LEU 42 -6.070 5.174 -1.117 296 HD12 LEU 42 2HD1 LEU 42 -5.179 6.666 -1.411 297 HD13 LEU 42 3HD1 LEU 42 -6.776 6.440 -2.120 298 HD21 LEU 42 3HD2 LEU 42 -5.740 5.349 1.059 299 HD22 LEU 42 1HD2 LEU 42 -7.492 5.295 1.259 300 HD23 LEU 42 2HD2 LEU 42 -6.549 6.538 2.080 301 H GLU 43 H GLU 43 -6.480 10.851 -2.139 302 HA GLU 43 HA GLU 43 -5.171 12.975 -0.601 303 HB2 GLU 43 1HB GLU 43 -3.550 11.157 -1.528 304 HB3 GLU 43 2HB GLU 43 -3.832 11.936 -3.076 305 HG2 GLU 43 1HG GLU 43 -1.872 12.896 -2.230 306 HG3 GLU 43 2HG GLU 43 -3.136 14.097 -1.964 307 H SER 44 H SER 44 -6.158 14.796 -1.134 308 HA SER 44 HA SER 44 -7.442 15.101 -3.728 309 HB2 SER 44 1HB SER 44 -7.418 17.276 -1.675 310 HB3 SER 44 2HB SER 44 -8.701 16.799 -2.786 311 HG SER 44 HG SER 44 -8.882 16.234 -0.431 312 H ARG 45 H ARG 45 -4.395 15.799 -2.462 313 HA ARG 45 HA ARG 45 -2.635 17.044 -3.170 314 HB2 ARG 45 1HB ARG 45 -4.329 17.128 -5.667 315 HB3 ARG 45 2HB ARG 45 -2.729 17.850 -5.583 316 HG2 ARG 45 1HG ARG 45 -1.666 15.843 -5.566 317 HG3 ARG 45 2HG ARG 45 -2.994 15.022 -4.741 318 HD2 ARG 45 1HD ARG 45 -2.857 14.195 -6.991 319 HD3 ARG 45 2HD ARG 45 -4.317 15.165 -6.831 320 HE ARG 45 HE ARG 45 -3.447 16.690 -8.313 321 HH11 ARG 45 1HH1 ARG 45 -0.928 14.443 -7.376 322 HH12 ARG 45 2HH1 ARG 45 0.176 14.980 -8.595 323 HH21 ARG 45 1HH2 ARG 45 -1.981 17.394 -9.921 324 HH22 ARG 45 2HH2 ARG 45 -0.420 16.655 -10.038 325 H VAL 46 H VAL 46 -3.914 18.445 -1.439 326 HA VAL 46 HA VAL 46 -4.723 21.015 -2.567 327 HB VAL 46 HB VAL 46 -5.204 21.510 -0.082 328 HG11 VAL 46 1HG1 VAL 46 -7.383 20.290 -0.221 329 HG12 VAL 46 2HG1 VAL 46 -6.772 19.501 -1.676 330 HG13 VAL 46 3HG1 VAL 46 -6.981 21.251 -1.646 331 HG21 VAL 46 3HG2 VAL 46 -5.364 19.779 1.448 332 HG22 VAL 46 1HG2 VAL 46 -3.881 19.386 0.577 333 HG23 VAL 46 2HG2 VAL 46 -5.380 18.540 0.192 334 H PHE 47 H PHE 47 -1.939 20.271 -2.712 335 HA PHE 47 HA PHE 47 -0.770 22.649 -1.673 336 HB2 PHE 47 1HB PHE 47 -0.856 20.998 0.332 337 HB3 PHE 47 2HB PHE 47 0.437 20.149 -0.508 338 HD1 PHE 47 HD2 PHE 47 2.553 21.442 -1.061 339 HD2 PHE 47 HD1 PHE 47 -0.404 22.869 1.647 340 HE1 PHE 47 HE2 PHE 47 4.200 22.984 -0.081 341 HE2 PHE 47 HE1 PHE 47 1.238 24.413 2.630 342 HZ PHE 47 HZ PHE 47 3.544 24.473 1.767 343 H GLY 48 H GLY 48 0.151 19.312 -2.581 344 HA2 GLY 48 1HA GLY 48 2.412 20.269 -4.110 345 HA3 GLY 48 2HA GLY 48 1.904 18.597 -3.928 346 H ASP 49 H ASP 49 0.572 21.600 -5.349 347 HA ASP 49 HA ASP 49 -0.719 20.110 -7.455 348 HB2 ASP 49 1HB ASP 49 -0.582 22.987 -6.646 349 HB3 ASP 49 2HB ASP 49 -1.098 22.591 -8.284 350 H ASP 50 H ASP 50 1.926 22.488 -7.267 351 HA ASP 50 HA ASP 50 2.701 21.815 -10.010 352 HB2 ASP 50 1HB ASP 50 2.543 24.244 -8.756 353 HB3 ASP 50 2HB ASP 50 4.258 23.878 -8.599 354 H GLY 51 H GLY 51 3.135 19.944 -7.814 355 HA2 GLY 51 1HA GLY 51 5.914 20.050 -7.091 356 HA3 GLY 51 2HA GLY 51 4.802 18.726 -6.778 357 H GLU 52 H GLU 52 4.789 16.973 -8.104 358 HA GLU 52 HA GLU 52 5.588 15.457 -9.593 359 HB2 GLU 52 1HB GLU 52 6.053 17.772 -11.469 360 HB3 GLU 52 2HB GLU 52 5.660 16.108 -11.879 361 HG2 GLU 52 1HG GLU 52 3.470 16.611 -10.539 362 HG3 GLU 52 2HG GLU 52 3.887 18.287 -10.889 363 H LEU 53 H LEU 53 7.571 15.488 -11.513 364 HA LEU 53 HA LEU 53 9.808 15.311 -11.827 365 HB2 LEU 53 1HB LEU 53 9.592 17.741 -10.153 366 HB3 LEU 53 2HB LEU 53 11.171 16.983 -10.214 367 HG LEU 53 HG LEU 53 10.583 17.061 -12.857 368 HD11 LEU 53 1HD1 LEU 53 9.633 19.267 -13.356 369 HD12 LEU 53 2HD1 LEU 53 9.297 19.503 -11.641 370 HD13 LEU 53 3HD1 LEU 53 8.477 18.220 -12.533 371 HD21 LEU 53 3HD2 LEU 53 11.957 19.030 -11.061 372 HD22 LEU 53 1HD2 LEU 53 11.906 19.266 -12.809 373 HD23 LEU 53 2HD2 LEU 53 12.664 17.822 -12.135 374 H TYR 54 H TYR 54 9.865 16.172 -8.364 375 HA TYR 54 HA TYR 54 11.090 13.546 -7.835 376 HB2 TYR 54 1HB TYR 54 11.485 16.245 -6.560 377 HB3 TYR 54 2HB TYR 54 11.951 14.765 -5.730 378 HD1 TYR 54 HD1 TYR 54 12.604 16.864 -8.701 379 HD2 TYR 54 HD2 TYR 54 13.930 13.590 -6.330 380 HE1 TYR 54 HE1 TYR 54 14.757 16.885 -9.888 381 HE2 TYR 54 HE2 TYR 54 16.086 13.602 -7.510 382 HH TYR 54 HH TYR 54 16.767 14.567 -10.100 383 H ASP 55 H ASP 55 9.990 12.151 -6.604 384 HA ASP 55 HA ASP 55 7.874 13.199 -4.838 385 HB2 ASP 55 1HB ASP 55 7.797 11.034 -6.870 386 HB3 ASP 55 2HB ASP 55 6.936 10.734 -5.365 387 H HIS 56 H HIS 56 7.355 11.840 -2.974 388 HA HIS 56 HA HIS 56 9.483 9.977 -2.189 389 HB2 HIS 56 1HB HIS 56 8.472 12.258 -0.479 390 HB3 HIS 56 2HB HIS 56 9.567 10.995 0.065 391 HD1 HIS 56 HD1 HIS 56 11.662 10.888 -2.048 392 HD2 HIS 56 HD2 HIS 56 9.979 14.470 -0.781 393 HE1 HIS 56 HE1 HIS 56 13.344 12.663 -2.628 394 HE2 HIS 56 HE2 HIS 56 12.243 14.834 -1.975 395 H ILE 57 H ILE 57 8.521 8.103 -1.800 396 HA ILE 57 HA ILE 57 6.214 8.015 -0.016 397 HB ILE 57 HB ILE 57 5.150 6.252 -1.513 398 HG12 ILE 57 1HG1 ILE 57 6.327 7.568 -3.885 399 HG13 ILE 57 2HG1 ILE 57 7.406 6.484 -3.014 400 HG21 ILE 57 1HG2 ILE 57 4.657 8.869 -1.242 401 HG22 ILE 57 2HG2 ILE 57 3.705 7.807 -2.279 402 HG23 ILE 57 3HG2 ILE 57 4.977 8.810 -2.975 403 HD11 ILE 57 3HD1 ILE 57 4.785 5.324 -3.431 404 HD12 ILE 57 1HD1 ILE 57 6.383 4.682 -3.807 405 HD13 ILE 57 2HD1 ILE 57 5.580 5.771 -4.939 406 H ASN 58 H ASN 58 7.147 6.902 1.603 407 HA ASN 58 HA ASN 58 8.945 4.694 1.063 408 HB2 ASN 58 1HB ASN 58 8.117 6.224 3.484 409 HB3 ASN 58 2HB ASN 58 8.725 4.587 3.716 410 HD21 ASN 58 2HD2 ASN 58 10.556 5.330 4.791 411 HD22 ASN 58 1HD2 ASN 58 11.858 6.105 3.961 412 H VAL 59 H VAL 59 8.601 2.547 1.566 413 HA VAL 59 HA VAL 59 5.938 1.750 2.480 414 HB VAL 59 HB VAL 59 5.864 1.767 0.015 415 HG11 VAL 59 1HG1 VAL 59 8.154 -0.171 0.251 416 HG12 VAL 59 2HG1 VAL 59 8.120 1.375 -0.597 417 HG13 VAL 59 3HG1 VAL 59 7.179 0.014 -1.207 418 HG21 VAL 59 3HG2 VAL 59 4.351 0.194 0.452 419 HG22 VAL 59 1HG2 VAL 59 5.358 -0.557 1.687 420 HG23 VAL 59 2HG2 VAL 59 5.586 -0.975 -0.011 421 H LEU 60 H LEU 60 5.897 -0.128 3.657 422 HA LEU 60 HA LEU 60 8.491 -1.226 4.423 423 HB2 LEU 60 1HB LEU 60 6.258 -0.538 5.877 424 HB3 LEU 60 2HB LEU 60 6.106 -2.278 5.760 425 HG LEU 60 HG LEU 60 7.237 -1.690 7.812 426 HD11 LEU 60 1HD1 LEU 60 9.472 -2.705 6.126 427 HD12 LEU 60 2HD1 LEU 60 7.990 -3.653 6.248 428 HD13 LEU 60 3HD1 LEU 60 8.905 -3.257 7.702 429 HD21 LEU 60 3HD2 LEU 60 9.684 -0.723 7.326 430 HD22 LEU 60 1HD2 LEU 60 8.293 0.306 7.667 431 HD23 LEU 60 2HD2 LEU 60 8.806 0.042 6.001 432 H ARG 61 H ARG 61 9.085 -3.321 4.144 433 HA ARG 61 HA ARG 61 7.238 -5.050 2.635 434 HB2 ARG 61 1HB ARG 61 9.276 -6.018 1.545 435 HB3 ARG 61 2HB ARG 61 8.967 -4.338 1.130 436 HG2 ARG 61 1HG ARG 61 10.792 -4.868 3.406 437 HG3 ARG 61 2HG ARG 61 11.378 -5.225 1.780 438 HD2 ARG 61 1HD ARG 61 10.830 -2.936 1.089 439 HD3 ARG 61 2HD ARG 61 10.260 -2.580 2.716 440 HE ARG 61 HE ARG 61 12.438 -2.375 3.409 441 HH11 ARG 61 1HH1 ARG 61 12.392 -3.868 0.240 442 HH12 ARG 61 2HH1 ARG 61 14.100 -3.719 0.008 443 HH21 ARG 61 1HH2 ARG 61 14.690 -2.181 3.098 444 HH22 ARG 61 2HH2 ARG 61 15.406 -2.758 1.632 445 H ASN 62 H ASN 62 7.227 -7.250 3.105 446 HA ASN 62 HA ASN 62 8.101 -7.917 5.786 447 HB2 ASN 62 1HB ASN 62 6.797 -9.970 5.489 448 HB3 ASN 62 2HB ASN 62 5.849 -8.554 5.051 449 HD21 ASN 62 2HD2 ASN 62 6.827 -11.602 4.101 450 HD22 ASN 62 1HD2 ASN 62 6.380 -11.516 2.434 451 H GLY 63 H GLY 63 10.036 -7.693 3.377 452 HA2 GLY 63 1HA GLY 63 12.202 -8.783 3.569 453 HA3 GLY 63 2HA GLY 63 11.354 -10.288 3.871 454 H GLU 64 H GLU 64 10.178 -8.152 1.393 455 HA GLU 64 HA GLU 64 11.099 -10.068 -0.634 456 HB2 GLU 64 1HB GLU 64 8.546 -9.072 -0.075 457 HB3 GLU 64 2HB GLU 64 9.050 -8.229 -1.532 458 HG2 GLU 64 1HG GLU 64 7.856 -10.196 -2.158 459 HG3 GLU 64 2HG GLU 64 9.554 -10.419 -2.571 460 H ALA 65 H ALA 65 11.727 -9.248 -2.711 461 HA ALA 65 HA ALA 65 13.055 -6.644 -2.509 462 HB1 ALA 65 3HB ALA 65 14.102 -7.645 -4.751 463 HB2 ALA 65 1HB ALA 65 13.643 -9.153 -3.963 464 HB3 ALA 65 2HB ALA 65 14.732 -8.030 -3.150 465 H ALA 66 H ALA 66 11.688 -5.081 -3.153 466 HA ALA 66 HA ALA 66 10.437 -3.755 -4.499 467 HB1 ALA 66 3HB ALA 66 10.525 -4.566 -7.050 468 HB2 ALA 66 1HB ALA 66 11.932 -5.424 -6.419 469 HB3 ALA 66 2HB ALA 66 11.830 -3.670 -6.271 470 H ALA 67 H ALA 67 8.341 -3.876 -4.073 471 HA ALA 67 HA ALA 67 6.819 -6.263 -4.826 472 HB1 ALA 67 3HB ALA 67 6.806 -4.891 -2.510 473 HB2 ALA 67 1HB ALA 67 5.432 -5.829 -3.096 474 HB3 ALA 67 2HB ALA 67 5.483 -4.085 -3.351 475 H LEU 68 H LEU 68 5.298 -6.275 -6.379 476 HA LEU 68 HA LEU 68 3.855 -4.013 -7.268 477 HB2 LEU 68 1HB LEU 68 6.377 -4.037 -8.335 478 HB3 LEU 68 2HB LEU 68 5.469 -4.914 -9.550 479 HG LEU 68 HG LEU 68 5.619 -2.551 -10.114 480 HD11 LEU 68 1HD1 LEU 68 2.988 -3.793 -9.519 481 HD12 LEU 68 2HD1 LEU 68 3.706 -3.334 -11.062 482 HD13 LEU 68 3HD1 LEU 68 3.022 -2.099 -10.007 483 HD21 LEU 68 3HD2 LEU 68 4.620 -2.215 -7.339 484 HD22 LEU 68 1HD2 LEU 68 4.081 -1.062 -8.560 485 HD23 LEU 68 2HD2 LEU 68 5.803 -1.270 -8.242 486 H GLY 69 H GLY 69 5.224 -6.836 -8.986 487 HA2 GLY 69 1HA GLY 69 2.484 -7.645 -9.669 488 HA3 GLY 69 2HA GLY 69 3.945 -8.173 -10.487 489 H GLU 70 H GLU 70 2.997 -8.184 -7.044 490 HA GLU 70 HA GLU 70 3.651 -11.050 -7.000 491 HB2 GLU 70 1HB GLU 70 4.110 -8.836 -5.114 492 HB3 GLU 70 2HB GLU 70 3.575 -10.339 -4.373 493 HG2 GLU 70 1HG GLU 70 5.597 -11.205 -4.557 494 HG3 GLU 70 2HG GLU 70 5.614 -10.904 -6.293 495 H ALA 71 H ALA 71 1.058 -9.991 -7.838 496 HA ALA 71 HA ALA 71 -0.924 -10.106 -5.897 497 HB1 ALA 71 3HB ALA 71 -1.081 -9.539 -8.413 498 HB2 ALA 71 1HB ALA 71 -2.459 -10.313 -7.633 499 HB3 ALA 71 2HB ALA 71 -1.356 -11.267 -8.623 500 H THR 72 H THR 72 0.770 -12.723 -7.548 501 HA THR 72 HA THR 72 -0.882 -14.717 -6.176 502 HB THR 72 HB THR 72 0.762 -16.230 -7.659 503 HG1 THR 72 HG1 THR 72 1.510 -15.216 -9.397 504 HG21 THR 72 3HG2 THR 72 -1.650 -16.260 -7.887 505 HG22 THR 72 1HG2 THR 72 -0.872 -16.192 -9.468 506 HG23 THR 72 2HG2 THR 72 -1.597 -14.740 -8.779 507 H ALA 73 H ALA 73 1.054 -13.089 -4.699 508 HA ALA 73 HA ALA 73 2.954 -15.183 -3.858 509 HB1 ALA 73 3HB ALA 73 4.562 -13.622 -3.508 510 HB2 ALA 73 1HB ALA 73 3.408 -12.388 -3.000 511 HB3 ALA 73 2HB ALA 73 3.635 -12.730 -4.714 512 H ALA 74 H ALA 74 3.262 -15.524 -1.610 513 HA ALA 74 HA ALA 74 0.872 -15.184 -0.056 514 HB1 ALA 74 3HB ALA 74 2.565 -16.195 1.744 515 HB2 ALA 74 1HB ALA 74 3.442 -16.621 0.276 516 HB3 ALA 74 2HB ALA 74 1.789 -17.186 0.509 517 H GLY 75 H GLY 75 0.971 -12.776 -0.209 518 HA2 GLY 75 1HA GLY 75 1.034 -11.234 1.775 519 HA3 GLY 75 2HA GLY 75 2.741 -11.640 1.864 520 H ASP 76 H ASP 76 1.356 -9.033 1.465 521 HA ASP 76 HA ASP 76 2.414 -8.312 -1.184 522 HB2 ASP 76 1HB ASP 76 0.260 -7.121 0.538 523 HB3 ASP 76 2HB ASP 76 1.050 -6.149 -0.697 524 H GLU 77 H GLU 77 1.910 -6.476 1.813 525 HA GLU 77 HA GLU 77 4.759 -5.920 2.020 526 HB2 GLU 77 1HB GLU 77 4.256 -3.431 2.171 527 HB3 GLU 77 2HB GLU 77 4.151 -4.138 0.566 528 HG2 GLU 77 1HG GLU 77 1.867 -3.942 0.476 529 HG3 GLU 77 2HG GLU 77 1.691 -3.954 2.227 530 H LEU 78 H LEU 78 4.730 -3.943 3.911 531 HA LEU 78 HA LEU 78 3.234 -5.196 6.119 532 HB2 LEU 78 1HB LEU 78 5.993 -4.612 5.837 533 HB3 LEU 78 2HB LEU 78 5.362 -3.525 7.058 534 HG LEU 78 HG LEU 78 6.313 -5.638 7.968 535 HD11 LEU 78 1HD1 LEU 78 3.475 -4.840 8.440 536 HD12 LEU 78 2HD1 LEU 78 4.892 -4.618 9.466 537 HD13 LEU 78 3HD1 LEU 78 4.163 -6.215 9.305 538 HD21 LEU 78 3HD2 LEU 78 3.891 -7.109 7.064 539 HD22 LEU 78 1HD2 LEU 78 5.482 -7.717 7.516 540 HD23 LEU 78 2HD2 LEU 78 5.246 -6.946 5.948 541 H ALA 79 H ALA 79 4.336 -2.090 4.789 542 HA ALA 79 HA ALA 79 1.945 -0.791 5.743 543 HB1 ALA 79 3HB ALA 79 3.052 0.894 7.095 544 HB2 ALA 79 1HB ALA 79 4.620 0.150 6.784 545 HB3 ALA 79 2HB ALA 79 3.407 -0.713 7.729 546 H LEU 80 H LEU 80 1.929 1.575 5.070 547 HA LEU 80 HA LEU 80 3.739 2.224 2.872 548 HB2 LEU 80 1HB LEU 80 1.709 0.943 2.005 549 HB3 LEU 80 2HB LEU 80 0.755 2.341 2.462 550 HG LEU 80 HG LEU 80 3.101 2.815 0.695 551 HD11 LEU 80 1HD1 LEU 80 0.595 1.389 -0.151 552 HD12 LEU 80 2HD1 LEU 80 2.272 0.918 -0.429 553 HD13 LEU 80 3HD1 LEU 80 1.595 2.307 -1.278 554 HD21 LEU 80 3HD2 LEU 80 0.283 3.882 0.651 555 HD22 LEU 80 1HD2 LEU 80 1.675 4.515 -0.225 556 HD23 LEU 80 2HD2 LEU 80 1.616 4.623 1.533 557 H PHE 81 H PHE 81 4.533 4.048 3.834 558 HA PHE 81 HA PHE 81 2.724 6.310 4.040 559 HB2 PHE 81 1HB PHE 81 3.393 6.908 6.316 560 HB3 PHE 81 2HB PHE 81 2.615 5.331 6.290 561 HD1 PHE 81 HD2 PHE 81 4.323 3.300 6.025 562 HD2 PHE 81 HD1 PHE 81 5.299 7.147 7.564 563 HE1 PHE 81 HE2 PHE 81 6.256 2.336 7.202 564 HE2 PHE 81 HE1 PHE 81 7.231 6.189 8.745 565 HZ PHE 81 HZ PHE 81 7.713 3.781 8.565 566 HA PRO 82 HA PRO 82 6.116 8.519 2.254 567 HB2 PRO 82 1HB PRO 82 5.276 10.759 4.028 568 HB3 PRO 82 2HB PRO 82 5.500 10.734 2.275 569 HG2 PRO 82 1HG PRO 82 3.057 10.741 3.331 570 HG3 PRO 82 2HG PRO 82 3.423 9.776 1.890 571 HD2 PRO 82 1HD PRO 82 3.075 8.897 4.724 572 HD3 PRO 82 2HD PRO 82 2.586 8.088 3.222 573 HA PRO 83 HA PRO 83 9.446 8.287 5.164 574 HB2 PRO 83 1HB PRO 83 11.246 9.967 4.001 575 HB3 PRO 83 2HB PRO 83 10.903 8.344 3.399 576 HG2 PRO 83 1HG PRO 83 9.897 10.980 2.419 577 HG3 PRO 83 2HG PRO 83 10.418 9.562 1.492 578 HD2 PRO 83 1HD PRO 83 7.805 10.171 1.919 579 HD3 PRO 83 2HD PRO 83 8.390 8.508 1.728 580 H VAL 84 H VAL 84 8.715 11.606 4.062 581 HA VAL 84 HA VAL 84 8.735 12.503 6.846 582 HB VAL 84 HB VAL 84 10.255 14.009 4.710 583 HG11 VAL 84 1HG1 VAL 84 9.205 15.227 6.698 584 HG12 VAL 84 2HG1 VAL 84 10.921 15.492 6.396 585 HG13 VAL 84 3HG1 VAL 84 10.413 14.400 7.684 586 HG21 VAL 84 3HG2 VAL 84 11.480 11.990 5.142 587 HG22 VAL 84 1HG2 VAL 84 11.301 12.199 6.884 588 HG23 VAL 84 2HG2 VAL 84 12.297 13.321 5.959 589 H SER 85 H SER 85 6.861 13.534 7.175 590 HA SER 85 HA SER 85 5.354 14.562 4.922 591 HB2 SER 85 1HB SER 85 3.594 15.021 6.665 592 HB3 SER 85 2HB SER 85 4.083 13.331 6.547 593 HG SER 85 HG SER 85 4.289 15.051 8.642 594 H GLY 86 H GLY 86 5.367 16.606 4.262 595 HA2 GLY 86 1HA GLY 86 6.470 18.650 6.089 596 HA3 GLY 86 2HA GLY 86 6.606 18.702 4.338 597 H GLY 87 H GLY 87 3.899 18.273 6.639 598 HA2 GLY 87 1HA GLY 87 2.688 20.745 6.263 599 HA3 GLY 87 2HA GLY 87 2.066 19.697 4.999 Start of MODEL 6 1 H1 MET 1 1H MET 1 2.390 -10.241 3.957 2 H2 MET 1 2H MET 1 1.883 -9.223 5.240 3 H3 MET 1 3H MET 1 2.386 -8.541 3.749 4 HA MET 1 HA MET 1 0.528 -9.273 2.635 5 HB2 MET 1 1HB MET 1 0.750 -11.435 4.382 6 HB3 MET 1 2HB MET 1 -0.789 -10.704 4.812 7 HG2 MET 1 1HG MET 1 -1.605 -10.952 2.581 8 HG3 MET 1 2HG MET 1 -0.021 -11.476 2.010 9 HE1 MET 1 3HE MET 1 -1.809 -14.815 1.579 10 HE2 MET 1 1HE MET 1 -1.136 -13.369 0.826 11 HE3 MET 1 2HE MET 1 -2.776 -13.345 1.474 12 H GLU 2 H GLU 2 1.143 -6.993 4.175 13 HA GLU 2 HA GLU 2 -1.546 -6.152 4.917 14 HB2 GLU 2 1HB GLU 2 -0.494 -4.974 6.960 15 HB3 GLU 2 2HB GLU 2 -0.835 -6.694 7.077 16 HG2 GLU 2 1HG GLU 2 1.419 -7.272 6.878 17 HG3 GLU 2 2HG GLU 2 1.869 -5.677 6.278 18 H TRP 3 H TRP 3 -1.662 -3.752 5.218 19 HA TRP 3 HA TRP 3 0.468 -2.218 3.956 20 HB2 TRP 3 1HB TRP 3 -2.360 -2.357 2.868 21 HB3 TRP 3 2HB TRP 3 -1.202 -1.114 2.421 22 HD1 TRP 3 HD TRP 3 -1.552 -4.975 2.203 23 HE1 TRP 3 HE1 TRP 3 -0.361 -5.756 0.061 24 HE3 TRP 3 HE3 TRP 3 0.355 -0.492 0.649 25 HZ2 TRP 3 HZ2 TRP 3 1.181 -4.623 -2.018 26 HZ3 TRP 3 HZ3 TRP 3 1.674 -0.427 -1.426 27 HH2 TRP 3 HH TRP 3 2.079 -2.451 -2.730 28 H LYS 4 H LYS 4 0.772 -0.513 5.253 29 HA LYS 4 HA LYS 4 -1.511 0.509 6.806 30 HB2 LYS 4 1HB LYS 4 1.465 0.625 7.278 31 HB3 LYS 4 2HB LYS 4 0.331 1.612 8.187 32 HG2 LYS 4 1HG LYS 4 -0.823 -0.533 8.845 33 HG3 LYS 4 2HG LYS 4 0.559 -1.384 8.151 34 HD2 LYS 4 1HD LYS 4 2.056 -0.182 9.675 35 HD3 LYS 4 2HD LYS 4 0.670 0.656 10.373 36 HE2 LYS 4 1HE LYS 4 0.341 -2.236 10.349 37 HE3 LYS 4 2HE LYS 4 1.764 -1.722 11.256 38 HZ1 LYS 4 3HZ LYS 4 -0.388 -1.882 12.534 39 HZ2 LYS 4 1HZ LYS 4 -0.905 -0.512 11.686 40 HZ3 LYS 4 2HZ LYS 4 0.454 -0.423 12.688 41 H LEU 5 H LEU 5 -2.061 2.692 6.732 42 HA LEU 5 HA LEU 5 -0.487 4.366 4.890 43 HB2 LEU 5 1HB LEU 5 -2.685 3.298 3.969 44 HB3 LEU 5 2HB LEU 5 -3.476 4.540 4.922 45 HG LEU 5 HG LEU 5 -2.156 6.256 3.665 46 HD11 LEU 5 1HD1 LEU 5 -1.393 3.894 1.952 47 HD12 LEU 5 2HD1 LEU 5 -0.300 4.839 2.964 48 HD13 LEU 5 3HD1 LEU 5 -1.084 5.588 1.572 49 HD21 LEU 5 3HD2 LEU 5 -3.408 5.764 1.440 50 HD22 LEU 5 1HD2 LEU 5 -4.332 6.077 2.910 51 HD23 LEU 5 2HD2 LEU 5 -4.111 4.422 2.341 52 H PHE 6 H PHE 6 -0.397 6.550 5.346 53 HA PHE 6 HA PHE 6 -1.014 7.266 8.079 54 HB2 PHE 6 1HB PHE 6 0.973 7.996 6.294 55 HB3 PHE 6 2HB PHE 6 -0.042 9.431 6.374 56 HD1 PHE 6 HD2 PHE 6 1.759 6.987 8.515 57 HD2 PHE 6 HD1 PHE 6 0.176 10.922 8.147 58 HE1 PHE 6 HE2 PHE 6 2.829 7.612 10.638 59 HE2 PHE 6 HE1 PHE 6 1.245 11.554 10.271 60 HZ PHE 6 HZ PHE 6 2.572 9.898 11.520 61 H ALA 7 H ALA 7 -1.868 9.591 8.427 62 HA ALA 7 HA ALA 7 -4.546 9.674 7.527 63 HB1 ALA 7 3HB ALA 7 -3.797 10.560 9.703 64 HB2 ALA 7 1HB ALA 7 -4.745 11.723 8.777 65 HB3 ALA 7 2HB ALA 7 -2.990 11.882 8.860 66 H ASP 8 H ASP 8 -1.636 10.972 6.169 67 HA ASP 8 HA ASP 8 -2.534 13.205 4.795 68 HB2 ASP 8 1HB ASP 8 -0.228 11.573 4.751 69 HB3 ASP 8 2HB ASP 8 -0.794 11.669 3.086 70 H LEU 9 H LEU 9 -2.988 9.806 4.082 71 HA LEU 9 HA LEU 9 -4.627 10.508 1.734 72 HB2 LEU 9 1HB LEU 9 -3.339 7.862 2.369 73 HB3 LEU 9 2HB LEU 9 -4.190 8.286 0.898 74 HG LEU 9 HG LEU 9 -2.286 10.184 0.855 75 HD11 LEU 9 1HD1 LEU 9 -1.279 9.324 2.954 76 HD12 LEU 9 2HD1 LEU 9 -0.171 9.323 1.583 77 HD13 LEU 9 3HD1 LEU 9 -0.916 7.815 2.115 78 HD21 LEU 9 3HD2 LEU 9 -2.957 8.163 -0.722 79 HD22 LEU 9 1HD2 LEU 9 -1.436 7.512 -0.111 80 HD23 LEU 9 2HD2 LEU 9 -1.458 9.066 -0.945 81 H ALA 10 H ALA 10 -4.476 8.555 4.687 82 HA ALA 10 HA ALA 10 -6.965 7.264 4.391 83 HB1 ALA 10 3HB ALA 10 -5.143 6.608 5.979 84 HB2 ALA 10 1HB ALA 10 -6.764 6.633 6.677 85 HB3 ALA 10 2HB ALA 10 -5.641 7.953 7.003 86 H GLU 11 H GLU 11 -6.292 10.541 5.014 87 HA GLU 11 HA GLU 11 -8.614 11.091 6.619 88 HB2 GLU 11 1HB GLU 11 -6.532 12.447 6.723 89 HB3 GLU 11 2HB GLU 11 -6.853 13.013 5.090 90 HG2 GLU 11 1HG GLU 11 -7.657 14.741 6.374 91 HG3 GLU 11 2HG GLU 11 -9.115 13.802 6.071 92 H VAL 12 H VAL 12 -7.907 10.982 3.188 93 HA VAL 12 HA VAL 12 -10.316 12.451 2.499 94 HB VAL 12 HB VAL 12 -8.498 10.988 0.601 95 HG11 VAL 12 1HG1 VAL 12 -9.904 13.449 -0.191 96 HG12 VAL 12 2HG1 VAL 12 -10.930 12.049 0.110 97 HG13 VAL 12 3HG1 VAL 12 -9.639 11.954 -1.087 98 HG21 VAL 12 3HG2 VAL 12 -7.263 12.632 2.018 99 HG22 VAL 12 1HG2 VAL 12 -8.326 13.892 1.394 100 HG23 VAL 12 2HG2 VAL 12 -7.257 13.017 0.299 101 H ALA 13 H ALA 13 -9.169 9.098 2.405 102 HA ALA 13 HA ALA 13 -11.762 8.232 1.357 103 HB1 ALA 13 3HB ALA 13 -9.411 7.387 0.575 104 HB2 ALA 13 1HB ALA 13 -10.775 6.276 0.683 105 HB3 ALA 13 2HB ALA 13 -9.565 6.313 1.965 106 H GLY 14 H GLY 14 -9.725 7.883 4.234 107 HA2 GLY 14 1HA GLY 14 -10.660 7.655 6.416 108 HA3 GLY 14 2HA GLY 14 -12.088 6.928 5.696 109 H SER 15 H SER 15 -8.882 5.932 4.727 110 HA SER 15 HA SER 15 -9.021 3.555 6.428 111 HB2 SER 15 1HB SER 15 -10.115 2.944 4.304 112 HB3 SER 15 2HB SER 15 -8.672 3.444 3.420 113 HG SER 15 HG SER 15 -8.233 1.380 3.686 114 H ARG 16 H ARG 16 -7.088 3.048 7.262 115 HA ARG 16 HA ARG 16 -4.701 4.238 6.054 116 HB2 ARG 16 1HB ARG 16 -3.895 3.693 8.584 117 HB3 ARG 16 2HB ARG 16 -4.533 5.244 8.069 118 HG2 ARG 16 1HG ARG 16 -6.802 4.423 8.802 119 HG3 ARG 16 2HG ARG 16 -5.971 3.051 9.538 120 HD2 ARG 16 1HD ARG 16 -5.550 5.969 10.181 121 HD3 ARG 16 2HD ARG 16 -6.375 4.782 11.188 122 HE ARG 16 HE ARG 16 -3.676 4.035 10.581 123 HH11 ARG 16 1HH1 ARG 16 -5.668 5.965 12.718 124 HH12 ARG 16 2HH1 ARG 16 -4.499 5.981 13.994 125 HH21 ARG 16 1HH2 ARG 16 -2.133 4.068 12.272 126 HH22 ARG 16 2HH2 ARG 16 -2.496 4.908 13.742 127 H THR 17 H THR 17 -5.188 1.649 8.468 128 HA THR 17 HA THR 17 -3.313 0.004 6.948 129 HB THR 17 HB THR 17 -2.854 -1.181 8.907 130 HG1 THR 17 HG1 THR 17 -4.822 -1.741 9.679 131 HG21 THR 17 3HG2 THR 17 -2.161 1.234 9.063 132 HG22 THR 17 1HG2 THR 17 -2.306 0.369 10.593 133 HG23 THR 17 2HG2 THR 17 -3.577 1.483 10.087 134 H VAL 18 H VAL 18 -3.845 -1.852 5.964 135 HA VAL 18 HA VAL 18 -6.411 -3.138 6.512 136 HB VAL 18 HB VAL 18 -5.651 -2.565 3.653 137 HG11 VAL 18 1HG1 VAL 18 -7.929 -3.808 5.067 138 HG12 VAL 18 2HG1 VAL 18 -7.223 -4.182 3.495 139 HG13 VAL 18 3HG1 VAL 18 -8.316 -2.809 3.666 140 HG21 VAL 18 3HG2 VAL 18 -7.294 -0.744 3.640 141 HG22 VAL 18 1HG2 VAL 18 -5.943 -0.397 4.718 142 HG23 VAL 18 2HG2 VAL 18 -7.492 -0.916 5.384 143 H ARG 19 H ARG 19 -6.218 -5.308 6.499 144 HA ARG 19 HA ARG 19 -3.724 -6.463 5.464 145 HB2 ARG 19 1HB ARG 19 -5.685 -7.327 7.567 146 HB3 ARG 19 2HB ARG 19 -4.635 -8.513 6.805 147 HG2 ARG 19 1HG ARG 19 -2.757 -6.791 7.455 148 HG3 ARG 19 2HG ARG 19 -3.954 -6.280 8.647 149 HD2 ARG 19 1HD ARG 19 -3.103 -9.145 8.292 150 HD3 ARG 19 2HD ARG 19 -2.306 -8.040 9.409 151 HE ARG 19 HE ARG 19 -4.855 -9.317 9.752 152 HH11 ARG 19 1HH1 ARG 19 -2.911 -6.552 10.664 153 HH12 ARG 19 2HH1 ARG 19 -3.751 -6.297 12.156 154 HH21 ARG 19 1HH2 ARG 19 -5.963 -8.974 11.720 155 HH22 ARG 19 2HH2 ARG 19 -5.482 -7.672 12.756 156 H VAL 20 H VAL 20 -3.706 -8.047 3.915 157 HA VAL 20 HA VAL 20 -6.270 -8.538 2.565 158 HB VAL 20 HB VAL 20 -3.508 -9.050 1.456 159 HG11 VAL 20 1HG1 VAL 20 -4.772 -8.923 -0.720 160 HG12 VAL 20 2HG1 VAL 20 -6.257 -8.967 0.230 161 HG13 VAL 20 3HG1 VAL 20 -5.134 -10.324 0.285 162 HG21 VAL 20 3HG2 VAL 20 -3.353 -6.791 1.535 163 HG22 VAL 20 1HG2 VAL 20 -5.098 -6.562 1.630 164 HG23 VAL 20 2HG2 VAL 20 -4.337 -6.905 0.076 165 H ASP 21 H ASP 21 -7.215 -10.427 2.820 166 HA ASP 21 HA ASP 21 -5.589 -12.754 3.581 167 HB2 ASP 21 1HB ASP 21 -8.029 -13.573 4.270 168 HB3 ASP 21 2HB ASP 21 -7.027 -12.623 5.357 169 H VAL 22 H VAL 22 -8.162 -11.606 1.467 170 HA VAL 22 HA VAL 22 -8.164 -14.172 0.047 171 HB VAL 22 HB VAL 22 -10.356 -13.309 0.752 172 HG11 VAL 22 1HG1 VAL 22 -11.265 -11.320 -0.546 173 HG12 VAL 22 2HG1 VAL 22 -9.587 -10.949 -0.939 174 HG13 VAL 22 3HG1 VAL 22 -10.114 -10.972 0.744 175 HG21 VAL 22 3HG2 VAL 22 -10.330 -13.071 -2.227 176 HG22 VAL 22 1HG2 VAL 22 -11.478 -13.901 -1.176 177 HG23 VAL 22 2HG2 VAL 22 -9.883 -14.596 -1.460 178 H ASP 23 H ASP 23 -7.899 -14.267 -2.218 179 HA ASP 23 HA ASP 23 -6.403 -11.992 -3.332 180 HB2 ASP 23 1HB ASP 23 -5.408 -14.416 -3.056 181 HB3 ASP 23 2HB ASP 23 -6.303 -14.732 -4.537 182 H GLY 24 H GLY 24 -6.556 -11.783 -5.764 183 HA2 GLY 24 1HA GLY 24 -8.715 -12.833 -7.224 184 HA3 GLY 24 2HA GLY 24 -9.215 -11.298 -6.532 185 H ASP 25 H ASP 25 -9.072 -9.704 -7.989 186 HA ASP 25 HA ASP 25 -7.007 -9.864 -10.067 187 HB2 ASP 25 1HB ASP 25 -9.612 -9.412 -10.416 188 HB3 ASP 25 2HB ASP 25 -9.111 -7.751 -10.118 189 H ALA 26 H ALA 26 -6.289 -9.131 -7.387 190 HA ALA 26 HA ALA 26 -5.498 -6.319 -7.781 191 HB1 ALA 26 3HB ALA 26 -5.178 -6.474 -5.189 192 HB2 ALA 26 1HB ALA 26 -6.304 -7.825 -5.330 193 HB3 ALA 26 2HB ALA 26 -6.784 -6.217 -5.869 194 H THR 27 H THR 27 -3.412 -6.057 -8.208 195 HA THR 27 HA THR 27 -1.531 -8.204 -7.581 196 HB THR 27 HB THR 27 -0.575 -5.827 -9.056 197 HG1 THR 27 HG1 THR 27 -2.510 -7.577 -10.172 198 HG21 THR 27 3HG2 THR 27 -0.406 -8.428 -10.334 199 HG22 THR 27 1HG2 THR 27 0.327 -8.379 -8.730 200 HG23 THR 27 2HG2 THR 27 0.854 -7.248 -9.977 201 H VAL 28 H VAL 28 0.847 -7.090 -7.268 202 HA VAL 28 HA VAL 28 0.722 -5.919 -4.653 203 HB VAL 28 HB VAL 28 3.177 -6.219 -6.389 204 HG11 VAL 28 1HG1 VAL 28 3.108 -4.815 -4.198 205 HG12 VAL 28 2HG1 VAL 28 4.445 -5.929 -4.482 206 HG13 VAL 28 3HG1 VAL 28 3.127 -6.391 -3.406 207 HG21 VAL 28 3HG2 VAL 28 2.339 -8.240 -4.340 208 HG22 VAL 28 1HG2 VAL 28 3.499 -8.403 -5.657 209 HG23 VAL 28 2HG2 VAL 28 1.773 -8.350 -6.005 210 H GLY 29 H GLY 29 1.626 -4.849 -7.909 211 HA2 GLY 29 1HA GLY 29 2.312 -2.204 -7.059 212 HA3 GLY 29 2HA GLY 29 2.119 -2.742 -8.718 213 H ASP 30 H ASP 30 -0.592 -3.818 -8.067 214 HA ASP 30 HA ASP 30 -2.194 -1.769 -8.979 215 HB2 ASP 30 1HB ASP 30 -3.019 -4.001 -9.058 216 HB3 ASP 30 2HB ASP 30 -2.830 -4.211 -7.321 217 H ALA 31 H ALA 31 -1.568 -2.728 -5.613 218 HA ALA 31 HA ALA 31 -3.145 -0.520 -4.573 219 HB1 ALA 31 3HB ALA 31 -1.583 -2.723 -3.239 220 HB2 ALA 31 1HB ALA 31 -3.335 -2.534 -3.327 221 HB3 ALA 31 2HB ALA 31 -2.377 -1.425 -2.347 222 H LEU 32 H LEU 32 0.233 -1.367 -5.053 223 HA LEU 32 HA LEU 32 1.454 0.510 -3.390 224 HB2 LEU 32 1HB LEU 32 2.457 -1.375 -4.912 225 HB3 LEU 32 2HB LEU 32 2.567 -0.093 -6.104 226 HG LEU 32 HG LEU 32 3.722 0.421 -3.408 227 HD11 LEU 32 1HD1 LEU 32 5.685 -0.786 -3.788 228 HD12 LEU 32 2HD1 LEU 32 5.288 -1.076 -5.481 229 HD13 LEU 32 3HD1 LEU 32 4.396 -1.912 -4.210 230 HD21 LEU 32 3HD2 LEU 32 3.634 2.107 -5.274 231 HD22 LEU 32 1HD2 LEU 32 4.755 1.075 -6.162 232 HD23 LEU 32 2HD2 LEU 32 5.242 1.788 -4.626 233 H ASP 33 H ASP 33 0.844 0.800 -6.889 234 HA ASP 33 HA ASP 33 1.442 3.535 -7.082 235 HB2 ASP 33 1HB ASP 33 1.312 2.003 -9.021 236 HB3 ASP 33 2HB ASP 33 -0.434 1.924 -8.824 237 H ALA 34 H ALA 34 -1.594 1.819 -6.494 238 HA ALA 34 HA ALA 34 -3.390 3.928 -6.663 239 HB1 ALA 34 3HB ALA 34 -3.374 1.444 -4.974 240 HB2 ALA 34 1HB ALA 34 -4.331 1.797 -6.414 241 HB3 ALA 34 2HB ALA 34 -4.694 2.610 -4.892 242 H LEU 35 H LEU 35 -1.740 2.722 -3.749 243 HA LEU 35 HA LEU 35 -2.587 4.786 -2.036 244 HB2 LEU 35 1HB LEU 35 -0.457 2.706 -1.977 245 HB3 LEU 35 2HB LEU 35 -0.354 4.018 -0.818 246 HG LEU 35 HG LEU 35 -2.488 3.425 0.141 247 HD11 LEU 35 1HD1 LEU 35 -2.677 1.166 -1.842 248 HD12 LEU 35 2HD1 LEU 35 -3.526 2.700 -2.030 249 HD13 LEU 35 3HD1 LEU 35 -3.876 1.663 -0.649 250 HD21 LEU 35 3HD2 LEU 35 -0.307 2.112 0.634 251 HD22 LEU 35 1HD2 LEU 35 -1.122 0.789 -0.203 252 HD23 LEU 35 2HD2 LEU 35 -1.844 1.498 1.243 253 H VAL 36 H VAL 36 0.065 4.576 -4.323 254 HA VAL 36 HA VAL 36 1.499 6.835 -3.300 255 HB VAL 36 HB VAL 36 1.645 5.508 -6.015 256 HG11 VAL 36 1HG1 VAL 36 3.968 6.710 -5.920 257 HG12 VAL 36 2HG1 VAL 36 3.131 7.802 -4.818 258 HG13 VAL 36 3HG1 VAL 36 2.537 7.583 -6.464 259 HG21 VAL 36 3HG2 VAL 36 3.913 5.286 -4.178 260 HG22 VAL 36 1HG2 VAL 36 3.122 4.053 -5.157 261 HG23 VAL 36 2HG2 VAL 36 2.440 4.507 -3.596 262 H GLY 37 H GLY 37 -0.587 6.367 -6.171 263 HA2 GLY 37 1HA GLY 37 -1.819 8.919 -5.872 264 HA3 GLY 37 2HA GLY 37 -0.553 9.004 -7.081 265 H ALA 38 H ALA 38 -2.277 5.998 -6.802 266 HA ALA 38 HA ALA 38 -3.631 6.603 -9.339 267 HB1 ALA 38 3HB ALA 38 -3.636 3.804 -8.614 268 HB2 ALA 38 1HB ALA 38 -2.004 4.469 -8.630 269 HB3 ALA 38 2HB ALA 38 -3.020 4.594 -10.065 270 H HIS 39 H HIS 39 -4.324 6.535 -6.127 271 HA HIS 39 HA HIS 39 -7.125 5.822 -6.628 272 HB2 HIS 39 1HB HIS 39 -5.287 4.586 -4.775 273 HB3 HIS 39 2HB HIS 39 -6.611 5.343 -3.896 274 HD1 HIS 39 HD1 HIS 39 -8.760 4.082 -3.809 275 HD2 HIS 39 HD2 HIS 39 -6.215 2.656 -6.770 276 HE1 HIS 39 HE1 HIS 39 -9.854 1.996 -4.689 277 HE2 HIS 39 HE2 HIS 39 -8.296 1.146 -6.478 278 HA PRO 40 HA PRO 40 -6.570 10.313 -5.339 279 HB2 PRO 40 1HB PRO 40 -9.173 10.132 -6.801 280 HB3 PRO 40 2HB PRO 40 -7.974 11.431 -6.816 281 HG2 PRO 40 1HG PRO 40 -8.086 9.745 -8.839 282 HG3 PRO 40 2HG PRO 40 -6.508 10.211 -8.175 283 HD2 PRO 40 1HD PRO 40 -8.034 7.666 -7.826 284 HD3 PRO 40 2HD PRO 40 -6.284 7.923 -7.975 285 H ALA 41 H ALA 41 -9.021 7.866 -4.821 286 HA ALA 41 HA ALA 41 -10.902 9.160 -3.282 287 HB1 ALA 41 3HB ALA 41 -10.783 6.698 -4.022 288 HB2 ALA 41 1HB ALA 41 -11.551 7.072 -2.477 289 HB3 ALA 41 2HB ALA 41 -9.904 6.440 -2.515 290 H LEU 42 H LEU 42 -7.636 8.201 -2.364 291 HA LEU 42 HA LEU 42 -8.112 9.055 0.394 292 HB2 LEU 42 1HB LEU 42 -5.546 7.902 -0.646 293 HB3 LEU 42 2HB LEU 42 -6.149 7.923 0.997 294 HG LEU 42 HG LEU 42 -8.037 6.440 -0.456 295 HD11 LEU 42 1HD1 LEU 42 -6.987 5.045 -1.890 296 HD12 LEU 42 2HD1 LEU 42 -5.474 5.070 -0.984 297 HD13 LEU 42 3HD1 LEU 42 -5.884 6.410 -2.054 298 HD21 LEU 42 3HD2 LEU 42 -7.676 5.784 1.717 299 HD22 LEU 42 1HD2 LEU 42 -5.922 5.873 1.569 300 HD23 LEU 42 2HD2 LEU 42 -6.802 4.531 0.839 301 H GLU 43 H GLU 43 -6.781 10.217 -2.540 302 HA GLU 43 HA GLU 43 -6.031 12.692 -1.325 303 HB2 GLU 43 1HB GLU 43 -4.060 10.996 -0.991 304 HB3 GLU 43 2HB GLU 43 -3.741 11.323 -2.689 305 HG2 GLU 43 1HG GLU 43 -3.668 13.759 -2.103 306 HG3 GLU 43 2HG GLU 43 -3.729 13.276 -0.407 307 H SER 44 H SER 44 -7.355 13.690 -2.811 308 HA SER 44 HA SER 44 -7.203 13.137 -5.614 309 HB2 SER 44 1HB SER 44 -9.165 14.160 -4.142 310 HB3 SER 44 2HB SER 44 -8.411 15.679 -4.624 311 HG SER 44 HG SER 44 -9.358 13.633 -6.351 312 H ARG 45 H ARG 45 -6.150 15.883 -3.584 313 HA ARG 45 HA ARG 45 -3.954 16.398 -5.381 314 HB2 ARG 45 1HB ARG 45 -6.367 18.119 -5.297 315 HB3 ARG 45 2HB ARG 45 -4.819 18.951 -5.259 316 HG2 ARG 45 1HG ARG 45 -4.776 18.799 -7.465 317 HG3 ARG 45 2HG ARG 45 -4.553 17.059 -7.281 318 HD2 ARG 45 1HD ARG 45 -7.212 17.190 -6.979 319 HD3 ARG 45 2HD ARG 45 -6.973 18.606 -8.004 320 HE ARG 45 HE ARG 45 -5.563 16.527 -9.176 321 HH11 ARG 45 1HH1 ARG 45 -8.899 17.261 -8.401 322 HH12 ARG 45 2HH1 ARG 45 -9.539 16.323 -9.708 323 HH21 ARG 45 1HH2 ARG 45 -6.413 15.291 -10.897 324 HH22 ARG 45 2HH2 ARG 45 -8.128 15.205 -11.123 325 H VAL 46 H VAL 46 -2.237 17.184 -4.303 326 HA VAL 46 HA VAL 46 -2.594 17.799 -1.465 327 HB VAL 46 HB VAL 46 0.011 17.428 -2.951 328 HG11 VAL 46 1HG1 VAL 46 0.899 16.960 -0.697 329 HG12 VAL 46 2HG1 VAL 46 -0.683 17.342 -0.016 330 HG13 VAL 46 3HG1 VAL 46 0.246 18.592 -0.842 331 HG21 VAL 46 3HG2 VAL 46 -1.493 15.356 -1.357 332 HG22 VAL 46 1HG2 VAL 46 0.037 15.141 -2.206 333 HG23 VAL 46 2HG2 VAL 46 -1.445 15.421 -3.118 334 H PHE 47 H PHE 47 -1.130 19.160 -4.393 335 HA PHE 47 HA PHE 47 -1.733 21.827 -3.687 336 HB2 PHE 47 1HB PHE 47 0.119 21.476 -2.081 337 HB3 PHE 47 2HB PHE 47 1.189 21.076 -3.417 338 HD1 PHE 47 HD2 PHE 47 -0.624 23.766 -1.716 339 HD2 PHE 47 HD1 PHE 47 2.067 22.788 -4.864 340 HE1 PHE 47 HE2 PHE 47 -0.042 26.144 -1.952 341 HE2 PHE 47 HE1 PHE 47 2.655 25.164 -5.103 342 HZ PHE 47 HZ PHE 47 1.599 26.847 -3.647 343 H GLY 48 H GLY 48 1.062 20.307 -5.334 344 HA2 GLY 48 1HA GLY 48 0.196 21.683 -7.800 345 HA3 GLY 48 2HA GLY 48 1.873 21.334 -7.402 346 H ASP 49 H ASP 49 -1.022 20.166 -8.835 347 HA ASP 49 HA ASP 49 -0.480 17.407 -8.906 348 HB2 ASP 49 1HB ASP 49 -2.585 18.910 -9.667 349 HB3 ASP 49 2HB ASP 49 -1.862 18.605 -11.243 350 H ASP 50 H ASP 50 -0.074 19.758 -11.579 351 HA ASP 50 HA ASP 50 1.929 17.967 -12.753 352 HB2 ASP 50 1HB ASP 50 0.053 19.989 -13.858 353 HB3 ASP 50 2HB ASP 50 1.602 19.807 -14.675 354 H GLY 51 H GLY 51 1.566 21.113 -11.298 355 HA2 GLY 51 1HA GLY 51 3.971 22.269 -12.280 356 HA3 GLY 51 2HA GLY 51 3.058 22.812 -10.881 357 H GLU 52 H GLU 52 5.499 20.528 -11.997 358 HA GLU 52 HA GLU 52 7.245 19.508 -10.975 359 HB2 GLU 52 1HB GLU 52 7.543 22.001 -10.284 360 HB3 GLU 52 2HB GLU 52 7.048 21.444 -8.691 361 HG2 GLU 52 1HG GLU 52 8.957 20.242 -8.359 362 HG3 GLU 52 2HG GLU 52 9.214 19.963 -10.080 363 H LEU 53 H LEU 53 5.870 17.667 -10.600 364 HA LEU 53 HA LEU 53 4.863 17.346 -7.873 365 HB2 LEU 53 1HB LEU 53 3.425 16.726 -9.803 366 HB3 LEU 53 2HB LEU 53 4.596 15.502 -10.250 367 HG LEU 53 HG LEU 53 4.183 14.358 -8.086 368 HD11 LEU 53 1HD1 LEU 53 1.838 15.181 -7.118 369 HD12 LEU 53 2HD1 LEU 53 2.460 16.730 -7.688 370 HD13 LEU 53 3HD1 LEU 53 3.383 15.785 -6.519 371 HD21 LEU 53 3HD2 LEU 53 2.964 13.282 -9.663 372 HD22 LEU 53 1HD2 LEU 53 2.144 14.750 -10.192 373 HD23 LEU 53 2HD2 LEU 53 1.621 13.930 -8.721 374 H TYR 54 H TYR 54 6.622 16.950 -6.587 375 HA TYR 54 HA TYR 54 7.925 14.374 -6.956 376 HB2 TYR 54 1HB TYR 54 9.353 17.007 -7.027 377 HB3 TYR 54 2HB TYR 54 10.155 15.611 -6.314 378 HD1 TYR 54 HD1 TYR 54 10.466 13.537 -7.743 379 HD2 TYR 54 HD2 TYR 54 9.263 17.283 -9.364 380 HE1 TYR 54 HE1 TYR 54 11.143 12.779 -9.981 381 HE2 TYR 54 HE2 TYR 54 9.937 16.535 -11.606 382 HH TYR 54 HH TYR 54 11.863 13.858 -12.155 383 H ASP 55 H ASP 55 7.682 13.337 -5.101 384 HA ASP 55 HA ASP 55 8.292 14.681 -2.589 385 HB2 ASP 55 1HB ASP 55 5.590 13.733 -3.384 386 HB3 ASP 55 2HB ASP 55 6.102 13.380 -1.738 387 H HIS 56 H HIS 56 8.849 13.267 -0.896 388 HA HIS 56 HA HIS 56 9.769 10.664 -1.804 389 HB2 HIS 56 1HB HIS 56 10.273 12.349 0.632 390 HB3 HIS 56 2HB HIS 56 10.708 10.643 0.629 391 HD1 HIS 56 HD1 HIS 56 11.404 13.768 -1.426 392 HD2 HIS 56 HD2 HIS 56 13.159 10.137 -0.421 393 HE1 HIS 56 HE1 HIS 56 13.717 13.844 -2.409 394 HE2 HIS 56 HE2 HIS 56 14.775 11.654 -1.754 395 H ILE 57 H ILE 57 9.378 8.707 -0.535 396 HA ILE 57 HA ILE 57 7.141 8.705 1.303 397 HB ILE 57 HB ILE 57 5.939 6.901 0.002 398 HG12 ILE 57 1HG1 ILE 57 7.870 6.529 -1.602 399 HG13 ILE 57 2HG1 ILE 57 6.279 6.654 -2.339 400 HG21 ILE 57 1HG2 ILE 57 4.601 8.443 -1.217 401 HG22 ILE 57 2HG2 ILE 57 5.932 9.592 -1.341 402 HG23 ILE 57 3HG2 ILE 57 5.188 9.271 0.225 403 HD11 ILE 57 3HD1 ILE 57 7.284 9.254 -2.335 404 HD12 ILE 57 1HD1 ILE 57 7.133 8.163 -3.710 405 HD13 ILE 57 2HD1 ILE 57 8.639 8.225 -2.795 406 H ASN 58 H ASN 58 7.578 7.299 2.864 407 HA ASN 58 HA ASN 58 9.617 5.259 2.372 408 HB2 ASN 58 1HB ASN 58 8.522 6.512 4.883 409 HB3 ASN 58 2HB ASN 58 9.501 5.049 4.931 410 HD21 ASN 58 2HD2 ASN 58 11.587 5.358 5.223 411 HD22 ASN 58 1HD2 ASN 58 12.474 6.780 4.810 412 H VAL 59 H VAL 59 9.248 3.109 2.533 413 HA VAL 59 HA VAL 59 6.642 2.185 3.489 414 HB VAL 59 HB VAL 59 6.419 2.455 1.053 415 HG11 VAL 59 1HG1 VAL 59 8.233 0.208 0.449 416 HG12 VAL 59 2HG1 VAL 59 9.006 1.740 0.854 417 HG13 VAL 59 3HG1 VAL 59 7.864 1.656 -0.487 418 HG21 VAL 59 3HG2 VAL 59 5.077 0.763 2.038 419 HG22 VAL 59 1HG2 VAL 59 6.430 -0.364 2.110 420 HG23 VAL 59 2HG2 VAL 59 5.742 0.087 0.551 421 H LEU 60 H LEU 60 6.650 0.184 4.428 422 HA LEU 60 HA LEU 60 9.286 -1.011 4.850 423 HB2 LEU 60 1HB LEU 60 7.567 -0.336 6.711 424 HB3 LEU 60 2HB LEU 60 6.818 -1.868 6.306 425 HG LEU 60 HG LEU 60 8.773 -3.093 6.950 426 HD11 LEU 60 1HD1 LEU 60 10.586 -1.404 8.081 427 HD12 LEU 60 2HD1 LEU 60 10.070 -0.481 6.669 428 HD13 LEU 60 3HD1 LEU 60 10.727 -2.106 6.469 429 HD21 LEU 60 3HD2 LEU 60 7.643 -1.094 8.815 430 HD22 LEU 60 1HD2 LEU 60 9.100 -1.939 9.341 431 HD23 LEU 60 2HD2 LEU 60 7.658 -2.855 8.906 432 H ARG 61 H ARG 61 9.817 -3.008 4.172 433 HA ARG 61 HA ARG 61 7.722 -4.619 2.866 434 HB2 ARG 61 1HB ARG 61 10.142 -3.540 1.762 435 HB3 ARG 61 2HB ARG 61 10.242 -5.293 1.756 436 HG2 ARG 61 1HG ARG 61 7.665 -4.327 0.826 437 HG3 ARG 61 2HG ARG 61 9.013 -3.720 -0.139 438 HD2 ARG 61 1HD ARG 61 9.673 -5.847 -0.789 439 HD3 ARG 61 2HD ARG 61 8.871 -6.621 0.579 440 HE ARG 61 HE ARG 61 6.964 -5.383 -1.097 441 HH11 ARG 61 1HH1 ARG 61 9.095 -8.156 -1.005 442 HH12 ARG 61 2HH1 ARG 61 8.068 -9.134 -1.997 443 HH21 ARG 61 1HH2 ARG 61 5.608 -6.678 -2.394 444 HH22 ARG 61 2HH2 ARG 61 6.085 -8.297 -2.780 445 H ASN 62 H ASN 62 7.813 -6.852 3.114 446 HA ASN 62 HA ASN 62 8.705 -7.870 5.546 447 HB2 ASN 62 1HB ASN 62 8.097 -9.349 2.976 448 HB3 ASN 62 2HB ASN 62 8.302 -10.120 4.545 449 HD21 ASN 62 2HD2 ASN 62 6.306 -10.879 4.911 450 HD22 ASN 62 1HD2 ASN 62 4.883 -9.904 4.999 451 H GLY 63 H GLY 63 10.480 -7.368 2.624 452 HA2 GLY 63 1HA GLY 63 12.908 -7.340 2.812 453 HA3 GLY 63 2HA GLY 63 12.783 -8.784 3.808 454 H GLU 64 H GLU 64 10.773 -8.494 0.995 455 HA GLU 64 HA GLU 64 12.468 -10.438 -0.432 456 HB2 GLU 64 1HB GLU 64 10.030 -10.991 0.575 457 HB3 GLU 64 2HB GLU 64 9.553 -10.336 -0.985 458 HG2 GLU 64 1HG GLU 64 11.556 -12.073 -1.665 459 HG3 GLU 64 2HG GLU 64 10.774 -12.894 -0.315 460 H ALA 65 H ALA 65 12.042 -10.446 -2.838 461 HA ALA 65 HA ALA 65 12.537 -7.937 -3.953 462 HB1 ALA 65 3HB ALA 65 11.419 -10.359 -5.367 463 HB2 ALA 65 1HB ALA 65 13.127 -10.075 -5.034 464 HB3 ALA 65 2HB ALA 65 12.248 -8.994 -6.115 465 H ALA 66 H ALA 66 11.249 -6.267 -4.374 466 HA ALA 66 HA ALA 66 8.530 -6.196 -3.763 467 HB1 ALA 66 3HB ALA 66 9.265 -4.073 -3.796 468 HB2 ALA 66 1HB ALA 66 8.733 -4.118 -5.478 469 HB3 ALA 66 2HB ALA 66 10.433 -4.380 -5.081 470 H ALA 67 H ALA 67 7.154 -7.579 -4.709 471 HA ALA 67 HA ALA 67 7.267 -8.233 -7.501 472 HB1 ALA 67 3HB ALA 67 4.947 -9.286 -6.840 473 HB2 ALA 67 1HB ALA 67 5.533 -8.996 -5.201 474 HB3 ALA 67 2HB ALA 67 6.462 -10.013 -6.303 475 H LEU 68 H LEU 68 5.433 -7.945 -8.966 476 HA LEU 68 HA LEU 68 3.520 -5.867 -8.414 477 HB2 LEU 68 1HB LEU 68 5.936 -4.979 -9.285 478 HB3 LEU 68 2HB LEU 68 5.102 -5.205 -10.805 479 HG LEU 68 HG LEU 68 3.769 -3.656 -8.627 480 HD11 LEU 68 1HD1 LEU 68 4.879 -1.675 -9.112 481 HD12 LEU 68 2HD1 LEU 68 5.566 -2.310 -10.608 482 HD13 LEU 68 3HD1 LEU 68 6.183 -2.862 -9.050 483 HD21 LEU 68 3HD2 LEU 68 2.279 -3.839 -10.342 484 HD22 LEU 68 1HD2 LEU 68 3.537 -3.974 -11.571 485 HD23 LEU 68 2HD2 LEU 68 3.143 -2.400 -10.881 486 H GLY 69 H GLY 69 3.735 -8.736 -9.408 487 HA2 GLY 69 1HA GLY 69 1.857 -8.398 -11.638 488 HA3 GLY 69 2HA GLY 69 3.256 -9.428 -11.881 489 H GLU 70 H GLU 70 2.042 -9.483 -8.691 490 HA GLU 70 HA GLU 70 -0.075 -11.273 -8.829 491 HB2 GLU 70 1HB GLU 70 2.352 -12.530 -9.540 492 HB3 GLU 70 2HB GLU 70 1.995 -13.058 -7.903 493 HG2 GLU 70 1HG GLU 70 -0.093 -13.963 -8.551 494 HG3 GLU 70 2HG GLU 70 -0.007 -13.199 -10.138 495 H ALA 71 H ALA 71 -0.826 -10.180 -7.048 496 HA ALA 71 HA ALA 71 0.764 -9.671 -4.740 497 HB1 ALA 71 3HB ALA 71 -1.570 -8.660 -5.669 498 HB2 ALA 71 1HB ALA 71 -0.966 -8.431 -4.029 499 HB3 ALA 71 2HB ALA 71 -2.146 -9.698 -4.365 500 H THR 72 H THR 72 -0.574 -12.534 -5.852 501 HA THR 72 HA THR 72 -1.431 -13.663 -3.372 502 HB THR 72 HB THR 72 -2.299 -14.409 -5.557 503 HG1 THR 72 HG1 THR 72 -2.275 -16.583 -5.061 504 HG21 THR 72 3HG2 THR 72 -1.100 -15.271 -7.231 505 HG22 THR 72 1HG2 THR 72 -0.018 -16.145 -6.146 506 HG23 THR 72 2HG2 THR 72 0.249 -14.432 -6.466 507 H ALA 73 H ALA 73 1.608 -12.799 -4.271 508 HA ALA 73 HA ALA 73 3.140 -15.098 -3.667 509 HB1 ALA 73 3HB ALA 73 4.214 -12.350 -3.222 510 HB2 ALA 73 1HB ALA 73 3.788 -12.859 -4.856 511 HB3 ALA 73 2HB ALA 73 4.993 -13.761 -3.938 512 H ALA 74 H ALA 74 4.940 -14.669 -1.798 513 HA ALA 74 HA ALA 74 3.535 -15.066 0.646 514 HB1 ALA 74 3HB ALA 74 5.479 -16.284 0.592 515 HB2 ALA 74 1HB ALA 74 5.989 -14.901 1.558 516 HB3 ALA 74 2HB ALA 74 6.405 -14.982 -0.154 517 H GLY 75 H GLY 75 2.341 -13.021 0.717 518 HA2 GLY 75 1HA GLY 75 1.975 -11.055 1.878 519 HA3 GLY 75 2HA GLY 75 3.632 -11.136 2.453 520 H ASP 76 H ASP 76 2.391 -8.733 1.682 521 HA ASP 76 HA ASP 76 3.736 -8.112 -0.860 522 HB2 ASP 76 1HB ASP 76 1.388 -6.804 0.510 523 HB3 ASP 76 2HB ASP 76 2.258 -6.040 -0.816 524 H GLU 77 H GLU 77 2.736 -6.019 1.822 525 HA GLU 77 HA GLU 77 5.556 -5.314 2.253 526 HB2 GLU 77 1HB GLU 77 5.049 -2.967 2.331 527 HB3 GLU 77 2HB GLU 77 4.420 -3.605 0.821 528 HG2 GLU 77 1HG GLU 77 2.213 -3.440 1.524 529 HG3 GLU 77 2HG GLU 77 2.661 -3.357 3.226 530 H LEU 78 H LEU 78 5.489 -3.639 4.278 531 HA LEU 78 HA LEU 78 4.088 -5.117 6.397 532 HB2 LEU 78 1HB LEU 78 6.786 -4.325 6.109 533 HB3 LEU 78 2HB LEU 78 6.114 -3.347 7.397 534 HG LEU 78 HG LEU 78 7.159 -5.341 8.301 535 HD11 LEU 78 1HD1 LEU 78 5.471 -4.736 9.724 536 HD12 LEU 78 2HD1 LEU 78 4.976 -6.379 9.319 537 HD13 LEU 78 3HD1 LEU 78 4.207 -5.006 8.524 538 HD21 LEU 78 3HD2 LEU 78 6.152 -7.571 7.824 539 HD22 LEU 78 1HD2 LEU 78 7.004 -6.854 6.456 540 HD23 LEU 78 2HD2 LEU 78 5.241 -6.824 6.510 541 H ALA 79 H ALA 79 4.818 -1.884 5.168 542 HA ALA 79 HA ALA 79 2.382 -0.790 6.096 543 HB1 ALA 79 3HB ALA 79 3.290 -0.828 8.291 544 HB2 ALA 79 1HB ALA 79 3.404 0.842 7.737 545 HB3 ALA 79 2HB ALA 79 4.836 -0.187 7.739 546 H LEU 80 H LEU 80 2.334 1.647 5.764 547 HA LEU 80 HA LEU 80 4.400 2.608 3.918 548 HB2 LEU 80 1HB LEU 80 2.061 1.654 2.936 549 HB3 LEU 80 2HB LEU 80 1.621 3.329 3.206 550 HG LEU 80 HG LEU 80 4.171 2.895 1.774 551 HD11 LEU 80 1HD1 LEU 80 3.346 2.067 -0.187 552 HD12 LEU 80 2HD1 LEU 80 1.703 2.620 0.138 553 HD13 LEU 80 3HD1 LEU 80 2.332 1.192 0.960 554 HD21 LEU 80 3HD2 LEU 80 2.013 4.606 0.721 555 HD22 LEU 80 1HD2 LEU 80 3.734 4.938 0.922 556 HD23 LEU 80 2HD2 LEU 80 2.647 5.049 2.305 557 H PHE 81 H PHE 81 5.193 4.340 4.904 558 HA PHE 81 HA PHE 81 3.337 6.185 6.256 559 HB2 PHE 81 1HB PHE 81 6.302 5.828 6.753 560 HB3 PHE 81 2HB PHE 81 5.220 6.886 7.648 561 HD1 PHE 81 HD2 PHE 81 2.912 5.275 8.219 562 HD2 PHE 81 HD1 PHE 81 7.016 4.146 8.144 563 HE1 PHE 81 HE2 PHE 81 2.435 3.445 9.793 564 HE2 PHE 81 HE1 PHE 81 6.545 2.314 9.717 565 HZ PHE 81 HZ PHE 81 4.253 1.962 10.544 566 HA PRO 82 HA PRO 82 4.581 9.382 3.463 567 HB2 PRO 82 1HB PRO 82 4.214 11.606 4.913 568 HB3 PRO 82 2HB PRO 82 2.860 10.564 4.459 569 HG2 PRO 82 1HG PRO 82 4.299 10.777 7.066 570 HG3 PRO 82 2HG PRO 82 2.568 10.566 6.753 571 HD2 PRO 82 1HD PRO 82 4.315 8.529 7.436 572 HD3 PRO 82 2HD PRO 82 2.760 8.300 6.619 573 HA PRO 83 HA PRO 83 8.781 10.703 3.899 574 HB2 PRO 83 1HB PRO 83 8.771 13.229 2.884 575 HB3 PRO 83 2HB PRO 83 8.629 11.782 1.880 576 HG2 PRO 83 1HG PRO 83 6.481 13.617 2.868 577 HG3 PRO 83 2HG PRO 83 6.686 12.898 1.261 578 HD2 PRO 83 1HD PRO 83 4.949 11.902 3.070 579 HD3 PRO 83 2HD PRO 83 5.812 10.864 1.919 580 H VAL 84 H VAL 84 6.489 13.233 4.938 581 HA VAL 84 HA VAL 84 8.411 14.394 6.754 582 HB VAL 84 HB VAL 84 5.462 15.007 6.517 583 HG11 VAL 84 1HG1 VAL 84 5.991 16.074 8.445 584 HG12 VAL 84 2HG1 VAL 84 6.578 17.300 7.321 585 HG13 VAL 84 3HG1 VAL 84 7.709 16.163 8.057 586 HG21 VAL 84 3HG2 VAL 84 5.832 16.328 4.735 587 HG22 VAL 84 1HG2 VAL 84 7.262 15.320 4.503 588 HG23 VAL 84 2HG2 VAL 84 7.401 16.869 5.332 589 H SER 85 H SER 85 8.851 13.499 8.648 590 HA SER 85 HA SER 85 6.778 11.936 10.020 591 HB2 SER 85 1HB SER 85 8.918 11.311 11.452 592 HB3 SER 85 2HB SER 85 8.595 10.522 9.909 593 HG SER 85 HG SER 85 10.423 12.606 10.472 594 H GLY 86 H GLY 86 8.975 14.669 10.424 595 HA2 GLY 86 1HA GLY 86 8.346 15.048 13.203 596 HA3 GLY 86 2HA GLY 86 9.247 16.152 12.178 597 H GLY 87 H GLY 87 7.634 17.325 13.904 598 HA2 GLY 87 1HA GLY 87 5.390 18.250 12.229 599 HA3 GLY 87 2HA GLY 87 5.139 17.893 13.930 Start of MODEL 7 1 H1 MET 1 1H MET 1 2.053 -9.569 5.182 2 H2 MET 1 2H MET 1 2.830 -8.825 3.847 3 H3 MET 1 3H MET 1 2.580 -10.521 3.860 4 HA MET 1 HA MET 1 1.058 -9.083 2.474 5 HB2 MET 1 1HB MET 1 -0.801 -10.621 2.959 6 HB3 MET 1 2HB MET 1 0.736 -11.471 2.929 7 HG2 MET 1 1HG MET 1 0.516 -10.855 5.569 8 HG3 MET 1 2HG MET 1 -1.170 -11.093 5.117 9 HE1 MET 1 3HE MET 1 0.763 -12.894 7.207 10 HE2 MET 1 1HE MET 1 2.109 -12.639 6.096 11 HE3 MET 1 2HE MET 1 1.531 -14.275 6.421 12 H GLU 2 H GLU 2 1.612 -7.073 4.198 13 HA GLU 2 HA GLU 2 -0.999 -6.008 4.755 14 HB2 GLU 2 1HB GLU 2 -0.315 -5.439 7.173 15 HB3 GLU 2 2HB GLU 2 -0.882 -7.069 6.838 16 HG2 GLU 2 1HG GLU 2 1.073 -7.992 7.394 17 HG3 GLU 2 2HG GLU 2 2.006 -6.753 6.560 18 H TRP 3 H TRP 3 -0.880 -3.727 5.531 19 HA TRP 3 HA TRP 3 1.658 -2.385 5.291 20 HB2 TRP 3 1HB TRP 3 0.934 -0.890 3.453 21 HB3 TRP 3 2HB TRP 3 1.096 -2.562 2.946 22 HD1 TRP 3 HD TRP 3 -2.047 -1.074 4.638 23 HE1 TRP 3 HE1 TRP 3 -4.015 -1.324 3.002 24 HE3 TRP 3 HE3 TRP 3 0.489 -2.897 0.597 25 HZ2 TRP 3 HZ2 TRP 3 -4.438 -2.181 0.344 26 HZ3 TRP 3 HZ3 TRP 3 -0.766 -3.396 -1.460 27 HH2 TRP 3 HH TRP 3 -3.181 -3.048 -1.580 28 H LYS 4 H LYS 4 1.236 0.098 5.353 29 HA LYS 4 HA LYS 4 -1.102 0.726 7.010 30 HB2 LYS 4 1HB LYS 4 1.736 1.508 7.706 31 HB3 LYS 4 2HB LYS 4 0.291 1.982 8.588 32 HG2 LYS 4 1HG LYS 4 -0.116 -0.501 8.952 33 HG3 LYS 4 2HG LYS 4 1.533 -0.741 8.379 34 HD2 LYS 4 1HD LYS 4 2.286 0.875 10.143 35 HD3 LYS 4 2HD LYS 4 0.639 0.851 10.776 36 HE2 LYS 4 1HE LYS 4 1.888 -1.784 10.339 37 HE3 LYS 4 2HE LYS 4 2.606 -0.798 11.612 38 HZ1 LYS 4 3HZ LYS 4 0.648 -0.787 12.821 39 HZ2 LYS 4 1HZ LYS 4 0.682 -2.363 12.207 40 HZ3 LYS 4 2HZ LYS 4 -0.316 -1.199 11.493 41 H LEU 5 H LEU 5 -1.686 2.980 7.001 42 HA LEU 5 HA LEU 5 -0.264 4.651 5.056 43 HB2 LEU 5 1HB LEU 5 -2.430 3.270 4.237 44 HB3 LEU 5 2HB LEU 5 -3.216 4.710 4.851 45 HG LEU 5 HG LEU 5 -2.859 4.970 2.493 46 HD11 LEU 5 1HD1 LEU 5 -0.650 6.674 3.456 47 HD12 LEU 5 2HD1 LEU 5 -2.193 6.825 4.294 48 HD13 LEU 5 3HD1 LEU 5 -2.105 7.097 2.557 49 HD21 LEU 5 3HD2 LEU 5 -1.196 3.644 1.722 50 HD22 LEU 5 1HD2 LEU 5 -0.179 3.905 3.139 51 HD23 LEU 5 2HD2 LEU 5 -0.264 5.133 1.876 52 H PHE 6 H PHE 6 -0.118 6.732 5.634 53 HA PHE 6 HA PHE 6 -1.232 7.559 8.166 54 HB2 PHE 6 1HB PHE 6 1.103 8.139 6.906 55 HB3 PHE 6 2HB PHE 6 0.159 9.561 6.486 56 HD1 PHE 6 HD1 PHE 6 0.930 7.460 9.473 57 HD2 PHE 6 HD2 PHE 6 0.258 11.363 7.912 58 HE1 PHE 6 HE1 PHE 6 1.415 8.425 11.684 59 HE2 PHE 6 HE2 PHE 6 0.744 12.334 10.120 60 HZ PHE 6 HZ PHE 6 1.322 10.863 12.010 61 H ALA 7 H ALA 7 -2.018 9.987 8.209 62 HA ALA 7 HA ALA 7 -4.492 10.046 6.812 63 HB1 ALA 7 3HB ALA 7 -4.432 12.499 7.806 64 HB2 ALA 7 1HB ALA 7 -3.117 11.813 8.759 65 HB3 ALA 7 2HB ALA 7 -4.723 11.087 8.822 66 H ASP 8 H ASP 8 -1.393 10.983 5.807 67 HA ASP 8 HA ASP 8 -1.762 13.307 4.367 68 HB2 ASP 8 1HB ASP 8 0.003 10.926 4.034 69 HB3 ASP 8 2HB ASP 8 -0.098 12.069 2.698 70 H LEU 9 H LEU 9 -2.431 9.986 3.352 71 HA LEU 9 HA LEU 9 -3.956 11.041 1.057 72 HB2 LEU 9 1HB LEU 9 -2.985 8.210 1.292 73 HB3 LEU 9 2HB LEU 9 -3.472 9.083 -0.147 74 HG LEU 9 HG LEU 9 -1.233 10.441 0.991 75 HD11 LEU 9 1HD1 LEU 9 0.431 8.566 0.635 76 HD12 LEU 9 2HD1 LEU 9 -0.935 7.459 0.768 77 HD13 LEU 9 3HD1 LEU 9 -0.513 8.508 2.123 78 HD21 LEU 9 3HD2 LEU 9 -1.974 9.083 -1.539 79 HD22 LEU 9 1HD2 LEU 9 -0.262 9.399 -1.253 80 HD23 LEU 9 2HD2 LEU 9 -1.417 10.732 -1.253 81 H ALA 10 H ALA 10 -4.011 8.793 3.771 82 HA ALA 10 HA ALA 10 -6.492 7.584 3.234 83 HB1 ALA 10 3HB ALA 10 -4.692 6.886 4.913 84 HB2 ALA 10 1HB ALA 10 -6.381 6.671 5.378 85 HB3 ALA 10 2HB ALA 10 -5.457 8.035 6.010 86 H GLU 11 H GLU 11 -5.867 10.814 4.069 87 HA GLU 11 HA GLU 11 -7.948 11.467 5.797 88 HB2 GLU 11 1HB GLU 11 -6.090 12.884 4.145 89 HB3 GLU 11 2HB GLU 11 -7.686 13.584 3.915 90 HG2 GLU 11 1HG GLU 11 -6.447 13.129 6.614 91 HG3 GLU 11 2HG GLU 11 -6.305 14.636 5.710 92 H VAL 12 H VAL 12 -7.964 11.121 2.268 93 HA VAL 12 HA VAL 12 -10.822 11.730 2.199 94 HB VAL 12 HB VAL 12 -9.146 11.011 -0.195 95 HG11 VAL 12 1HG1 VAL 12 -11.240 11.106 -1.029 96 HG12 VAL 12 2HG1 VAL 12 -10.944 12.844 -1.016 97 HG13 VAL 12 3HG1 VAL 12 -11.842 12.092 0.302 98 HG21 VAL 12 3HG2 VAL 12 -8.712 13.391 -0.533 99 HG22 VAL 12 1HG2 VAL 12 -8.011 12.837 0.987 100 HG23 VAL 12 2HG2 VAL 12 -9.510 13.763 0.994 101 H ALA 13 H ALA 13 -8.602 9.059 1.359 102 HA ALA 13 HA ALA 13 -10.624 7.288 0.469 103 HB1 ALA 13 3HB ALA 13 -8.791 5.529 1.159 104 HB2 ALA 13 1HB ALA 13 -7.785 6.971 1.299 105 HB3 ALA 13 2HB ALA 13 -8.566 6.588 -0.234 106 H GLY 14 H GLY 14 -9.028 7.616 3.639 107 HA2 GLY 14 1HA GLY 14 -10.064 7.260 5.721 108 HA3 GLY 14 2HA GLY 14 -11.380 6.430 4.904 109 H SER 15 H SER 15 -8.341 5.380 3.815 110 HA SER 15 HA SER 15 -8.469 3.036 5.595 111 HB2 SER 15 1HB SER 15 -7.362 3.056 2.783 112 HB3 SER 15 2HB SER 15 -7.736 1.654 3.785 113 HG SER 15 HG SER 15 -9.919 2.126 3.576 114 H ARG 16 H ARG 16 -6.714 2.570 6.759 115 HA ARG 16 HA ARG 16 -4.232 4.010 6.163 116 HB2 ARG 16 1HB ARG 16 -3.886 3.250 8.738 117 HB3 ARG 16 2HB ARG 16 -4.568 4.795 8.256 118 HG2 ARG 16 1HG ARG 16 -6.775 4.056 8.667 119 HG3 ARG 16 2HG ARG 16 -6.260 2.376 8.815 120 HD2 ARG 16 1HD ARG 16 -5.886 2.631 10.989 121 HD3 ARG 16 2HD ARG 16 -4.804 3.987 10.679 122 HE ARG 16 HE ARG 16 -7.588 4.684 10.546 123 HH11 ARG 16 1HH1 ARG 16 -4.852 4.273 12.692 124 HH12 ARG 16 2HH1 ARG 16 -5.473 5.357 13.891 125 HH21 ARG 16 1HH2 ARG 16 -8.400 6.110 12.130 126 HH22 ARG 16 2HH2 ARG 16 -7.487 6.398 13.572 127 H THR 17 H THR 17 -4.661 1.264 8.363 128 HA THR 17 HA THR 17 -2.643 -0.170 6.794 129 HB THR 17 HB THR 17 -1.922 -1.210 8.739 130 HG1 THR 17 HG1 THR 17 -4.502 -0.697 9.777 131 HG21 THR 17 3HG2 THR 17 -2.998 1.190 10.134 132 HG22 THR 17 1HG2 THR 17 -1.793 1.371 8.859 133 HG23 THR 17 2HG2 THR 17 -1.427 0.404 10.287 134 H VAL 18 H VAL 18 -3.024 -2.106 5.859 135 HA VAL 18 HA VAL 18 -5.406 -3.638 6.569 136 HB VAL 18 HB VAL 18 -4.922 -2.900 3.683 137 HG11 VAL 18 1HG1 VAL 18 -7.068 -4.389 5.155 138 HG12 VAL 18 2HG1 VAL 18 -6.136 -4.886 3.742 139 HG13 VAL 18 3HG1 VAL 18 -7.382 -3.648 3.586 140 HG21 VAL 18 3HG2 VAL 18 -6.851 -1.645 5.634 141 HG22 VAL 18 1HG2 VAL 18 -6.904 -1.420 3.886 142 HG23 VAL 18 2HG2 VAL 18 -5.511 -0.853 4.805 143 H ARG 19 H ARG 19 -5.370 -5.820 5.760 144 HA ARG 19 HA ARG 19 -2.663 -6.725 5.038 145 HB2 ARG 19 1HB ARG 19 -4.814 -8.499 6.170 146 HB3 ARG 19 2HB ARG 19 -3.078 -8.766 6.145 147 HG2 ARG 19 1HG ARG 19 -2.717 -7.148 7.847 148 HG3 ARG 19 2HG ARG 19 -4.383 -6.577 7.743 149 HD2 ARG 19 1HD ARG 19 -4.568 -9.324 8.236 150 HD3 ARG 19 2HD ARG 19 -3.278 -8.746 9.288 151 HE ARG 19 HE ARG 19 -4.828 -7.571 10.510 152 HH11 ARG 19 1HH1 ARG 19 -6.313 -8.682 7.540 153 HH12 ARG 19 2HH1 ARG 19 -7.916 -8.256 8.035 154 HH21 ARG 19 1HH2 ARG 19 -6.944 -7.008 11.157 155 HH22 ARG 19 2HH2 ARG 19 -8.274 -7.305 10.089 156 H VAL 20 H VAL 20 -2.434 -8.412 3.476 157 HA VAL 20 HA VAL 20 -4.600 -8.420 1.492 158 HB VAL 20 HB VAL 20 -1.742 -9.310 1.079 159 HG11 VAL 20 1HG1 VAL 20 -4.084 -8.864 -0.734 160 HG12 VAL 20 2HG1 VAL 20 -2.995 -10.248 -0.634 161 HG13 VAL 20 3HG1 VAL 20 -2.432 -8.733 -1.342 162 HG21 VAL 20 3HG2 VAL 20 -1.295 -7.113 1.396 163 HG22 VAL 20 1HG2 VAL 20 -2.952 -6.613 1.066 164 HG23 VAL 20 2HG2 VAL 20 -1.863 -6.995 -0.268 165 H ASP 21 H ASP 21 -5.841 -10.160 1.344 166 HA ASP 21 HA ASP 21 -4.702 -12.797 1.956 167 HB2 ASP 21 1HB ASP 21 -6.937 -11.433 3.264 168 HB3 ASP 21 2HB ASP 21 -7.341 -13.049 2.703 169 H VAL 22 H VAL 22 -7.399 -11.065 0.437 170 HA VAL 22 HA VAL 22 -8.031 -13.325 -1.251 171 HB VAL 22 HB VAL 22 -9.708 -11.667 -2.237 172 HG11 VAL 22 1HG1 VAL 22 -10.263 -13.449 -0.615 173 HG12 VAL 22 2HG1 VAL 22 -11.283 -12.020 -0.449 174 HG13 VAL 22 3HG1 VAL 22 -9.970 -12.305 0.694 175 HG21 VAL 22 3HG2 VAL 22 -10.176 -9.652 -1.130 176 HG22 VAL 22 1HG2 VAL 22 -8.419 -9.684 -1.270 177 HG23 VAL 22 2HG2 VAL 22 -9.187 -10.092 0.262 178 H ASP 23 H ASP 23 -7.122 -13.667 -3.170 179 HA ASP 23 HA ASP 23 -5.939 -11.373 -4.596 180 HB2 ASP 23 1HB ASP 23 -4.541 -13.283 -5.724 181 HB3 ASP 23 2HB ASP 23 -4.071 -12.663 -4.149 182 H GLY 24 H GLY 24 -6.669 -10.924 -6.574 183 HA2 GLY 24 1HA GLY 24 -7.740 -12.940 -8.326 184 HA3 GLY 24 2HA GLY 24 -8.976 -11.879 -7.669 185 H ASP 25 H ASP 25 -9.540 -10.392 -9.127 186 HA ASP 25 HA ASP 25 -8.031 -9.693 -11.379 187 HB2 ASP 25 1HB ASP 25 -10.467 -8.620 -10.054 188 HB3 ASP 25 2HB ASP 25 -9.651 -7.568 -11.204 189 H ALA 26 H ALA 26 -8.434 -7.998 -8.280 190 HA ALA 26 HA ALA 26 -6.719 -5.835 -9.028 191 HB1 ALA 26 3HB ALA 26 -7.266 -4.889 -7.033 192 HB2 ALA 26 1HB ALA 26 -7.209 -6.422 -6.163 193 HB3 ALA 26 2HB ALA 26 -8.604 -6.031 -7.169 194 H THR 27 H THR 27 -4.568 -5.844 -9.090 195 HA THR 27 HA THR 27 -3.078 -8.103 -8.104 196 HB THR 27 HB THR 27 -1.514 -5.792 -8.994 197 HG1 THR 27 HG1 THR 27 -2.850 -5.268 -10.532 198 HG21 THR 27 3HG2 THR 27 -0.345 -7.772 -9.076 199 HG22 THR 27 1HG2 THR 27 -0.853 -7.558 -10.750 200 HG23 THR 27 2HG2 THR 27 -1.718 -8.682 -9.702 201 H VAL 28 H VAL 28 -0.921 -7.624 -6.924 202 HA VAL 28 HA VAL 28 -1.593 -6.434 -4.408 203 HB VAL 28 HB VAL 28 0.805 -6.963 -3.804 204 HG11 VAL 28 1HG1 VAL 28 -1.424 -8.631 -4.069 205 HG12 VAL 28 2HG1 VAL 28 -0.017 -8.874 -3.036 206 HG13 VAL 28 3HG1 VAL 28 -0.052 -9.573 -4.654 207 HG21 VAL 28 3HG2 VAL 28 1.646 -6.879 -6.161 208 HG22 VAL 28 1HG2 VAL 28 0.842 -8.424 -6.440 209 HG23 VAL 28 2HG2 VAL 28 2.140 -8.308 -5.254 210 H GLY 29 H GLY 29 0.415 -5.576 -7.175 211 HA2 GLY 29 1HA GLY 29 1.478 -3.242 -5.886 212 HA3 GLY 29 2HA GLY 29 1.696 -3.697 -7.567 213 H ASP 30 H ASP 30 -1.157 -3.999 -8.079 214 HA ASP 30 HA ASP 30 -1.806 -1.515 -9.091 215 HB2 ASP 30 1HB ASP 30 -2.955 -3.500 -9.834 216 HB3 ASP 30 2HB ASP 30 -3.619 -3.778 -8.228 217 H ALA 31 H ALA 31 -2.831 -2.942 -5.994 218 HA ALA 31 HA ALA 31 -4.178 -0.513 -5.181 219 HB1 ALA 31 3HB ALA 31 -4.387 -1.811 -2.979 220 HB2 ALA 31 1HB ALA 31 -3.723 -3.178 -3.874 221 HB3 ALA 31 2HB ALA 31 -5.241 -2.442 -4.387 222 H LEU 32 H LEU 32 -1.039 -1.960 -4.805 223 HA LEU 32 HA LEU 32 -0.191 -0.603 -2.487 224 HB2 LEU 32 1HB LEU 32 1.060 -2.485 -3.369 225 HB3 LEU 32 2HB LEU 32 1.388 -1.613 -4.856 226 HG LEU 32 HG LEU 32 2.407 0.062 -2.894 227 HD11 LEU 32 1HD1 LEU 32 3.553 -2.596 -2.227 228 HD12 LEU 32 2HD1 LEU 32 2.043 -2.110 -1.457 229 HD13 LEU 32 3HD1 LEU 32 3.486 -1.115 -1.270 230 HD21 LEU 32 3HD2 LEU 32 4.621 -0.801 -3.725 231 HD22 LEU 32 1HD2 LEU 32 3.500 -0.255 -4.972 232 HD23 LEU 32 2HD2 LEU 32 3.717 -1.980 -4.676 233 H ASP 33 H ASP 33 0.543 0.126 -5.917 234 HA ASP 33 HA ASP 33 1.702 2.623 -5.471 235 HB2 ASP 33 1HB ASP 33 1.655 2.925 -7.790 236 HB3 ASP 33 2HB ASP 33 1.700 1.179 -7.600 237 H ALA 34 H ALA 34 -1.682 1.723 -5.903 238 HA ALA 34 HA ALA 34 -2.731 4.323 -6.215 239 HB1 ALA 34 3HB ALA 34 -4.780 3.357 -6.147 240 HB2 ALA 34 1HB ALA 34 -4.380 2.344 -4.759 241 HB3 ALA 34 2HB ALA 34 -3.833 1.886 -6.372 242 H LEU 35 H LEU 35 -2.429 2.270 -3.322 243 HA LEU 35 HA LEU 35 -3.320 4.273 -1.517 244 HB2 LEU 35 1HB LEU 35 -2.130 1.572 -1.315 245 HB3 LEU 35 2HB LEU 35 -1.902 2.618 0.072 246 HG LEU 35 HG LEU 35 -4.244 2.796 0.451 247 HD11 LEU 35 1HD1 LEU 35 -5.923 1.837 -1.027 248 HD12 LEU 35 2HD1 LEU 35 -4.663 1.313 -2.143 249 HD13 LEU 35 3HD1 LEU 35 -4.952 3.034 -1.885 250 HD21 LEU 35 3HD2 LEU 35 -2.903 0.472 0.729 251 HD22 LEU 35 1HD2 LEU 35 -4.251 -0.056 -0.278 252 HD23 LEU 35 2HD2 LEU 35 -4.560 0.724 1.274 253 H VAL 36 H VAL 36 -0.170 3.346 -2.778 254 HA VAL 36 HA VAL 36 1.496 4.630 -0.950 255 HB VAL 36 HB VAL 36 1.848 4.180 -3.918 256 HG11 VAL 36 1HG1 VAL 36 3.569 5.664 -2.007 257 HG12 VAL 36 2HG1 VAL 36 3.326 5.905 -3.736 258 HG13 VAL 36 3HG1 VAL 36 4.360 4.594 -3.164 259 HG21 VAL 36 3HG2 VAL 36 2.724 2.196 -3.372 260 HG22 VAL 36 1HG2 VAL 36 1.971 2.437 -1.797 261 HG23 VAL 36 2HG2 VAL 36 3.661 2.874 -2.042 262 H GLY 37 H GLY 37 0.086 5.947 -3.955 263 HA2 GLY 37 1HA GLY 37 -0.628 8.420 -3.051 264 HA3 GLY 37 2HA GLY 37 1.079 8.591 -3.415 265 H ALA 38 H ALA 38 -1.557 6.856 -5.052 266 HA ALA 38 HA ALA 38 -0.648 7.853 -7.612 267 HB1 ALA 38 3HB ALA 38 -1.446 5.535 -7.367 268 HB2 ALA 38 1HB ALA 38 -2.365 6.435 -8.574 269 HB3 ALA 38 2HB ALA 38 -3.054 6.145 -6.978 270 H HIS 39 H HIS 39 -3.813 7.898 -5.951 271 HA HIS 39 HA HIS 39 -4.338 10.579 -5.981 272 HB2 HIS 39 1HB HIS 39 -4.671 9.409 -8.635 273 HB3 HIS 39 2HB HIS 39 -6.101 10.253 -8.070 274 HD1 HIS 39 HD1 HIS 39 -4.543 12.549 -6.544 275 HD2 HIS 39 HD2 HIS 39 -3.854 11.315 -10.454 276 HE1 HIS 39 HE1 HIS 39 -3.467 14.513 -7.691 277 HE2 HIS 39 HE2 HIS 39 -3.087 13.753 -10.062 278 HA PRO 40 HA PRO 40 -8.660 8.170 -5.964 279 HB2 PRO 40 1HB PRO 40 -7.476 5.451 -5.810 280 HB3 PRO 40 2HB PRO 40 -8.982 5.976 -6.568 281 HG2 PRO 40 1HG PRO 40 -6.840 5.394 -8.046 282 HG3 PRO 40 2HG PRO 40 -7.910 6.742 -8.474 283 HD2 PRO 40 1HD PRO 40 -5.197 6.790 -7.248 284 HD3 PRO 40 2HD PRO 40 -5.956 7.944 -8.363 285 H ALA 41 H ALA 41 -5.674 7.110 -4.419 286 HA ALA 41 HA ALA 41 -6.760 6.161 -2.001 287 HB1 ALA 41 3HB ALA 41 -4.072 7.151 -2.838 288 HB2 ALA 41 1HB ALA 41 -4.553 5.555 -2.259 289 HB3 ALA 41 2HB ALA 41 -4.406 6.896 -1.125 290 H LEU 42 H LEU 42 -6.218 9.372 -3.231 291 HA LEU 42 HA LEU 42 -7.415 10.446 -0.776 292 HB2 LEU 42 1HB LEU 42 -5.834 12.296 -0.701 293 HB3 LEU 42 2HB LEU 42 -5.023 10.756 -0.500 294 HG LEU 42 HG LEU 42 -5.109 12.207 -3.143 295 HD11 LEU 42 1HD1 LEU 42 -3.868 13.761 -2.082 296 HD12 LEU 42 2HD1 LEU 42 -2.585 12.571 -2.293 297 HD13 LEU 42 3HD1 LEU 42 -3.444 12.677 -0.757 298 HD21 LEU 42 3HD2 LEU 42 -3.889 9.732 -2.113 299 HD22 LEU 42 1HD2 LEU 42 -2.836 10.743 -3.103 300 HD23 LEU 42 2HD2 LEU 42 -4.370 10.164 -3.752 301 H GLU 43 H GLU 43 -8.352 9.901 -3.535 302 HA GLU 43 HA GLU 43 -9.723 10.847 -5.071 303 HB2 GLU 43 1HB GLU 43 -10.192 12.277 -2.740 304 HB3 GLU 43 2HB GLU 43 -9.919 13.526 -3.945 305 HG2 GLU 43 1HG GLU 43 -11.707 12.760 -5.283 306 HG3 GLU 43 2HG GLU 43 -11.841 11.259 -4.368 307 H SER 44 H SER 44 -9.870 12.638 -6.708 308 HA SER 44 HA SER 44 -7.282 13.141 -7.773 309 HB2 SER 44 1HB SER 44 -8.481 14.351 -9.561 310 HB3 SER 44 2HB SER 44 -9.215 12.780 -9.235 311 HG SER 44 HG SER 44 -10.939 13.738 -8.366 312 H ARG 45 H ARG 45 -9.716 15.157 -6.174 313 HA ARG 45 HA ARG 45 -7.685 17.008 -5.324 314 HB2 ARG 45 1HB ARG 45 -8.939 18.996 -6.280 315 HB3 ARG 45 2HB ARG 45 -8.027 18.030 -7.431 316 HG2 ARG 45 1HG ARG 45 -10.439 16.823 -7.586 317 HG3 ARG 45 2HG ARG 45 -10.925 18.479 -7.208 318 HD2 ARG 45 1HD ARG 45 -8.898 18.663 -9.154 319 HD3 ARG 45 2HD ARG 45 -9.983 17.379 -9.686 320 HE ARG 45 HE ARG 45 -10.550 20.194 -9.560 321 HH11 ARG 45 1HH1 ARG 45 -11.959 16.988 -9.564 322 HH12 ARG 45 2HH1 ARG 45 -13.497 17.529 -10.148 323 HH21 ARG 45 1HH2 ARG 45 -12.583 20.903 -10.325 324 HH22 ARG 45 2HH2 ARG 45 -13.850 19.752 -10.581 325 H VAL 46 H VAL 46 -8.185 17.745 -3.352 326 HA VAL 46 HA VAL 46 -10.803 17.125 -2.261 327 HB VAL 46 HB VAL 46 -8.469 18.396 -0.823 328 HG11 VAL 46 1HG1 VAL 46 -10.504 18.669 0.395 329 HG12 VAL 46 2HG1 VAL 46 -9.595 17.370 1.167 330 HG13 VAL 46 3HG1 VAL 46 -10.962 16.988 0.120 331 HG21 VAL 46 3HG2 VAL 46 -8.096 16.032 0.027 332 HG22 VAL 46 1HG2 VAL 46 -7.619 16.349 -1.640 333 HG23 VAL 46 2HG2 VAL 46 -9.125 15.498 -1.302 334 H PHE 47 H PHE 47 -8.841 19.970 -2.998 335 HA PHE 47 HA PHE 47 -11.225 21.613 -3.018 336 HB2 PHE 47 1HB PHE 47 -10.121 23.349 -1.525 337 HB3 PHE 47 2HB PHE 47 -10.716 21.903 -0.715 338 HD1 PHE 47 HD2 PHE 47 -9.124 20.171 0.048 339 HD2 PHE 47 HD1 PHE 47 -7.808 23.897 -1.537 340 HE1 PHE 47 HE2 PHE 47 -6.897 19.793 1.019 341 HE2 PHE 47 HE1 PHE 47 -5.578 23.524 -0.568 342 HZ PHE 47 HZ PHE 47 -5.120 21.471 0.713 343 H GLY 48 H GLY 48 -9.373 20.749 -5.038 344 HA2 GLY 48 1HA GLY 48 -8.551 21.769 -6.957 345 HA3 GLY 48 2HA GLY 48 -8.731 23.329 -6.167 346 H ASP 49 H ASP 49 -6.600 20.720 -6.896 347 HA ASP 49 HA ASP 49 -4.504 21.252 -5.112 348 HB2 ASP 49 1HB ASP 49 -3.060 20.106 -6.844 349 HB3 ASP 49 2HB ASP 49 -4.459 19.187 -6.299 350 H ASP 50 H ASP 50 -2.678 22.498 -5.214 351 HA ASP 50 HA ASP 50 -2.872 24.966 -6.618 352 HB2 ASP 50 1HB ASP 50 -0.860 23.714 -4.790 353 HB3 ASP 50 2HB ASP 50 -0.415 25.155 -5.699 354 H GLY 51 H GLY 51 -1.210 21.949 -7.251 355 HA2 GLY 51 1HA GLY 51 -0.614 21.395 -9.517 356 HA3 GLY 51 2HA GLY 51 -0.250 23.092 -9.792 357 H GLU 52 H GLU 52 0.776 20.472 -7.589 358 HA GLU 52 HA GLU 52 3.565 21.267 -8.114 359 HB2 GLU 52 1HB GLU 52 2.764 21.873 -5.813 360 HB3 GLU 52 2HB GLU 52 2.512 20.162 -5.505 361 HG2 GLU 52 1HG GLU 52 4.602 20.875 -4.547 362 HG3 GLU 52 2HG GLU 52 4.900 19.750 -5.870 363 H LEU 53 H LEU 53 4.637 19.721 -9.156 364 HA LEU 53 HA LEU 53 3.654 16.976 -9.085 365 HB2 LEU 53 1HB LEU 53 4.488 18.419 -11.164 366 HB3 LEU 53 2HB LEU 53 6.040 17.758 -10.690 367 HG LEU 53 HG LEU 53 3.915 15.745 -10.883 368 HD11 LEU 53 1HD1 LEU 53 4.382 15.851 -13.500 369 HD12 LEU 53 2HD1 LEU 53 4.484 17.576 -13.142 370 HD13 LEU 53 3HD1 LEU 53 3.017 16.677 -12.747 371 HD21 LEU 53 3HD2 LEU 53 6.601 15.693 -10.759 372 HD22 LEU 53 1HD2 LEU 53 6.374 15.610 -12.506 373 HD23 LEU 53 2HD2 LEU 53 5.632 14.400 -11.461 374 H TYR 54 H TYR 54 4.303 16.620 -6.857 375 HA TYR 54 HA TYR 54 7.039 15.633 -6.700 376 HB2 TYR 54 1HB TYR 54 6.090 18.020 -5.315 377 HB3 TYR 54 2HB TYR 54 6.723 16.809 -4.205 378 HD1 TYR 54 HD2 TYR 54 8.986 15.643 -5.412 379 HD2 TYR 54 HD1 TYR 54 7.632 19.662 -5.761 380 HE1 TYR 54 HE2 TYR 54 11.278 16.364 -5.929 381 HE2 TYR 54 HE1 TYR 54 9.920 20.393 -6.278 382 HH TYR 54 HH TYR 54 12.057 19.165 -7.322 383 H ASP 55 H ASP 55 7.191 13.771 -5.572 384 HA ASP 55 HA ASP 55 5.069 13.057 -3.683 385 HB2 ASP 55 1HB ASP 55 5.351 11.928 -6.302 386 HB3 ASP 55 2HB ASP 55 5.724 10.687 -5.111 387 H HIS 56 H HIS 56 5.986 12.480 -1.828 388 HA HIS 56 HA HIS 56 8.388 10.817 -1.860 389 HB2 HIS 56 1HB HIS 56 9.419 12.254 -0.071 390 HB3 HIS 56 2HB HIS 56 9.350 12.999 -1.664 391 HD1 HIS 56 HD1 HIS 56 7.173 14.681 -1.960 392 HD2 HIS 56 HD2 HIS 56 8.454 13.831 1.901 393 HE1 HIS 56 HE1 HIS 56 6.204 16.495 -0.516 394 HE2 HIS 56 HE2 HIS 56 7.033 15.988 1.809 395 H ILE 57 H ILE 57 8.377 9.264 -0.330 396 HA ILE 57 HA ILE 57 7.100 9.506 2.194 397 HB ILE 57 HB ILE 57 5.071 9.271 0.838 398 HG12 ILE 57 1HG1 ILE 57 5.600 6.712 2.361 399 HG13 ILE 57 2HG1 ILE 57 5.251 8.255 3.133 400 HG21 ILE 57 1HG2 ILE 57 5.636 6.473 0.095 401 HG22 ILE 57 2HG2 ILE 57 6.499 7.711 -0.817 402 HG23 ILE 57 3HG2 ILE 57 4.736 7.721 -0.765 403 HD11 ILE 57 3HD1 ILE 57 3.217 7.110 3.098 404 HD12 ILE 57 1HD1 ILE 57 3.451 6.570 1.437 405 HD13 ILE 57 2HD1 ILE 57 3.107 8.267 1.772 406 H ASN 58 H ASN 58 7.590 7.777 3.572 407 HA ASN 58 HA ASN 58 9.618 5.953 2.518 408 HB2 ASN 58 1HB ASN 58 9.409 7.437 4.912 409 HB3 ASN 58 2HB ASN 58 9.266 5.743 5.371 410 HD21 ASN 58 2HD2 ASN 58 11.326 8.196 4.062 411 HD22 ASN 58 1HD2 ASN 58 12.788 7.276 4.094 412 H VAL 59 H VAL 59 9.602 3.697 3.120 413 HA VAL 59 HA VAL 59 7.012 2.632 3.979 414 HB VAL 59 HB VAL 59 6.953 2.657 1.523 415 HG11 VAL 59 1HG1 VAL 59 9.291 0.759 1.594 416 HG12 VAL 59 2HG1 VAL 59 9.426 2.476 1.217 417 HG13 VAL 59 3HG1 VAL 59 8.480 1.417 0.173 418 HG21 VAL 59 3HG2 VAL 59 7.288 -0.192 2.429 419 HG22 VAL 59 1HG2 VAL 59 6.183 0.451 1.213 420 HG23 VAL 59 2HG2 VAL 59 5.919 0.806 2.920 421 H LEU 60 H LEU 60 7.083 0.556 4.890 422 HA LEU 60 HA LEU 60 9.781 -0.388 5.590 423 HB2 LEU 60 1HB LEU 60 7.945 0.484 7.333 424 HB3 LEU 60 2HB LEU 60 7.432 -1.187 7.218 425 HG LEU 60 HG LEU 60 8.938 -0.812 9.119 426 HD11 LEU 60 1HD1 LEU 60 10.565 -2.440 7.237 427 HD12 LEU 60 2HD1 LEU 60 8.905 -2.941 7.565 428 HD13 LEU 60 3HD1 LEU 60 10.057 -2.787 8.890 429 HD21 LEU 60 3HD2 LEU 60 11.301 -0.474 7.380 430 HD22 LEU 60 1HD2 LEU 60 10.973 0.161 8.991 431 HD23 LEU 60 2HD2 LEU 60 10.259 0.935 7.577 432 H ARG 61 H ARG 61 10.365 -2.294 4.811 433 HA ARG 61 HA ARG 61 8.267 -4.166 3.935 434 HB2 ARG 61 1HB ARG 61 9.963 -3.065 2.266 435 HB3 ARG 61 2HB ARG 61 11.074 -4.270 2.898 436 HG2 ARG 61 1HG ARG 61 10.266 -5.540 1.244 437 HG3 ARG 61 2HG ARG 61 8.920 -5.812 2.348 438 HD2 ARG 61 1HD ARG 61 8.221 -5.183 0.045 439 HD3 ARG 61 2HD ARG 61 7.624 -4.094 1.294 440 HE ARG 61 HE ARG 61 8.794 -2.404 0.311 441 HH11 ARG 61 1HH1 ARG 61 10.148 -5.444 -0.785 442 HH12 ARG 61 2HH1 ARG 61 11.214 -4.699 -1.927 443 HH21 ARG 61 1HH2 ARG 61 10.201 -1.428 -1.203 444 HH22 ARG 61 2HH2 ARG 61 11.243 -2.421 -2.166 445 H ASN 62 H ASN 62 8.447 -6.338 4.460 446 HA ASN 62 HA ASN 62 9.897 -6.934 6.855 447 HB2 ASN 62 1HB ASN 62 8.196 -8.642 5.033 448 HB3 ASN 62 2HB ASN 62 8.943 -9.250 6.509 449 HD21 ASN 62 2HD2 ASN 62 6.546 -7.094 5.184 450 HD22 ASN 62 1HD2 ASN 62 5.670 -6.850 6.652 451 H GLY 63 H GLY 63 10.665 -7.138 3.531 452 HA2 GLY 63 1HA GLY 63 12.995 -7.529 2.971 453 HA3 GLY 63 2HA GLY 63 13.015 -8.795 4.189 454 H GLU 64 H GLU 64 10.257 -8.533 2.092 455 HA GLU 64 HA GLU 64 11.112 -10.987 0.719 456 HB2 GLU 64 1HB GLU 64 8.833 -10.538 2.172 457 HB3 GLU 64 2HB GLU 64 8.280 -10.216 0.534 458 HG2 GLU 64 1HG GLU 64 8.059 -12.385 0.203 459 HG3 GLU 64 2HG GLU 64 9.795 -12.586 0.424 460 H ALA 65 H ALA 65 10.191 -11.242 -1.516 461 HA ALA 65 HA ALA 65 11.101 -9.230 -3.209 462 HB1 ALA 65 3HB ALA 65 9.497 -11.698 -3.555 463 HB2 ALA 65 1HB ALA 65 10.990 -11.194 -4.347 464 HB3 ALA 65 2HB ALA 65 9.446 -10.518 -4.865 465 H ALA 66 H ALA 66 10.279 -7.341 -3.815 466 HA ALA 66 HA ALA 66 7.782 -6.407 -2.851 467 HB1 ALA 66 3HB ALA 66 8.419 -4.585 -4.751 468 HB2 ALA 66 1HB ALA 66 9.997 -5.306 -4.439 469 HB3 ALA 66 2HB ALA 66 9.077 -4.589 -3.116 470 H ALA 67 H ALA 67 6.206 -7.837 -3.620 471 HA ALA 67 HA ALA 67 5.829 -8.414 -6.377 472 HB1 ALA 67 3HB ALA 67 3.764 -9.446 -5.708 473 HB2 ALA 67 1HB ALA 67 3.802 -8.610 -4.155 474 HB3 ALA 67 2HB ALA 67 5.010 -9.841 -4.524 475 H LEU 68 H LEU 68 4.423 -7.542 -7.871 476 HA LEU 68 HA LEU 68 2.811 -5.234 -7.090 477 HB2 LEU 68 1HB LEU 68 5.283 -4.935 -8.310 478 HB3 LEU 68 2HB LEU 68 4.143 -4.781 -9.630 479 HG LEU 68 HG LEU 68 3.517 -3.201 -7.214 480 HD11 LEU 68 1HD1 LEU 68 6.030 -2.866 -8.768 481 HD12 LEU 68 2HD1 LEU 68 5.714 -2.593 -7.054 482 HD13 LEU 68 3HD1 LEU 68 5.151 -1.425 -8.251 483 HD21 LEU 68 3HD2 LEU 68 2.785 -1.597 -8.820 484 HD22 LEU 68 1HD2 LEU 68 2.225 -3.178 -9.360 485 HD23 LEU 68 2HD2 LEU 68 3.628 -2.433 -10.124 486 H GLY 69 H GLY 69 3.816 -7.058 -10.003 487 HA2 GLY 69 1HA GLY 69 1.063 -6.927 -10.989 488 HA3 GLY 69 2HA GLY 69 2.469 -7.441 -11.905 489 H GLU 70 H GLU 70 1.542 -8.617 -8.701 490 HA GLU 70 HA GLU 70 0.486 -11.084 -9.789 491 HB2 GLU 70 1HB GLU 70 2.135 -12.423 -8.358 492 HB3 GLU 70 2HB GLU 70 2.739 -11.751 -9.866 493 HG2 GLU 70 1HG GLU 70 3.490 -9.761 -8.378 494 HG3 GLU 70 2HG GLU 70 3.309 -10.910 -7.058 495 H ALA 71 H ALA 71 -1.419 -10.579 -8.683 496 HA ALA 71 HA ALA 71 -1.622 -9.813 -5.999 497 HB1 ALA 71 3HB ALA 71 -3.788 -11.526 -7.010 498 HB2 ALA 71 1HB ALA 71 -3.396 -10.131 -8.015 499 HB3 ALA 71 2HB ALA 71 -3.848 -9.901 -6.326 500 H THR 72 H THR 72 -0.983 -12.928 -7.406 501 HA THR 72 HA THR 72 -1.635 -14.379 -4.977 502 HB THR 72 HB THR 72 -0.527 -16.277 -6.469 503 HG1 THR 72 HG1 THR 72 0.198 -14.958 -8.123 504 HG21 THR 72 3HG2 THR 72 -2.603 -16.992 -6.725 505 HG22 THR 72 1HG2 THR 72 -3.005 -15.643 -7.788 506 HG23 THR 72 2HG2 THR 72 -3.143 -15.460 -6.039 507 H ALA 73 H ALA 73 0.475 -12.391 -4.802 508 HA ALA 73 HA ALA 73 2.974 -13.850 -4.701 509 HB1 ALA 73 3HB ALA 73 2.139 -11.031 -4.440 510 HB2 ALA 73 1HB ALA 73 3.507 -11.737 -5.298 511 HB3 ALA 73 2HB ALA 73 3.584 -11.507 -3.552 512 H ALA 74 H ALA 74 4.352 -13.519 -2.665 513 HA ALA 74 HA ALA 74 2.707 -14.081 -0.284 514 HB1 ALA 74 3HB ALA 74 4.058 -16.008 -1.315 515 HB2 ALA 74 1HB ALA 74 4.194 -15.737 0.422 516 HB3 ALA 74 2HB ALA 74 5.473 -15.184 -0.660 517 H GLY 75 H GLY 75 2.724 -12.008 0.549 518 HA2 GLY 75 1HA GLY 75 3.680 -10.632 2.214 519 HA3 GLY 75 2HA GLY 75 5.272 -11.191 1.734 520 H ASP 76 H ASP 76 3.400 -8.547 1.826 521 HA ASP 76 HA ASP 76 4.442 -7.428 -0.682 522 HB2 ASP 76 1HB ASP 76 1.920 -7.381 -0.104 523 HB3 ASP 76 2HB ASP 76 2.354 -6.103 1.027 524 H GLU 77 H GLU 77 3.677 -6.197 2.570 525 HA GLU 77 HA GLU 77 6.350 -5.263 3.024 526 HB2 GLU 77 1HB GLU 77 5.908 -2.887 3.016 527 HB3 GLU 77 2HB GLU 77 5.465 -3.544 1.446 528 HG2 GLU 77 1HG GLU 77 3.142 -3.460 1.989 529 HG3 GLU 77 2HG GLU 77 3.497 -3.026 3.660 530 H LEU 78 H LEU 78 5.655 -3.189 4.888 531 HA LEU 78 HA LEU 78 4.117 -4.714 6.890 532 HB2 LEU 78 1HB LEU 78 6.623 -4.642 7.242 533 HB3 LEU 78 2HB LEU 78 6.455 -2.915 7.495 534 HG LEU 78 HG LEU 78 5.099 -3.280 9.463 535 HD11 LEU 78 1HD1 LEU 78 4.919 -5.709 10.287 536 HD12 LEU 78 2HD1 LEU 78 5.202 -6.146 8.603 537 HD13 LEU 78 3HD1 LEU 78 3.804 -5.164 9.035 538 HD21 LEU 78 3HD2 LEU 78 7.757 -4.556 9.207 539 HD22 LEU 78 1HD2 LEU 78 6.847 -4.891 10.681 540 HD23 LEU 78 2HD2 LEU 78 7.229 -3.226 10.239 541 H ALA 79 H ALA 79 5.341 -1.442 6.126 542 HA ALA 79 HA ALA 79 2.710 -0.324 6.636 543 HB1 ALA 79 3HB ALA 79 3.499 -0.211 8.858 544 HB2 ALA 79 1HB ALA 79 3.732 1.409 8.201 545 HB3 ALA 79 2HB ALA 79 5.103 0.311 8.347 546 H LEU 80 H LEU 80 2.483 1.854 5.839 547 HA LEU 80 HA LEU 80 4.728 2.846 4.215 548 HB2 LEU 80 1HB LEU 80 2.448 1.640 3.167 549 HB3 LEU 80 2HB LEU 80 2.130 3.355 2.999 550 HG LEU 80 HG LEU 80 4.721 2.183 2.034 551 HD11 LEU 80 1HD1 LEU 80 2.727 0.931 1.095 552 HD12 LEU 80 2HD1 LEU 80 3.810 1.681 -0.077 553 HD13 LEU 80 3HD1 LEU 80 2.271 2.445 0.315 554 HD21 LEU 80 3HD2 LEU 80 4.893 4.114 0.749 555 HD22 LEU 80 1HD2 LEU 80 4.209 4.696 2.268 556 HD23 LEU 80 2HD2 LEU 80 3.168 4.462 0.864 557 H PHE 81 H PHE 81 5.228 4.638 5.388 558 HA PHE 81 HA PHE 81 3.210 6.741 5.489 559 HB2 PHE 81 1HB PHE 81 3.830 7.260 7.884 560 HB3 PHE 81 2HB PHE 81 2.879 5.799 7.653 561 HD1 PHE 81 HD2 PHE 81 6.236 7.107 8.418 562 HD2 PHE 81 HD1 PHE 81 3.750 3.657 8.220 563 HE1 PHE 81 HE2 PHE 81 7.931 5.821 9.650 564 HE2 PHE 81 HE1 PHE 81 5.441 2.365 9.456 565 HZ PHE 81 HZ PHE 81 7.535 3.446 10.170 566 HA PRO 82 HA PRO 82 6.547 9.346 4.233 567 HB2 PRO 82 1HB PRO 82 5.327 11.415 5.979 568 HB3 PRO 82 2HB PRO 82 5.691 11.474 4.249 569 HG2 PRO 82 1HG PRO 82 3.181 11.221 5.107 570 HG3 PRO 82 2HG PRO 82 3.747 10.351 3.669 571 HD2 PRO 82 1HD PRO 82 3.300 9.335 6.448 572 HD3 PRO 82 2HD PRO 82 2.953 8.553 4.893 573 HA PRO 83 HA PRO 83 9.407 9.275 7.639 574 HB2 PRO 83 1HB PRO 83 11.426 10.715 6.594 575 HB3 PRO 83 2HB PRO 83 11.017 9.107 5.987 576 HG2 PRO 83 1HG PRO 83 10.321 11.792 4.861 577 HG3 PRO 83 2HG PRO 83 10.861 10.331 4.015 578 HD2 PRO 83 1HD PRO 83 8.243 11.119 4.172 579 HD3 PRO 83 2HD PRO 83 8.754 9.433 3.970 580 H VAL 84 H VAL 84 7.478 10.865 8.455 581 HA VAL 84 HA VAL 84 8.829 13.334 9.320 582 HB VAL 84 HB VAL 84 7.093 13.873 7.657 583 HG11 VAL 84 1HG1 VAL 84 5.663 11.833 8.497 584 HG12 VAL 84 2HG1 VAL 84 4.891 13.250 7.789 585 HG13 VAL 84 3HG1 VAL 84 4.936 13.054 9.541 586 HG21 VAL 84 3HG2 VAL 84 6.549 14.736 10.491 587 HG22 VAL 84 1HG2 VAL 84 5.790 15.477 9.082 588 HG23 VAL 84 2HG2 VAL 84 7.541 15.553 9.281 589 H SER 85 H SER 85 8.752 13.787 11.455 590 HA SER 85 HA SER 85 6.762 12.835 13.238 591 HB2 SER 85 1HB SER 85 9.120 11.134 12.813 592 HB3 SER 85 2HB SER 85 8.831 11.536 14.505 593 HG SER 85 HG SER 85 7.430 9.971 14.382 594 H GLY 86 H GLY 86 10.272 13.536 13.269 595 HA2 GLY 86 1HA GLY 86 9.938 15.202 15.629 596 HA3 GLY 86 2HA GLY 86 11.458 14.785 14.853 597 H GLY 87 H GLY 87 9.617 17.318 15.592 598 HA2 GLY 87 1HA GLY 87 10.592 18.856 13.277 599 HA3 GLY 87 2HA GLY 87 8.929 19.039 13.809 Start of MODEL 8 1 H1 MET 1 1H MET 1 1.290 -7.937 0.891 2 H2 MET 1 2H MET 1 2.134 -9.428 0.827 3 H3 MET 1 3H MET 1 2.804 -8.098 1.676 4 HA MET 1 HA MET 1 0.409 -9.660 2.354 5 HB2 MET 1 1HB MET 1 3.122 -10.004 2.920 6 HB3 MET 1 2HB MET 1 2.459 -9.283 4.379 7 HG2 MET 1 1HG MET 1 0.597 -11.162 3.891 8 HG3 MET 1 2HG MET 1 2.020 -11.946 3.208 9 HE1 MET 1 3HE MET 1 1.129 -10.982 7.572 10 HE2 MET 1 1HE MET 1 0.203 -10.524 6.142 11 HE3 MET 1 2HE MET 1 1.640 -9.607 6.594 12 H GLU 2 H GLU 2 2.460 -6.875 3.308 13 HA GLU 2 HA GLU 2 0.050 -5.643 4.437 14 HB2 GLU 2 1HB GLU 2 1.383 -4.798 6.354 15 HB3 GLU 2 2HB GLU 2 1.202 -6.545 6.344 16 HG2 GLU 2 1HG GLU 2 3.460 -6.747 5.384 17 HG3 GLU 2 2HG GLU 2 3.638 -4.997 5.488 18 H TRP 3 H TRP 3 0.070 -3.362 4.560 19 HA TRP 3 HA TRP 3 2.224 -1.864 3.377 20 HB2 TRP 3 1HB TRP 3 0.583 -2.847 1.531 21 HB3 TRP 3 2HB TRP 3 -0.417 -1.487 2.026 22 HD1 TRP 3 HD TRP 3 3.215 -0.663 2.223 23 HE1 TRP 3 HE1 TRP 3 3.895 0.804 0.227 24 HE3 TRP 3 HE3 TRP 3 -0.985 -1.189 -0.649 25 HZ2 TRP 3 HZ2 TRP 3 2.804 1.637 -2.235 26 HZ3 TRP 3 HZ3 TRP 3 -1.084 -0.020 -2.812 27 HH2 TRP 3 HH TRP 3 0.773 1.364 -3.586 28 H LYS 4 H LYS 4 2.056 0.368 3.800 29 HA LYS 4 HA LYS 4 -0.285 1.259 5.329 30 HB2 LYS 4 1HB LYS 4 2.512 1.047 6.288 31 HB3 LYS 4 2HB LYS 4 1.664 2.528 6.700 32 HG2 LYS 4 1HG LYS 4 0.179 1.464 8.072 33 HG3 LYS 4 2HG LYS 4 0.308 -0.069 7.207 34 HD2 LYS 4 1HD LYS 4 1.899 -0.792 8.589 35 HD3 LYS 4 2HD LYS 4 2.847 0.676 8.356 36 HE2 LYS 4 1HE LYS 4 2.354 0.542 10.673 37 HE3 LYS 4 2HE LYS 4 1.319 1.801 10.004 38 HZ1 LYS 4 3HZ LYS 4 -0.553 0.519 10.248 39 HZ2 LYS 4 1HZ LYS 4 0.340 0.014 11.593 40 HZ3 LYS 4 2HZ LYS 4 0.287 -0.948 10.203 41 H LEU 5 H LEU 5 -0.718 3.483 5.177 42 HA LEU 5 HA LEU 5 1.082 5.038 3.450 43 HB2 LEU 5 1HB LEU 5 -0.983 3.964 2.276 44 HB3 LEU 5 2HB LEU 5 -1.883 5.236 3.077 45 HG LEU 5 HG LEU 5 0.486 6.157 1.589 46 HD11 LEU 5 1HD1 LEU 5 -1.833 5.550 -0.142 47 HD12 LEU 5 2HD1 LEU 5 -0.787 4.198 0.295 48 HD13 LEU 5 3HD1 LEU 5 -0.112 5.607 -0.522 49 HD21 LEU 5 3HD2 LEU 5 -1.770 7.490 0.725 50 HD22 LEU 5 1HD2 LEU 5 -0.686 8.006 2.015 51 HD23 LEU 5 2HD2 LEU 5 -2.143 7.092 2.401 52 H PHE 6 H PHE 6 0.551 7.394 3.476 53 HA PHE 6 HA PHE 6 0.170 8.249 6.205 54 HB2 PHE 6 1HB PHE 6 1.636 9.205 4.055 55 HB3 PHE 6 2HB PHE 6 0.317 10.363 4.175 56 HD1 PHE 6 HD2 PHE 6 3.000 8.731 6.157 57 HD2 PHE 6 HD1 PHE 6 0.373 12.059 5.775 58 HE1 PHE 6 HE2 PHE 6 4.174 9.865 7.997 59 HE2 PHE 6 HE1 PHE 6 1.545 13.198 7.612 60 HZ PHE 6 HZ PHE 6 3.448 12.102 8.728 61 H ALA 7 H ALA 7 -1.147 10.525 6.274 62 HA ALA 7 HA ALA 7 -3.876 9.787 5.976 63 HB1 ALA 7 3HB ALA 7 -4.306 12.159 6.705 64 HB2 ALA 7 1HB ALA 7 -2.557 12.375 6.748 65 HB3 ALA 7 2HB ALA 7 -3.325 11.185 7.800 66 H ASP 8 H ASP 8 -1.704 10.998 3.701 67 HA ASP 8 HA ASP 8 -3.110 12.868 2.237 68 HB2 ASP 8 1HB ASP 8 -0.730 11.674 1.912 69 HB3 ASP 8 2HB ASP 8 -1.645 10.797 0.691 70 H LEU 9 H LEU 9 -3.405 9.350 2.167 71 HA LEU 9 HA LEU 9 -5.590 9.571 0.228 72 HB2 LEU 9 1HB LEU 9 -3.695 7.443 0.998 73 HB3 LEU 9 2HB LEU 9 -5.316 6.917 0.586 74 HG LEU 9 HG LEU 9 -4.991 8.340 -1.558 75 HD11 LEU 9 1HD1 LEU 9 -2.916 9.008 -2.178 76 HD12 LEU 9 2HD1 LEU 9 -2.107 7.724 -1.282 77 HD13 LEU 9 3HD1 LEU 9 -2.716 9.144 -0.432 78 HD21 LEU 9 3HD2 LEU 9 -4.897 5.729 -1.102 79 HD22 LEU 9 1HD2 LEU 9 -3.219 5.963 -1.590 80 HD23 LEU 9 2HD2 LEU 9 -4.527 6.420 -2.680 81 H ALA 10 H ALA 10 -4.914 8.585 3.536 82 HA ALA 10 HA ALA 10 -7.451 7.379 4.010 83 HB1 ALA 10 3HB ALA 10 -6.667 7.967 6.489 84 HB2 ALA 10 1HB ALA 10 -5.120 8.135 5.661 85 HB3 ALA 10 2HB ALA 10 -6.008 6.614 5.569 86 H GLU 11 H GLU 11 -6.642 10.604 3.547 87 HA GLU 11 HA GLU 11 -8.460 11.748 5.456 88 HB2 GLU 11 1HB GLU 11 -6.416 12.922 4.632 89 HB3 GLU 11 2HB GLU 11 -7.176 13.056 3.052 90 HG2 GLU 11 1HG GLU 11 -8.325 14.850 3.667 91 HG3 GLU 11 2HG GLU 11 -8.912 14.057 5.126 92 H VAL 12 H VAL 12 -8.608 10.704 2.106 93 HA VAL 12 HA VAL 12 -11.245 11.932 1.801 94 HB VAL 12 HB VAL 12 -9.779 10.402 -0.328 95 HG11 VAL 12 1HG1 VAL 12 -12.139 10.839 -0.738 96 HG12 VAL 12 2HG1 VAL 12 -11.133 11.790 -1.830 97 HG13 VAL 12 3HG1 VAL 12 -11.888 12.556 -0.432 98 HG21 VAL 12 3HG2 VAL 12 -9.575 13.358 0.248 99 HG22 VAL 12 1HG2 VAL 12 -8.843 12.505 -1.109 100 HG23 VAL 12 2HG2 VAL 12 -8.303 12.172 0.534 101 H ALA 13 H ALA 13 -9.723 8.721 1.460 102 HA ALA 13 HA ALA 13 -12.406 7.521 1.560 103 HB1 ALA 13 3HB ALA 13 -11.567 5.639 0.461 104 HB2 ALA 13 1HB ALA 13 -9.897 6.037 0.862 105 HB3 ALA 13 2HB ALA 13 -10.768 6.996 -0.331 106 H GLY 14 H GLY 14 -9.269 7.514 3.165 107 HA2 GLY 14 1HA GLY 14 -8.908 7.039 5.434 108 HA3 GLY 14 2HA GLY 14 -10.503 6.313 5.515 109 H SER 15 H SER 15 -8.268 5.429 2.989 110 HA SER 15 HA SER 15 -7.744 2.880 4.365 111 HB2 SER 15 1HB SER 15 -7.945 2.929 1.384 112 HB3 SER 15 2HB SER 15 -8.313 1.625 2.512 113 HG SER 15 HG SER 15 -10.158 2.686 1.467 114 H ARG 16 H ARG 16 -5.740 3.905 5.021 115 HA ARG 16 HA ARG 16 -3.809 4.514 2.961 116 HB2 ARG 16 1HB ARG 16 -2.361 5.112 4.865 117 HB3 ARG 16 2HB ARG 16 -3.887 5.969 4.889 118 HG2 ARG 16 1HG ARG 16 -4.489 3.845 6.445 119 HG3 ARG 16 2HG ARG 16 -2.769 4.027 6.789 120 HD2 ARG 16 1HD ARG 16 -3.268 6.495 7.162 121 HD3 ARG 16 2HD ARG 16 -4.972 6.037 7.167 122 HE ARG 16 HE ARG 16 -4.696 5.145 9.254 123 HH11 ARG 16 1HH1 ARG 16 -1.535 5.677 7.834 124 HH12 ARG 16 2HH1 ARG 16 -0.682 5.332 9.302 125 HH21 ARG 16 1HH2 ARG 16 -3.568 4.685 11.183 126 HH22 ARG 16 2HH2 ARG 16 -1.838 4.766 11.205 127 H THR 17 H THR 17 -4.278 2.121 5.548 128 HA THR 17 HA THR 17 -1.945 0.646 4.625 129 HB THR 17 HB THR 17 -2.045 -0.593 6.619 130 HG1 THR 17 HG1 THR 17 -4.734 0.268 6.828 131 HG21 THR 17 3HG2 THR 17 -1.930 0.939 8.330 132 HG22 THR 17 1HG2 THR 17 -3.230 1.932 7.670 133 HG23 THR 17 2HG2 THR 17 -1.643 1.935 6.903 134 H VAL 18 H VAL 18 -1.994 -1.327 3.651 135 HA VAL 18 HA VAL 18 -4.636 -2.497 3.089 136 HB VAL 18 HB VAL 18 -2.407 -2.414 1.057 137 HG11 VAL 18 1HG1 VAL 18 -5.169 -3.476 1.142 138 HG12 VAL 18 2HG1 VAL 18 -3.741 -4.088 0.309 139 HG13 VAL 18 3HG1 VAL 18 -4.641 -2.731 -0.367 140 HG21 VAL 18 3HG2 VAL 18 -4.769 -0.560 1.339 141 HG22 VAL 18 1HG2 VAL 18 -3.743 -0.665 -0.093 142 HG23 VAL 18 2HG2 VAL 18 -3.062 -0.130 1.444 143 H ARG 19 H ARG 19 -4.633 -4.366 4.180 144 HA ARG 19 HA ARG 19 -2.192 -6.000 4.225 145 HB2 ARG 19 1HB ARG 19 -4.362 -5.518 6.111 146 HB3 ARG 19 2HB ARG 19 -4.066 -7.235 5.870 147 HG2 ARG 19 1HG ARG 19 -1.552 -5.951 6.169 148 HG3 ARG 19 2HG ARG 19 -2.616 -5.391 7.462 149 HD2 ARG 19 1HD ARG 19 -2.275 -8.299 6.763 150 HD3 ARG 19 2HD ARG 19 -1.261 -7.476 7.945 151 HE ARG 19 HE ARG 19 -3.986 -8.326 8.284 152 HH11 ARG 19 1HH1 ARG 19 -1.529 -6.091 9.397 153 HH12 ARG 19 2HH1 ARG 19 -2.258 -5.872 10.952 154 HH21 ARG 19 1HH2 ARG 19 -4.945 -8.030 10.335 155 HH22 ARG 19 2HH2 ARG 19 -4.197 -6.972 11.484 156 H VAL 20 H VAL 20 -2.294 -8.260 3.757 157 HA VAL 20 HA VAL 20 -4.397 -8.906 1.809 158 HB VAL 20 HB VAL 20 -1.764 -10.331 2.224 159 HG11 VAL 20 1HG1 VAL 20 -3.951 -11.298 0.984 160 HG12 VAL 20 2HG1 VAL 20 -2.299 -11.695 0.507 161 HG13 VAL 20 3HG1 VAL 20 -3.188 -10.441 -0.357 162 HG21 VAL 20 3HG2 VAL 20 -1.958 -7.790 1.318 163 HG22 VAL 20 1HG2 VAL 20 -2.150 -8.688 -0.188 164 HG23 VAL 20 2HG2 VAL 20 -0.714 -8.930 0.806 165 H ASP 21 H ASP 21 -5.974 -10.232 2.402 166 HA ASP 21 HA ASP 21 -5.423 -12.278 4.442 167 HB2 ASP 21 1HB ASP 21 -7.495 -10.190 4.373 168 HB3 ASP 21 2HB ASP 21 -8.094 -11.800 4.747 169 H VAL 22 H VAL 22 -8.171 -11.460 2.344 170 HA VAL 22 HA VAL 22 -8.443 -14.261 1.614 171 HB VAL 22 HB VAL 22 -10.459 -12.980 2.228 172 HG11 VAL 22 1HG1 VAL 22 -11.104 -11.044 1.282 173 HG12 VAL 22 2HG1 VAL 22 -10.592 -11.539 -0.332 174 HG13 VAL 22 3HG1 VAL 22 -9.406 -10.922 0.818 175 HG21 VAL 22 3HG2 VAL 22 -10.378 -13.967 -0.622 176 HG22 VAL 22 1HG2 VAL 22 -11.854 -13.650 0.289 177 HG23 VAL 22 2HG2 VAL 22 -10.744 -14.912 0.822 178 H ASP 23 H ASP 23 -8.343 -15.063 -0.477 179 HA ASP 23 HA ASP 23 -6.858 -13.377 -2.369 180 HB2 ASP 23 1HB ASP 23 -5.798 -15.508 -1.598 181 HB3 ASP 23 2HB ASP 23 -7.112 -16.390 -2.369 182 H GLY 24 H GLY 24 -7.386 -13.388 -4.592 183 HA2 GLY 24 1HA GLY 24 -9.453 -14.762 -5.826 184 HA3 GLY 24 2HA GLY 24 -10.174 -13.315 -5.135 185 H ASP 25 H ASP 25 -9.959 -11.405 -6.188 186 HA ASP 25 HA ASP 25 -8.410 -11.451 -8.689 187 HB2 ASP 25 1HB ASP 25 -10.981 -10.210 -7.889 188 HB3 ASP 25 2HB ASP 25 -9.967 -9.273 -8.986 189 H ALA 26 H ALA 26 -8.769 -9.768 -5.650 190 HA ALA 26 HA ALA 26 -7.461 -7.371 -6.282 191 HB1 ALA 26 3HB ALA 26 -7.140 -8.613 -3.585 192 HB2 ALA 26 1HB ALA 26 -8.739 -8.102 -4.129 193 HB3 ALA 26 2HB ALA 26 -7.427 -6.928 -4.023 194 H THR 27 H THR 27 -5.400 -6.861 -6.651 195 HA THR 27 HA THR 27 -3.327 -8.853 -6.018 196 HB THR 27 HB THR 27 -2.281 -7.338 -8.085 197 HG1 THR 27 HG1 THR 27 -3.802 -6.958 -9.517 198 HG21 THR 27 3HG2 THR 27 -2.291 -9.275 -9.358 199 HG22 THR 27 1HG2 THR 27 -3.783 -9.864 -8.625 200 HG23 THR 27 2HG2 THR 27 -2.283 -9.864 -7.695 201 H VAL 28 H VAL 28 -1.056 -7.738 -6.143 202 HA VAL 28 HA VAL 28 -1.064 -5.719 -4.103 203 HB VAL 28 HB VAL 28 1.335 -6.641 -5.685 204 HG11 VAL 28 1HG1 VAL 28 2.607 -5.573 -4.166 205 HG12 VAL 28 2HG1 VAL 28 1.544 -5.991 -2.824 206 HG13 VAL 28 3HG1 VAL 28 1.145 -4.636 -3.877 207 HG21 VAL 28 3HG2 VAL 28 0.171 -8.607 -4.813 208 HG22 VAL 28 1HG2 VAL 28 0.173 -7.898 -3.198 209 HG23 VAL 28 2HG2 VAL 28 1.692 -8.342 -3.968 210 H GLY 29 H GLY 29 -0.361 -5.869 -7.560 211 HA2 GLY 29 1HA GLY 29 0.467 -3.135 -7.712 212 HA3 GLY 29 2HA GLY 29 0.146 -4.197 -9.071 213 H ASP 30 H ASP 30 -2.535 -4.891 -8.096 214 HA ASP 30 HA ASP 30 -4.080 -3.024 -9.470 215 HB2 ASP 30 1HB ASP 30 -4.914 -5.245 -9.081 216 HB3 ASP 30 2HB ASP 30 -4.833 -5.028 -7.337 217 H ALA 31 H ALA 31 -3.577 -3.385 -5.964 218 HA ALA 31 HA ALA 31 -5.089 -1.008 -5.346 219 HB1 ALA 31 3HB ALA 31 -3.507 -2.967 -3.719 220 HB2 ALA 31 1HB ALA 31 -5.236 -2.621 -3.667 221 HB3 ALA 31 2HB ALA 31 -4.083 -1.457 -3.015 222 H LEU 32 H LEU 32 -1.752 -1.815 -5.958 223 HA LEU 32 HA LEU 32 -0.481 0.334 -4.689 224 HB2 LEU 32 1HB LEU 32 0.689 -1.619 -5.657 225 HB3 LEU 32 2HB LEU 32 0.298 -1.039 -7.265 226 HG LEU 32 HG LEU 32 1.736 0.885 -5.552 227 HD11 LEU 32 1HD1 LEU 32 3.686 -0.203 -5.283 228 HD12 LEU 32 2HD1 LEU 32 3.507 -1.122 -6.777 229 HD13 LEU 32 3HD1 LEU 32 2.654 -1.633 -5.320 230 HD21 LEU 32 3HD2 LEU 32 2.088 -0.069 -8.391 231 HD22 LEU 32 1HD2 LEU 32 2.960 1.268 -7.642 232 HD23 LEU 32 2HD2 LEU 32 1.214 1.374 -7.876 233 H ASP 33 H ASP 33 -1.403 -0.016 -8.103 234 HA ASP 33 HA ASP 33 -0.915 2.638 -8.869 235 HB2 ASP 33 1HB ASP 33 -1.333 0.611 -10.364 236 HB3 ASP 33 2HB ASP 33 -3.046 0.872 -10.071 237 H ALA 34 H ALA 34 -3.838 1.029 -7.668 238 HA ALA 34 HA ALA 34 -5.683 3.072 -7.986 239 HB1 ALA 34 3HB ALA 34 -6.513 2.000 -5.650 240 HB2 ALA 34 1HB ALA 34 -5.440 0.726 -6.224 241 HB3 ALA 34 2HB ALA 34 -6.789 1.261 -7.226 242 H LEU 35 H LEU 35 -3.715 2.394 -5.099 243 HA LEU 35 HA LEU 35 -4.426 4.721 -3.688 244 HB2 LEU 35 1HB LEU 35 -2.236 2.708 -3.499 245 HB3 LEU 35 2HB LEU 35 -2.066 4.201 -2.594 246 HG LEU 35 HG LEU 35 -4.044 3.744 -1.316 247 HD11 LEU 35 1HD1 LEU 35 -4.437 1.217 -2.905 248 HD12 LEU 35 2HD1 LEU 35 -5.318 2.710 -3.219 249 HD13 LEU 35 3HD1 LEU 35 -5.495 1.893 -1.668 250 HD21 LEU 35 3HD2 LEU 35 -3.419 1.602 -0.250 251 HD22 LEU 35 1HD2 LEU 35 -2.045 2.676 -0.504 252 HD23 LEU 35 2HD2 LEU 35 -2.298 1.300 -1.578 253 H VAL 36 H VAL 36 -2.036 4.122 -6.182 254 HA VAL 36 HA VAL 36 -0.566 6.543 -5.744 255 HB VAL 36 HB VAL 36 -0.648 4.716 -8.154 256 HG11 VAL 36 1HG1 VAL 36 1.679 5.999 -8.428 257 HG12 VAL 36 2HG1 VAL 36 0.748 7.279 -7.652 258 HG13 VAL 36 3HG1 VAL 36 0.183 6.573 -9.165 259 HG21 VAL 36 3HG2 VAL 36 0.976 3.494 -7.197 260 HG22 VAL 36 1HG2 VAL 36 0.416 4.218 -5.691 261 HG23 VAL 36 2HG2 VAL 36 1.794 4.912 -6.544 262 H GLY 37 H GLY 37 -2.910 5.531 -8.264 263 HA2 GLY 37 1HA GLY 37 -4.090 8.150 -8.323 264 HA3 GLY 37 2HA GLY 37 -3.022 7.903 -9.689 265 H ALA 38 H ALA 38 -4.649 5.052 -8.623 266 HA ALA 38 HA ALA 38 -6.451 5.276 -10.932 267 HB1 ALA 38 3HB ALA 38 -5.465 3.335 -11.439 268 HB2 ALA 38 1HB ALA 38 -6.553 2.647 -10.233 269 HB3 ALA 38 2HB ALA 38 -4.899 3.073 -9.792 270 H HIS 39 H HIS 39 -6.564 5.701 -7.666 271 HA HIS 39 HA HIS 39 -9.419 5.086 -7.595 272 HB2 HIS 39 1HB HIS 39 -7.350 3.811 -5.993 273 HB3 HIS 39 2HB HIS 39 -8.555 4.605 -4.988 274 HD1 HIS 39 HD1 HIS 39 -10.603 3.287 -4.533 275 HD2 HIS 39 HD2 HIS 39 -8.617 1.951 -7.928 276 HE1 HIS 39 HE1 HIS 39 -11.846 1.231 -5.271 277 HE2 HIS 39 HE2 HIS 39 -10.555 0.374 -7.259 278 HA PRO 40 HA PRO 40 -8.386 9.508 -6.463 279 HB2 PRO 40 1HB PRO 40 -11.151 9.654 -7.564 280 HB3 PRO 40 2HB PRO 40 -9.783 10.747 -7.814 281 HG2 PRO 40 1HG PRO 40 -10.478 9.051 -9.719 282 HG3 PRO 40 2HG PRO 40 -8.763 9.306 -9.343 283 HD2 PRO 40 1HD PRO 40 -10.551 7.026 -8.585 284 HD3 PRO 40 2HD PRO 40 -8.853 7.001 -9.109 285 H ALA 41 H ALA 41 -10.787 7.196 -5.535 286 HA ALA 41 HA ALA 41 -12.453 8.610 -3.848 287 HB1 ALA 41 3HB ALA 41 -11.403 5.886 -3.140 288 HB2 ALA 41 1HB ALA 41 -12.533 6.136 -4.472 289 HB3 ALA 41 2HB ALA 41 -12.999 6.568 -2.827 290 H LEU 42 H LEU 42 -9.094 7.722 -3.368 291 HA LEU 42 HA LEU 42 -9.203 8.630 -0.580 292 HB2 LEU 42 1HB LEU 42 -6.796 7.468 -1.948 293 HB3 LEU 42 2HB LEU 42 -7.118 7.592 -0.231 294 HG LEU 42 HG LEU 42 -9.190 5.995 -1.182 295 HD11 LEU 42 1HD1 LEU 42 -8.289 5.528 -3.278 296 HD12 LEU 42 2HD1 LEU 42 -7.775 4.160 -2.290 297 HD13 LEU 42 3HD1 LEU 42 -6.638 5.456 -2.660 298 HD21 LEU 42 3HD2 LEU 42 -7.424 5.942 0.836 299 HD22 LEU 42 1HD2 LEU 42 -6.757 4.658 -0.171 300 HD23 LEU 42 2HD2 LEU 42 -8.426 4.561 0.392 301 H GLU 43 H GLU 43 -8.372 9.819 -3.672 302 HA GLU 43 HA GLU 43 -6.822 11.998 -2.428 303 HB2 GLU 43 1HB GLU 43 -6.412 10.877 -5.206 304 HB3 GLU 43 2HB GLU 43 -5.498 12.183 -4.466 305 HG2 GLU 43 1HG GLU 43 -5.205 10.140 -2.656 306 HG3 GLU 43 2HG GLU 43 -5.194 9.301 -4.207 307 H SER 44 H SER 44 -8.102 13.748 -2.399 308 HA SER 44 HA SER 44 -10.048 14.188 -4.526 309 HB2 SER 44 1HB SER 44 -9.600 16.062 -2.216 310 HB3 SER 44 2HB SER 44 -11.079 15.762 -3.128 311 HG SER 44 HG SER 44 -11.547 14.278 -1.740 312 H ARG 45 H ARG 45 -7.164 15.740 -3.163 313 HA ARG 45 HA ARG 45 -5.736 17.310 -3.972 314 HB2 ARG 45 1HB ARG 45 -6.972 16.350 -6.548 315 HB3 ARG 45 2HB ARG 45 -5.777 17.639 -6.534 316 HG2 ARG 45 1HG ARG 45 -4.163 16.144 -5.479 317 HG3 ARG 45 2HG ARG 45 -5.363 14.851 -5.471 318 HD2 ARG 45 1HD ARG 45 -4.687 14.261 -7.501 319 HD3 ARG 45 2HD ARG 45 -5.257 15.815 -8.112 320 HE ARG 45 HE ARG 45 -2.803 16.388 -7.112 321 HH11 ARG 45 1HH1 ARG 45 -3.963 14.000 -9.400 322 HH12 ARG 45 2HH1 ARG 45 -2.473 13.944 -10.281 323 HH21 ARG 45 1HH2 ARG 45 -0.847 16.310 -8.284 324 HH22 ARG 45 2HH2 ARG 45 -0.707 15.251 -9.648 325 H VAL 46 H VAL 46 -7.038 18.821 -2.718 326 HA VAL 46 HA VAL 46 -8.885 20.505 -4.222 327 HB VAL 46 HB VAL 46 -8.105 20.784 -1.316 328 HG11 VAL 46 1HG1 VAL 46 -10.656 21.679 -1.552 329 HG12 VAL 46 2HG1 VAL 46 -9.983 22.149 -3.113 330 HG13 VAL 46 3HG1 VAL 46 -9.225 22.706 -1.622 331 HG21 VAL 46 3HG2 VAL 46 -9.001 18.632 -1.388 332 HG22 VAL 46 1HG2 VAL 46 -10.181 19.061 -2.627 333 HG23 VAL 46 2HG2 VAL 46 -10.386 19.643 -0.975 334 H PHE 47 H PHE 47 -6.205 21.232 -1.945 335 HA PHE 47 HA PHE 47 -5.252 23.265 -3.836 336 HB2 PHE 47 1HB PHE 47 -6.239 23.708 -1.071 337 HB3 PHE 47 2HB PHE 47 -4.768 24.559 -1.521 338 HD1 PHE 47 HD1 PHE 47 -8.171 23.872 -2.895 339 HD2 PHE 47 HD2 PHE 47 -4.986 26.653 -2.427 340 HE1 PHE 47 HE1 PHE 47 -9.520 25.598 -4.013 341 HE2 PHE 47 HE2 PHE 47 -6.329 28.385 -3.543 342 HZ PHE 47 HZ PHE 47 -8.599 27.860 -4.337 343 H GLY 48 H GLY 48 -3.688 21.534 -4.234 344 HA2 GLY 48 1HA GLY 48 -1.499 20.832 -4.084 345 HA3 GLY 48 2HA GLY 48 -1.282 21.964 -2.758 346 H ASP 49 H ASP 49 -1.802 21.298 -0.622 347 HA ASP 49 HA ASP 49 -2.372 18.475 -0.188 348 HB2 ASP 49 1HB ASP 49 0.245 19.792 0.386 349 HB3 ASP 49 2HB ASP 49 -0.362 18.637 1.567 350 H ASP 50 H ASP 50 -2.694 17.993 2.156 351 HA ASP 50 HA ASP 50 -3.754 20.361 3.558 352 HB2 ASP 50 1HB ASP 50 -4.767 17.514 3.514 353 HB3 ASP 50 2HB ASP 50 -5.322 18.716 4.674 354 H GLY 51 H GLY 51 -1.024 19.331 3.739 355 HA2 GLY 51 1HA GLY 51 -0.677 19.442 6.528 356 HA3 GLY 51 2HA GLY 51 -0.605 17.761 6.026 357 H GLU 52 H GLU 52 0.892 20.933 5.661 358 HA GLU 52 HA GLU 52 3.157 19.835 4.223 359 HB2 GLU 52 1HB GLU 52 4.025 22.170 4.307 360 HB3 GLU 52 2HB GLU 52 2.442 22.026 3.560 361 HG2 GLU 52 1HG GLU 52 1.473 23.333 5.087 362 HG3 GLU 52 2HG GLU 52 2.329 22.568 6.427 363 H LEU 53 H LEU 53 5.006 19.146 5.085 364 HA LEU 53 HA LEU 53 6.177 20.183 7.451 365 HB2 LEU 53 1HB LEU 53 4.218 18.698 8.264 366 HB3 LEU 53 2HB LEU 53 5.230 17.352 7.778 367 HG LEU 53 HG LEU 53 6.648 19.249 9.480 368 HD11 LEU 53 1HD1 LEU 53 5.472 18.638 11.547 369 HD12 LEU 53 2HD1 LEU 53 4.217 17.855 10.588 370 HD13 LEU 53 3HD1 LEU 53 4.465 19.596 10.463 371 HD21 LEU 53 3HD2 LEU 53 7.294 17.219 10.629 372 HD22 LEU 53 1HD2 LEU 53 7.432 16.991 8.887 373 HD23 LEU 53 2HD2 LEU 53 6.062 16.304 9.760 374 H TYR 54 H TYR 54 8.188 19.019 8.047 375 HA TYR 54 HA TYR 54 9.355 17.727 5.681 376 HB2 TYR 54 1HB TYR 54 10.291 19.789 7.348 377 HB3 TYR 54 2HB TYR 54 11.284 18.386 7.730 378 HD1 TYR 54 HD2 TYR 54 12.692 17.348 5.995 379 HD2 TYR 54 HD1 TYR 54 10.450 20.880 5.210 380 HE1 TYR 54 HE2 TYR 54 14.039 17.749 3.977 381 HE2 TYR 54 HE1 TYR 54 11.790 21.288 3.190 382 HH TYR 54 HH TYR 54 14.679 19.802 2.566 383 H ASP 55 H ASP 55 9.383 15.576 5.747 384 HA ASP 55 HA ASP 55 10.330 14.240 8.166 385 HB2 ASP 55 1HB ASP 55 7.599 14.237 7.344 386 HB3 ASP 55 2HB ASP 55 8.245 12.620 7.088 387 H HIS 56 H HIS 56 11.138 12.091 7.805 388 HA HIS 56 HA HIS 56 11.532 11.360 4.989 389 HB2 HIS 56 1HB HIS 56 13.522 12.620 6.180 390 HB3 HIS 56 2HB HIS 56 13.824 11.035 6.884 391 HD1 HIS 56 HD1 HIS 56 13.193 9.299 4.382 392 HD2 HIS 56 HD2 HIS 56 15.556 12.717 4.359 393 HE1 HIS 56 HE1 HIS 56 14.679 9.074 2.368 394 HE2 HIS 56 HE2 HIS 56 16.176 11.099 2.440 395 H ILE 57 H ILE 57 10.374 9.527 4.922 396 HA ILE 57 HA ILE 57 11.164 7.360 6.751 397 HB ILE 57 HB ILE 57 8.323 7.697 5.802 398 HG12 ILE 57 1HG1 ILE 57 8.212 8.186 8.483 399 HG13 ILE 57 2HG1 ILE 57 9.725 8.980 8.061 400 HG21 ILE 57 1HG2 ILE 57 9.647 5.953 7.867 401 HG22 ILE 57 2HG2 ILE 57 8.844 5.447 6.382 402 HG23 ILE 57 3HG2 ILE 57 7.899 6.127 7.707 403 HD11 ILE 57 3HD1 ILE 57 6.984 9.767 7.519 404 HD12 ILE 57 1HD1 ILE 57 8.020 9.836 6.093 405 HD13 ILE 57 2HD1 ILE 57 8.460 10.732 7.548 406 H ASN 58 H ASN 58 9.441 8.122 3.719 407 HA ASN 58 HA ASN 58 9.463 7.153 1.668 408 HB2 ASN 58 1HB ASN 58 12.079 6.598 2.749 409 HB3 ASN 58 2HB ASN 58 11.549 5.251 1.749 410 HD21 ASN 58 2HD2 ASN 58 10.174 6.384 -0.249 411 HD22 ASN 58 1HD2 ASN 58 11.171 7.469 -1.149 412 H VAL 59 H VAL 59 9.960 4.567 0.783 413 HA VAL 59 HA VAL 59 7.779 3.144 2.062 414 HB VAL 59 HB VAL 59 8.143 1.536 0.119 415 HG11 VAL 59 1HG1 VAL 59 6.547 3.641 0.352 416 HG12 VAL 59 2HG1 VAL 59 6.621 2.674 -1.121 417 HG13 VAL 59 3HG1 VAL 59 7.509 4.194 -1.017 418 HG21 VAL 59 3HG2 VAL 59 9.560 3.740 -1.283 419 HG22 VAL 59 1HG2 VAL 59 9.557 2.008 -1.613 420 HG23 VAL 59 2HG2 VAL 59 10.497 2.645 -0.265 421 H LEU 60 H LEU 60 7.934 0.951 2.738 422 HA LEU 60 HA LEU 60 10.669 -0.015 3.209 423 HB2 LEU 60 1HB LEU 60 9.240 1.037 5.206 424 HB3 LEU 60 2HB LEU 60 8.603 -0.596 5.262 425 HG LEU 60 HG LEU 60 10.780 -1.516 5.689 426 HD11 LEU 60 1HD1 LEU 60 11.685 1.086 4.693 427 HD12 LEU 60 2HD1 LEU 60 12.478 -0.491 4.648 428 HD13 LEU 60 3HD1 LEU 60 12.561 0.500 6.107 429 HD21 LEU 60 3HD2 LEU 60 11.034 -0.825 7.863 430 HD22 LEU 60 1HD2 LEU 60 9.413 -0.225 7.513 431 HD23 LEU 60 2HD2 LEU 60 10.791 0.878 7.468 432 H ARG 61 H ARG 61 10.941 -2.262 3.348 433 HA ARG 61 HA ARG 61 8.657 -3.954 2.676 434 HB2 ARG 61 1HB ARG 61 11.066 -3.506 0.956 435 HB3 ARG 61 2HB ARG 61 10.298 -5.086 0.968 436 HG2 ARG 61 1HG ARG 61 8.680 -4.393 -0.372 437 HG3 ARG 61 2HG ARG 61 8.338 -3.002 0.658 438 HD2 ARG 61 1HD ARG 61 10.493 -2.022 -0.425 439 HD3 ARG 61 2HD ARG 61 10.188 -3.225 -1.678 440 HE ARG 61 HE ARG 61 7.796 -1.972 -1.405 441 HH11 ARG 61 1HH1 ARG 61 11.057 -0.838 -1.986 442 HH12 ARG 61 2HH1 ARG 61 10.547 0.547 -2.889 443 HH21 ARG 61 1HH2 ARG 61 7.127 -0.144 -2.594 444 HH22 ARG 61 2HH2 ARG 61 8.314 0.942 -3.233 445 H ASN 62 H ASN 62 8.882 -6.120 3.287 446 HA ASN 62 HA ASN 62 10.381 -6.688 5.543 447 HB2 ASN 62 1HB ASN 62 9.860 -9.077 5.114 448 HB3 ASN 62 2HB ASN 62 8.455 -8.030 4.952 449 HD21 ASN 62 2HD2 ASN 62 7.197 -8.830 3.412 450 HD22 ASN 62 1HD2 ASN 62 7.726 -9.398 1.868 451 H GLY 63 H GLY 63 11.442 -6.691 2.251 452 HA2 GLY 63 1HA GLY 63 13.845 -6.579 1.893 453 HA3 GLY 63 2HA GLY 63 14.027 -7.821 3.121 454 H GLU 64 H GLU 64 11.455 -8.109 0.801 455 HA GLU 64 HA GLU 64 12.998 -10.100 -0.719 456 HB2 GLU 64 1HB GLU 64 11.170 -10.849 1.105 457 HB3 GLU 64 2HB GLU 64 10.102 -10.602 -0.269 458 HG2 GLU 64 1HG GLU 64 12.541 -12.203 -0.746 459 HG3 GLU 64 2HG GLU 64 11.295 -12.927 0.265 460 H ALA 65 H ALA 65 11.896 -10.677 -2.812 461 HA ALA 65 HA ALA 65 11.504 -8.412 -4.387 462 HB1 ALA 65 3HB ALA 65 10.369 -10.257 -5.943 463 HB2 ALA 65 1HB ALA 65 11.152 -11.328 -4.781 464 HB3 ALA 65 2HB ALA 65 12.113 -10.165 -5.696 465 H ALA 66 H ALA 66 9.842 -7.067 -4.568 466 HA ALA 66 HA ALA 66 7.375 -7.472 -3.237 467 HB1 ALA 66 3HB ALA 66 8.685 -5.301 -4.383 468 HB2 ALA 66 1HB ALA 66 7.125 -5.287 -3.564 469 HB3 ALA 66 2HB ALA 66 7.197 -5.473 -5.317 470 H ALA 67 H ALA 67 5.328 -7.917 -4.011 471 HA ALA 67 HA ALA 67 5.248 -9.367 -6.542 472 HB1 ALA 67 3HB ALA 67 2.725 -9.404 -5.228 473 HB2 ALA 67 1HB ALA 67 3.982 -9.699 -4.027 474 HB3 ALA 67 2HB ALA 67 3.870 -10.725 -5.456 475 H LEU 68 H LEU 68 2.823 -9.144 -7.510 476 HA LEU 68 HA LEU 68 1.718 -6.528 -7.543 477 HB2 LEU 68 1HB LEU 68 3.937 -6.359 -8.851 478 HB3 LEU 68 2HB LEU 68 3.108 -7.260 -10.101 479 HG LEU 68 HG LEU 68 2.020 -4.674 -9.015 480 HD11 LEU 68 1HD1 LEU 68 3.443 -4.687 -11.603 481 HD12 LEU 68 2HD1 LEU 68 4.438 -4.742 -10.147 482 HD13 LEU 68 3HD1 LEU 68 3.300 -3.416 -10.387 483 HD21 LEU 68 3HD2 LEU 68 1.460 -6.411 -11.392 484 HD22 LEU 68 1HD2 LEU 68 1.061 -4.694 -11.411 485 HD23 LEU 68 2HD2 LEU 68 0.336 -5.754 -10.203 486 H GLY 69 H GLY 69 2.229 -9.410 -9.585 487 HA2 GLY 69 1HA GLY 69 -0.566 -9.315 -10.440 488 HA3 GLY 69 2HA GLY 69 0.683 -10.363 -11.089 489 H GLU 70 H GLU 70 0.262 -10.092 -7.635 490 HA GLU 70 HA GLU 70 -1.595 -12.190 -7.282 491 HB2 GLU 70 1HB GLU 70 0.809 -13.186 -8.104 492 HB3 GLU 70 2HB GLU 70 1.016 -13.206 -6.359 493 HG2 GLU 70 1HG GLU 70 -1.364 -14.334 -6.433 494 HG3 GLU 70 2HG GLU 70 -0.853 -14.753 -8.068 495 H ALA 71 H ALA 71 -2.472 -10.951 -5.669 496 HA ALA 71 HA ALA 71 -1.096 -9.576 -3.670 497 HB1 ALA 71 3HB ALA 71 -3.887 -10.672 -3.784 498 HB2 ALA 71 1HB ALA 71 -3.350 -9.004 -3.988 499 HB3 ALA 71 2HB ALA 71 -3.293 -9.761 -2.396 500 H THR 72 H THR 72 -1.877 -12.970 -3.926 501 HA THR 72 HA THR 72 -1.247 -13.470 -1.129 502 HB THR 72 HB THR 72 -1.584 -15.935 -2.058 503 HG1 THR 72 HG1 THR 72 -3.355 -14.682 -3.807 504 HG21 THR 72 3HG2 THR 72 -3.060 -14.701 -0.444 505 HG22 THR 72 1HG2 THR 72 -3.867 -15.881 -1.476 506 HG23 THR 72 2HG2 THR 72 -3.995 -14.159 -1.839 507 H ALA 73 H ALA 73 0.876 -12.430 -2.806 508 HA ALA 73 HA ALA 73 2.639 -14.583 -3.499 509 HB1 ALA 73 3HB ALA 73 4.279 -12.466 -3.496 510 HB2 ALA 73 1HB ALA 73 2.730 -11.628 -3.588 511 HB3 ALA 73 2HB ALA 73 3.163 -12.817 -4.816 512 H ALA 74 H ALA 74 5.041 -14.265 -2.603 513 HA ALA 74 HA ALA 74 4.872 -14.887 0.213 514 HB1 ALA 74 3HB ALA 74 6.893 -15.914 -0.025 515 HB2 ALA 74 1HB ALA 74 7.504 -14.700 -1.148 516 HB3 ALA 74 2HB ALA 74 6.378 -15.935 -1.711 517 H GLY 75 H GLY 75 4.145 -12.615 0.723 518 HA2 GLY 75 1HA GLY 75 4.696 -10.728 1.951 519 HA3 GLY 75 2HA GLY 75 6.393 -11.140 1.752 520 H ASP 76 H ASP 76 4.878 -8.560 1.457 521 HA ASP 76 HA ASP 76 5.790 -7.940 -1.278 522 HB2 ASP 76 1HB ASP 76 3.279 -7.148 0.135 523 HB3 ASP 76 2HB ASP 76 3.987 -6.034 -1.029 524 H GLU 77 H GLU 77 4.599 -5.872 1.328 525 HA GLU 77 HA GLU 77 7.278 -4.778 1.697 526 HB2 GLU 77 1HB GLU 77 6.126 -2.443 1.683 527 HB3 GLU 77 2HB GLU 77 6.571 -3.188 0.157 528 HG2 GLU 77 1HG GLU 77 4.064 -4.113 0.403 529 HG3 GLU 77 2HG GLU 77 3.917 -2.594 1.284 530 H LEU 78 H LEU 78 6.932 -2.853 3.446 531 HA LEU 78 HA LEU 78 5.484 -4.127 5.669 532 HB2 LEU 78 1HB LEU 78 8.141 -3.296 5.463 533 HB3 LEU 78 2HB LEU 78 7.371 -2.058 6.433 534 HG LEU 78 HG LEU 78 8.333 -3.709 7.892 535 HD11 LEU 78 1HD1 LEU 78 6.288 -2.767 8.695 536 HD12 LEU 78 2HD1 LEU 78 6.301 -4.483 9.099 537 HD13 LEU 78 3HD1 LEU 78 5.333 -3.903 7.746 538 HD21 LEU 78 3HD2 LEU 78 7.969 -5.515 5.965 539 HD22 LEU 78 1HD2 LEU 78 6.567 -5.896 6.963 540 HD23 LEU 78 2HD2 LEU 78 8.188 -5.958 7.658 541 H ALA 79 H ALA 79 6.413 -0.907 4.434 542 HA ALA 79 HA ALA 79 3.755 0.107 4.897 543 HB1 ALA 79 3HB ALA 79 6.037 1.294 6.483 544 HB2 ALA 79 1HB ALA 79 4.776 0.258 7.149 545 HB3 ALA 79 2HB ALA 79 4.359 1.835 6.481 546 H LEU 80 H LEU 80 3.785 2.611 4.442 547 HA LEU 80 HA LEU 80 5.891 3.467 2.650 548 HB2 LEU 80 1HB LEU 80 4.660 2.269 1.045 549 HB3 LEU 80 2HB LEU 80 3.122 2.798 1.692 550 HG LEU 80 HG LEU 80 4.937 4.872 0.561 551 HD11 LEU 80 1HD1 LEU 80 3.146 3.613 -1.395 552 HD12 LEU 80 2HD1 LEU 80 4.552 2.650 -0.940 553 HD13 LEU 80 3HD1 LEU 80 4.770 4.271 -1.596 554 HD21 LEU 80 3HD2 LEU 80 2.049 4.466 1.060 555 HD22 LEU 80 1HD2 LEU 80 2.489 5.422 -0.356 556 HD23 LEU 80 2HD2 LEU 80 3.042 5.912 1.243 557 H PHE 81 H PHE 81 6.277 5.503 3.196 558 HA PHE 81 HA PHE 81 4.021 7.308 3.666 559 HB2 PHE 81 1HB PHE 81 6.411 7.311 5.503 560 HB3 PHE 81 2HB PHE 81 4.893 8.178 5.700 561 HD1 PHE 81 HD1 PHE 81 2.790 6.830 6.137 562 HD2 PHE 81 HD2 PHE 81 6.702 5.173 6.391 563 HE1 PHE 81 HE1 PHE 81 1.911 4.969 7.484 564 HE2 PHE 81 HE2 PHE 81 5.829 3.310 7.738 565 HZ PHE 81 HZ PHE 81 3.432 3.204 8.285 566 HA PRO 82 HA PRO 82 6.779 9.493 0.838 567 HB2 PRO 82 1HB PRO 82 4.944 11.312 0.027 568 HB3 PRO 82 2HB PRO 82 4.977 9.655 -0.587 569 HG2 PRO 82 1HG PRO 82 3.240 10.855 1.536 570 HG3 PRO 82 2HG PRO 82 2.801 9.741 0.227 571 HD2 PRO 82 1HD PRO 82 3.217 8.929 2.785 572 HD3 PRO 82 2HD PRO 82 3.543 7.898 1.379 573 HA PRO 83 HA PRO 83 7.820 13.005 3.364 574 HB2 PRO 83 1HB PRO 83 9.566 14.232 1.781 575 HB3 PRO 83 2HB PRO 83 9.887 12.602 2.385 576 HG2 PRO 83 1HG PRO 83 8.938 13.471 -0.312 577 HG3 PRO 83 2HG PRO 83 10.090 12.194 0.113 578 HD2 PRO 83 1HD PRO 83 7.389 11.811 -0.484 579 HD3 PRO 83 2HD PRO 83 8.438 10.650 0.350 580 H VAL 84 H VAL 84 5.335 13.304 1.713 581 HA VAL 84 HA VAL 84 3.984 14.865 0.736 582 HB VAL 84 HB VAL 84 3.553 15.317 3.021 583 HG11 VAL 84 1HG1 VAL 84 4.869 16.963 4.331 584 HG12 VAL 84 2HG1 VAL 84 6.046 17.010 3.020 585 HG13 VAL 84 3HG1 VAL 84 5.773 15.513 3.907 586 HG21 VAL 84 3HG2 VAL 84 4.048 18.057 1.901 587 HG22 VAL 84 1HG2 VAL 84 2.723 17.501 2.924 588 HG23 VAL 84 2HG2 VAL 84 2.809 16.991 1.236 589 H SER 85 H SER 85 5.039 15.194 -1.232 590 HA SER 85 HA SER 85 6.942 17.359 -1.514 591 HB2 SER 85 1HB SER 85 7.298 15.400 -2.882 592 HB3 SER 85 2HB SER 85 5.657 15.495 -3.522 593 HG SER 85 HG SER 85 6.218 17.167 -4.771 594 H GLY 86 H GLY 86 6.456 19.408 -2.053 595 HA2 GLY 86 1HA GLY 86 5.301 21.218 -2.902 596 HA3 GLY 86 2HA GLY 86 4.199 20.093 -3.676 597 H GLY 87 H GLY 87 2.578 21.709 -3.062 598 HA2 GLY 87 1HA GLY 87 0.802 20.987 -1.206 599 HA3 GLY 87 2HA GLY 87 1.936 21.908 -0.232 Start of MODEL 9 1 H1 MET 1 1H MET 1 2.370 -10.032 2.907 2 H2 MET 1 2H MET 1 1.882 -9.154 4.297 3 H3 MET 1 3H MET 1 2.718 -8.359 3.027 4 HA MET 1 HA MET 1 0.946 -8.376 1.638 5 HB2 MET 1 1HB MET 1 0.239 -10.782 3.230 6 HB3 MET 1 2HB MET 1 -1.108 -9.873 2.559 7 HG2 MET 1 1HG MET 1 0.229 -10.016 0.343 8 HG3 MET 1 2HG MET 1 1.076 -11.336 1.146 9 HE1 MET 1 3HE MET 1 -0.367 -13.712 -0.626 10 HE2 MET 1 1HE MET 1 -0.704 -14.201 1.035 11 HE3 MET 1 2HE MET 1 0.750 -13.277 0.666 12 H GLU 2 H GLU 2 1.521 -6.522 3.445 13 HA GLU 2 HA GLU 2 -1.107 -5.680 4.405 14 HB2 GLU 2 1HB GLU 2 1.310 -5.442 6.192 15 HB3 GLU 2 2HB GLU 2 -0.373 -5.153 6.603 16 HG2 GLU 2 1HG GLU 2 -0.857 -7.522 6.384 17 HG3 GLU 2 2HG GLU 2 0.815 -7.832 5.912 18 H TRP 3 H TRP 3 -1.025 -3.367 5.202 19 HA TRP 3 HA TRP 3 1.076 -1.697 4.146 20 HB2 TRP 3 1HB TRP 3 -0.823 -2.308 2.331 21 HB3 TRP 3 2HB TRP 3 -1.607 -0.941 3.111 22 HD1 TRP 3 HD TRP 3 1.778 0.064 3.413 23 HE1 TRP 3 HE1 TRP 3 2.578 1.501 1.442 24 HE3 TRP 3 HE3 TRP 3 -1.919 -1.025 0.043 25 HZ2 TRP 3 HZ2 TRP 3 1.763 2.105 -1.183 26 HZ3 TRP 3 HZ3 TRP 3 -1.828 0.031 -2.177 27 HH2 TRP 3 HH TRP 3 -0.024 1.563 -2.776 28 H LYS 4 H LYS 4 1.115 0.320 5.129 29 HA LYS 4 HA LYS 4 -1.127 1.070 6.860 30 HB2 LYS 4 1HB LYS 4 1.535 0.222 7.736 31 HB3 LYS 4 2HB LYS 4 1.065 1.792 8.373 32 HG2 LYS 4 1HG LYS 4 -0.887 0.874 9.392 33 HG3 LYS 4 2HG LYS 4 -0.640 -0.677 8.590 34 HD2 LYS 4 1HD LYS 4 1.494 0.423 10.370 35 HD3 LYS 4 2HD LYS 4 0.079 -0.353 11.082 36 HE2 LYS 4 1HE LYS 4 1.832 -1.628 8.986 37 HE3 LYS 4 2HE LYS 4 2.035 -1.871 10.721 38 HZ1 LYS 4 3HZ LYS 4 -0.296 -2.647 9.055 39 HZ2 LYS 4 1HZ LYS 4 -0.306 -2.690 10.749 40 HZ3 LYS 4 2HZ LYS 4 0.764 -3.672 9.881 41 H LEU 5 H LEU 5 -1.341 3.321 7.186 42 HA LEU 5 HA LEU 5 0.695 5.062 6.046 43 HB2 LEU 5 1HB LEU 5 -1.172 4.255 4.336 44 HB3 LEU 5 2HB LEU 5 -2.075 5.565 5.073 45 HG LEU 5 HG LEU 5 0.675 6.204 4.157 46 HD11 LEU 5 1HD1 LEU 5 -1.465 5.223 2.359 47 HD12 LEU 5 2HD1 LEU 5 0.288 5.126 2.198 48 HD13 LEU 5 3HD1 LEU 5 -0.547 6.638 1.843 49 HD21 LEU 5 3HD2 LEU 5 -1.202 8.020 3.180 50 HD22 LEU 5 1HD2 LEU 5 -0.165 8.214 4.591 51 HD23 LEU 5 2HD2 LEU 5 -1.791 7.561 4.775 52 H PHE 6 H PHE 6 0.187 7.389 6.367 53 HA PHE 6 HA PHE 6 -0.908 7.785 9.025 54 HB2 PHE 6 1HB PHE 6 1.261 8.840 7.926 55 HB3 PHE 6 2HB PHE 6 0.116 10.045 7.348 56 HD1 PHE 6 HD1 PHE 6 0.443 8.208 10.581 57 HD2 PHE 6 HD2 PHE 6 0.338 11.965 8.586 58 HE1 PHE 6 HE1 PHE 6 0.562 9.359 12.752 59 HE2 PHE 6 HE2 PHE 6 0.460 13.124 10.752 60 HZ PHE 6 HZ PHE 6 0.571 11.820 12.839 61 H ALA 7 H ALA 7 -2.095 10.120 9.187 62 HA ALA 7 HA ALA 7 -4.640 9.755 8.038 63 HB1 ALA 7 3HB ALA 7 -3.418 12.124 9.422 64 HB2 ALA 7 1HB ALA 7 -4.529 10.924 10.086 65 HB3 ALA 7 2HB ALA 7 -5.096 12.077 8.877 66 H ASP 8 H ASP 8 -1.830 11.104 6.657 67 HA ASP 8 HA ASP 8 -2.721 13.163 5.059 68 HB2 ASP 8 1HB ASP 8 -0.639 11.036 4.643 69 HB3 ASP 8 2HB ASP 8 -0.991 12.190 3.362 70 H LEU 9 H LEU 9 -3.202 9.706 4.656 71 HA LEU 9 HA LEU 9 -4.716 10.193 2.187 72 HB2 LEU 9 1HB LEU 9 -3.094 7.964 3.201 73 HB3 LEU 9 2HB LEU 9 -4.592 7.483 2.428 74 HG LEU 9 HG LEU 9 -3.865 8.937 0.455 75 HD11 LEU 9 1HD1 LEU 9 -1.973 9.910 2.043 76 HD12 LEU 9 2HD1 LEU 9 -1.763 9.780 0.296 77 HD13 LEU 9 3HD1 LEU 9 -1.067 8.560 1.360 78 HD21 LEU 9 3HD2 LEU 9 -3.706 6.789 -0.182 79 HD22 LEU 9 1HD2 LEU 9 -2.868 6.303 1.291 80 HD23 LEU 9 2HD2 LEU 9 -1.972 7.067 -0.023 81 H ALA 10 H ALA 10 -5.204 9.672 5.497 82 HA ALA 10 HA ALA 10 -7.758 8.311 5.116 83 HB1 ALA 10 3HB ALA 10 -5.893 8.126 7.099 84 HB2 ALA 10 1HB ALA 10 -7.568 7.585 7.219 85 HB3 ALA 10 2HB ALA 10 -7.109 9.177 7.826 86 H GLU 11 H GLU 11 -6.728 11.448 4.954 87 HA GLU 11 HA GLU 11 -8.702 12.793 6.485 88 HB2 GLU 11 1HB GLU 11 -6.471 13.495 4.864 89 HB3 GLU 11 2HB GLU 11 -7.860 14.419 4.306 90 HG2 GLU 11 1HG GLU 11 -7.851 15.730 6.104 91 HG3 GLU 11 2HG GLU 11 -7.619 14.373 7.205 92 H VAL 12 H VAL 12 -8.618 11.685 3.119 93 HA VAL 12 HA VAL 12 -11.216 12.938 2.636 94 HB VAL 12 HB VAL 12 -9.420 11.512 0.687 95 HG11 VAL 12 1HG1 VAL 12 -12.072 12.846 0.448 96 HG12 VAL 12 2HG1 VAL 12 -11.478 11.373 -0.318 97 HG13 VAL 12 3HG1 VAL 12 -10.937 12.948 -0.898 98 HG21 VAL 12 3HG2 VAL 12 -9.728 14.391 1.460 99 HG22 VAL 12 1HG2 VAL 12 -9.160 13.938 -0.147 100 HG23 VAL 12 2HG2 VAL 12 -8.253 13.440 1.283 101 H ALA 13 H ALA 13 -9.728 9.702 2.329 102 HA ALA 13 HA ALA 13 -12.439 8.571 2.178 103 HB1 ALA 13 3HB ALA 13 -10.034 6.873 1.777 104 HB2 ALA 13 1HB ALA 13 -10.443 8.053 0.533 105 HB3 ALA 13 2HB ALA 13 -11.610 6.813 0.989 106 H GLY 14 H GLY 14 -9.493 8.475 4.103 107 HA2 GLY 14 1HA GLY 14 -9.397 7.970 6.394 108 HA3 GLY 14 2HA GLY 14 -10.999 7.263 6.283 109 H SER 15 H SER 15 -8.538 6.383 3.984 110 HA SER 15 HA SER 15 -8.218 3.795 5.350 111 HB2 SER 15 1HB SER 15 -7.823 3.116 2.758 112 HB3 SER 15 2HB SER 15 -9.389 3.007 3.563 113 HG SER 15 HG SER 15 -10.074 4.749 2.508 114 H ARG 16 H ARG 16 -6.238 4.084 6.236 115 HA ARG 16 HA ARG 16 -4.041 5.010 4.555 116 HB2 ARG 16 1HB ARG 16 -3.215 4.432 7.236 117 HB3 ARG 16 2HB ARG 16 -3.258 5.978 6.408 118 HG2 ARG 16 1HG ARG 16 -5.747 6.021 7.042 119 HG3 ARG 16 2HG ARG 16 -5.328 4.737 8.178 120 HD2 ARG 16 1HD ARG 16 -3.502 6.294 9.021 121 HD3 ARG 16 2HD ARG 16 -4.297 7.560 8.090 122 HE ARG 16 HE ARG 16 -5.985 7.617 9.646 123 HH11 ARG 16 1HH1 ARG 16 -4.007 4.783 10.202 124 HH12 ARG 16 2HH1 ARG 16 -4.728 4.426 11.733 125 HH21 ARG 16 1HH2 ARG 16 -6.939 7.139 11.662 126 HH22 ARG 16 2HH2 ARG 16 -6.396 5.763 12.563 127 H THR 17 H THR 17 -4.989 2.316 6.668 128 HA THR 17 HA THR 17 -2.729 0.735 5.723 129 HB THR 17 HB THR 17 -3.198 -0.785 7.482 130 HG1 THR 17 HG1 THR 17 -5.373 -1.069 7.363 131 HG21 THR 17 3HG2 THR 17 -2.869 0.459 9.349 132 HG22 THR 17 1HG2 THR 17 -4.107 1.640 8.918 133 HG23 THR 17 2HG2 THR 17 -2.532 1.683 8.126 134 H VAL 18 H VAL 18 -2.946 -1.260 4.669 135 HA VAL 18 HA VAL 18 -5.601 -2.072 3.760 136 HB VAL 18 HB VAL 18 -3.388 -1.742 1.740 137 HG11 VAL 18 1HG1 VAL 18 -5.058 -3.313 1.076 138 HG12 VAL 18 2HG1 VAL 18 -5.317 -1.831 0.157 139 HG13 VAL 18 3HG1 VAL 18 -6.357 -2.208 1.532 140 HG21 VAL 18 3HG2 VAL 18 -4.525 0.289 0.953 141 HG22 VAL 18 1HG2 VAL 18 -3.890 0.479 2.587 142 HG23 VAL 18 2HG2 VAL 18 -5.614 0.206 2.337 143 H ARG 19 H ARG 19 -5.710 -4.162 4.295 144 HA ARG 19 HA ARG 19 -3.279 -5.808 4.095 145 HB2 ARG 19 1HB ARG 19 -4.328 -7.342 5.657 146 HB3 ARG 19 2HB ARG 19 -4.334 -5.716 6.324 147 HG2 ARG 19 1HG ARG 19 -6.737 -5.627 5.276 148 HG3 ARG 19 2HG ARG 19 -6.606 -7.385 5.362 149 HD2 ARG 19 1HD ARG 19 -7.619 -6.741 7.384 150 HD3 ARG 19 2HD ARG 19 -5.933 -7.060 7.791 151 HE ARG 19 HE ARG 19 -6.482 -4.304 7.170 152 HH11 ARG 19 1HH1 ARG 19 -6.446 -6.718 9.705 153 HH12 ARG 19 2HH1 ARG 19 -6.279 -5.557 10.978 154 HH21 ARG 19 1HH2 ARG 19 -6.262 -2.778 8.855 155 HH22 ARG 19 2HH2 ARG 19 -6.176 -3.323 10.495 156 H VAL 20 H VAL 20 -3.253 -7.701 2.915 157 HA VAL 20 HA VAL 20 -5.531 -8.070 1.090 158 HB VAL 20 HB VAL 20 -2.729 -9.134 0.723 159 HG11 VAL 20 1HG1 VAL 20 -3.752 -8.953 -1.746 160 HG12 VAL 20 2HG1 VAL 20 -5.237 -9.236 -0.841 161 HG13 VAL 20 3HG1 VAL 20 -3.911 -10.394 -0.743 162 HG21 VAL 20 3HG2 VAL 20 -3.908 -6.484 0.096 163 HG22 VAL 20 1HG2 VAL 20 -2.858 -7.213 -1.119 164 HG23 VAL 20 2HG2 VAL 20 -2.250 -6.918 0.510 165 H ASP 21 H ASP 21 -6.813 -9.740 1.421 166 HA ASP 21 HA ASP 21 -5.718 -12.166 2.678 167 HB2 ASP 21 1HB ASP 21 -7.989 -10.494 3.482 168 HB3 ASP 21 2HB ASP 21 -8.370 -12.210 3.376 169 H VAL 22 H VAL 22 -8.301 -10.850 0.643 170 HA VAL 22 HA VAL 22 -8.953 -13.474 -0.402 171 HB VAL 22 HB VAL 22 -10.030 -10.801 -1.314 172 HG11 VAL 22 1HG1 VAL 22 -10.554 -12.416 -2.936 173 HG12 VAL 22 2HG1 VAL 22 -12.003 -12.291 -1.938 174 HG13 VAL 22 3HG1 VAL 22 -10.898 -13.649 -1.722 175 HG21 VAL 22 3HG2 VAL 22 -10.339 -11.912 1.215 176 HG22 VAL 22 1HG2 VAL 22 -11.813 -12.356 0.357 177 HG23 VAL 22 2HG2 VAL 22 -11.342 -10.662 0.482 178 H ASP 23 H ASP 23 -8.418 -14.260 -2.382 179 HA ASP 23 HA ASP 23 -6.687 -12.568 -4.062 180 HB2 ASP 23 1HB ASP 23 -6.568 -15.542 -3.542 181 HB3 ASP 23 2HB ASP 23 -5.666 -14.747 -4.829 182 H GLY 24 H GLY 24 -6.568 -13.472 -6.386 183 HA2 GLY 24 1HA GLY 24 -8.317 -14.964 -7.746 184 HA3 GLY 24 2HA GLY 24 -9.300 -13.555 -7.378 185 H ASP 25 H ASP 25 -8.833 -11.572 -8.365 186 HA ASP 25 HA ASP 25 -7.103 -11.801 -10.735 187 HB2 ASP 25 1HB ASP 25 -9.741 -11.049 -10.578 188 HB3 ASP 25 2HB ASP 25 -8.914 -9.495 -10.624 189 H ALA 26 H ALA 26 -7.802 -9.805 -7.924 190 HA ALA 26 HA ALA 26 -6.122 -7.632 -8.578 191 HB1 ALA 26 3HB ALA 26 -7.362 -8.646 -6.056 192 HB2 ALA 26 1HB ALA 26 -7.632 -7.127 -6.910 193 HB3 ALA 26 2HB ALA 26 -6.152 -7.365 -5.982 194 H THR 27 H THR 27 -3.986 -7.277 -8.282 195 HA THR 27 HA THR 27 -2.383 -9.501 -7.209 196 HB THR 27 HB THR 27 -0.742 -7.705 -8.675 197 HG1 THR 27 HG1 THR 27 -3.008 -8.550 -10.160 198 HG21 THR 27 3HG2 THR 27 -0.871 -9.755 -10.331 199 HG22 THR 27 1HG2 THR 27 -1.607 -10.523 -8.925 200 HG23 THR 27 2HG2 THR 27 0.011 -9.833 -8.805 201 H VAL 28 H VAL 28 -0.039 -8.515 -6.593 202 HA VAL 28 HA VAL 28 -0.584 -6.825 -4.323 203 HB VAL 28 HB VAL 28 1.880 -7.052 -3.876 204 HG11 VAL 28 1HG1 VAL 28 -0.205 -8.931 -3.597 205 HG12 VAL 28 2HG1 VAL 28 1.236 -8.739 -2.600 206 HG13 VAL 28 3HG1 VAL 28 1.262 -9.829 -3.985 207 HG21 VAL 28 3HG2 VAL 28 3.228 -8.546 -5.123 208 HG22 VAL 28 1HG2 VAL 28 2.466 -7.473 -6.294 209 HG23 VAL 28 2HG2 VAL 28 1.852 -9.109 -6.071 210 H GLY 29 H GLY 29 0.999 -6.518 -7.451 211 HA2 GLY 29 1HA GLY 29 1.852 -3.809 -6.824 212 HA3 GLY 29 2HA GLY 29 2.210 -4.693 -8.295 213 H ASP 30 H ASP 30 -0.735 -5.444 -8.454 214 HA ASP 30 HA ASP 30 -1.539 -3.413 -10.234 215 HB2 ASP 30 1HB ASP 30 -2.368 -5.704 -10.419 216 HB3 ASP 30 2HB ASP 30 -3.187 -5.553 -8.869 217 H ALA 31 H ALA 31 -2.351 -4.055 -6.852 218 HA ALA 31 HA ALA 31 -4.220 -1.864 -6.711 219 HB1 ALA 31 3HB ALA 31 -3.207 -3.004 -4.196 220 HB2 ALA 31 1HB ALA 31 -3.977 -4.155 -5.288 221 HB3 ALA 31 2HB ALA 31 -4.863 -2.735 -4.736 222 H LEU 32 H LEU 32 -0.897 -2.525 -5.689 223 HA LEU 32 HA LEU 32 -0.419 -0.287 -4.129 224 HB2 LEU 32 1HB LEU 32 1.112 -2.308 -4.766 225 HB3 LEU 32 2HB LEU 32 1.659 -1.254 -6.057 226 HG LEU 32 HG LEU 32 1.702 -0.284 -3.222 227 HD11 LEU 32 1HD1 LEU 32 4.065 -1.664 -4.422 228 HD12 LEU 32 2HD1 LEU 32 2.838 -2.584 -3.556 229 HD13 LEU 32 3HD1 LEU 32 3.718 -1.298 -2.732 230 HD21 LEU 32 3HD2 LEU 32 2.937 1.406 -4.032 231 HD22 LEU 32 1HD2 LEU 32 2.278 0.927 -5.595 232 HD23 LEU 32 2HD2 LEU 32 3.867 0.349 -5.093 233 H ASP 33 H ASP 33 0.232 -0.630 -7.619 234 HA ASP 33 HA ASP 33 0.918 2.053 -8.074 235 HB2 ASP 33 1HB ASP 33 1.480 0.302 -9.660 236 HB3 ASP 33 2HB ASP 33 -0.225 -0.005 -9.972 237 H ALA 34 H ALA 34 -2.195 0.410 -8.049 238 HA ALA 34 HA ALA 34 -3.696 2.517 -9.220 239 HB1 ALA 34 3HB ALA 34 -4.665 0.358 -9.248 240 HB2 ALA 34 1HB ALA 34 -5.655 1.329 -8.158 241 HB3 ALA 34 2HB ALA 34 -4.491 0.178 -7.503 242 H LEU 35 H LEU 35 -3.305 1.498 -5.819 243 HA LEU 35 HA LEU 35 -4.789 3.622 -4.709 244 HB2 LEU 35 1HB LEU 35 -2.549 2.078 -3.402 245 HB3 LEU 35 2HB LEU 35 -3.782 3.013 -2.582 246 HG LEU 35 HG LEU 35 -4.038 0.353 -3.943 247 HD11 LEU 35 1HD1 LEU 35 -4.589 -0.440 -1.891 248 HD12 LEU 35 2HD1 LEU 35 -5.337 1.073 -1.379 249 HD13 LEU 35 3HD1 LEU 35 -3.581 0.917 -1.394 250 HD21 LEU 35 3HD2 LEU 35 -6.465 0.511 -3.755 251 HD22 LEU 35 1HD2 LEU 35 -5.834 1.728 -4.863 252 HD23 LEU 35 2HD2 LEU 35 -6.323 2.191 -3.233 253 H VAL 36 H VAL 36 -1.502 3.441 -5.843 254 HA VAL 36 HA VAL 36 -0.761 5.921 -4.505 255 HB VAL 36 HB VAL 36 0.847 4.201 -6.400 256 HG11 VAL 36 1HG1 VAL 36 1.495 6.616 -6.300 257 HG12 VAL 36 2HG1 VAL 36 2.753 5.498 -5.776 258 HG13 VAL 36 3HG1 VAL 36 1.820 6.397 -4.581 259 HG21 VAL 36 3HG2 VAL 36 0.092 3.486 -3.919 260 HG22 VAL 36 1HG2 VAL 36 1.555 4.396 -3.539 261 HG23 VAL 36 2HG2 VAL 36 1.632 3.020 -4.640 262 H GLY 37 H GLY 37 -1.286 4.720 -7.814 263 HA2 GLY 37 1HA GLY 37 -0.559 7.086 -9.153 264 HA3 GLY 37 2HA GLY 37 -1.614 5.838 -9.793 265 H ALA 38 H ALA 38 -3.611 6.103 -7.707 266 HA ALA 38 HA ALA 38 -4.835 8.608 -8.638 267 HB1 ALA 38 3HB ALA 38 -6.982 7.516 -7.895 268 HB2 ALA 38 1HB ALA 38 -6.047 6.039 -7.653 269 HB3 ALA 38 2HB ALA 38 -6.163 6.756 -9.260 270 H HIS 39 H HIS 39 -4.286 6.699 -5.700 271 HA HIS 39 HA HIS 39 -4.249 7.222 -3.509 272 HB2 HIS 39 1HB HIS 39 -3.983 10.003 -4.636 273 HB3 HIS 39 2HB HIS 39 -3.978 9.666 -2.919 274 HD1 HIS 39 HD1 HIS 39 -1.640 10.625 -5.140 275 HD2 HIS 39 HD2 HIS 39 -1.869 7.231 -2.752 276 HE1 HIS 39 HE1 HIS 39 0.731 9.833 -4.869 277 HE2 HIS 39 HE2 HIS 39 0.560 7.731 -3.490 278 HA PRO 40 HA PRO 40 -8.853 8.390 -4.213 279 HB2 PRO 40 1HB PRO 40 -9.675 5.955 -3.144 280 HB3 PRO 40 2HB PRO 40 -9.663 6.375 -4.857 281 HG2 PRO 40 1HG PRO 40 -7.691 4.805 -3.268 282 HG3 PRO 40 2HG PRO 40 -8.213 4.583 -4.948 283 HD2 PRO 40 1HD PRO 40 -5.841 5.682 -4.350 284 HD3 PRO 40 2HD PRO 40 -6.801 6.246 -5.736 285 H ALA 41 H ALA 41 -6.831 7.022 -1.717 286 HA ALA 41 HA ALA 41 -8.530 7.282 0.488 287 HB1 ALA 41 3HB ALA 41 -5.618 7.838 0.782 288 HB2 ALA 41 1HB ALA 41 -6.128 6.242 0.229 289 HB3 ALA 41 2HB ALA 41 -6.686 6.856 1.785 290 H LEU 42 H LEU 42 -6.507 9.627 -1.188 291 HA LEU 42 HA LEU 42 -7.663 11.740 0.510 292 HB2 LEU 42 1HB LEU 42 -5.593 13.065 -0.088 293 HB3 LEU 42 2HB LEU 42 -5.380 11.733 1.031 294 HG LEU 42 HG LEU 42 -4.532 10.343 -0.857 295 HD11 LEU 42 1HD1 LEU 42 -3.743 11.686 -2.867 296 HD12 LEU 42 2HD1 LEU 42 -4.886 12.925 -2.348 297 HD13 LEU 42 3HD1 LEU 42 -5.463 11.316 -2.777 298 HD21 LEU 42 3HD2 LEU 42 -3.069 11.609 0.714 299 HD22 LEU 42 1HD2 LEU 42 -3.001 12.907 -0.478 300 HD23 LEU 42 2HD2 LEU 42 -2.349 11.317 -0.871 301 H GLU 43 H GLU 43 -7.902 10.398 -2.456 302 HA GLU 43 HA GLU 43 -8.676 12.956 -3.673 303 HB2 GLU 43 1HB GLU 43 -6.442 11.795 -4.485 304 HB3 GLU 43 2HB GLU 43 -7.556 10.790 -5.400 305 HG2 GLU 43 1HG GLU 43 -8.493 12.783 -6.450 306 HG3 GLU 43 2HG GLU 43 -7.370 13.791 -5.535 307 H SER 44 H SER 44 -10.807 12.294 -2.894 308 HA SER 44 HA SER 44 -12.030 9.953 -4.061 309 HB2 SER 44 1HB SER 44 -14.016 10.586 -2.835 310 HB3 SER 44 2HB SER 44 -12.619 10.791 -1.777 311 HG SER 44 HG SER 44 -12.730 12.987 -2.067 312 H ARG 45 H ARG 45 -12.278 13.472 -4.464 313 HA ARG 45 HA ARG 45 -12.966 13.203 -7.218 314 HB2 ARG 45 1HB ARG 45 -15.120 13.102 -5.426 315 HB3 ARG 45 2HB ARG 45 -15.135 14.739 -6.069 316 HG2 ARG 45 1HG ARG 45 -15.830 14.069 -8.085 317 HG3 ARG 45 2HG ARG 45 -14.750 12.673 -8.104 318 HD2 ARG 45 1HD ARG 45 -16.789 11.626 -8.030 319 HD3 ARG 45 2HD ARG 45 -16.424 11.746 -6.311 320 HE ARG 45 HE ARG 45 -17.934 13.969 -7.346 321 HH11 ARG 45 1HH1 ARG 45 -18.136 10.750 -5.984 322 HH12 ARG 45 2HH1 ARG 45 -19.754 10.963 -5.405 323 HH21 ARG 45 1HH2 ARG 45 -20.071 14.242 -6.580 324 HH22 ARG 45 2HH2 ARG 45 -20.850 12.941 -5.742 325 H VAL 46 H VAL 46 -11.392 14.633 -7.748 326 HA VAL 46 HA VAL 46 -11.634 17.361 -6.653 327 HB VAL 46 HB VAL 46 -9.103 16.103 -7.735 328 HG11 VAL 46 1HG1 VAL 46 -7.983 18.037 -6.813 329 HG12 VAL 46 2HG1 VAL 46 -9.507 18.649 -6.168 330 HG13 VAL 46 3HG1 VAL 46 -9.258 18.564 -7.911 331 HG21 VAL 46 3HG2 VAL 46 -10.232 16.209 -4.978 332 HG22 VAL 46 1HG2 VAL 46 -8.487 16.357 -5.193 333 HG23 VAL 46 2HG2 VAL 46 -9.328 14.922 -5.781 334 H PHE 47 H PHE 47 -9.973 15.904 -9.448 335 HA PHE 47 HA PHE 47 -11.709 17.061 -11.386 336 HB2 PHE 47 1HB PHE 47 -9.244 18.548 -10.614 337 HB3 PHE 47 2HB PHE 47 -9.613 18.441 -12.330 338 HD1 PHE 47 HD1 PHE 47 -12.432 18.732 -12.555 339 HD2 PHE 47 HD2 PHE 47 -9.787 20.624 -9.807 340 HE1 PHE 47 HE1 PHE 47 -14.015 20.602 -12.322 341 HE2 PHE 47 HE2 PHE 47 -11.368 22.494 -9.569 342 HZ PHE 47 HZ PHE 47 -13.484 22.485 -10.825 343 H GLY 48 H GLY 48 -8.397 15.963 -10.759 344 HA2 GLY 48 1HA GLY 48 -8.665 13.809 -12.646 345 HA3 GLY 48 2HA GLY 48 -7.561 15.066 -13.187 346 H ASP 49 H ASP 49 -6.252 15.820 -10.978 347 HA ASP 49 HA ASP 49 -5.409 13.791 -9.235 348 HB2 ASP 49 1HB ASP 49 -3.097 13.449 -10.191 349 HB3 ASP 49 2HB ASP 49 -4.395 12.692 -11.109 350 H ASP 50 H ASP 50 -3.836 14.515 -7.749 351 HA ASP 50 HA ASP 50 -3.759 17.350 -7.429 352 HB2 ASP 50 1HB ASP 50 -2.674 15.009 -5.910 353 HB3 ASP 50 2HB ASP 50 -2.083 16.622 -5.531 354 H GLY 51 H GLY 51 -1.554 14.975 -8.748 355 HA2 GLY 51 1HA GLY 51 0.281 15.348 -10.114 356 HA3 GLY 51 2HA GLY 51 0.103 17.072 -9.829 357 H GLU 52 H GLU 52 1.980 14.368 -9.211 358 HA GLU 52 HA GLU 52 3.170 15.531 -6.793 359 HB2 GLU 52 1HB GLU 52 2.487 13.117 -6.781 360 HB3 GLU 52 2HB GLU 52 3.711 12.818 -8.007 361 HG2 GLU 52 1HG GLU 52 5.212 14.054 -6.155 362 HG3 GLU 52 2HG GLU 52 4.001 13.306 -5.116 363 H LEU 53 H LEU 53 5.210 16.301 -6.749 364 HA LEU 53 HA LEU 53 6.833 16.033 -9.191 365 HB2 LEU 53 1HB LEU 53 7.685 18.358 -8.693 366 HB3 LEU 53 2HB LEU 53 6.045 18.243 -9.299 367 HG LEU 53 HG LEU 53 5.791 18.203 -6.508 368 HD11 LEU 53 1HD1 LEU 53 7.212 19.672 -5.571 369 HD12 LEU 53 2HD1 LEU 53 7.311 20.669 -7.021 370 HD13 LEU 53 3HD1 LEU 53 8.266 19.192 -6.900 371 HD21 LEU 53 3HD2 LEU 53 4.543 19.369 -8.545 372 HD22 LEU 53 1HD2 LEU 53 5.475 20.755 -7.980 373 HD23 LEU 53 2HD2 LEU 53 4.367 19.931 -6.884 374 H TYR 54 H TYR 54 6.901 16.761 -5.706 375 HA TYR 54 HA TYR 54 9.234 15.108 -5.367 376 HB2 TYR 54 1HB TYR 54 9.535 17.954 -5.664 377 HB3 TYR 54 2HB TYR 54 9.983 17.484 -4.029 378 HD1 TYR 54 HD1 TYR 54 11.734 15.662 -3.736 379 HD2 TYR 54 HD2 TYR 54 10.994 17.567 -7.470 380 HE1 TYR 54 HE1 TYR 54 13.928 14.912 -4.550 381 HE2 TYR 54 HE2 TYR 54 13.186 16.820 -8.291 382 HH TYR 54 HH TYR 54 14.805 14.641 -7.504 383 H ASP 55 H ASP 55 8.620 13.903 -3.692 384 HA ASP 55 HA ASP 55 7.754 15.208 -1.231 385 HB2 ASP 55 1HB ASP 55 5.749 14.458 -2.721 386 HB3 ASP 55 2HB ASP 55 6.183 12.836 -2.194 387 H HIS 56 H HIS 56 8.417 14.166 0.603 388 HA HIS 56 HA HIS 56 10.002 11.722 0.204 389 HB2 HIS 56 1HB HIS 56 10.784 14.056 1.356 390 HB3 HIS 56 2HB HIS 56 10.237 13.165 2.773 391 HD1 HIS 56 HD1 HIS 56 11.550 10.985 3.376 392 HD2 HIS 56 HD2 HIS 56 13.147 13.152 0.210 393 HE1 HIS 56 HE1 HIS 56 13.866 10.069 3.035 394 HE2 HIS 56 HE2 HIS 56 14.770 11.316 1.040 395 H ILE 57 H ILE 57 9.344 9.857 1.045 396 HA ILE 57 HA ILE 57 7.698 9.771 3.430 397 HB ILE 57 HB ILE 57 6.047 8.216 2.348 398 HG12 ILE 57 1HG1 ILE 57 5.975 9.044 -0.275 399 HG13 ILE 57 2HG1 ILE 57 7.702 8.872 0.014 400 HG21 ILE 57 1HG2 ILE 57 5.875 10.926 1.085 401 HG22 ILE 57 2HG2 ILE 57 5.739 10.719 2.831 402 HG23 ILE 57 3HG2 ILE 57 4.587 9.927 1.757 403 HD11 ILE 57 3HD1 ILE 57 7.241 6.769 -0.669 404 HD12 ILE 57 1HD1 ILE 57 5.579 6.817 -0.081 405 HD13 ILE 57 2HD1 ILE 57 6.908 6.564 1.051 406 H ASN 58 H ASN 58 8.197 8.042 4.636 407 HA ASN 58 HA ASN 58 10.120 6.150 3.551 408 HB2 ASN 58 1HB ASN 58 9.361 7.115 6.233 409 HB3 ASN 58 2HB ASN 58 9.804 5.412 6.152 410 HD21 ASN 58 2HD2 ASN 58 11.471 6.488 7.641 411 HD22 ASN 58 1HD2 ASN 58 12.938 6.989 6.881 412 H VAL 59 H VAL 59 9.807 3.927 3.443 413 HA VAL 59 HA VAL 59 7.171 2.889 4.195 414 HB VAL 59 HB VAL 59 7.027 3.566 1.825 415 HG11 VAL 59 1HG1 VAL 59 9.469 3.145 1.350 416 HG12 VAL 59 2HG1 VAL 59 8.339 2.600 0.111 417 HG13 VAL 59 3HG1 VAL 59 9.062 1.435 1.220 418 HG21 VAL 59 3HG2 VAL 59 6.977 0.580 2.244 419 HG22 VAL 59 1HG2 VAL 59 6.165 1.452 0.945 420 HG23 VAL 59 2HG2 VAL 59 5.674 1.707 2.618 421 H LEU 60 H LEU 60 7.077 0.618 4.509 422 HA LEU 60 HA LEU 60 9.708 -0.694 4.743 423 HB2 LEU 60 1HB LEU 60 8.131 -0.118 6.809 424 HB3 LEU 60 2HB LEU 60 7.363 -1.618 6.330 425 HG LEU 60 HG LEU 60 8.951 -2.068 8.078 426 HD11 LEU 60 1HD1 LEU 60 10.442 -3.046 5.698 427 HD12 LEU 60 2HD1 LEU 60 8.758 -3.533 5.898 428 HD13 LEU 60 3HD1 LEU 60 9.940 -3.906 7.154 429 HD21 LEU 60 3HD2 LEU 60 10.418 -0.197 7.913 430 HD22 LEU 60 1HD2 LEU 60 10.935 -0.669 6.295 431 HD23 LEU 60 2HD2 LEU 60 11.384 -1.653 7.686 432 H ARG 61 H ARG 61 10.016 -2.521 3.622 433 HA ARG 61 HA ARG 61 7.715 -3.692 2.223 434 HB2 ARG 61 1HB ARG 61 10.679 -3.762 1.679 435 HB3 ARG 61 2HB ARG 61 9.555 -4.839 0.866 436 HG2 ARG 61 1HG ARG 61 8.660 -3.186 -0.407 437 HG3 ARG 61 2HG ARG 61 8.938 -1.943 0.814 438 HD2 ARG 61 1HD ARG 61 11.481 -2.836 0.042 439 HD3 ARG 61 2HD ARG 61 10.557 -2.684 -1.450 440 HE ARG 61 HE ARG 61 10.548 -0.407 -1.182 441 HH11 ARG 61 1HH1 ARG 61 11.561 -1.895 1.820 442 HH12 ARG 61 2HH1 ARG 61 12.043 -0.399 2.545 443 HH21 ARG 61 1HH2 ARG 61 11.188 1.566 -0.221 444 HH22 ARG 61 2HH2 ARG 61 11.832 1.565 1.387 445 H ASN 62 H ASN 62 7.290 -5.899 2.268 446 HA ASN 62 HA ASN 62 7.742 -7.250 4.680 447 HB2 ASN 62 1HB ASN 62 6.004 -7.601 2.666 448 HB3 ASN 62 2HB ASN 62 7.149 -8.874 2.260 449 HD21 ASN 62 2HD2 ASN 62 7.675 -10.415 3.993 450 HD22 ASN 62 1HD2 ASN 62 6.431 -10.842 5.113 451 H GLY 63 H GLY 63 9.728 -7.018 1.858 452 HA2 GLY 63 1HA GLY 63 12.069 -7.637 2.127 453 HA3 GLY 63 2HA GLY 63 11.528 -9.058 3.006 454 H GLU 64 H GLU 64 9.822 -8.101 0.131 455 HA GLU 64 HA GLU 64 10.749 -10.530 -1.190 456 HB2 GLU 64 1HB GLU 64 8.247 -9.549 -0.890 457 HB3 GLU 64 2HB GLU 64 8.665 -8.854 -2.449 458 HG2 GLU 64 1HG GLU 64 8.869 -10.922 -3.467 459 HG3 GLU 64 2HG GLU 64 9.082 -11.768 -1.933 460 H ALA 65 H ALA 65 11.130 -10.452 -3.529 461 HA ALA 65 HA ALA 65 12.711 -8.083 -4.227 462 HB1 ALA 65 3HB ALA 65 14.151 -9.808 -4.559 463 HB2 ALA 65 1HB ALA 65 13.388 -9.800 -6.148 464 HB3 ALA 65 2HB ALA 65 12.866 -10.960 -4.926 465 H ALA 66 H ALA 66 11.413 -6.619 -5.180 466 HA ALA 66 HA ALA 66 9.937 -5.641 -6.610 467 HB1 ALA 66 3HB ALA 66 10.411 -5.948 -8.859 468 HB2 ALA 66 1HB ALA 66 10.733 -7.670 -8.661 469 HB3 ALA 66 2HB ALA 66 11.893 -6.483 -8.066 470 H ALA 67 H ALA 67 8.138 -6.497 -5.295 471 HA ALA 67 HA ALA 67 6.673 -8.758 -6.388 472 HB1 ALA 67 3HB ALA 67 6.035 -6.911 -4.085 473 HB2 ALA 67 1HB ALA 67 6.752 -8.519 -3.974 474 HB3 ALA 67 2HB ALA 67 5.093 -8.330 -4.542 475 H LEU 68 H LEU 68 4.900 -8.628 -7.678 476 HA LEU 68 HA LEU 68 3.327 -6.241 -7.885 477 HB2 LEU 68 1HB LEU 68 5.561 -6.501 -9.596 478 HB3 LEU 68 2HB LEU 68 4.139 -6.771 -10.579 479 HG LEU 68 HG LEU 68 4.111 -4.405 -8.783 480 HD11 LEU 68 1HD1 LEU 68 6.404 -4.538 -9.880 481 HD12 LEU 68 2HD1 LEU 68 5.471 -3.062 -10.137 482 HD13 LEU 68 3HD1 LEU 68 5.559 -4.281 -11.408 483 HD21 LEU 68 3HD2 LEU 68 3.371 -4.305 -11.643 484 HD22 LEU 68 1HD2 LEU 68 2.559 -3.621 -10.234 485 HD23 LEU 68 2HD2 LEU 68 2.385 -5.336 -10.607 486 H GLY 69 H GLY 69 4.096 -8.849 -10.205 487 HA2 GLY 69 1HA GLY 69 1.250 -9.433 -10.443 488 HA3 GLY 69 2HA GLY 69 2.533 -10.075 -11.454 489 H GLU 70 H GLU 70 1.856 -10.144 -7.945 490 HA GLU 70 HA GLU 70 1.451 -12.992 -7.986 491 HB2 GLU 70 1HB GLU 70 4.015 -12.467 -8.003 492 HB3 GLU 70 2HB GLU 70 3.760 -12.087 -6.305 493 HG2 GLU 70 1HG GLU 70 3.138 -14.280 -5.787 494 HG3 GLU 70 2HG GLU 70 2.879 -14.699 -7.479 495 H ALA 71 H ALA 71 -0.543 -11.907 -7.134 496 HA ALA 71 HA ALA 71 -0.620 -10.580 -4.664 497 HB1 ALA 71 3HB ALA 71 -2.709 -10.341 -5.377 498 HB2 ALA 71 1HB ALA 71 -3.022 -12.003 -4.884 499 HB3 ALA 71 2HB ALA 71 -2.517 -11.653 -6.537 500 H THR 72 H THR 72 -0.385 -13.979 -5.437 501 HA THR 72 HA THR 72 -0.872 -14.737 -2.658 502 HB THR 72 HB THR 72 -0.377 -17.092 -3.828 503 HG1 THR 72 HG1 THR 72 -1.575 -15.716 -5.971 504 HG21 THR 72 3HG2 THR 72 -2.452 -16.903 -2.846 505 HG22 THR 72 1HG2 THR 72 -2.848 -17.097 -4.554 506 HG23 THR 72 2HG2 THR 72 -2.899 -15.498 -3.814 507 H ALA 73 H ALA 73 1.492 -13.221 -3.214 508 HA ALA 73 HA ALA 73 3.688 -15.140 -3.097 509 HB1 ALA 73 3HB ALA 73 3.483 -12.198 -3.534 510 HB2 ALA 73 1HB ALA 73 4.340 -13.419 -4.471 511 HB3 ALA 73 2HB ALA 73 4.996 -12.868 -2.933 512 H ALA 74 H ALA 74 5.512 -14.196 -1.473 513 HA ALA 74 HA ALA 74 4.691 -14.884 1.099 514 HB1 ALA 74 3HB ALA 74 7.041 -13.091 0.779 515 HB2 ALA 74 1HB ALA 74 7.073 -14.674 -0.000 516 HB3 ALA 74 2HB ALA 74 6.856 -14.555 1.746 517 H GLY 75 H GLY 75 4.871 -11.725 -0.453 518 HA2 GLY 75 1HA GLY 75 2.929 -10.460 0.959 519 HA3 GLY 75 2HA GLY 75 4.345 -10.273 1.985 520 H ASP 76 H ASP 76 2.900 -8.131 0.783 521 HA ASP 76 HA ASP 76 4.646 -7.234 -1.380 522 HB2 ASP 76 1HB ASP 76 2.123 -7.004 -1.527 523 HB3 ASP 76 2HB ASP 76 2.259 -5.749 -0.292 524 H GLU 77 H GLU 77 3.246 -5.619 1.478 525 HA GLU 77 HA GLU 77 5.907 -4.656 2.182 526 HB2 GLU 77 1HB GLU 77 4.975 -2.322 2.496 527 HB3 GLU 77 2HB GLU 77 5.202 -2.844 0.834 528 HG2 GLU 77 1HG GLU 77 2.639 -3.581 1.227 529 HG3 GLU 77 2HG GLU 77 2.740 -2.186 2.298 530 H LEU 78 H LEU 78 5.580 -3.125 4.257 531 HA LEU 78 HA LEU 78 3.866 -4.663 6.103 532 HB2 LEU 78 1HB LEU 78 6.625 -3.593 6.326 533 HB3 LEU 78 2HB LEU 78 5.633 -3.518 7.769 534 HG LEU 78 HG LEU 78 6.360 -6.010 6.225 535 HD11 LEU 78 1HD1 LEU 78 7.364 -4.721 8.709 536 HD12 LEU 78 2HD1 LEU 78 8.241 -5.586 7.447 537 HD13 LEU 78 3HD1 LEU 78 7.301 -6.482 8.639 538 HD21 LEU 78 3HD2 LEU 78 5.277 -7.081 8.313 539 HD22 LEU 78 1HD2 LEU 78 4.231 -6.491 7.023 540 HD23 LEU 78 2HD2 LEU 78 4.453 -5.531 8.485 541 H ALA 79 H ALA 79 5.223 -1.428 5.485 542 HA ALA 79 HA ALA 79 2.731 -0.173 6.178 543 HB1 ALA 79 3HB ALA 79 3.530 1.154 8.029 544 HB2 ALA 79 1HB ALA 79 5.132 0.429 7.907 545 HB3 ALA 79 2HB ALA 79 3.754 -0.554 8.406 546 H LEU 80 H LEU 80 2.981 2.298 6.059 547 HA LEU 80 HA LEU 80 5.238 3.254 4.519 548 HB2 LEU 80 1HB LEU 80 3.676 2.209 2.855 549 HB3 LEU 80 2HB LEU 80 2.473 3.395 3.317 550 HG LEU 80 HG LEU 80 5.110 4.449 2.461 551 HD11 LEU 80 1HD1 LEU 80 3.179 3.681 0.322 552 HD12 LEU 80 2HD1 LEU 80 4.345 2.495 0.905 553 HD13 LEU 80 3HD1 LEU 80 4.907 4.016 0.213 554 HD21 LEU 80 3HD2 LEU 80 3.343 5.924 1.179 555 HD22 LEU 80 1HD2 LEU 80 3.659 6.162 2.898 556 HD23 LEU 80 2HD2 LEU 80 2.245 5.246 2.379 557 H PHE 81 H PHE 81 5.623 4.764 6.077 558 HA PHE 81 HA PHE 81 3.604 6.892 6.331 559 HB2 PHE 81 1HB PHE 81 4.333 7.191 8.712 560 HB3 PHE 81 2HB PHE 81 3.492 5.678 8.402 561 HD1 PHE 81 HD2 PHE 81 6.856 7.162 8.868 562 HD2 PHE 81 HD1 PHE 81 4.496 3.619 8.896 563 HE1 PHE 81 HE2 PHE 81 8.737 5.922 9.852 564 HE2 PHE 81 HE1 PHE 81 6.374 2.374 9.883 565 HZ PHE 81 HZ PHE 81 8.498 3.524 10.360 566 HA PRO 82 HA PRO 82 6.948 9.570 5.220 567 HB2 PRO 82 1HB PRO 82 5.998 11.933 6.130 568 HB3 PRO 82 2HB PRO 82 5.327 11.122 4.709 569 HG2 PRO 82 1HG PRO 82 4.306 11.164 7.524 570 HG3 PRO 82 2HG PRO 82 3.407 11.331 6.004 571 HD2 PRO 82 1HD PRO 82 3.526 9.001 7.399 572 HD3 PRO 82 2HD PRO 82 3.365 9.062 5.633 573 HA PRO 83 HA PRO 83 9.697 9.949 8.666 574 HB2 PRO 83 1HB PRO 83 10.665 12.472 7.453 575 HB3 PRO 83 2HB PRO 83 11.555 10.995 7.834 576 HG2 PRO 83 1HG PRO 83 10.971 11.638 5.313 577 HG3 PRO 83 2HG PRO 83 10.923 9.951 5.861 578 HD2 PRO 83 1HD PRO 83 8.666 11.863 5.396 579 HD3 PRO 83 2HD PRO 83 8.774 10.134 5.008 580 H VAL 84 H VAL 84 10.679 11.963 10.054 581 HA VAL 84 HA VAL 84 8.536 13.854 10.660 582 HB VAL 84 HB VAL 84 8.115 11.947 12.127 583 HG11 VAL 84 1HG1 VAL 84 9.646 10.871 13.379 584 HG12 VAL 84 2HG1 VAL 84 10.539 12.344 13.755 585 HG13 VAL 84 3HG1 VAL 84 10.775 11.540 12.203 586 HG21 VAL 84 3HG2 VAL 84 8.101 14.534 12.842 587 HG22 VAL 84 1HG2 VAL 84 9.197 13.894 14.065 588 HG23 VAL 84 2HG2 VAL 84 7.571 13.230 13.903 589 H SER 85 H SER 85 9.457 15.770 10.500 590 HA SER 85 HA SER 85 10.869 17.526 10.753 591 HB2 SER 85 1HB SER 85 10.764 16.434 13.217 592 HB3 SER 85 2HB SER 85 12.488 16.246 12.888 593 HG SER 85 HG SER 85 10.957 18.621 12.980 594 H GLY 86 H GLY 86 13.463 17.921 11.200 595 HA2 GLY 86 1HA GLY 86 15.636 17.491 10.503 596 HA3 GLY 86 2HA GLY 86 15.102 15.944 9.871 597 H GLY 87 H GLY 87 13.610 19.023 9.036 598 HA2 GLY 87 1HA GLY 87 14.688 18.708 6.299 599 HA3 GLY 87 2HA GLY 87 13.057 19.264 6.636 Start of MODEL 10 1 H1 MET 1 1H MET 1 1.951 -10.158 3.870 2 H2 MET 1 2H MET 1 1.251 -9.440 5.263 3 H3 MET 1 3H MET 1 1.972 -8.456 4.057 4 HA MET 1 HA MET 1 0.319 -8.988 2.506 5 HB2 MET 1 1HB MET 1 -0.162 -11.143 4.474 6 HB3 MET 1 2HB MET 1 -1.609 -10.461 3.751 7 HG2 MET 1 1HG MET 1 -1.289 -11.614 1.894 8 HG3 MET 1 2HG MET 1 0.334 -10.958 1.711 9 HE1 MET 1 3HE MET 1 -0.568 -14.935 1.585 10 HE2 MET 1 1HE MET 1 -1.706 -13.593 1.696 11 HE3 MET 1 2HE MET 1 -1.427 -14.630 3.096 12 H GLU 2 H GLU 2 0.734 -6.812 4.003 13 HA GLU 2 HA GLU 2 -1.969 -5.990 4.731 14 HB2 GLU 2 1HB GLU 2 0.375 -5.485 6.567 15 HB3 GLU 2 2HB GLU 2 -1.302 -5.031 6.843 16 HG2 GLU 2 1HG GLU 2 -1.917 -7.402 6.934 17 HG3 GLU 2 2HG GLU 2 -0.224 -7.839 6.694 18 H TRP 3 H TRP 3 -2.207 -3.652 4.915 19 HA TRP 3 HA TRP 3 -0.069 -2.046 3.727 20 HB2 TRP 3 1HB TRP 3 -2.895 -2.104 2.629 21 HB3 TRP 3 2HB TRP 3 -1.593 -1.060 2.074 22 HD1 TRP 3 HD TRP 3 -2.409 -4.851 2.231 23 HE1 TRP 3 HE1 TRP 3 -1.300 -5.985 0.204 24 HE3 TRP 3 HE3 TRP 3 0.037 -0.809 0.283 25 HZ2 TRP 3 HZ2 TRP 3 0.384 -5.254 -1.942 26 HZ3 TRP 3 HZ3 TRP 3 1.375 -1.113 -1.758 27 HH2 TRP 3 HH TRP 3 1.545 -3.290 -2.843 28 H LYS 4 H LYS 4 0.108 -0.135 4.742 29 HA LYS 4 HA LYS 4 -2.237 0.937 6.172 30 HB2 LYS 4 1HB LYS 4 0.277 0.046 7.283 31 HB3 LYS 4 2HB LYS 4 0.049 1.761 7.595 32 HG2 LYS 4 1HG LYS 4 -2.401 0.744 8.229 33 HG3 LYS 4 2HG LYS 4 -1.320 -0.560 8.722 34 HD2 LYS 4 1HD LYS 4 -0.562 2.204 9.490 35 HD3 LYS 4 2HD LYS 4 -1.936 1.477 10.327 36 HE2 LYS 4 1HE LYS 4 -0.642 -0.237 11.225 37 HE3 LYS 4 2HE LYS 4 0.642 -0.020 10.034 38 HZ1 LYS 4 3HZ LYS 4 0.138 2.267 11.747 39 HZ2 LYS 4 1HZ LYS 4 1.607 1.587 11.248 40 HZ3 LYS 4 2HZ LYS 4 0.752 0.903 12.537 41 H LEU 5 H LEU 5 -2.338 3.228 6.331 42 HA LEU 5 HA LEU 5 -0.416 4.677 4.627 43 HB2 LEU 5 1HB LEU 5 -3.406 4.729 4.602 44 HB3 LEU 5 2HB LEU 5 -2.523 6.178 4.170 45 HG LEU 5 HG LEU 5 -3.102 5.016 2.156 46 HD11 LEU 5 1HD1 LEU 5 -1.107 5.224 1.131 47 HD12 LEU 5 2HD1 LEU 5 -0.278 4.187 2.290 48 HD13 LEU 5 3HD1 LEU 5 -0.616 5.870 2.696 49 HD21 LEU 5 3HD2 LEU 5 -2.749 2.705 3.703 50 HD22 LEU 5 1HD2 LEU 5 -1.550 2.618 2.414 51 HD23 LEU 5 2HD2 LEU 5 -3.258 2.809 2.019 52 H PHE 6 H PHE 6 0.137 6.757 5.250 53 HA PHE 6 HA PHE 6 -0.227 7.342 8.057 54 HB2 PHE 6 1HB PHE 6 1.902 7.646 6.520 55 HB3 PHE 6 2HB PHE 6 1.173 9.211 6.183 56 HD1 PHE 6 HD1 PHE 6 1.310 7.255 9.355 57 HD2 PHE 6 HD2 PHE 6 2.492 10.770 7.263 58 HE1 PHE 6 HE1 PHE 6 2.298 8.151 11.421 59 HE2 PHE 6 HE2 PHE 6 3.481 11.669 9.328 60 HZ PHE 6 HZ PHE 6 3.386 10.358 11.410 61 H ALA 7 H ALA 7 -0.476 9.849 8.548 62 HA ALA 7 HA ALA 7 -3.113 10.558 8.124 63 HB1 ALA 7 3HB ALA 7 -0.845 12.467 8.666 64 HB2 ALA 7 1HB ALA 7 -1.684 11.510 9.888 65 HB3 ALA 7 2HB ALA 7 -2.558 12.745 8.981 66 H ASP 8 H ASP 8 -0.310 11.252 6.115 67 HA ASP 8 HA ASP 8 -1.216 13.324 4.545 68 HB2 ASP 8 1HB ASP 8 0.929 11.595 4.435 69 HB3 ASP 8 2HB ASP 8 0.044 11.195 2.969 70 H LEU 9 H LEU 9 -2.130 9.936 4.439 71 HA LEU 9 HA LEU 9 -4.020 10.509 2.258 72 HB2 LEU 9 1HB LEU 9 -3.252 7.759 3.193 73 HB3 LEU 9 2HB LEU 9 -3.977 8.225 1.669 74 HG LEU 9 HG LEU 9 -1.790 7.684 1.087 75 HD11 LEU 9 1HD1 LEU 9 -2.611 10.207 0.670 76 HD12 LEU 9 2HD1 LEU 9 -1.094 9.556 0.051 77 HD13 LEU 9 3HD1 LEU 9 -1.105 10.513 1.531 78 HD21 LEU 9 3HD2 LEU 9 0.131 8.001 2.343 79 HD22 LEU 9 1HD2 LEU 9 -1.091 7.684 3.574 80 HD23 LEU 9 2HD2 LEU 9 -0.564 9.337 3.259 81 H ALA 10 H ALA 10 -3.739 9.254 5.539 82 HA ALA 10 HA ALA 10 -6.506 8.447 5.689 83 HB1 ALA 10 3HB ALA 10 -4.279 8.575 7.699 84 HB2 ALA 10 1HB ALA 10 -5.045 7.153 6.991 85 HB3 ALA 10 2HB ALA 10 -5.930 8.148 8.148 86 H GLU 11 H GLU 11 -5.104 11.464 5.717 87 HA GLU 11 HA GLU 11 -6.465 12.705 7.882 88 HB2 GLU 11 1HB GLU 11 -4.515 13.749 6.869 89 HB3 GLU 11 2HB GLU 11 -5.343 13.871 5.323 90 HG2 GLU 11 1HG GLU 11 -6.824 15.521 6.147 91 HG3 GLU 11 2HG GLU 11 -6.318 15.241 7.812 92 H VAL 12 H VAL 12 -7.298 12.059 4.526 93 HA VAL 12 HA VAL 12 -9.810 13.526 4.780 94 HB VAL 12 HB VAL 12 -8.781 12.042 2.363 95 HG11 VAL 12 1HG1 VAL 12 -11.226 12.628 2.513 96 HG12 VAL 12 2HG1 VAL 12 -10.367 13.281 1.120 97 HG13 VAL 12 3HG1 VAL 12 -10.738 14.323 2.494 98 HG21 VAL 12 3HG2 VAL 12 -8.152 14.756 3.415 99 HG22 VAL 12 1HG2 VAL 12 -8.295 14.536 1.671 100 HG23 VAL 12 2HG2 VAL 12 -7.114 13.598 2.584 101 H ALA 13 H ALA 13 -8.712 10.223 3.964 102 HA ALA 13 HA ALA 13 -11.369 9.161 3.941 103 HB1 ALA 13 3HB ALA 13 -9.426 8.233 2.649 104 HB2 ALA 13 1HB ALA 13 -10.372 7.045 3.544 105 HB3 ALA 13 2HB ALA 13 -8.815 7.585 4.172 106 H GLY 14 H GLY 14 -8.746 9.250 6.314 107 HA2 GLY 14 1HA GLY 14 -9.109 9.254 8.652 108 HA3 GLY 14 2HA GLY 14 -10.676 8.508 8.389 109 H SER 15 H SER 15 -9.354 6.536 6.502 110 HA SER 15 HA SER 15 -7.516 5.011 8.065 111 HB2 SER 15 1HB SER 15 -9.975 4.673 9.034 112 HB3 SER 15 2HB SER 15 -10.085 3.537 7.691 113 HG SER 15 HG SER 15 -8.579 3.408 10.011 114 H ARG 16 H ARG 16 -6.274 4.840 6.245 115 HA ARG 16 HA ARG 16 -7.470 3.585 3.875 116 HB2 ARG 16 1HB ARG 16 -5.424 5.603 4.288 117 HB3 ARG 16 2HB ARG 16 -4.825 4.294 3.282 118 HG2 ARG 16 1HG ARG 16 -7.272 5.969 2.774 119 HG3 ARG 16 2HG ARG 16 -5.741 6.035 1.901 120 HD2 ARG 16 1HD ARG 16 -6.493 3.365 1.769 121 HD3 ARG 16 2HD ARG 16 -8.002 4.253 1.557 122 HE ARG 16 HE ARG 16 -5.829 5.220 -0.067 123 HH11 ARG 16 1HH1 ARG 16 -8.466 2.917 0.118 124 HH12 ARG 16 2HH1 ARG 16 -8.622 2.776 -1.600 125 HH21 ARG 16 1HH2 ARG 16 -6.041 5.024 -2.330 126 HH22 ARG 16 2HH2 ARG 16 -7.248 3.969 -2.988 127 H THR 17 H THR 17 -6.744 2.121 6.357 128 HA THR 17 HA THR 17 -4.445 0.533 5.528 129 HB THR 17 HB THR 17 -4.456 -0.427 7.694 130 HG1 THR 17 HG1 THR 17 -6.509 -0.967 8.123 131 HG21 THR 17 3HG2 THR 17 -4.137 1.349 9.102 132 HG22 THR 17 1HG2 THR 17 -5.503 2.256 8.449 133 HG23 THR 17 2HG2 THR 17 -4.006 2.132 7.526 134 H VAL 18 H VAL 18 -4.560 -1.457 4.663 135 HA VAL 18 HA VAL 18 -7.116 -2.899 4.700 136 HB VAL 18 HB VAL 18 -5.549 -2.755 2.140 137 HG11 VAL 18 1HG1 VAL 18 -7.972 -3.112 1.291 138 HG12 VAL 18 2HG1 VAL 18 -8.305 -3.581 2.959 139 HG13 VAL 18 3HG1 VAL 18 -7.104 -4.464 2.017 140 HG21 VAL 18 3HG2 VAL 18 -7.732 -0.844 2.973 141 HG22 VAL 18 1HG2 VAL 18 -7.056 -0.977 1.350 142 HG23 VAL 18 2HG2 VAL 18 -6.040 -0.437 2.686 143 H ARG 19 H ARG 19 -6.904 -5.183 4.079 144 HA ARG 19 HA ARG 19 -4.182 -6.240 4.482 145 HB2 ARG 19 1HB ARG 19 -5.121 -8.090 5.772 146 HB3 ARG 19 2HB ARG 19 -5.513 -6.550 6.521 147 HG2 ARG 19 1HG ARG 19 -7.742 -6.743 5.240 148 HG3 ARG 19 2HG ARG 19 -7.307 -8.443 5.054 149 HD2 ARG 19 1HD ARG 19 -6.907 -8.332 7.629 150 HD3 ARG 19 2HD ARG 19 -7.936 -6.902 7.538 151 HE ARG 19 HE ARG 19 -9.048 -9.210 6.232 152 HH11 ARG 19 1HH1 ARG 19 -8.730 -7.539 9.294 153 HH12 ARG 19 2HH1 ARG 19 -10.168 -8.233 9.962 154 HH21 ARG 19 1HH2 ARG 19 -10.938 -10.124 7.119 155 HH22 ARG 19 2HH2 ARG 19 -11.421 -9.702 8.727 156 H VAL 20 H VAL 20 -3.543 -7.888 3.153 157 HA VAL 20 HA VAL 20 -5.471 -8.684 1.078 158 HB VAL 20 HB VAL 20 -3.508 -7.473 0.226 159 HG11 VAL 20 1HG1 VAL 20 -1.917 -8.236 1.973 160 HG12 VAL 20 2HG1 VAL 20 -1.290 -8.374 0.333 161 HG13 VAL 20 3HG1 VAL 20 -1.862 -9.807 1.180 162 HG21 VAL 20 3HG2 VAL 20 -4.151 -8.722 -1.524 163 HG22 VAL 20 1HG2 VAL 20 -4.232 -10.202 -0.570 164 HG23 VAL 20 2HG2 VAL 20 -2.681 -9.639 -1.193 165 H ASP 21 H ASP 21 -6.171 -10.698 1.047 166 HA ASP 21 HA ASP 21 -4.536 -12.801 2.297 167 HB2 ASP 21 1HB ASP 21 -7.347 -12.031 2.749 168 HB3 ASP 21 2HB ASP 21 -7.061 -13.757 2.576 169 H VAL 22 H VAL 22 -7.146 -12.148 -0.011 170 HA VAL 22 HA VAL 22 -6.605 -14.664 -1.389 171 HB VAL 22 HB VAL 22 -8.948 -14.067 -0.904 172 HG11 VAL 22 1HG1 VAL 22 -10.030 -12.268 -2.219 173 HG12 VAL 22 2HG1 VAL 22 -8.436 -11.759 -2.778 174 HG13 VAL 22 3HG1 VAL 22 -8.841 -11.665 -1.064 175 HG21 VAL 22 3HG2 VAL 22 -8.272 -15.473 -2.876 176 HG22 VAL 22 1HG2 VAL 22 -8.463 -14.032 -3.876 177 HG23 VAL 22 2HG2 VAL 22 -9.849 -14.696 -3.011 178 H ASP 23 H ASP 23 -6.212 -14.760 -3.655 179 HA ASP 23 HA ASP 23 -4.911 -12.346 -4.730 180 HB2 ASP 23 1HB ASP 23 -3.503 -14.424 -4.252 181 HB3 ASP 23 2HB ASP 23 -4.347 -15.183 -5.595 182 H GLY 24 H GLY 24 -4.968 -12.085 -7.089 183 HA2 GLY 24 1HA GLY 24 -6.662 -13.514 -8.800 184 HA3 GLY 24 2HA GLY 24 -7.598 -12.199 -8.102 185 H ASP 25 H ASP 25 -7.794 -10.660 -9.620 186 HA ASP 25 HA ASP 25 -5.804 -10.206 -11.631 187 HB2 ASP 25 1HB ASP 25 -7.262 -8.293 -12.307 188 HB3 ASP 25 2HB ASP 25 -8.111 -9.831 -12.217 189 H ALA 26 H ALA 26 -6.634 -8.704 -8.570 190 HA ALA 26 HA ALA 26 -5.096 -6.342 -8.915 191 HB1 ALA 26 3HB ALA 26 -6.947 -7.092 -7.123 192 HB2 ALA 26 1HB ALA 26 -5.806 -5.776 -6.842 193 HB3 ALA 26 2HB ALA 26 -5.488 -7.378 -6.175 194 H THR 27 H THR 27 -2.990 -5.918 -8.538 195 HA THR 27 HA THR 27 -1.296 -8.153 -7.642 196 HB THR 27 HB THR 27 0.117 -5.989 -8.986 197 HG1 THR 27 HG1 THR 27 -1.815 -7.418 -10.498 198 HG21 THR 27 3HG2 THR 27 0.923 -7.826 -10.412 199 HG22 THR 27 1HG2 THR 27 -0.145 -8.927 -9.544 200 HG23 THR 27 2HG2 THR 27 1.165 -8.113 -8.689 201 H VAL 28 H VAL 28 0.937 -7.229 -6.800 202 HA VAL 28 HA VAL 28 0.318 -5.737 -4.430 203 HB VAL 28 HB VAL 28 3.015 -6.624 -5.481 204 HG11 VAL 28 1HG1 VAL 28 2.132 -5.380 -2.912 205 HG12 VAL 28 2HG1 VAL 28 3.541 -5.019 -3.910 206 HG13 VAL 28 3HG1 VAL 28 3.505 -6.485 -2.931 207 HG21 VAL 28 3HG2 VAL 28 0.920 -8.216 -4.592 208 HG22 VAL 28 1HG2 VAL 28 1.984 -8.073 -3.195 209 HG23 VAL 28 2HG2 VAL 28 2.615 -8.681 -4.724 210 H GLY 29 H GLY 29 2.131 -5.166 -7.414 211 HA2 GLY 29 1HA GLY 29 2.825 -2.481 -6.630 212 HA3 GLY 29 2HA GLY 29 3.185 -3.240 -8.171 213 H ASP 30 H ASP 30 0.430 -4.071 -8.632 214 HA ASP 30 HA ASP 30 -0.512 -1.800 -10.021 215 HB2 ASP 30 1HB ASP 30 -1.030 -4.063 -10.765 216 HB3 ASP 30 2HB ASP 30 -1.922 -4.373 -9.279 217 H ALA 31 H ALA 31 -1.437 -3.276 -6.936 218 HA ALA 31 HA ALA 31 -3.582 -1.420 -6.463 219 HB1 ALA 31 3HB ALA 31 -3.840 -2.506 -4.340 220 HB2 ALA 31 1HB ALA 31 -2.260 -3.275 -4.488 221 HB3 ALA 31 2HB ALA 31 -3.573 -3.742 -5.569 222 H LEU 32 H LEU 32 -0.175 -1.655 -5.643 223 HA LEU 32 HA LEU 32 -0.116 0.248 -3.576 224 HB2 LEU 32 1HB LEU 32 1.737 -1.361 -4.376 225 HB3 LEU 32 2HB LEU 32 2.121 -0.118 -5.552 226 HG LEU 32 HG LEU 32 2.010 0.552 -2.630 227 HD11 LEU 32 1HD1 LEU 32 4.508 -0.384 -4.012 228 HD12 LEU 32 2HD1 LEU 32 3.496 -1.458 -3.047 229 HD13 LEU 32 3HD1 LEU 32 4.259 -0.056 -2.296 230 HD21 LEU 32 3HD2 LEU 32 2.315 2.533 -3.671 231 HD22 LEU 32 1HD2 LEU 32 2.985 1.793 -5.125 232 HD23 LEU 32 2HD2 LEU 32 3.998 2.008 -3.697 233 H ASP 33 H ASP 33 0.727 0.656 -7.025 234 HA ASP 33 HA ASP 33 0.905 3.468 -6.926 235 HB2 ASP 33 1HB ASP 33 1.893 2.093 -8.722 236 HB3 ASP 33 2HB ASP 33 0.279 1.718 -9.314 237 H ALA 34 H ALA 34 -1.806 1.290 -7.446 238 HA ALA 34 HA ALA 34 -3.623 3.240 -8.428 239 HB1 ALA 34 3HB ALA 34 -4.183 0.620 -7.046 240 HB2 ALA 34 1HB ALA 34 -3.999 0.864 -8.784 241 HB3 ALA 34 2HB ALA 34 -5.361 1.590 -7.931 242 H LEU 35 H LEU 35 -3.211 1.786 -5.193 243 HA LEU 35 HA LEU 35 -5.181 3.302 -3.896 244 HB2 LEU 35 1HB LEU 35 -2.891 1.640 -3.077 245 HB3 LEU 35 2HB LEU 35 -3.382 2.851 -1.908 246 HG LEU 35 HG LEU 35 -5.612 1.924 -1.799 247 HD11 LEU 35 1HD1 LEU 35 -4.716 0.437 -4.191 248 HD12 LEU 35 2HD1 LEU 35 -6.304 1.080 -3.782 249 HD13 LEU 35 3HD1 LEU 35 -5.751 -0.430 -3.059 250 HD21 LEU 35 3HD2 LEU 35 -5.065 0.197 -0.440 251 HD22 LEU 35 1HD2 LEU 35 -3.434 0.810 -0.706 252 HD23 LEU 35 2HD2 LEU 35 -4.022 -0.564 -1.641 253 H VAL 36 H VAL 36 -1.811 4.027 -4.618 254 HA VAL 36 HA VAL 36 -1.841 6.455 -3.037 255 HB VAL 36 HB VAL 36 0.273 5.501 -4.976 256 HG11 VAL 36 1HG1 VAL 36 0.033 7.804 -3.141 257 HG12 VAL 36 2HG1 VAL 36 0.928 7.641 -4.653 258 HG13 VAL 36 3HG1 VAL 36 1.590 6.976 -3.160 259 HG21 VAL 36 3HG2 VAL 36 0.810 5.263 -2.104 260 HG22 VAL 36 1HG2 VAL 36 1.136 4.134 -3.419 261 HG23 VAL 36 2HG2 VAL 36 -0.467 4.199 -2.689 262 H GLY 37 H GLY 37 -1.807 5.581 -6.493 263 HA2 GLY 37 1HA GLY 37 -1.935 8.367 -7.293 264 HA3 GLY 37 2HA GLY 37 -1.930 6.973 -8.358 265 H ALA 38 H ALA 38 -4.254 6.539 -5.955 266 HA ALA 38 HA ALA 38 -6.411 6.661 -7.759 267 HB1 ALA 38 3HB ALA 38 -7.558 5.668 -6.115 268 HB2 ALA 38 1HB ALA 38 -7.193 6.956 -4.967 269 HB3 ALA 38 2HB ALA 38 -6.038 5.650 -5.221 270 H HIS 39 H HIS 39 -5.689 8.757 -4.979 271 HA HIS 39 HA HIS 39 -5.650 11.072 -4.966 272 HB2 HIS 39 1HB HIS 39 -7.746 10.979 -7.121 273 HB3 HIS 39 2HB HIS 39 -7.057 12.410 -6.401 274 HD1 HIS 39 HD1 HIS 39 -4.051 11.292 -6.473 275 HD2 HIS 39 HD2 HIS 39 -6.720 11.476 -9.654 276 HE1 HIS 39 HE1 HIS 39 -2.627 11.295 -8.546 277 HE2 HIS 39 HE2 HIS 39 -4.272 11.242 -10.452 278 HA PRO 40 HA PRO 40 -10.421 11.289 -3.703 279 HB2 PRO 40 1HB PRO 40 -10.885 8.347 -3.745 280 HB3 PRO 40 2HB PRO 40 -12.009 9.670 -4.075 281 HG2 PRO 40 1HG PRO 40 -10.993 8.226 -6.064 282 HG3 PRO 40 2HG PRO 40 -11.232 9.974 -6.233 283 HD2 PRO 40 1HD PRO 40 -8.716 8.436 -5.805 284 HD3 PRO 40 2HD PRO 40 -8.990 9.924 -6.732 285 H ALA 41 H ALA 41 -8.047 8.839 -2.937 286 HA ALA 41 HA ALA 41 -8.840 8.162 -0.337 287 HB1 ALA 41 3HB ALA 41 -5.946 8.344 -0.683 288 HB2 ALA 41 1HB ALA 41 -6.755 7.458 -1.974 289 HB3 ALA 41 2HB ALA 41 -6.957 6.953 -0.298 290 H LEU 42 H LEU 42 -7.143 10.956 -1.599 291 HA LEU 42 HA LEU 42 -7.355 12.213 1.042 292 HB2 LEU 42 1HB LEU 42 -5.117 13.350 0.493 293 HB3 LEU 42 2HB LEU 42 -5.094 11.705 1.095 294 HG LEU 42 HG LEU 42 -5.017 12.223 -1.858 295 HD11 LEU 42 1HD1 LEU 42 -3.232 13.575 -1.202 296 HD12 LEU 42 2HD1 LEU 42 -2.482 12.020 -1.564 297 HD13 LEU 42 3HD1 LEU 42 -2.772 12.490 0.111 298 HD21 LEU 42 3HD2 LEU 42 -4.562 9.964 -0.021 299 HD22 LEU 42 1HD2 LEU 42 -3.415 10.107 -1.355 300 HD23 LEU 42 2HD2 LEU 42 -5.143 9.977 -1.687 301 H GLU 43 H GLU 43 -8.858 12.383 -1.555 302 HA GLU 43 HA GLU 43 -8.746 15.300 -1.809 303 HB2 GLU 43 1HB GLU 43 -8.798 13.392 -4.160 304 HB3 GLU 43 2HB GLU 43 -8.996 15.135 -4.267 305 HG2 GLU 43 1HG GLU 43 -6.608 14.648 -2.841 306 HG3 GLU 43 2HG GLU 43 -6.604 13.598 -4.255 307 H SER 44 H SER 44 -10.627 14.672 -0.301 308 HA SER 44 HA SER 44 -12.990 13.668 -1.633 309 HB2 SER 44 1HB SER 44 -12.330 14.522 1.156 310 HB3 SER 44 2HB SER 44 -14.021 14.467 0.667 311 HG SER 44 HG SER 44 -12.216 12.298 0.352 312 H ARG 45 H ARG 45 -11.866 16.780 -0.326 313 HA ARG 45 HA ARG 45 -13.355 18.233 -2.283 314 HB2 ARG 45 1HB ARG 45 -14.799 17.593 -0.016 315 HB3 ARG 45 2HB ARG 45 -14.218 19.216 0.333 316 HG2 ARG 45 1HG ARG 45 -15.496 20.172 -1.271 317 HG3 ARG 45 2HG ARG 45 -15.382 18.782 -2.349 318 HD2 ARG 45 1HD ARG 45 -17.607 18.742 -1.699 319 HD3 ARG 45 2HD ARG 45 -16.856 17.590 -0.596 320 HE ARG 45 HE ARG 45 -17.005 20.276 0.433 321 HH11 ARG 45 1HH1 ARG 45 -18.697 17.224 0.123 322 HH12 ARG 45 2HH1 ARG 45 -19.704 17.502 1.502 323 HH21 ARG 45 1HH2 ARG 45 -18.347 20.635 2.252 324 HH22 ARG 45 2HH2 ARG 45 -19.507 19.433 2.708 325 H VAL 46 H VAL 46 -11.845 19.637 -2.869 326 HA VAL 46 HA VAL 46 -10.812 21.533 -0.961 327 HB VAL 46 HB VAL 46 -9.199 19.727 -0.656 328 HG11 VAL 46 1HG1 VAL 46 -9.494 18.771 -2.973 329 HG12 VAL 46 2HG1 VAL 46 -7.839 18.840 -2.370 330 HG13 VAL 46 3HG1 VAL 46 -8.400 20.035 -3.539 331 HG21 VAL 46 3HG2 VAL 46 -7.230 21.008 -0.847 332 HG22 VAL 46 1HG2 VAL 46 -8.539 22.171 -0.630 333 HG23 VAL 46 2HG2 VAL 46 -7.853 21.904 -2.233 334 H PHE 47 H PHE 47 -10.433 20.259 -4.273 335 HA PHE 47 HA PHE 47 -11.229 22.679 -5.494 336 HB2 PHE 47 1HB PHE 47 -8.430 22.481 -4.821 337 HB3 PHE 47 2HB PHE 47 -8.617 22.506 -6.570 338 HD1 PHE 47 HD2 PHE 47 -10.248 24.377 -7.480 339 HD2 PHE 47 HD1 PHE 47 -8.310 24.481 -3.690 340 HE1 PHE 47 HE2 PHE 47 -10.529 26.818 -7.407 341 HE2 PHE 47 HE1 PHE 47 -8.589 26.924 -3.614 342 HZ PHE 47 HZ PHE 47 -9.700 28.096 -5.471 343 H GLY 48 H GLY 48 -9.966 22.415 -7.991 344 HA2 GLY 48 1HA GLY 48 -11.262 19.997 -8.935 345 HA3 GLY 48 2HA GLY 48 -10.587 21.275 -9.930 346 H ASP 49 H ASP 49 -9.042 19.325 -7.385 347 HA ASP 49 HA ASP 49 -7.290 17.897 -7.386 348 HB2 ASP 49 1HB ASP 49 -7.830 17.647 -10.351 349 HB3 ASP 49 2HB ASP 49 -6.769 16.602 -9.410 350 H ASP 50 H ASP 50 -5.168 18.231 -7.279 351 HA ASP 50 HA ASP 50 -4.073 20.571 -8.610 352 HB2 ASP 50 1HB ASP 50 -3.182 18.822 -6.344 353 HB3 ASP 50 2HB ASP 50 -2.011 19.856 -7.157 354 H GLY 51 H GLY 51 -3.833 17.093 -8.776 355 HA2 GLY 51 1HA GLY 51 -3.054 15.920 -10.666 356 HA3 GLY 51 2HA GLY 51 -2.150 17.347 -11.154 357 H GLU 52 H GLU 52 -0.462 17.977 -9.324 358 HA GLU 52 HA GLU 52 1.456 17.499 -8.218 359 HB2 GLU 52 1HB GLU 52 -0.297 15.290 -7.520 360 HB3 GLU 52 2HB GLU 52 1.392 14.806 -7.528 361 HG2 GLU 52 1HG GLU 52 1.660 15.729 -5.539 362 HG3 GLU 52 2HG GLU 52 1.245 17.302 -6.217 363 H LEU 53 H LEU 53 3.290 17.415 -9.296 364 HA LEU 53 HA LEU 53 3.608 15.532 -11.497 365 HB2 LEU 53 1HB LEU 53 5.008 18.029 -10.633 366 HB3 LEU 53 2HB LEU 53 5.826 16.915 -11.709 367 HG LEU 53 HG LEU 53 3.106 18.048 -12.335 368 HD11 LEU 53 1HD1 LEU 53 4.350 19.998 -12.234 369 HD12 LEU 53 2HD1 LEU 53 4.509 19.524 -13.925 370 HD13 LEU 53 3HD1 LEU 53 5.825 19.209 -12.793 371 HD21 LEU 53 3HD2 LEU 53 5.201 17.042 -14.236 372 HD22 LEU 53 1HD2 LEU 53 3.479 17.288 -14.521 373 HD23 LEU 53 2HD2 LEU 53 4.023 15.964 -13.490 374 H TYR 54 H TYR 54 4.963 16.177 -8.298 375 HA TYR 54 HA TYR 54 6.591 13.739 -8.592 376 HB2 TYR 54 1HB TYR 54 7.669 16.229 -8.346 377 HB3 TYR 54 2HB TYR 54 7.581 15.732 -6.660 378 HD1 TYR 54 HD1 TYR 54 8.230 12.948 -6.637 379 HD2 TYR 54 HD2 TYR 54 9.840 16.016 -9.108 380 HE1 TYR 54 HE1 TYR 54 10.288 11.636 -6.916 381 HE2 TYR 54 HE2 TYR 54 11.904 14.712 -9.393 382 HH TYR 54 HH TYR 54 12.170 11.530 -8.761 383 H ASP 55 H ASP 55 6.056 12.189 -7.212 384 HA ASP 55 HA ASP 55 4.951 12.916 -4.581 385 HB2 ASP 55 1HB ASP 55 3.783 11.182 -6.688 386 HB3 ASP 55 2HB ASP 55 3.684 10.571 -5.040 387 H HIS 56 H HIS 56 5.919 11.930 -2.902 388 HA HIS 56 HA HIS 56 7.536 9.524 -3.433 389 HB2 HIS 56 1HB HIS 56 8.388 12.094 -2.449 390 HB3 HIS 56 2HB HIS 56 8.672 10.863 -1.223 391 HD1 HIS 56 HD1 HIS 56 11.057 12.208 -2.542 392 HD2 HIS 56 HD2 HIS 56 9.334 8.704 -3.966 393 HE1 HIS 56 HE1 HIS 56 12.855 11.070 -3.883 394 HE2 HIS 56 HE2 HIS 56 11.761 8.999 -4.810 395 H ILE 57 H ILE 57 7.305 7.848 -2.044 396 HA ILE 57 HA ILE 57 6.103 8.222 0.572 397 HB ILE 57 HB ILE 57 4.444 6.335 0.079 398 HG12 ILE 57 1HG1 ILE 57 4.033 7.138 -2.665 399 HG13 ILE 57 2HG1 ILE 57 5.654 6.485 -2.461 400 HG21 ILE 57 1HG2 ILE 57 2.759 7.852 -0.217 401 HG22 ILE 57 2HG2 ILE 57 3.653 8.779 -1.422 402 HG23 ILE 57 3HG2 ILE 57 4.069 8.923 0.286 403 HD11 ILE 57 3HD1 ILE 57 4.843 4.408 -1.747 404 HD12 ILE 57 1HD1 ILE 57 3.825 4.864 -3.113 405 HD13 ILE 57 2HD1 ILE 57 3.223 5.046 -1.466 406 H ASN 58 H ASN 58 6.952 6.808 2.003 407 HA ASN 58 HA ASN 58 8.732 4.749 0.967 408 HB2 ASN 58 1HB ASN 58 9.108 6.490 2.983 409 HB3 ASN 58 2HB ASN 58 8.439 5.144 3.898 410 HD21 ASN 58 2HD2 ASN 58 10.849 5.771 1.361 411 HD22 ASN 58 1HD2 ASN 58 12.027 4.671 1.982 412 H VAL 59 H VAL 59 8.759 2.600 2.122 413 HA VAL 59 HA VAL 59 6.103 1.754 3.027 414 HB VAL 59 HB VAL 59 6.216 1.279 0.620 415 HG11 VAL 59 1HG1 VAL 59 8.827 0.821 0.902 416 HG12 VAL 59 2HG1 VAL 59 7.881 0.153 -0.427 417 HG13 VAL 59 3HG1 VAL 59 8.248 -0.843 0.981 418 HG21 VAL 59 3HG2 VAL 59 4.939 -0.186 2.140 419 HG22 VAL 59 1HG2 VAL 59 6.344 -1.243 2.265 420 HG23 VAL 59 2HG2 VAL 59 5.535 -1.033 0.715 421 H LEU 60 H LEU 60 6.053 -0.046 4.385 422 HA LEU 60 HA LEU 60 8.661 -0.803 5.512 423 HB2 LEU 60 1HB LEU 60 6.572 0.253 6.823 424 HB3 LEU 60 2HB LEU 60 6.146 -1.441 6.947 425 HG LEU 60 HG LEU 60 7.338 -0.769 8.930 426 HD11 LEU 60 1HD1 LEU 60 8.662 -2.602 9.087 427 HD12 LEU 60 2HD1 LEU 60 9.470 -2.290 7.550 428 HD13 LEU 60 3HD1 LEU 60 7.855 -2.997 7.569 429 HD21 LEU 60 3HD2 LEU 60 8.695 1.004 8.589 430 HD22 LEU 60 1HD2 LEU 60 9.158 0.480 6.970 431 HD23 LEU 60 2HD2 LEU 60 9.914 -0.253 8.383 432 H ARG 61 H ARG 61 9.372 -2.826 5.318 433 HA ARG 61 HA ARG 61 7.457 -4.951 4.607 434 HB2 ARG 61 1HB ARG 61 9.833 -4.023 3.180 435 HB3 ARG 61 2HB ARG 61 9.865 -5.750 3.504 436 HG2 ARG 61 1HG ARG 61 7.313 -5.378 2.586 437 HG3 ARG 61 2HG ARG 61 8.239 -4.222 1.628 438 HD2 ARG 61 1HD ARG 61 9.561 -6.808 1.858 439 HD3 ARG 61 2HD ARG 61 7.963 -6.926 1.123 440 HE ARG 61 HE ARG 61 8.736 -5.767 -0.710 441 HH11 ARG 61 1HH1 ARG 61 11.148 -5.664 1.829 442 HH12 ARG 61 2HH1 ARG 61 12.387 -5.038 0.798 443 HH21 ARG 61 1HH2 ARG 61 10.378 -4.942 -2.067 444 HH22 ARG 61 2HH2 ARG 61 11.951 -4.629 -1.413 445 H ASN 62 H ASN 62 7.841 -7.001 5.468 446 HA ASN 62 HA ASN 62 9.032 -7.147 7.998 447 HB2 ASN 62 1HB ASN 62 7.923 -9.130 6.071 448 HB3 ASN 62 2HB ASN 62 8.937 -9.746 7.372 449 HD21 ASN 62 2HD2 ASN 62 8.178 -9.768 9.434 450 HD22 ASN 62 1HD2 ASN 62 6.560 -9.336 9.861 451 H GLY 63 H GLY 63 10.454 -7.443 4.863 452 HA2 GLY 63 1HA GLY 63 12.881 -7.217 4.746 453 HA3 GLY 63 2HA GLY 63 12.983 -8.301 6.123 454 H GLU 64 H GLU 64 10.701 -8.989 3.596 455 HA GLU 64 HA GLU 64 12.433 -11.171 2.643 456 HB2 GLU 64 1HB GLU 64 9.991 -11.396 3.906 457 HB3 GLU 64 2HB GLU 64 9.557 -11.510 2.208 458 HG2 GLU 64 1HG GLU 64 9.975 -13.688 2.513 459 HG3 GLU 64 2HG GLU 64 11.651 -13.198 2.268 460 H ALA 65 H ALA 65 11.845 -11.935 0.403 461 HA ALA 65 HA ALA 65 11.877 -9.693 -1.383 462 HB1 ALA 65 3HB ALA 65 12.958 -12.144 -1.538 463 HB2 ALA 65 1HB ALA 65 12.644 -11.135 -2.950 464 HB3 ALA 65 2HB ALA 65 11.504 -12.404 -2.500 465 H ALA 66 H ALA 66 10.088 -8.622 -1.926 466 HA ALA 66 HA ALA 66 7.625 -10.164 -2.422 467 HB1 ALA 66 3HB ALA 66 6.843 -8.984 -0.669 468 HB2 ALA 66 1HB ALA 66 6.651 -7.708 -1.869 469 HB3 ALA 66 2HB ALA 66 8.072 -7.731 -0.826 470 H ALA 67 H ALA 67 6.902 -10.072 -4.445 471 HA ALA 67 HA ALA 67 8.111 -8.244 -6.339 472 HB1 ALA 67 3HB ALA 67 5.910 -9.998 -7.226 473 HB2 ALA 67 1HB ALA 67 7.336 -10.807 -6.576 474 HB3 ALA 67 2HB ALA 67 7.493 -9.707 -7.945 475 H LEU 68 H LEU 68 6.708 -7.136 -7.982 476 HA LEU 68 HA LEU 68 4.416 -5.880 -6.635 477 HB2 LEU 68 1HB LEU 68 4.897 -3.870 -7.657 478 HB3 LEU 68 2HB LEU 68 6.493 -4.522 -7.354 479 HG LEU 68 HG LEU 68 6.139 -5.427 -9.862 480 HD11 LEU 68 1HD1 LEU 68 4.816 -2.742 -10.003 481 HD12 LEU 68 2HD1 LEU 68 3.863 -4.216 -9.832 482 HD13 LEU 68 3HD1 LEU 68 4.913 -4.004 -11.232 483 HD21 LEU 68 3HD2 LEU 68 7.164 -2.777 -8.890 484 HD22 LEU 68 1HD2 LEU 68 7.313 -3.282 -10.573 485 HD23 LEU 68 2HD2 LEU 68 8.076 -4.230 -9.297 486 H GLY 69 H GLY 69 5.491 -7.286 -9.705 487 HA2 GLY 69 1HA GLY 69 2.834 -6.969 -10.864 488 HA3 GLY 69 2HA GLY 69 4.250 -7.612 -11.673 489 H GLU 70 H GLU 70 3.356 -8.836 -8.533 490 HA GLU 70 HA GLU 70 1.745 -10.991 -9.502 491 HB2 GLU 70 1HB GLU 70 4.645 -11.335 -9.266 492 HB3 GLU 70 2HB GLU 70 3.726 -12.525 -8.359 493 HG2 GLU 70 1HG GLU 70 3.075 -13.598 -10.202 494 HG3 GLU 70 2HG GLU 70 2.717 -12.103 -11.061 495 H ALA 71 H ALA 71 0.291 -10.508 -7.889 496 HA ALA 71 HA ALA 71 1.036 -10.089 -5.172 497 HB1 ALA 71 3HB ALA 71 -1.467 -10.452 -4.786 498 HB2 ALA 71 1HB ALA 71 -1.586 -10.573 -6.540 499 HB3 ALA 71 2HB ALA 71 -0.982 -9.092 -5.798 500 H THR 72 H THR 72 1.000 -12.903 -6.988 501 HA THR 72 HA THR 72 0.022 -14.725 -5.009 502 HB THR 72 HB THR 72 -0.125 -15.313 -7.347 503 HG1 THR 72 HG1 THR 72 1.791 -16.952 -6.051 504 HG21 THR 72 3HG2 THR 72 2.568 -16.007 -7.962 505 HG22 THR 72 1HG2 THR 72 2.478 -14.290 -7.570 506 HG23 THR 72 2HG2 THR 72 1.455 -14.961 -8.840 507 H ALA 73 H ALA 73 2.724 -12.863 -4.943 508 HA ALA 73 HA ALA 73 4.752 -14.708 -4.214 509 HB1 ALA 73 3HB ALA 73 5.001 -12.284 -5.014 510 HB2 ALA 73 1HB ALA 73 6.078 -12.839 -3.732 511 HB3 ALA 73 2HB ALA 73 4.681 -11.836 -3.339 512 H ALA 74 H ALA 74 5.873 -14.132 -1.922 513 HA ALA 74 HA ALA 74 3.944 -15.039 0.053 514 HB1 ALA 74 3HB ALA 74 6.939 -14.742 0.277 515 HB2 ALA 74 1HB ALA 74 6.082 -16.219 -0.161 516 HB3 ALA 74 2HB ALA 74 5.878 -15.525 1.448 517 H GLY 75 H GLY 75 2.760 -13.122 0.417 518 HA2 GLY 75 1HA GLY 75 2.284 -11.401 1.912 519 HA3 GLY 75 2HA GLY 75 3.970 -11.388 2.395 520 H ASP 76 H ASP 76 2.419 -9.073 1.966 521 HA ASP 76 HA ASP 76 3.592 -7.987 -0.506 522 HB2 ASP 76 1HB ASP 76 1.173 -7.092 1.073 523 HB3 ASP 76 2HB ASP 76 1.869 -6.162 -0.247 524 H GLU 77 H GLU 77 2.463 -6.405 2.469 525 HA GLU 77 HA GLU 77 5.132 -5.684 3.274 526 HB2 GLU 77 1HB GLU 77 4.680 -3.215 3.181 527 HB3 GLU 77 2HB GLU 77 4.876 -3.979 1.612 528 HG2 GLU 77 1HG GLU 77 2.395 -4.068 1.427 529 HG3 GLU 77 2HG GLU 77 2.307 -3.126 2.915 530 H LEU 78 H LEU 78 4.752 -3.749 5.072 531 HA LEU 78 HA LEU 78 2.732 -4.888 6.888 532 HB2 LEU 78 1HB LEU 78 5.425 -3.678 7.311 533 HB3 LEU 78 2HB LEU 78 4.234 -3.543 8.590 534 HG LEU 78 HG LEU 78 5.292 -6.116 7.411 535 HD11 LEU 78 1HD1 LEU 78 6.582 -4.513 9.129 536 HD12 LEU 78 2HD1 LEU 78 6.704 -6.272 9.166 537 HD13 LEU 78 3HD1 LEU 78 5.606 -5.441 10.267 538 HD21 LEU 78 3HD2 LEU 78 3.237 -6.837 8.053 539 HD22 LEU 78 1HD2 LEU 78 3.007 -5.516 9.199 540 HD23 LEU 78 2HD2 LEU 78 4.023 -6.891 9.630 541 H ALA 79 H ALA 79 4.057 -1.876 5.613 542 HA ALA 79 HA ALA 79 1.579 -0.508 5.920 543 HB1 ALA 79 3HB ALA 79 2.117 1.077 7.579 544 HB2 ALA 79 1HB ALA 79 3.814 0.600 7.599 545 HB3 ALA 79 2HB ALA 79 2.587 -0.479 8.258 546 H LEU 80 H LEU 80 1.900 1.912 5.376 547 HA LEU 80 HA LEU 80 4.200 2.334 3.605 548 HB2 LEU 80 1HB LEU 80 2.176 1.527 2.318 549 HB3 LEU 80 2HB LEU 80 1.376 3.013 2.788 550 HG LEU 80 HG LEU 80 4.014 3.255 1.437 551 HD11 LEU 80 1HD1 LEU 80 1.485 2.365 0.076 552 HD12 LEU 80 2HD1 LEU 80 3.079 1.618 0.012 553 HD13 LEU 80 3HD1 LEU 80 2.801 3.172 -0.774 554 HD21 LEU 80 3HD2 LEU 80 2.876 5.249 2.183 555 HD22 LEU 80 1HD2 LEU 80 1.412 4.776 1.322 556 HD23 LEU 80 2HD2 LEU 80 2.867 5.196 0.421 557 H PHE 81 H PHE 81 5.138 3.855 4.880 558 HA PHE 81 HA PHE 81 3.536 6.220 5.600 559 HB2 PHE 81 1HB PHE 81 5.963 4.960 6.861 560 HB3 PHE 81 2HB PHE 81 5.520 6.628 7.202 561 HD1 PHE 81 HD1 PHE 81 3.563 3.446 6.895 562 HD2 PHE 81 HD2 PHE 81 4.598 6.815 9.284 563 HE1 PHE 81 HE1 PHE 81 2.012 2.680 8.644 564 HE2 PHE 81 HE2 PHE 81 3.049 6.051 11.035 565 HZ PHE 81 HZ PHE 81 1.755 3.983 10.717 566 HA PRO 82 HA PRO 82 5.993 8.453 2.639 567 HB2 PRO 82 1HB PRO 82 5.293 10.971 3.313 568 HB3 PRO 82 2HB PRO 82 4.184 9.873 2.484 569 HG2 PRO 82 1HG PRO 82 4.329 10.583 5.388 570 HG3 PRO 82 2HG PRO 82 2.903 10.403 4.348 571 HD2 PRO 82 1HD PRO 82 3.756 8.467 6.070 572 HD3 PRO 82 2HD PRO 82 2.877 8.118 4.568 573 HA PRO 83 HA PRO 83 9.854 9.445 4.567 574 HB2 PRO 83 1HB PRO 83 10.005 11.679 2.601 575 HB3 PRO 83 2HB PRO 83 11.161 10.382 2.924 576 HG2 PRO 83 1HG PRO 83 9.641 10.327 0.741 577 HG3 PRO 83 2HG PRO 83 9.995 8.841 1.642 578 HD2 PRO 83 1HD PRO 83 7.494 10.478 1.591 579 HD3 PRO 83 2HD PRO 83 7.690 8.715 1.672 580 H VAL 84 H VAL 84 10.914 11.109 5.824 581 HA VAL 84 HA VAL 84 9.128 12.727 7.291 582 HB VAL 84 HB VAL 84 11.264 13.707 8.269 583 HG11 VAL 84 1HG1 VAL 84 11.467 10.784 8.573 584 HG12 VAL 84 2HG1 VAL 84 9.880 11.493 8.874 585 HG13 VAL 84 3HG1 VAL 84 11.281 12.043 9.793 586 HG21 VAL 84 3HG2 VAL 84 13.312 13.115 7.551 587 HG22 VAL 84 1HG2 VAL 84 12.472 12.753 6.042 588 HG23 VAL 84 2HG2 VAL 84 12.819 11.461 7.191 589 H SER 85 H SER 85 8.115 14.016 5.671 590 HA SER 85 HA SER 85 9.732 16.049 4.347 591 HB2 SER 85 1HB SER 85 7.690 14.676 3.364 592 HB3 SER 85 2HB SER 85 6.754 15.969 4.113 593 HG SER 85 HG SER 85 8.656 16.119 2.040 594 H GLY 86 H GLY 86 9.021 18.322 4.390 595 HA2 GLY 86 1HA GLY 86 7.384 19.212 6.593 596 HA3 GLY 86 2HA GLY 86 9.100 19.507 6.832 597 H GLY 87 H GLY 87 6.297 20.265 4.851 598 HA2 GLY 87 1HA GLY 87 7.711 22.689 3.921 599 HA3 GLY 87 2HA GLY 87 6.652 21.771 2.865 Start of MODEL 11 1 H1 MET 1 1H MET 1 1.622 -7.233 1.122 2 H2 MET 1 2H MET 1 0.183 -7.839 0.416 3 H3 MET 1 3H MET 1 1.579 -8.831 0.511 4 HA MET 1 HA MET 1 -0.058 -9.424 2.145 5 HB2 MET 1 1HB MET 1 2.337 -9.778 2.540 6 HB3 MET 1 2HB MET 1 2.479 -8.161 3.211 7 HG2 MET 1 1HG MET 1 1.548 -8.746 5.189 8 HG3 MET 1 2HG MET 1 0.496 -9.959 4.463 9 HE1 MET 1 3HE MET 1 0.670 -11.399 6.214 10 HE2 MET 1 1HE MET 1 2.049 -11.130 7.282 11 HE3 MET 1 2HE MET 1 1.910 -12.641 6.383 12 H GLU 2 H GLU 2 1.414 -6.281 3.024 13 HA GLU 2 HA GLU 2 -1.199 -5.301 3.853 14 HB2 GLU 2 1HB GLU 2 1.167 -5.376 5.731 15 HB3 GLU 2 2HB GLU 2 -0.372 -4.594 6.057 16 HG2 GLU 2 1HG GLU 2 -1.510 -6.712 6.048 17 HG3 GLU 2 2HG GLU 2 -0.032 -7.542 5.558 18 H TRP 3 H TRP 3 -1.433 -3.144 3.638 19 HA TRP 3 HA TRP 3 0.934 -1.489 3.113 20 HB2 TRP 3 1HB TRP 3 -1.572 -1.140 1.477 21 HB3 TRP 3 2HB TRP 3 0.039 -0.519 1.153 22 HD1 TRP 3 HD TRP 3 1.637 -3.292 1.302 23 HE1 TRP 3 HE1 TRP 3 1.336 -5.011 -0.584 24 HE3 TRP 3 HE3 TRP 3 -2.834 -1.672 -0.564 25 HZ2 TRP 3 HZ2 TRP 3 -0.545 -5.602 -2.605 26 HZ3 TRP 3 HZ3 TRP 3 -3.811 -2.863 -2.482 27 HH2 TRP 3 HH TRP 3 -2.691 -4.788 -3.480 28 H LYS 4 H LYS 4 0.901 0.153 4.518 29 HA LYS 4 HA LYS 4 -1.720 1.190 5.403 30 HB2 LYS 4 1HB LYS 4 0.865 0.810 6.890 31 HB3 LYS 4 2HB LYS 4 -0.302 2.007 7.427 32 HG2 LYS 4 1HG LYS 4 -1.820 0.432 8.096 33 HG3 LYS 4 2HG LYS 4 -1.243 -0.774 6.944 34 HD2 LYS 4 1HD LYS 4 -0.665 -1.417 9.218 35 HD3 LYS 4 2HD LYS 4 0.792 -1.066 8.287 36 HE2 LYS 4 1HE LYS 4 1.089 1.021 9.357 37 HE3 LYS 4 2HE LYS 4 -0.534 0.984 10.044 38 HZ1 LYS 4 3HZ LYS 4 0.205 -0.983 11.359 39 HZ2 LYS 4 1HZ LYS 4 0.998 0.459 11.758 40 HZ3 LYS 4 2HZ LYS 4 1.781 -0.704 10.812 41 H LEU 5 H LEU 5 -2.057 3.400 5.334 42 HA LEU 5 HA LEU 5 0.184 5.026 4.314 43 HB2 LEU 5 1HB LEU 5 -2.086 4.420 2.899 44 HB3 LEU 5 2HB LEU 5 -2.507 5.962 3.618 45 HG LEU 5 HG LEU 5 -1.537 6.159 1.342 46 HD11 LEU 5 1HD1 LEU 5 -0.502 8.127 1.813 47 HD12 LEU 5 2HD1 LEU 5 0.466 7.438 3.115 48 HD13 LEU 5 3HD1 LEU 5 -1.232 7.823 3.389 49 HD21 LEU 5 3HD2 LEU 5 0.138 4.211 1.958 50 HD22 LEU 5 1HD2 LEU 5 1.166 5.564 2.427 51 HD23 LEU 5 2HD2 LEU 5 0.558 5.450 0.776 52 H PHE 6 H PHE 6 0.436 7.073 5.156 53 HA PHE 6 HA PHE 6 -0.821 7.530 7.694 54 HB2 PHE 6 1HB PHE 6 0.808 9.228 8.012 55 HB3 PHE 6 2HB PHE 6 1.624 7.897 7.224 56 HD1 PHE 6 HD1 PHE 6 2.003 8.071 4.697 57 HD2 PHE 6 HD2 PHE 6 0.892 11.380 7.135 58 HE1 PHE 6 HE1 PHE 6 2.837 9.616 2.976 59 HE2 PHE 6 HE2 PHE 6 1.723 12.928 5.414 60 HZ PHE 6 HZ PHE 6 2.698 12.047 3.332 61 H ALA 7 H ALA 7 -1.081 10.189 7.976 62 HA ALA 7 HA ALA 7 -3.594 10.837 7.270 63 HB1 ALA 7 3HB ALA 7 -1.896 12.112 8.732 64 HB2 ALA 7 1HB ALA 7 -3.186 13.010 7.931 65 HB3 ALA 7 2HB ALA 7 -1.557 13.019 7.258 66 H ASP 8 H ASP 8 -0.887 11.004 5.070 67 HA ASP 8 HA ASP 8 -1.548 12.796 3.169 68 HB2 ASP 8 1HB ASP 8 0.098 10.577 3.251 69 HB3 ASP 8 2HB ASP 8 -1.003 10.201 1.934 70 H LEU 9 H LEU 9 -2.999 9.581 3.470 71 HA LEU 9 HA LEU 9 -5.144 10.453 1.648 72 HB2 LEU 9 1HB LEU 9 -3.846 7.804 2.098 73 HB3 LEU 9 2HB LEU 9 -5.521 7.855 1.576 74 HG LEU 9 HG LEU 9 -4.313 9.572 -0.198 75 HD11 LEU 9 1HD1 LEU 9 -2.122 8.715 0.837 76 HD12 LEU 9 2HD1 LEU 9 -2.268 8.739 -0.919 77 HD13 LEU 9 3HD1 LEU 9 -2.462 7.224 -0.040 78 HD21 LEU 9 3HD2 LEU 9 -4.529 7.687 -1.797 79 HD22 LEU 9 1HD2 LEU 9 -5.960 7.932 -0.798 80 HD23 LEU 9 2HD2 LEU 9 -4.848 6.614 -0.433 81 H ALA 10 H ALA 10 -4.419 9.309 4.840 82 HA ALA 10 HA ALA 10 -7.094 8.488 5.479 83 HB1 ALA 10 3HB ALA 10 -4.530 8.712 6.939 84 HB2 ALA 10 1HB ALA 10 -5.687 7.382 6.871 85 HB3 ALA 10 2HB ALA 10 -6.009 8.779 7.896 86 H GLU 11 H GLU 11 -5.828 11.514 4.947 87 HA GLU 11 HA GLU 11 -7.013 12.963 7.103 88 HB2 GLU 11 1HB GLU 11 -5.559 13.597 4.625 89 HB3 GLU 11 2HB GLU 11 -6.763 14.796 5.081 90 HG2 GLU 11 1HG GLU 11 -5.690 15.309 7.069 91 HG3 GLU 11 2HG GLU 11 -4.786 13.796 7.084 92 H VAL 12 H VAL 12 -8.062 11.976 3.892 93 HA VAL 12 HA VAL 12 -10.553 13.476 4.175 94 HB VAL 12 HB VAL 12 -9.743 11.764 1.831 95 HG11 VAL 12 1HG1 VAL 12 -12.108 12.360 1.959 96 HG12 VAL 12 2HG1 VAL 12 -11.318 13.166 0.605 97 HG13 VAL 12 3HG1 VAL 12 -11.675 14.067 2.079 98 HG21 VAL 12 3HG2 VAL 12 -8.824 14.456 2.639 99 HG22 VAL 12 1HG2 VAL 12 -9.271 14.252 0.946 100 HG23 VAL 12 2HG2 VAL 12 -8.024 13.229 1.657 101 H ALA 13 H ALA 13 -9.566 10.112 3.450 102 HA ALA 13 HA ALA 13 -12.224 9.109 3.849 103 HB1 ALA 13 3HB ALA 13 -11.463 7.158 3.006 104 HB2 ALA 13 1HB ALA 13 -9.960 7.220 3.924 105 HB3 ALA 13 2HB ALA 13 -10.134 8.179 2.456 106 H GLY 14 H GLY 14 -9.237 9.135 5.750 107 HA2 GLY 14 1HA GLY 14 -9.480 9.360 8.178 108 HA3 GLY 14 2HA GLY 14 -10.820 8.229 8.076 109 H SER 15 H SER 15 -9.392 6.497 6.153 110 HA SER 15 HA SER 15 -7.040 5.559 7.539 111 HB2 SER 15 1HB SER 15 -7.999 3.277 7.949 112 HB3 SER 15 2HB SER 15 -8.711 4.539 8.955 113 HG SER 15 HG SER 15 -10.366 3.301 8.115 114 H ARG 16 H ARG 16 -5.662 4.809 6.065 115 HA ARG 16 HA ARG 16 -6.751 3.697 3.560 116 HB2 ARG 16 1HB ARG 16 -5.165 5.983 3.860 117 HB3 ARG 16 2HB ARG 16 -4.057 4.745 3.289 118 HG2 ARG 16 1HG ARG 16 -6.600 5.644 1.956 119 HG3 ARG 16 2HG ARG 16 -4.948 5.947 1.415 120 HD2 ARG 16 1HD ARG 16 -4.603 3.682 0.865 121 HD3 ARG 16 2HD ARG 16 -6.032 3.167 1.759 122 HE ARG 16 HE ARG 16 -6.478 4.932 -0.508 123 HH11 ARG 16 1HH1 ARG 16 -6.460 1.640 0.699 124 HH12 ARG 16 2HH1 ARG 16 -7.491 1.047 -0.556 125 HH21 ARG 16 1HH2 ARG 16 -7.825 4.137 -2.161 126 HH22 ARG 16 2HH2 ARG 16 -8.263 2.462 -2.181 127 H THR 17 H THR 17 -6.111 2.201 5.932 128 HA THR 17 HA THR 17 -3.674 0.762 5.144 129 HB THR 17 HB THR 17 -3.586 -0.120 7.368 130 HG1 THR 17 HG1 THR 17 -5.587 -0.567 7.998 131 HG21 THR 17 3HG2 THR 17 -2.710 2.085 7.365 132 HG22 THR 17 1HG2 THR 17 -3.688 1.907 8.820 133 HG23 THR 17 2HG2 THR 17 -4.324 2.791 7.434 134 H VAL 18 H VAL 18 -3.825 -1.189 4.204 135 HA VAL 18 HA VAL 18 -6.250 -2.787 4.626 136 HB VAL 18 HB VAL 18 -5.084 -2.368 1.873 137 HG11 VAL 18 1HG1 VAL 18 -7.424 -3.872 2.972 138 HG12 VAL 18 2HG1 VAL 18 -6.191 -4.400 1.826 139 HG13 VAL 18 3HG1 VAL 18 -7.451 -3.276 1.313 140 HG21 VAL 18 3HG2 VAL 18 -6.015 -0.262 2.575 141 HG22 VAL 18 1HG2 VAL 18 -7.484 -1.053 3.144 142 HG23 VAL 18 2HG2 VAL 18 -7.115 -1.013 1.420 143 H ARG 19 H ARG 19 -6.017 -5.035 4.255 144 HA ARG 19 HA ARG 19 -3.228 -5.980 4.081 145 HB2 ARG 19 1HB ARG 19 -4.003 -7.912 5.512 146 HB3 ARG 19 2HB ARG 19 -3.922 -6.355 6.323 147 HG2 ARG 19 1HG ARG 19 -6.187 -6.200 6.557 148 HG3 ARG 19 2HG ARG 19 -6.515 -7.172 5.122 149 HD2 ARG 19 1HD ARG 19 -6.017 -9.187 6.269 150 HD3 ARG 19 2HD ARG 19 -5.324 -8.318 7.638 151 HE ARG 19 HE ARG 19 -7.957 -7.490 7.422 152 HH11 ARG 19 1HH1 ARG 19 -6.262 -10.493 8.028 153 HH12 ARG 19 2HH1 ARG 19 -7.537 -11.161 8.990 154 HH21 ARG 19 1HH2 ARG 19 -9.631 -8.369 8.685 155 HH22 ARG 19 2HH2 ARG 19 -9.455 -9.952 9.362 156 H VAL 20 H VAL 20 -2.950 -8.155 3.196 157 HA VAL 20 HA VAL 20 -4.930 -8.690 1.092 158 HB VAL 20 HB VAL 20 -2.097 -9.727 1.272 159 HG11 VAL 20 1HG1 VAL 20 -2.410 -10.181 -1.138 160 HG12 VAL 20 2HG1 VAL 20 -4.100 -9.700 -0.983 161 HG13 VAL 20 3HG1 VAL 20 -3.503 -11.115 -0.116 162 HG21 VAL 20 3HG2 VAL 20 -3.222 -7.263 -0.018 163 HG22 VAL 20 1HG2 VAL 20 -1.746 -8.023 -0.612 164 HG23 VAL 20 2HG2 VAL 20 -1.823 -7.416 1.043 165 H ASP 21 H ASP 21 -6.259 -10.340 1.334 166 HA ASP 21 HA ASP 21 -5.360 -12.744 2.753 167 HB2 ASP 21 1HB ASP 21 -7.509 -10.921 3.528 168 HB3 ASP 21 2HB ASP 21 -8.038 -12.594 3.389 169 H VAL 22 H VAL 22 -7.867 -11.305 0.704 170 HA VAL 22 HA VAL 22 -8.649 -13.889 -0.341 171 HB VAL 22 HB VAL 22 -10.353 -12.162 0.091 172 HG11 VAL 22 1HG1 VAL 22 -8.948 -10.656 -2.115 173 HG12 VAL 22 2HG1 VAL 22 -9.122 -10.162 -0.430 174 HG13 VAL 22 3HG1 VAL 22 -10.540 -10.243 -1.474 175 HG21 VAL 22 3HG2 VAL 22 -11.595 -12.427 -1.975 176 HG22 VAL 22 1HG2 VAL 22 -10.743 -13.922 -1.589 177 HG23 VAL 22 2HG2 VAL 22 -10.117 -12.847 -2.839 178 H ASP 23 H ASP 23 -8.453 -14.554 -2.489 179 HA ASP 23 HA ASP 23 -6.228 -13.318 -3.940 180 HB2 ASP 23 1HB ASP 23 -6.214 -15.789 -3.349 181 HB3 ASP 23 2HB ASP 23 -7.516 -15.991 -4.517 182 H GLY 24 H GLY 24 -6.441 -12.449 -5.943 183 HA2 GLY 24 1HA GLY 24 -8.793 -12.936 -7.553 184 HA3 GLY 24 2HA GLY 24 -8.702 -11.314 -6.888 185 H ASP 25 H ASP 25 -8.790 -11.349 -9.508 186 HA ASP 25 HA ASP 25 -6.428 -11.756 -10.954 187 HB2 ASP 25 1HB ASP 25 -8.964 -10.310 -11.379 188 HB3 ASP 25 2HB ASP 25 -7.602 -9.713 -12.324 189 H ALA 26 H ALA 26 -7.444 -9.066 -8.949 190 HA ALA 26 HA ALA 26 -5.635 -7.123 -9.854 191 HB1 ALA 26 3HB ALA 26 -7.621 -6.841 -8.275 192 HB2 ALA 26 1HB ALA 26 -6.170 -5.901 -7.925 193 HB3 ALA 26 2HB ALA 26 -6.525 -7.358 -6.994 194 H THR 27 H THR 27 -3.489 -7.168 -9.854 195 HA THR 27 HA THR 27 -1.965 -9.106 -8.447 196 HB THR 27 HB THR 27 -0.445 -6.784 -9.348 197 HG1 THR 27 HG1 THR 27 -1.055 -6.794 -11.444 198 HG21 THR 27 3HG2 THR 27 0.717 -8.400 -10.705 199 HG22 THR 27 1HG2 THR 27 -0.512 -9.616 -10.358 200 HG23 THR 27 2HG2 THR 27 0.524 -9.014 -9.065 201 H VAL 28 H VAL 28 0.139 -8.142 -7.246 202 HA VAL 28 HA VAL 28 -0.880 -7.010 -4.825 203 HB VAL 28 HB VAL 28 1.608 -6.970 -4.172 204 HG11 VAL 28 1HG1 VAL 28 1.424 -9.713 -4.412 205 HG12 VAL 28 2HG1 VAL 28 -0.255 -9.175 -4.455 206 HG13 VAL 28 3HG1 VAL 28 0.777 -8.732 -3.096 207 HG21 VAL 28 3HG2 VAL 28 1.850 -8.704 -6.629 208 HG22 VAL 28 1HG2 VAL 28 3.115 -8.338 -5.459 209 HG23 VAL 28 2HG2 VAL 28 2.476 -7.063 -6.491 210 H GLY 29 H GLY 29 1.213 -5.894 -7.463 211 HA2 GLY 29 1HA GLY 29 1.414 -3.278 -6.238 212 HA3 GLY 29 2HA GLY 29 2.192 -3.786 -7.726 213 H ASP 30 H ASP 30 -0.385 -4.873 -8.768 214 HA ASP 30 HA ASP 30 -1.246 -2.647 -10.242 215 HB2 ASP 30 1HB ASP 30 -1.555 -4.938 -11.037 216 HB3 ASP 30 2HB ASP 30 -2.656 -5.271 -9.709 217 H ALA 31 H ALA 31 -2.410 -4.039 -7.228 218 HA ALA 31 HA ALA 31 -4.648 -2.164 -7.103 219 HB1 ALA 31 3HB ALA 31 -4.500 -4.727 -6.285 220 HB2 ALA 31 1HB ALA 31 -5.598 -3.543 -5.572 221 HB3 ALA 31 2HB ALA 31 -4.061 -3.903 -4.788 222 H LEU 32 H LEU 32 -1.471 -2.701 -5.722 223 HA LEU 32 HA LEU 32 -1.673 -0.981 -3.503 224 HB2 LEU 32 1HB LEU 32 0.169 -2.597 -3.874 225 HB3 LEU 32 2HB LEU 32 0.762 -1.593 -5.185 226 HG LEU 32 HG LEU 32 0.473 -0.135 -2.662 227 HD11 LEU 32 1HD1 LEU 32 2.574 -1.199 -1.732 228 HD12 LEU 32 2HD1 LEU 32 2.254 -2.548 -2.824 229 HD13 LEU 32 3HD1 LEU 32 1.085 -2.128 -1.576 230 HD21 LEU 32 3HD2 LEU 32 1.617 0.748 -4.642 231 HD22 LEU 32 1HD2 LEU 32 2.798 -0.558 -4.538 232 HD23 LEU 32 2HD2 LEU 32 2.700 0.646 -3.254 233 H ASP 33 H ASP 33 -0.348 -0.371 -6.770 234 HA ASP 33 HA ASP 33 0.078 2.387 -6.349 235 HB2 ASP 33 1HB ASP 33 0.715 2.491 -8.583 236 HB3 ASP 33 2HB ASP 33 1.093 0.840 -8.139 237 H ALA 34 H ALA 34 -2.695 0.559 -7.433 238 HA ALA 34 HA ALA 34 -4.169 2.812 -8.401 239 HB1 ALA 34 3HB ALA 34 -4.731 -0.057 -7.960 240 HB2 ALA 34 1HB ALA 34 -5.041 0.961 -9.367 241 HB3 ALA 34 2HB ALA 34 -6.114 1.039 -7.970 242 H LEU 35 H LEU 35 -4.195 0.944 -5.382 243 HA LEU 35 HA LEU 35 -6.312 2.324 -4.137 244 HB2 LEU 35 1HB LEU 35 -4.124 0.529 -3.263 245 HB3 LEU 35 2HB LEU 35 -4.815 1.559 -2.026 246 HG LEU 35 HG LEU 35 -7.037 0.625 -2.468 247 HD11 LEU 35 1HD1 LEU 35 -7.519 -0.921 -4.090 248 HD12 LEU 35 2HD1 LEU 35 -5.854 -1.489 -4.201 249 HD13 LEU 35 3HD1 LEU 35 -6.309 0.057 -4.919 250 HD21 LEU 35 3HD2 LEU 35 -6.671 -1.097 -1.074 251 HD22 LEU 35 1HD2 LEU 35 -4.996 -0.549 -1.097 252 HD23 LEU 35 2HD2 LEU 35 -5.510 -1.858 -2.160 253 H VAL 36 H VAL 36 -2.888 2.990 -4.434 254 HA VAL 36 HA VAL 36 -3.008 5.206 -2.553 255 HB VAL 36 HB VAL 36 -0.711 4.328 -4.313 256 HG11 VAL 36 1HG1 VAL 36 -1.064 6.464 -2.297 257 HG12 VAL 36 2HG1 VAL 36 -0.015 6.399 -3.713 258 HG13 VAL 36 3HG1 VAL 36 0.447 5.558 -2.234 259 HG21 VAL 36 3HG2 VAL 36 -1.676 2.714 -2.497 260 HG22 VAL 36 1HG2 VAL 36 -0.852 3.797 -1.375 261 HG23 VAL 36 2HG2 VAL 36 0.066 2.959 -2.625 262 H GLY 37 H GLY 37 -2.870 4.676 -6.033 263 HA2 GLY 37 1HA GLY 37 -2.782 7.574 -6.490 264 HA3 GLY 37 2HA GLY 37 -2.475 6.335 -7.694 265 H ALA 38 H ALA 38 -5.233 5.860 -5.659 266 HA ALA 38 HA ALA 38 -7.022 5.813 -7.839 267 HB1 ALA 38 3HB ALA 38 -8.793 5.622 -6.153 268 HB2 ALA 38 1HB ALA 38 -7.633 6.036 -4.892 269 HB3 ALA 38 2HB ALA 38 -7.445 4.539 -5.808 270 H HIS 39 H HIS 39 -6.646 8.168 -5.209 271 HA HIS 39 HA HIS 39 -6.622 10.475 -5.447 272 HB2 HIS 39 1HB HIS 39 -8.547 10.102 -7.731 273 HB3 HIS 39 2HB HIS 39 -7.952 11.622 -7.114 274 HD1 HIS 39 HD1 HIS 39 -7.512 10.338 -10.044 275 HD2 HIS 39 HD2 HIS 39 -4.734 10.610 -6.967 276 HE1 HIS 39 HE1 HIS 39 -5.264 10.226 -11.158 277 HE2 HIS 39 HE2 HIS 39 -3.605 10.223 -9.262 278 HA PRO 40 HA PRO 40 -11.408 10.820 -4.469 279 HB2 PRO 40 1HB PRO 40 -12.091 7.938 -4.469 280 HB3 PRO 40 2HB PRO 40 -13.055 9.321 -4.992 281 HG2 PRO 40 1HG PRO 40 -11.952 7.662 -6.767 282 HG3 PRO 40 2HG PRO 40 -12.049 9.406 -7.070 283 HD2 PRO 40 1HD PRO 40 -9.703 7.752 -6.255 284 HD3 PRO 40 2HD PRO 40 -9.779 9.155 -7.335 285 H ALA 41 H ALA 41 -9.230 8.263 -3.532 286 HA ALA 41 HA ALA 41 -10.254 7.687 -0.970 287 HB1 ALA 41 3HB ALA 41 -7.549 7.398 -2.227 288 HB2 ALA 41 1HB ALA 41 -8.697 6.148 -1.750 289 HB3 ALA 41 2HB ALA 41 -7.796 7.032 -0.519 290 H LEU 42 H LEU 42 -8.306 10.308 -2.198 291 HA LEU 42 HA LEU 42 -8.428 11.575 0.444 292 HB2 LEU 42 1HB LEU 42 -6.178 12.331 0.333 293 HB3 LEU 42 2HB LEU 42 -6.167 10.601 0.059 294 HG LEU 42 HG LEU 42 -6.121 12.517 -2.255 295 HD11 LEU 42 1HD1 LEU 42 -4.216 13.325 -1.362 296 HD12 LEU 42 2HD1 LEU 42 -3.538 11.846 -2.041 297 HD13 LEU 42 3HD1 LEU 42 -3.966 11.916 -0.333 298 HD21 LEU 42 3HD2 LEU 42 -4.574 10.089 -2.466 299 HD22 LEU 42 1HD2 LEU 42 -5.889 10.677 -3.484 300 HD23 LEU 42 2HD2 LEU 42 -6.247 9.742 -2.033 301 H GLU 43 H GLU 43 -9.971 11.841 -2.087 302 HA GLU 43 HA GLU 43 -10.999 13.524 -3.216 303 HB2 GLU 43 1HB GLU 43 -10.299 14.754 -0.929 304 HB3 GLU 43 2HB GLU 43 -9.333 15.688 -2.062 305 HG2 GLU 43 1HG GLU 43 -12.140 15.261 -2.833 306 HG3 GLU 43 2HG GLU 43 -11.878 16.265 -1.408 307 H SER 44 H SER 44 -10.700 14.305 -5.232 308 HA SER 44 HA SER 44 -8.319 13.807 -6.597 309 HB2 SER 44 1HB SER 44 -10.758 15.429 -7.284 310 HB3 SER 44 2HB SER 44 -9.394 15.313 -8.396 311 HG SER 44 HG SER 44 -9.659 13.046 -8.368 312 H ARG 45 H ARG 45 -9.549 16.816 -5.192 313 HA ARG 45 HA ARG 45 -8.569 18.815 -4.755 314 HB2 ARG 45 1HB ARG 45 -6.238 16.940 -4.741 315 HB3 ARG 45 2HB ARG 45 -5.940 18.669 -4.637 316 HG2 ARG 45 1HG ARG 45 -7.102 18.854 -2.602 317 HG3 ARG 45 2HG ARG 45 -7.835 17.260 -2.785 318 HD2 ARG 45 1HD ARG 45 -6.084 16.247 -1.844 319 HD3 ARG 45 2HD ARG 45 -4.939 17.136 -2.848 320 HE ARG 45 HE ARG 45 -5.853 18.897 -0.909 321 HH11 ARG 45 1HH1 ARG 45 -4.048 15.897 -1.026 322 HH12 ARG 45 2HH1 ARG 45 -3.149 16.240 0.414 323 HH21 ARG 45 1HH2 ARG 45 -4.664 19.343 0.981 324 HH22 ARG 45 2HH2 ARG 45 -3.502 18.195 1.554 325 H VAL 46 H VAL 46 -9.406 19.466 -6.871 326 HA VAL 46 HA VAL 46 -7.294 19.903 -8.874 327 HB VAL 46 HB VAL 46 -10.271 20.153 -9.329 328 HG11 VAL 46 1HG1 VAL 46 -9.417 21.242 -11.120 329 HG12 VAL 46 2HG1 VAL 46 -9.216 19.601 -11.732 330 HG13 VAL 46 3HG1 VAL 46 -7.850 20.440 -11.000 331 HG21 VAL 46 3HG2 VAL 46 -9.642 17.914 -10.661 332 HG22 VAL 46 1HG2 VAL 46 -10.238 17.909 -9.002 333 HG23 VAL 46 2HG2 VAL 46 -8.508 17.777 -9.317 334 H PHE 47 H PHE 47 -6.651 21.621 -7.259 335 HA PHE 47 HA PHE 47 -7.869 24.151 -8.079 336 HB2 PHE 47 1HB PHE 47 -7.989 25.019 -5.834 337 HB3 PHE 47 2HB PHE 47 -8.883 23.508 -5.894 338 HD1 PHE 47 HD1 PHE 47 -7.573 21.381 -5.134 339 HD2 PHE 47 HD2 PHE 47 -6.442 25.369 -4.163 340 HE1 PHE 47 HE1 PHE 47 -6.264 20.544 -3.227 341 HE2 PHE 47 HE2 PHE 47 -5.132 24.537 -2.257 342 HZ PHE 47 HZ PHE 47 -5.039 22.122 -1.786 343 H GLY 48 H GLY 48 -5.189 22.616 -6.295 344 HA2 GLY 48 1HA GLY 48 -3.468 24.904 -6.788 345 HA3 GLY 48 2HA GLY 48 -3.039 23.444 -5.907 346 H ASP 49 H ASP 49 -3.116 21.418 -7.414 347 HA ASP 49 HA ASP 49 -2.541 21.661 -10.147 348 HB2 ASP 49 1HB ASP 49 -0.382 22.494 -8.591 349 HB3 ASP 49 2HB ASP 49 0.018 20.837 -9.033 350 H ASP 50 H ASP 50 -1.956 19.645 -11.126 351 HA ASP 50 HA ASP 50 -2.340 17.326 -9.349 352 HB2 ASP 50 1HB ASP 50 -3.461 17.880 -12.089 353 HB3 ASP 50 2HB ASP 50 -3.331 16.240 -11.466 354 H GLY 51 H GLY 51 0.180 18.555 -10.174 355 HA2 GLY 51 1HA GLY 51 1.281 16.472 -11.947 356 HA3 GLY 51 2HA GLY 51 2.003 18.051 -11.672 357 H GLU 52 H GLU 52 3.408 18.338 -10.010 358 HA GLU 52 HA GLU 52 4.926 17.812 -8.414 359 HB2 GLU 52 1HB GLU 52 2.408 16.635 -7.508 360 HB3 GLU 52 2HB GLU 52 3.821 15.833 -6.837 361 HG2 GLU 52 1HG GLU 52 3.357 17.477 -5.282 362 HG3 GLU 52 2HG GLU 52 4.635 18.198 -6.259 363 H LEU 53 H LEU 53 6.514 16.889 -9.671 364 HA LEU 53 HA LEU 53 6.414 14.011 -10.180 365 HB2 LEU 53 1HB LEU 53 7.754 16.310 -11.393 366 HB3 LEU 53 2HB LEU 53 8.814 14.929 -11.193 367 HG LEU 53 HG LEU 53 7.048 13.556 -12.397 368 HD11 LEU 53 1HD1 LEU 53 5.444 14.723 -13.762 369 HD12 LEU 53 2HD1 LEU 53 6.032 16.282 -13.183 370 HD13 LEU 53 3HD1 LEU 53 5.210 15.182 -12.077 371 HD21 LEU 53 3HD2 LEU 53 9.169 14.382 -13.408 372 HD22 LEU 53 1HD2 LEU 53 8.289 15.800 -13.983 373 HD23 LEU 53 2HD2 LEU 53 7.852 14.194 -14.564 374 H TYR 54 H TYR 54 7.003 15.398 -7.473 375 HA TYR 54 HA TYR 54 9.399 13.802 -6.884 376 HB2 TYR 54 1HB TYR 54 8.889 16.475 -5.581 377 HB3 TYR 54 2HB TYR 54 10.355 15.503 -5.526 378 HD1 TYR 54 HD1 TYR 54 11.158 14.941 -8.141 379 HD2 TYR 54 HD2 TYR 54 9.141 18.422 -6.756 380 HE1 TYR 54 HE1 TYR 54 12.070 16.216 -10.033 381 HE2 TYR 54 HE2 TYR 54 10.047 19.707 -8.647 382 HH TYR 54 HH TYR 54 11.064 18.638 -11.280 383 H ASP 55 H ASP 55 9.160 12.457 -5.211 384 HA ASP 55 HA ASP 55 7.188 13.073 -3.134 385 HB2 ASP 55 1HB ASP 55 6.456 10.647 -3.193 386 HB3 ASP 55 2HB ASP 55 5.921 11.637 -4.547 387 H HIS 56 H HIS 56 7.608 12.164 -1.112 388 HA HIS 56 HA HIS 56 10.060 10.592 -0.810 389 HB2 HIS 56 1HB HIS 56 9.529 13.311 0.323 390 HB3 HIS 56 2HB HIS 56 10.486 12.164 1.257 391 HD1 HIS 56 HD1 HIS 56 10.754 14.627 -1.393 392 HD2 HIS 56 HD2 HIS 56 12.849 11.231 -0.233 393 HE1 HIS 56 HE1 HIS 56 12.999 14.808 -2.510 394 HE2 HIS 56 HE2 HIS 56 14.204 12.685 -1.887 395 H ILE 57 H ILE 57 9.664 8.874 0.428 396 HA ILE 57 HA ILE 57 8.345 8.981 2.918 397 HB ILE 57 HB ILE 57 6.318 9.202 1.568 398 HG12 ILE 57 1HG1 ILE 57 6.055 6.386 2.440 399 HG13 ILE 57 2HG1 ILE 57 6.675 7.502 3.652 400 HG21 ILE 57 1HG2 ILE 57 7.464 7.829 -0.352 401 HG22 ILE 57 2HG2 ILE 57 5.711 7.834 -0.164 402 HG23 ILE 57 3HG2 ILE 57 6.658 6.471 0.434 403 HD11 ILE 57 3HD1 ILE 57 4.688 8.947 3.209 404 HD12 ILE 57 1HD1 ILE 57 4.325 7.375 3.917 405 HD13 ILE 57 2HD1 ILE 57 4.053 7.650 2.197 406 H ASN 58 H ASN 58 8.595 7.078 4.087 407 HA ASN 58 HA ASN 58 10.327 5.093 2.817 408 HB2 ASN 58 1HB ASN 58 9.962 6.106 5.574 409 HB3 ASN 58 2HB ASN 58 10.314 4.387 5.437 410 HD21 ASN 58 2HD2 ASN 58 11.421 7.383 3.861 411 HD22 ASN 58 1HD2 ASN 58 13.106 7.038 4.023 412 H VAL 59 H VAL 59 10.013 2.779 3.635 413 HA VAL 59 HA VAL 59 7.186 2.119 4.043 414 HB VAL 59 HB VAL 59 7.563 1.995 1.623 415 HG11 VAL 59 1HG1 VAL 59 10.048 1.406 1.948 416 HG12 VAL 59 2HG1 VAL 59 9.182 0.674 0.597 417 HG13 VAL 59 3HG1 VAL 59 9.487 -0.262 2.061 418 HG21 VAL 59 3HG2 VAL 59 6.001 0.431 2.735 419 HG22 VAL 59 1HG2 VAL 59 7.301 -0.759 2.830 420 HG23 VAL 59 2HG2 VAL 59 6.702 -0.228 1.259 421 H LEU 60 H LEU 60 6.798 0.267 5.213 422 HA LEU 60 HA LEU 60 9.135 -0.898 6.523 423 HB2 LEU 60 1HB LEU 60 6.852 -0.017 7.603 424 HB3 LEU 60 2HB LEU 60 6.374 -1.675 7.298 425 HG LEU 60 HG LEU 60 7.164 -1.488 9.562 426 HD11 LEU 60 1HD1 LEU 60 9.237 -2.868 7.860 427 HD12 LEU 60 2HD1 LEU 60 7.698 -3.558 8.374 428 HD13 LEU 60 3HD1 LEU 60 8.929 -3.162 9.571 429 HD21 LEU 60 3HD2 LEU 60 8.729 0.510 8.791 430 HD22 LEU 60 1HD2 LEU 60 9.929 -0.782 8.753 431 HD23 LEU 60 2HD2 LEU 60 9.058 -0.431 10.246 432 H ARG 61 H ARG 61 9.949 -2.741 5.790 433 HA ARG 61 HA ARG 61 8.123 -4.709 4.577 434 HB2 ARG 61 1HB ARG 61 10.786 -3.722 3.606 435 HB3 ARG 61 2HB ARG 61 10.258 -5.352 3.217 436 HG2 ARG 61 1HG ARG 61 8.227 -4.423 2.179 437 HG3 ARG 61 2HG ARG 61 8.823 -2.798 2.521 438 HD2 ARG 61 1HD ARG 61 10.642 -4.628 1.063 439 HD3 ARG 61 2HD ARG 61 9.230 -4.033 0.190 440 HE ARG 61 HE ARG 61 10.539 -1.883 1.460 441 HH11 ARG 61 1HH1 ARG 61 10.958 -4.099 -1.215 442 HH12 ARG 61 2HH1 ARG 61 11.895 -2.987 -2.150 443 HH21 ARG 61 1HH2 ARG 61 11.781 -0.420 0.222 444 HH22 ARG 61 2HH2 ARG 61 12.364 -0.901 -1.337 445 H ASN 62 H ASN 62 8.538 -6.877 5.007 446 HA ASN 62 HA ASN 62 9.793 -7.446 7.488 447 HB2 ASN 62 1HB ASN 62 7.891 -8.692 6.002 448 HB3 ASN 62 2HB ASN 62 9.281 -9.722 5.674 449 HD21 ASN 62 2HD2 ASN 62 7.698 -8.107 8.418 450 HD22 ASN 62 1HD2 ASN 62 7.878 -9.432 9.512 451 H GLY 63 H GLY 63 11.125 -7.068 4.401 452 HA2 GLY 63 1HA GLY 63 13.553 -7.066 4.273 453 HA3 GLY 63 2HA GLY 63 13.547 -8.528 5.245 454 H GLU 64 H GLU 64 11.202 -8.181 2.703 455 HA GLU 64 HA GLU 64 12.721 -10.099 1.058 456 HB2 GLU 64 1HB GLU 64 10.426 -10.689 2.314 457 HB3 GLU 64 2HB GLU 64 9.757 -9.986 0.848 458 HG2 GLU 64 1HG GLU 64 10.657 -11.639 -0.509 459 HG3 GLU 64 2HG GLU 64 11.855 -12.111 0.695 460 H ALA 65 H ALA 65 12.027 -10.084 -1.279 461 HA ALA 65 HA ALA 65 12.310 -7.468 -2.334 462 HB1 ALA 65 3HB ALA 65 13.179 -9.512 -3.430 463 HB2 ALA 65 1HB ALA 65 12.206 -8.508 -4.505 464 HB3 ALA 65 2HB ALA 65 11.522 -9.977 -3.810 465 H ALA 66 H ALA 66 10.821 -5.997 -2.803 466 HA ALA 66 HA ALA 66 8.116 -6.268 -2.162 467 HB1 ALA 66 3HB ALA 66 9.776 -4.182 -2.894 468 HB2 ALA 66 1HB ALA 66 8.061 -4.067 -2.505 469 HB3 ALA 66 2HB ALA 66 8.575 -4.237 -4.183 470 H ALA 67 H ALA 67 6.387 -7.020 -3.215 471 HA ALA 67 HA ALA 67 6.761 -8.025 -5.942 472 HB1 ALA 67 3HB ALA 67 4.842 -9.422 -5.535 473 HB2 ALA 67 1HB ALA 67 4.504 -8.583 -4.020 474 HB3 ALA 67 2HB ALA 67 5.957 -9.571 -4.176 475 H LEU 68 H LEU 68 5.661 -7.241 -7.664 476 HA LEU 68 HA LEU 68 3.530 -5.271 -7.163 477 HB2 LEU 68 1HB LEU 68 6.043 -4.681 -8.178 478 HB3 LEU 68 2HB LEU 68 5.031 -4.768 -9.603 479 HG LEU 68 HG LEU 68 3.954 -3.173 -7.358 480 HD11 LEU 68 1HD1 LEU 68 5.433 -1.250 -8.465 481 HD12 LEU 68 2HD1 LEU 68 6.558 -2.599 -8.635 482 HD13 LEU 68 3HD1 LEU 68 5.948 -2.155 -7.041 483 HD21 LEU 68 3HD2 LEU 68 3.174 -1.768 -9.135 484 HD22 LEU 68 1HD2 LEU 68 2.854 -3.446 -9.577 485 HD23 LEU 68 2HD2 LEU 68 4.213 -2.585 -10.303 486 H GLY 69 H GLY 69 5.045 -6.954 -9.941 487 HA2 GLY 69 1HA GLY 69 2.401 -7.330 -11.118 488 HA3 GLY 69 2HA GLY 69 3.941 -7.652 -11.897 489 H GLU 70 H GLU 70 2.686 -8.834 -8.780 490 HA GLU 70 HA GLU 70 2.103 -11.441 -9.780 491 HB2 GLU 70 1HB GLU 70 4.782 -11.015 -9.353 492 HB3 GLU 70 2HB GLU 70 4.272 -11.709 -7.821 493 HG2 GLU 70 1HG GLU 70 3.499 -13.686 -8.873 494 HG3 GLU 70 2HG GLU 70 3.662 -12.972 -10.478 495 H ALA 71 H ALA 71 0.169 -11.258 -8.676 496 HA ALA 71 HA ALA 71 -0.003 -10.507 -5.932 497 HB1 ALA 71 3HB ALA 71 -1.848 -11.310 -8.046 498 HB2 ALA 71 1HB ALA 71 -2.054 -10.141 -6.741 499 HB3 ALA 71 2HB ALA 71 -2.331 -11.855 -6.441 500 H THR 72 H THR 72 1.033 -13.376 -7.392 501 HA THR 72 HA THR 72 0.123 -15.101 -5.228 502 HB THR 72 HB THR 72 1.596 -16.766 -6.686 503 HG1 THR 72 HG1 THR 72 2.426 -15.399 -8.173 504 HG21 THR 72 3HG2 THR 72 -1.104 -16.251 -6.524 505 HG22 THR 72 1HG2 THR 72 -0.344 -17.620 -7.337 506 HG23 THR 72 2HG2 THR 72 -0.764 -16.173 -8.253 507 H ALA 73 H ALA 73 1.957 -13.007 -4.533 508 HA ALA 73 HA ALA 73 4.495 -14.394 -4.074 509 HB1 ALA 73 3HB ALA 73 5.318 -12.190 -3.339 510 HB2 ALA 73 1HB ALA 73 3.714 -11.516 -3.625 511 HB3 ALA 73 2HB ALA 73 4.657 -12.150 -4.972 512 H ALA 74 H ALA 74 5.511 -14.091 -1.895 513 HA ALA 74 HA ALA 74 3.831 -15.155 0.118 514 HB1 ALA 74 3HB ALA 74 6.035 -15.808 0.351 515 HB2 ALA 74 1HB ALA 74 5.890 -14.567 1.597 516 HB3 ALA 74 2HB ALA 74 6.657 -14.185 0.056 517 H GLY 75 H GLY 75 4.977 -11.893 -0.575 518 HA2 GLY 75 1HA GLY 75 2.864 -10.648 0.787 519 HA3 GLY 75 2HA GLY 75 4.261 -10.673 1.854 520 H ASP 76 H ASP 76 3.616 -8.252 1.462 521 HA ASP 76 HA ASP 76 5.356 -7.260 -0.696 522 HB2 ASP 76 1HB ASP 76 2.607 -6.847 -0.518 523 HB3 ASP 76 2HB ASP 76 3.308 -5.353 0.092 524 H GLU 77 H GLU 77 3.618 -5.693 1.975 525 HA GLU 77 HA GLU 77 6.124 -5.127 3.337 526 HB2 GLU 77 1HB GLU 77 5.420 -2.661 3.470 527 HB3 GLU 77 2HB GLU 77 6.106 -3.217 1.950 528 HG2 GLU 77 1HG GLU 77 3.647 -3.603 1.261 529 HG3 GLU 77 2HG GLU 77 3.277 -2.530 2.608 530 H LEU 78 H LEU 78 5.439 -3.515 5.278 531 HA LEU 78 HA LEU 78 3.149 -4.836 6.576 532 HB2 LEU 78 1HB LEU 78 5.781 -3.870 7.532 533 HB3 LEU 78 2HB LEU 78 4.427 -3.630 8.618 534 HG LEU 78 HG LEU 78 5.663 -5.707 9.096 535 HD11 LEU 78 1HD1 LEU 78 2.936 -6.388 8.037 536 HD12 LEU 78 2HD1 LEU 78 3.182 -5.427 9.495 537 HD13 LEU 78 3HD1 LEU 78 3.782 -7.083 9.419 538 HD21 LEU 78 3HD2 LEU 78 4.660 -6.683 6.429 539 HD22 LEU 78 1HD2 LEU 78 5.661 -7.559 7.586 540 HD23 LEU 78 2HD2 LEU 78 6.315 -6.161 6.733 541 H ALA 79 H ALA 79 4.595 -1.745 5.759 542 HA ALA 79 HA ALA 79 2.103 -0.381 5.942 543 HB1 ALA 79 3HB ALA 79 2.660 -0.462 8.333 544 HB2 ALA 79 1HB ALA 79 2.676 1.190 7.718 545 HB3 ALA 79 2HB ALA 79 4.195 0.338 8.001 546 H LEU 80 H LEU 80 2.443 2.047 5.572 547 HA LEU 80 HA LEU 80 4.931 2.639 4.136 548 HB2 LEU 80 1HB LEU 80 2.442 2.093 2.885 549 HB3 LEU 80 2HB LEU 80 2.729 3.815 2.724 550 HG LEU 80 HG LEU 80 4.700 1.690 1.881 551 HD11 LEU 80 1HD1 LEU 80 2.412 1.864 0.660 552 HD12 LEU 80 2HD1 LEU 80 3.904 1.792 -0.277 553 HD13 LEU 80 3HD1 LEU 80 3.096 3.339 -0.022 554 HD21 LEU 80 3HD2 LEU 80 6.010 3.541 2.099 555 HD22 LEU 80 1HD2 LEU 80 4.668 4.659 1.857 556 HD23 LEU 80 2HD2 LEU 80 5.387 3.832 0.475 557 H PHE 81 H PHE 81 5.627 4.154 5.599 558 HA PHE 81 HA PHE 81 4.037 6.609 5.761 559 HB2 PHE 81 1HB PHE 81 4.422 6.824 8.162 560 HB3 PHE 81 2HB PHE 81 3.559 5.331 7.813 561 HD1 PHE 81 HD1 PHE 81 5.150 3.222 7.478 562 HD2 PHE 81 HD2 PHE 81 6.168 6.745 9.642 563 HE1 PHE 81 HE1 PHE 81 6.851 1.960 8.729 564 HE2 PHE 81 HE2 PHE 81 7.869 5.487 10.895 565 HZ PHE 81 HZ PHE 81 8.216 3.093 10.439 566 HA PRO 82 HA PRO 82 7.809 8.732 4.945 567 HB2 PRO 82 1HB PRO 82 7.567 10.927 6.589 568 HB3 PRO 82 2HB PRO 82 6.757 10.756 5.028 569 HG2 PRO 82 1HG PRO 82 5.690 10.280 7.781 570 HG3 PRO 82 2HG PRO 82 4.906 11.056 6.391 571 HD2 PRO 82 1HD PRO 82 4.342 8.527 7.098 572 HD3 PRO 82 2HD PRO 82 4.384 9.031 5.397 573 HA PRO 83 HA PRO 83 10.782 7.628 8.022 574 HB2 PRO 83 1HB PRO 83 12.792 9.378 7.455 575 HB3 PRO 83 2HB PRO 83 12.424 7.965 6.458 576 HG2 PRO 83 1HG PRO 83 11.668 10.829 6.044 577 HG3 PRO 83 2HG PRO 83 12.222 9.633 4.859 578 HD2 PRO 83 1HD PRO 83 9.612 10.305 5.151 579 HD3 PRO 83 2HD PRO 83 10.134 8.684 4.651 580 H VAL 84 H VAL 84 10.232 11.137 7.669 581 HA VAL 84 HA VAL 84 10.827 11.492 10.524 582 HB VAL 84 HB VAL 84 10.386 13.658 8.463 583 HG11 VAL 84 1HG1 VAL 84 10.885 15.172 10.065 584 HG12 VAL 84 2HG1 VAL 84 12.037 14.105 10.867 585 HG13 VAL 84 3HG1 VAL 84 10.307 13.901 11.143 586 HG21 VAL 84 3HG2 VAL 84 12.966 13.843 8.726 587 HG22 VAL 84 1HG2 VAL 84 12.291 12.632 7.634 588 HG23 VAL 84 2HG2 VAL 84 12.857 12.158 9.236 589 H SER 85 H SER 85 9.200 11.656 11.929 590 HA SER 85 HA SER 85 6.482 11.680 11.078 591 HB2 SER 85 1HB SER 85 7.247 12.294 13.907 592 HB3 SER 85 2HB SER 85 5.922 11.304 13.296 593 HG SER 85 HG SER 85 8.439 10.574 13.980 594 H GLY 86 H GLY 86 4.857 13.256 11.630 595 HA2 GLY 86 1HA GLY 86 5.816 15.952 12.253 596 HA3 GLY 86 2HA GLY 86 5.017 15.714 10.707 597 H GLY 87 H GLY 87 4.526 15.147 14.192 598 HA2 GLY 87 1HA GLY 87 1.761 16.094 13.866 599 HA3 GLY 87 2HA GLY 87 2.041 14.549 14.652 Start of MODEL 12 1 H1 MET 1 1H MET 1 -0.216 -9.981 1.101 2 H2 MET 1 2H MET 1 0.991 -9.035 1.865 3 H3 MET 1 3H MET 1 1.251 -9.649 0.285 4 HA MET 1 HA MET 1 0.744 -7.473 -0.056 5 HB2 MET 1 1HB MET 1 -0.537 -9.101 -1.428 6 HB3 MET 1 2HB MET 1 -1.862 -8.996 -0.279 7 HG2 MET 1 1HG MET 1 -1.783 -6.458 -0.807 8 HG3 MET 1 2HG MET 1 -0.899 -6.965 -2.243 9 HE1 MET 1 3HE MET 1 -5.313 -6.794 -1.748 10 HE2 MET 1 1HE MET 1 -4.037 -5.599 -1.516 11 HE3 MET 1 2HE MET 1 -4.255 -6.894 -0.340 12 H GLU 2 H GLU 2 1.026 -6.512 2.067 13 HA GLU 2 HA GLU 2 -1.531 -5.678 3.279 14 HB2 GLU 2 1HB GLU 2 1.123 -5.803 4.718 15 HB3 GLU 2 2HB GLU 2 -0.460 -5.509 5.422 16 HG2 GLU 2 1HG GLU 2 -1.075 -7.723 5.308 17 HG3 GLU 2 2HG GLU 2 0.060 -8.081 4.007 18 H TRP 3 H TRP 3 -1.738 -3.479 3.845 19 HA TRP 3 HA TRP 3 0.449 -1.665 3.229 20 HB2 TRP 3 1HB TRP 3 -1.082 -2.208 1.138 21 HB3 TRP 3 2HB TRP 3 -2.164 -1.052 1.905 22 HD1 TRP 3 HD TRP 3 0.246 0.919 2.931 23 HE1 TRP 3 HE1 TRP 3 1.359 2.442 1.186 24 HE3 TRP 3 HE3 TRP 3 -1.044 -1.624 -1.313 25 HZ2 TRP 3 HZ2 TRP 3 1.659 2.553 -1.620 26 HZ3 TRP 3 HZ3 TRP 3 -0.304 -0.742 -3.486 27 HH2 TRP 3 HH TRP 3 1.019 1.304 -3.634 28 H LYS 4 H LYS 4 0.501 -0.110 4.709 29 HA LYS 4 HA LYS 4 -2.000 0.655 6.073 30 HB2 LYS 4 1HB LYS 4 0.481 -0.350 7.173 31 HB3 LYS 4 2HB LYS 4 0.139 1.260 7.791 32 HG2 LYS 4 1HG LYS 4 -2.264 -0.255 7.884 33 HG3 LYS 4 2HG LYS 4 -0.968 -1.212 8.603 34 HD2 LYS 4 1HD LYS 4 -0.431 0.553 10.136 35 HD3 LYS 4 2HD LYS 4 -1.547 1.656 9.330 36 HE2 LYS 4 1HE LYS 4 -3.274 -0.274 9.922 37 HE3 LYS 4 2HE LYS 4 -2.097 -0.588 11.199 38 HZ1 LYS 4 3HZ LYS 4 -3.678 0.911 12.071 39 HZ2 LYS 4 1HZ LYS 4 -3.611 1.915 10.710 40 HZ3 LYS 4 2HZ LYS 4 -2.293 1.831 11.766 41 H LEU 5 H LEU 5 -2.233 2.862 6.623 42 HA LEU 5 HA LEU 5 -0.185 4.704 5.621 43 HB2 LEU 5 1HB LEU 5 -2.989 4.459 4.638 44 HB3 LEU 5 2HB LEU 5 -2.283 6.059 4.743 45 HG LEU 5 HG LEU 5 -0.351 5.110 3.341 46 HD11 LEU 5 1HD1 LEU 5 -0.404 2.944 2.889 47 HD12 LEU 5 2HD1 LEU 5 -1.819 3.237 1.882 48 HD13 LEU 5 3HD1 LEU 5 -2.021 2.782 3.573 49 HD21 LEU 5 3HD2 LEU 5 -2.754 6.333 2.665 50 HD22 LEU 5 1HD2 LEU 5 -2.585 5.009 1.513 51 HD23 LEU 5 2HD2 LEU 5 -1.307 6.213 1.666 52 H PHE 6 H PHE 6 -0.289 6.828 6.491 53 HA PHE 6 HA PHE 6 -1.620 6.931 9.102 54 HB2 PHE 6 1HB PHE 6 0.949 7.442 8.486 55 HB3 PHE 6 2HB PHE 6 0.285 9.060 8.284 56 HD1 PHE 6 HD2 PHE 6 0.001 6.248 10.733 57 HD2 PHE 6 HD1 PHE 6 0.457 10.433 10.103 58 HE1 PHE 6 HE2 PHE 6 0.135 6.596 13.166 59 HE2 PHE 6 HE1 PHE 6 0.593 10.788 12.534 60 HZ PHE 6 HZ PHE 6 0.430 8.868 14.069 61 H ALA 7 H ALA 7 -2.079 9.417 9.729 62 HA ALA 7 HA ALA 7 -4.372 10.200 8.386 63 HB1 ALA 7 3HB ALA 7 -2.542 11.920 10.047 64 HB2 ALA 7 1HB ALA 7 -3.905 10.963 10.627 65 HB3 ALA 7 2HB ALA 7 -4.186 12.341 9.564 66 H ASP 8 H ASP 8 -1.033 11.030 7.670 67 HA ASP 8 HA ASP 8 -1.309 13.300 6.123 68 HB2 ASP 8 1HB ASP 8 0.522 10.921 5.821 69 HB3 ASP 8 2HB ASP 8 0.625 12.313 4.748 70 H LEU 9 H LEU 9 -1.992 9.958 5.294 71 HA LEU 9 HA LEU 9 -3.074 10.822 2.696 72 HB2 LEU 9 1HB LEU 9 -2.348 8.012 3.508 73 HB3 LEU 9 2HB LEU 9 -2.703 8.602 1.895 74 HG LEU 9 HG LEU 9 -0.586 10.152 2.419 75 HD11 LEU 9 1HD1 LEU 9 0.830 9.453 4.000 76 HD12 LEU 9 2HD1 LEU 9 0.560 7.750 3.629 77 HD13 LEU 9 3HD1 LEU 9 -0.567 8.614 4.674 78 HD21 LEU 9 3HD2 LEU 9 0.212 7.424 1.666 79 HD22 LEU 9 1HD2 LEU 9 0.426 8.953 0.811 80 HD23 LEU 9 2HD2 LEU 9 -1.121 8.110 0.735 81 H ALA 10 H ALA 10 -4.004 9.847 5.805 82 HA ALA 10 HA ALA 10 -6.494 8.610 4.911 83 HB1 ALA 10 3HB ALA 10 -6.743 7.741 7.009 84 HB2 ALA 10 1HB ALA 10 -5.936 9.099 7.790 85 HB3 ALA 10 2HB ALA 10 -4.986 7.877 6.945 86 H GLU 11 H GLU 11 -5.404 11.719 5.433 87 HA GLU 11 HA GLU 11 -7.608 12.853 6.823 88 HB2 GLU 11 1HB GLU 11 -5.176 13.797 5.540 89 HB3 GLU 11 2HB GLU 11 -6.532 14.876 5.240 90 HG2 GLU 11 1HG GLU 11 -6.021 13.930 8.016 91 HG3 GLU 11 2HG GLU 11 -4.998 15.189 7.330 92 H VAL 12 H VAL 12 -6.928 12.319 3.382 93 HA VAL 12 HA VAL 12 -9.405 13.682 2.648 94 HB VAL 12 HB VAL 12 -7.468 12.360 0.762 95 HG11 VAL 12 1HG1 VAL 12 -9.962 13.239 0.248 96 HG12 VAL 12 2HG1 VAL 12 -8.653 13.256 -0.932 97 HG13 VAL 12 3HG1 VAL 12 -9.044 14.719 -0.028 98 HG21 VAL 12 3HG2 VAL 12 -7.383 15.042 2.073 99 HG22 VAL 12 1HG2 VAL 12 -6.779 14.857 0.426 100 HG23 VAL 12 2HG2 VAL 12 -6.070 13.914 1.738 101 H ALA 13 H ALA 13 -8.073 10.415 2.778 102 HA ALA 13 HA ALA 13 -10.459 9.325 1.500 103 HB1 ALA 13 3HB ALA 13 -7.771 8.276 2.180 104 HB2 ALA 13 1HB ALA 13 -8.714 8.113 0.699 105 HB3 ALA 13 2HB ALA 13 -9.108 7.127 2.107 106 H GLY 14 H GLY 14 -8.780 9.138 4.632 107 HA2 GLY 14 1HA GLY 14 -10.194 9.196 6.646 108 HA3 GLY 14 2HA GLY 14 -11.289 8.102 5.809 109 H SER 15 H SER 15 -9.230 6.444 4.677 110 HA SER 15 HA SER 15 -7.487 5.409 6.646 111 HB2 SER 15 1HB SER 15 -9.493 4.636 7.773 112 HB3 SER 15 2HB SER 15 -10.098 3.919 6.281 113 HG SER 15 HG SER 15 -9.106 2.383 7.694 114 H ARG 16 H ARG 16 -5.923 4.382 5.571 115 HA ARG 16 HA ARG 16 -6.601 3.093 3.008 116 HB2 ARG 16 1HB ARG 16 -4.657 5.182 3.611 117 HB3 ARG 16 2HB ARG 16 -3.919 3.798 2.819 118 HG2 ARG 16 1HG ARG 16 -6.435 4.849 1.661 119 HG3 ARG 16 2HG ARG 16 -4.971 5.814 1.467 120 HD2 ARG 16 1HD ARG 16 -5.034 4.437 -0.431 121 HD3 ARG 16 2HD ARG 16 -3.862 3.675 0.643 122 HE ARG 16 HE ARG 16 -5.252 1.864 0.829 123 HH11 ARG 16 1HH1 ARG 16 -7.053 4.520 -0.576 124 HH12 ARG 16 2HH1 ARG 16 -8.433 3.546 -0.957 125 HH21 ARG 16 1HH2 ARG 16 -7.079 0.583 0.320 126 HH22 ARG 16 2HH2 ARG 16 -8.448 1.312 -0.449 127 H THR 17 H THR 17 -6.378 1.940 5.723 128 HA THR 17 HA THR 17 -3.993 0.265 5.453 129 HB THR 17 HB THR 17 -4.276 -0.354 7.745 130 HG1 THR 17 HG1 THR 17 -6.849 0.772 7.472 131 HG21 THR 17 3HG2 THR 17 -4.348 2.473 7.073 132 HG22 THR 17 1HG2 THR 17 -3.318 1.594 8.200 133 HG23 THR 17 2HG2 THR 17 -4.926 2.118 8.699 134 H VAL 18 H VAL 18 -4.244 -1.535 4.310 135 HA VAL 18 HA VAL 18 -6.621 -3.191 4.779 136 HB VAL 18 HB VAL 18 -5.559 -2.839 1.986 137 HG11 VAL 18 1HG1 VAL 18 -7.830 -4.222 3.272 138 HG12 VAL 18 2HG1 VAL 18 -6.885 -4.666 1.852 139 HG13 VAL 18 3HG1 VAL 18 -8.156 -3.450 1.720 140 HG21 VAL 18 3HG2 VAL 18 -7.471 -1.305 1.567 141 HG22 VAL 18 1HG2 VAL 18 -6.243 -0.627 2.636 142 HG23 VAL 18 2HG2 VAL 18 -7.752 -1.244 3.307 143 H ARG 19 H ARG 19 -6.290 -5.403 4.605 144 HA ARG 19 HA ARG 19 -3.564 -6.301 3.953 145 HB2 ARG 19 1HB ARG 19 -5.229 -7.175 6.322 146 HB3 ARG 19 2HB ARG 19 -3.740 -7.958 5.811 147 HG2 ARG 19 1HG ARG 19 -2.748 -5.543 6.057 148 HG3 ARG 19 2HG ARG 19 -4.144 -5.311 7.112 149 HD2 ARG 19 1HD ARG 19 -3.110 -7.759 7.897 150 HD3 ARG 19 2HD ARG 19 -1.680 -6.781 7.577 151 HE ARG 19 HE ARG 19 -2.175 -5.508 9.413 152 HH11 ARG 19 1HH1 ARG 19 -4.985 -7.431 8.592 153 HH12 ARG 19 2HH1 ARG 19 -5.844 -7.020 10.037 154 HH21 ARG 19 1HH2 ARG 19 -3.317 -4.962 11.316 155 HH22 ARG 19 2HH2 ARG 19 -4.896 -5.616 11.583 156 H VAL 20 H VAL 20 -3.422 -8.590 3.361 157 HA VAL 20 HA VAL 20 -5.886 -9.470 2.023 158 HB VAL 20 HB VAL 20 -3.923 -9.090 0.565 159 HG11 VAL 20 1HG1 VAL 20 -2.112 -9.677 2.015 160 HG12 VAL 20 2HG1 VAL 20 -2.079 -10.761 0.625 161 HG13 VAL 20 3HG1 VAL 20 -2.706 -11.330 2.171 162 HG21 VAL 20 3HG2 VAL 20 -4.275 -12.016 0.391 163 HG22 VAL 20 1HG2 VAL 20 -4.519 -10.765 -0.830 164 HG23 VAL 20 2HG2 VAL 20 -5.753 -11.053 0.396 165 H ASP 21 H ASP 21 -6.796 -11.410 2.395 166 HA ASP 21 HA ASP 21 -5.450 -13.266 4.234 167 HB2 ASP 21 1HB ASP 21 -8.001 -11.866 4.579 168 HB3 ASP 21 2HB ASP 21 -8.118 -13.608 4.810 169 H VAL 22 H VAL 22 -8.131 -12.882 1.940 170 HA VAL 22 HA VAL 22 -8.208 -15.718 1.388 171 HB VAL 22 HB VAL 22 -9.968 -15.008 -0.295 172 HG11 VAL 22 1HG1 VAL 22 -11.563 -15.269 1.276 173 HG12 VAL 22 2HG1 VAL 22 -10.904 -14.002 2.311 174 HG13 VAL 22 3HG1 VAL 22 -10.175 -15.608 2.309 175 HG21 VAL 22 3HG2 VAL 22 -8.963 -12.530 -0.048 176 HG22 VAL 22 1HG2 VAL 22 -10.292 -12.436 1.106 177 HG23 VAL 22 2HG2 VAL 22 -10.613 -12.863 -0.575 178 H ASP 23 H ASP 23 -8.235 -16.442 -0.934 179 HA ASP 23 HA ASP 23 -6.126 -15.047 -2.446 180 HB2 ASP 23 1HB ASP 23 -6.673 -17.928 -1.941 181 HB3 ASP 23 2HB ASP 23 -6.045 -17.495 -3.529 182 H GLY 24 H GLY 24 -6.809 -14.056 -4.219 183 HA2 GLY 24 1HA GLY 24 -8.931 -15.319 -5.821 184 HA3 GLY 24 2HA GLY 24 -9.073 -13.625 -5.376 185 H ASP 25 H ASP 25 -8.906 -12.647 -7.341 186 HA ASP 25 HA ASP 25 -6.517 -13.263 -8.957 187 HB2 ASP 25 1HB ASP 25 -9.309 -12.540 -9.665 188 HB3 ASP 25 2HB ASP 25 -8.037 -11.884 -10.690 189 H ALA 26 H ALA 26 -6.564 -11.467 -6.646 190 HA ALA 26 HA ALA 26 -6.246 -8.824 -7.876 191 HB1 ALA 26 3HB ALA 26 -7.569 -9.278 -5.698 192 HB2 ALA 26 1HB ALA 26 -6.483 -7.889 -5.760 193 HB3 ALA 26 2HB ALA 26 -5.979 -9.365 -4.941 194 H THR 27 H THR 27 -4.308 -7.659 -7.756 195 HA THR 27 HA THR 27 -1.946 -9.232 -6.960 196 HB THR 27 HB THR 27 -1.194 -7.273 -8.884 197 HG1 THR 27 HG1 THR 27 -2.504 -7.641 -10.547 198 HG21 THR 27 3HG2 THR 27 0.158 -8.956 -9.313 199 HG22 THR 27 1HG2 THR 27 -1.180 -9.767 -10.125 200 HG23 THR 27 2HG2 THR 27 -0.864 -10.079 -8.418 201 H VAL 28 H VAL 28 0.021 -7.821 -6.578 202 HA VAL 28 HA VAL 28 -0.690 -5.816 -4.643 203 HB VAL 28 HB VAL 28 1.867 -5.545 -4.478 204 HG11 VAL 28 1HG1 VAL 28 0.160 -7.789 -3.626 205 HG12 VAL 28 2HG1 VAL 28 1.120 -6.660 -2.670 206 HG13 VAL 28 3HG1 VAL 28 1.897 -8.033 -3.457 207 HG21 VAL 28 3HG2 VAL 28 2.235 -8.243 -5.559 208 HG22 VAL 28 1HG2 VAL 28 3.266 -6.819 -5.680 209 HG23 VAL 28 2HG2 VAL 28 1.903 -7.016 -6.778 210 H GLY 29 H GLY 29 0.720 -5.894 -7.872 211 HA2 GLY 29 1HA GLY 29 1.265 -3.074 -7.901 212 HA3 GLY 29 2HA GLY 29 1.386 -4.173 -9.264 213 H ASP 30 H ASP 30 -1.343 -5.191 -8.896 214 HA ASP 30 HA ASP 30 -2.750 -3.613 -10.669 215 HB2 ASP 30 1HB ASP 30 -3.459 -5.864 -10.229 216 HB3 ASP 30 2HB ASP 30 -3.738 -5.509 -8.529 217 H ALA 31 H ALA 31 -2.754 -3.507 -7.130 218 HA ALA 31 HA ALA 31 -4.578 -1.233 -7.106 219 HB1 ALA 31 3HB ALA 31 -5.011 -1.734 -4.946 220 HB2 ALA 31 1HB ALA 31 -3.325 -2.100 -4.583 221 HB3 ALA 31 2HB ALA 31 -4.334 -3.300 -5.391 222 H LEU 32 H LEU 32 -1.167 -1.944 -6.669 223 HA LEU 32 HA LEU 32 -0.355 0.401 -5.385 224 HB2 LEU 32 1HB LEU 32 0.995 -1.717 -5.929 225 HB3 LEU 32 2HB LEU 32 1.289 -0.979 -7.491 226 HG LEU 32 HG LEU 32 1.978 1.006 -5.661 227 HD11 LEU 32 1HD1 LEU 32 3.031 0.135 -3.869 228 HD12 LEU 32 2HD1 LEU 32 3.560 -1.304 -4.743 229 HD13 LEU 32 3HD1 LEU 32 1.910 -1.202 -4.128 230 HD21 LEU 32 3HD2 LEU 32 4.366 0.056 -6.334 231 HD22 LEU 32 1HD2 LEU 32 3.337 0.913 -7.483 232 HD23 LEU 32 2HD2 LEU 32 3.392 -0.849 -7.493 233 H ASP 33 H ASP 33 -0.331 -0.302 -8.893 234 HA ASP 33 HA ASP 33 0.462 2.231 -9.751 235 HB2 ASP 33 1HB ASP 33 0.461 0.294 -11.222 236 HB3 ASP 33 2HB ASP 33 -1.296 0.226 -11.177 237 H ALA 34 H ALA 34 -2.759 1.022 -8.955 238 HA ALA 34 HA ALA 34 -4.143 3.324 -9.944 239 HB1 ALA 34 3HB ALA 34 -5.981 2.349 -8.355 240 HB2 ALA 34 1HB ALA 34 -4.901 0.958 -8.284 241 HB3 ALA 34 2HB ALA 34 -5.545 1.497 -9.836 242 H LEU 35 H LEU 35 -3.363 2.166 -6.659 243 HA LEU 35 HA LEU 35 -4.291 4.437 -5.287 244 HB2 LEU 35 1HB LEU 35 -2.543 2.130 -4.653 245 HB3 LEU 35 2HB LEU 35 -2.383 3.534 -3.618 246 HG LEU 35 HG LEU 35 -4.724 3.415 -3.003 247 HD11 LEU 35 1HD1 LEU 35 -5.839 1.135 -3.823 248 HD12 LEU 35 2HD1 LEU 35 -4.830 1.467 -5.231 249 HD13 LEU 35 3HD1 LEU 35 -6.021 2.655 -4.700 250 HD21 LEU 35 3HD2 LEU 35 -3.651 0.617 -2.795 251 HD22 LEU 35 1HD2 LEU 35 -4.630 1.515 -1.634 252 HD23 LEU 35 2HD2 LEU 35 -2.943 1.959 -1.898 253 H VAL 36 H VAL 36 -1.341 3.868 -7.043 254 HA VAL 36 HA VAL 36 -0.037 6.191 -5.851 255 HB VAL 36 HB VAL 36 0.937 4.264 -7.965 256 HG11 VAL 36 1HG1 VAL 36 2.434 6.493 -6.589 257 HG12 VAL 36 2HG1 VAL 36 1.884 6.512 -8.264 258 HG13 VAL 36 3HG1 VAL 36 3.103 5.346 -7.750 259 HG21 VAL 36 3HG2 VAL 36 2.086 3.145 -6.331 260 HG22 VAL 36 1HG2 VAL 36 0.665 3.650 -5.417 261 HG23 VAL 36 2HG2 VAL 36 2.173 4.553 -5.272 262 H GLY 37 H GLY 37 -1.221 5.122 -9.045 263 HA2 GLY 37 1HA GLY 37 -0.495 7.396 -10.504 264 HA3 GLY 37 2HA GLY 37 -1.826 6.325 -10.907 265 H ALA 38 H ALA 38 -3.416 6.764 -8.623 266 HA ALA 38 HA ALA 38 -4.315 9.512 -9.164 267 HB1 ALA 38 3HB ALA 38 -5.730 6.979 -8.587 268 HB2 ALA 38 1HB ALA 38 -6.165 8.304 -9.665 269 HB3 ALA 38 2HB ALA 38 -6.434 8.456 -7.930 270 H HIS 39 H HIS 39 -4.226 7.183 -6.469 271 HA HIS 39 HA HIS 39 -3.711 7.402 -4.281 272 HB2 HIS 39 1HB HIS 39 -2.127 9.318 -5.459 273 HB3 HIS 39 2HB HIS 39 -2.999 10.236 -4.243 274 HD1 HIS 39 HD1 HIS 39 -2.973 7.425 -2.414 275 HD2 HIS 39 HD2 HIS 39 0.188 9.723 -3.827 276 HE1 HIS 39 HE1 HIS 39 -1.036 6.908 -0.898 277 HE2 HIS 39 HE2 HIS 39 0.833 8.392 -1.706 278 HA PRO 40 HA PRO 40 -7.882 9.707 -4.065 279 HB2 PRO 40 1HB PRO 40 -8.541 7.059 -2.902 280 HB3 PRO 40 2HB PRO 40 -9.502 8.079 -3.977 281 HG2 PRO 40 1HG PRO 40 -8.300 5.884 -4.894 282 HG3 PRO 40 2HG PRO 40 -8.385 7.359 -5.874 283 HD2 PRO 40 1HD PRO 40 -6.079 6.219 -4.361 284 HD3 PRO 40 2HD PRO 40 -6.100 7.083 -5.910 285 H ALA 41 H ALA 41 -5.672 7.965 -2.038 286 HA ALA 41 HA ALA 41 -6.818 8.326 0.481 287 HB1 ALA 41 3HB ALA 41 -4.647 7.946 1.382 288 HB2 ALA 41 1HB ALA 41 -3.867 8.471 -0.109 289 HB3 ALA 41 2HB ALA 41 -4.776 6.960 -0.074 290 H LEU 42 H LEU 42 -4.846 10.481 -1.504 291 HA LEU 42 HA LEU 42 -5.676 12.697 0.226 292 HB2 LEU 42 1HB LEU 42 -3.367 13.699 -0.234 293 HB3 LEU 42 2HB LEU 42 -3.506 12.445 0.980 294 HG LEU 42 HG LEU 42 -2.753 11.683 -1.815 295 HD11 LEU 42 1HD1 LEU 42 -0.331 11.922 -0.773 296 HD12 LEU 42 2HD1 LEU 42 -1.112 13.237 0.107 297 HD13 LEU 42 3HD1 LEU 42 -1.103 13.237 -1.658 298 HD21 LEU 42 3HD2 LEU 42 -3.143 10.271 0.502 299 HD22 LEU 42 1HD2 LEU 42 -1.392 10.493 0.480 300 HD23 LEU 42 2HD2 LEU 42 -2.203 9.724 -0.884 301 H GLU 43 H GLU 43 -6.204 11.515 -2.660 302 HA GLU 43 HA GLU 43 -6.029 14.136 -3.998 303 HB2 GLU 43 1HB GLU 43 -5.451 11.400 -5.083 304 HB3 GLU 43 2HB GLU 43 -5.967 12.695 -6.153 305 HG2 GLU 43 1HG GLU 43 -3.757 13.336 -4.313 306 HG3 GLU 43 2HG GLU 43 -3.403 12.163 -5.579 307 H SER 44 H SER 44 -7.945 14.973 -4.365 308 HA SER 44 HA SER 44 -10.303 13.250 -4.452 309 HB2 SER 44 1HB SER 44 -9.935 16.223 -4.096 310 HB3 SER 44 2HB SER 44 -11.519 15.502 -4.369 311 HG SER 44 HG SER 44 -9.911 15.450 -2.129 312 H ARG 45 H ARG 45 -8.190 14.129 -6.716 313 HA ARG 45 HA ARG 45 -8.254 14.175 -8.989 314 HB2 ARG 45 1HB ARG 45 -10.284 12.603 -8.544 315 HB3 ARG 45 2HB ARG 45 -11.255 14.004 -8.971 316 HG2 ARG 45 1HG ARG 45 -9.937 14.096 -11.129 317 HG3 ARG 45 2HG ARG 45 -9.300 12.509 -10.693 318 HD2 ARG 45 1HD ARG 45 -11.865 11.960 -10.365 319 HD3 ARG 45 2HD ARG 45 -12.059 13.305 -11.485 320 HE ARG 45 HE ARG 45 -11.374 11.929 -13.161 321 HH11 ARG 45 1HH1 ARG 45 -10.216 10.590 -10.140 322 HH12 ARG 45 2HH1 ARG 45 -9.598 9.149 -10.870 323 HH21 ARG 45 1HH2 ARG 45 -10.558 10.020 -14.121 324 HH22 ARG 45 2HH2 ARG 45 -9.793 8.825 -13.130 325 H VAL 46 H VAL 46 -8.448 16.577 -7.343 326 HA VAL 46 HA VAL 46 -8.950 18.471 -9.393 327 HB VAL 46 HB VAL 46 -11.269 18.104 -8.824 328 HG11 VAL 46 1HG1 VAL 46 -10.429 17.623 -6.277 329 HG12 VAL 46 2HG1 VAL 46 -12.108 17.858 -6.763 330 HG13 VAL 46 3HG1 VAL 46 -11.180 19.212 -6.120 331 HG21 VAL 46 3HG2 VAL 46 -10.863 20.708 -7.491 332 HG22 VAL 46 1HG2 VAL 46 -11.851 20.290 -8.892 333 HG23 VAL 46 2HG2 VAL 46 -10.111 20.511 -9.076 334 H PHE 47 H PHE 47 -6.821 19.030 -8.847 335 HA PHE 47 HA PHE 47 -6.612 21.002 -6.751 336 HB2 PHE 47 1HB PHE 47 -5.493 18.304 -6.415 337 HB3 PHE 47 2HB PHE 47 -4.333 19.600 -6.144 338 HD1 PHE 47 HD2 PHE 47 -4.926 21.409 -4.473 339 HD2 PHE 47 HD1 PHE 47 -7.075 17.749 -4.790 340 HE1 PHE 47 HE2 PHE 47 -5.833 21.751 -2.212 341 HE2 PHE 47 HE1 PHE 47 -7.987 18.085 -2.530 342 HZ PHE 47 HZ PHE 47 -7.366 20.087 -1.237 343 H GLY 48 H GLY 48 -5.903 22.603 -8.037 344 HA2 GLY 48 1HA GLY 48 -4.374 23.847 -9.234 345 HA3 GLY 48 2HA GLY 48 -3.231 22.526 -9.046 346 H ASP 49 H ASP 49 -3.420 20.702 -10.506 347 HA ASP 49 HA ASP 49 -5.074 20.750 -12.799 348 HB2 ASP 49 1HB ASP 49 -3.012 22.558 -13.029 349 HB3 ASP 49 2HB ASP 49 -2.332 21.122 -13.791 350 H ASP 50 H ASP 50 -1.687 19.892 -12.081 351 HA ASP 50 HA ASP 50 -1.985 17.282 -13.243 352 HB2 ASP 50 1HB ASP 50 0.144 18.722 -13.178 353 HB3 ASP 50 2HB ASP 50 0.319 18.170 -11.517 354 H GLY 51 H GLY 51 -2.166 18.626 -10.011 355 HA2 GLY 51 1HA GLY 51 -3.359 17.488 -8.282 356 HA3 GLY 51 2HA GLY 51 -2.901 15.957 -9.014 357 H GLU 52 H GLU 52 -0.372 15.724 -9.134 358 HA GLU 52 HA GLU 52 0.986 16.859 -6.834 359 HB2 GLU 52 1HB GLU 52 1.657 14.579 -6.004 360 HB3 GLU 52 2HB GLU 52 -0.030 14.996 -5.744 361 HG2 GLU 52 1HG GLU 52 -0.757 13.290 -6.976 362 HG3 GLU 52 2HG GLU 52 0.405 13.608 -8.263 363 H LEU 53 H LEU 53 3.283 16.440 -6.820 364 HA LEU 53 HA LEU 53 4.312 15.651 -9.469 365 HB2 LEU 53 1HB LEU 53 4.934 17.946 -7.705 366 HB3 LEU 53 2HB LEU 53 6.308 17.183 -8.481 367 HG LEU 53 HG LEU 53 4.052 17.792 -10.279 368 HD11 LEU 53 1HD1 LEU 53 5.157 20.223 -10.331 369 HD12 LEU 53 2HD1 LEU 53 5.330 19.872 -8.611 370 HD13 LEU 53 3HD1 LEU 53 3.735 19.835 -9.361 371 HD21 LEU 53 3HD2 LEU 53 5.687 17.977 -11.837 372 HD22 LEU 53 1HD2 LEU 53 6.578 17.008 -10.663 373 HD23 LEU 53 2HD2 LEU 53 6.814 18.754 -10.729 374 H TYR 54 H TYR 54 5.674 16.151 -6.196 375 HA TYR 54 HA TYR 54 6.508 13.376 -6.070 376 HB2 TYR 54 1HB TYR 54 8.407 15.638 -6.509 377 HB3 TYR 54 2HB TYR 54 8.899 14.347 -5.416 378 HD1 TYR 54 HD1 TYR 54 9.021 11.993 -6.288 379 HD2 TYR 54 HD2 TYR 54 8.444 15.336 -8.856 380 HE1 TYR 54 HE1 TYR 54 9.708 10.625 -8.212 381 HE2 TYR 54 HE2 TYR 54 9.129 13.978 -10.786 382 HH TYR 54 HH TYR 54 10.565 11.890 -11.159 383 H ASP 55 H ASP 55 6.549 12.637 -4.017 384 HA ASP 55 HA ASP 55 6.712 14.558 -1.807 385 HB2 ASP 55 1HB ASP 55 4.384 12.918 -2.550 386 HB3 ASP 55 2HB ASP 55 4.845 12.794 -0.856 387 H HIS 56 H HIS 56 7.026 13.461 0.321 388 HA HIS 56 HA HIS 56 8.701 11.068 -0.029 389 HB2 HIS 56 1HB HIS 56 8.875 13.425 1.802 390 HB3 HIS 56 2HB HIS 56 9.531 11.885 2.341 391 HD1 HIS 56 HD1 HIS 56 10.704 11.002 -0.449 392 HD2 HIS 56 HD2 HIS 56 11.262 14.706 1.353 393 HE1 HIS 56 HE1 HIS 56 12.821 11.921 -1.444 394 HE2 HIS 56 HE2 HIS 56 13.094 14.198 -0.402 395 H ILE 57 H ILE 57 8.076 9.221 0.854 396 HA ILE 57 HA ILE 57 6.440 9.182 3.257 397 HB ILE 57 HB ILE 57 4.862 7.504 2.222 398 HG12 ILE 57 1HG1 ILE 57 4.762 8.304 -0.424 399 HG13 ILE 57 2HG1 ILE 57 6.490 8.156 -0.124 400 HG21 ILE 57 1HG2 ILE 57 3.386 9.194 1.277 401 HG22 ILE 57 2HG2 ILE 57 4.741 10.315 1.144 402 HG23 ILE 57 3HG2 ILE 57 4.184 9.789 2.733 403 HD11 ILE 57 3HD1 ILE 57 5.362 5.874 1.002 404 HD12 ILE 57 1HD1 ILE 57 6.277 5.988 -0.502 405 HD13 ILE 57 2HD1 ILE 57 4.518 6.109 -0.528 406 H ASN 58 H ASN 58 7.340 7.743 4.574 407 HA ASN 58 HA ASN 58 9.243 5.827 3.598 408 HB2 ASN 58 1HB ASN 58 8.420 6.892 6.199 409 HB3 ASN 58 2HB ASN 58 8.821 5.179 6.243 410 HD21 ASN 58 2HD2 ASN 58 10.119 7.861 7.089 411 HD22 ASN 58 1HD2 ASN 58 11.757 7.671 6.575 412 H VAL 59 H VAL 59 9.132 3.543 3.831 413 HA VAL 59 HA VAL 59 6.455 2.427 4.271 414 HB VAL 59 HB VAL 59 6.719 2.719 1.852 415 HG11 VAL 59 1HG1 VAL 59 9.339 1.524 2.378 416 HG12 VAL 59 2HG1 VAL 59 8.814 2.587 1.075 417 HG13 VAL 59 3HG1 VAL 59 8.504 0.853 0.977 418 HG21 VAL 59 3HG2 VAL 59 6.800 -0.148 2.780 419 HG22 VAL 59 1HG2 VAL 59 6.291 0.377 1.177 420 HG23 VAL 59 2HG2 VAL 59 5.373 0.871 2.598 421 H LEU 60 H LEU 60 6.380 0.312 5.020 422 HA LEU 60 HA LEU 60 8.939 -0.728 6.028 423 HB2 LEU 60 1HB LEU 60 6.700 -0.166 7.429 424 HB3 LEU 60 2HB LEU 60 6.385 -1.841 7.028 425 HG LEU 60 HG LEU 60 7.436 -1.605 9.232 426 HD11 LEU 60 1HD1 LEU 60 9.578 -2.856 7.610 427 HD12 LEU 60 2HD1 LEU 60 7.943 -3.494 7.436 428 HD13 LEU 60 3HD1 LEU 60 8.716 -3.468 9.021 429 HD21 LEU 60 3HD2 LEU 60 10.056 -0.879 8.075 430 HD22 LEU 60 1HD2 LEU 60 9.353 -0.480 9.642 431 HD23 LEU 60 2HD2 LEU 60 8.864 0.416 8.205 432 H ARG 61 H ARG 61 9.749 -2.521 5.161 433 HA ARG 61 HA ARG 61 7.920 -4.401 3.825 434 HB2 ARG 61 1HB ARG 61 9.574 -4.771 2.069 435 HB3 ARG 61 2HB ARG 61 9.089 -3.083 2.119 436 HG2 ARG 61 1HG ARG 61 11.145 -2.367 2.743 437 HG3 ARG 61 2HG ARG 61 11.491 -3.822 3.680 438 HD2 ARG 61 1HD ARG 61 12.666 -4.653 1.990 439 HD3 ARG 61 2HD ARG 61 11.255 -4.552 0.938 440 HE ARG 61 HE ARG 61 12.392 -2.007 1.105 441 HH11 ARG 61 1HH1 ARG 61 13.188 -5.172 -0.166 442 HH12 ARG 61 2HH1 ARG 61 14.200 -4.547 -1.424 443 HH21 ARG 61 1HH2 ARG 61 13.726 -1.189 -0.556 444 HH22 ARG 61 2HH2 ARG 61 14.506 -2.286 -1.646 445 H ASN 62 H ASN 62 8.426 -6.579 3.968 446 HA ASN 62 HA ASN 62 9.740 -7.439 6.295 447 HB2 ASN 62 1HB ASN 62 8.030 -8.595 4.485 448 HB3 ASN 62 2HB ASN 62 9.533 -9.457 4.168 449 HD21 ASN 62 2HD2 ASN 62 7.898 -11.152 4.984 450 HD22 ASN 62 1HD2 ASN 62 7.976 -11.499 6.675 451 H GLY 63 H GLY 63 10.957 -6.834 3.093 452 HA2 GLY 63 1HA GLY 63 13.345 -6.444 2.870 453 HA3 GLY 63 2HA GLY 63 13.611 -7.784 3.974 454 H GLU 64 H GLU 64 11.196 -8.101 1.498 455 HA GLU 64 HA GLU 64 12.973 -9.933 0.032 456 HB2 GLU 64 1HB GLU 64 10.690 -10.611 1.309 457 HB3 GLU 64 2HB GLU 64 10.038 -10.195 -0.269 458 HG2 GLU 64 1HG GLU 64 10.465 -12.335 -0.744 459 HG3 GLU 64 2HG GLU 64 12.111 -11.763 -0.995 460 H ALA 65 H ALA 65 12.339 -10.222 -2.305 461 HA ALA 65 HA ALA 65 12.494 -7.799 -3.683 462 HB1 ALA 65 3HB ALA 65 12.697 -9.054 -5.556 463 HB2 ALA 65 1HB ALA 65 11.329 -10.088 -5.145 464 HB3 ALA 65 2HB ALA 65 12.897 -10.355 -4.383 465 H ALA 66 H ALA 66 10.995 -6.263 -3.834 466 HA ALA 66 HA ALA 66 8.215 -6.779 -3.381 467 HB1 ALA 66 3HB ALA 66 9.011 -4.189 -4.559 468 HB2 ALA 66 1HB ALA 66 9.738 -4.602 -3.007 469 HB3 ALA 66 2HB ALA 66 7.984 -4.539 -3.170 470 H ALA 67 H ALA 67 6.972 -7.721 -4.855 471 HA ALA 67 HA ALA 67 7.497 -7.278 -7.708 472 HB1 ALA 67 3HB ALA 67 7.341 -9.604 -6.840 473 HB2 ALA 67 1HB ALA 67 6.183 -9.247 -8.119 474 HB3 ALA 67 2HB ALA 67 5.652 -9.298 -6.437 475 H LEU 68 H LEU 68 5.180 -7.619 -8.943 476 HA LEU 68 HA LEU 68 3.174 -5.887 -7.721 477 HB2 LEU 68 1HB LEU 68 3.165 -4.252 -9.315 478 HB3 LEU 68 2HB LEU 68 4.866 -4.625 -9.241 479 HG LEU 68 HG LEU 68 4.291 -6.239 -11.246 480 HD11 LEU 68 1HD1 LEU 68 1.786 -5.241 -10.836 481 HD12 LEU 68 2HD1 LEU 68 2.367 -5.928 -12.352 482 HD13 LEU 68 3HD1 LEU 68 2.392 -4.182 -12.109 483 HD21 LEU 68 3HD2 LEU 68 4.550 -3.243 -11.461 484 HD22 LEU 68 1HD2 LEU 68 4.790 -4.374 -12.794 485 HD23 LEU 68 2HD2 LEU 68 5.861 -4.421 -11.394 486 H GLY 69 H GLY 69 3.998 -8.010 -10.464 487 HA2 GLY 69 1HA GLY 69 1.159 -8.483 -10.972 488 HA3 GLY 69 2HA GLY 69 2.498 -9.060 -11.948 489 H GLU 70 H GLU 70 2.194 -9.435 -8.447 490 HA GLU 70 HA GLU 70 1.175 -12.084 -8.532 491 HB2 GLU 70 1HB GLU 70 3.811 -12.004 -9.228 492 HB3 GLU 70 2HB GLU 70 3.928 -12.223 -7.488 493 HG2 GLU 70 1HG GLU 70 2.710 -14.248 -7.569 494 HG3 GLU 70 2HG GLU 70 2.234 -13.974 -9.245 495 H ALA 71 H ALA 71 -0.185 -11.310 -6.918 496 HA ALA 71 HA ALA 71 0.919 -10.215 -4.479 497 HB1 ALA 71 3HB ALA 71 -1.875 -10.793 -5.407 498 HB2 ALA 71 1HB ALA 71 -1.117 -9.232 -5.092 499 HB3 ALA 71 2HB ALA 71 -1.525 -10.301 -3.750 500 H THR 72 H THR 72 0.717 -13.303 -5.630 501 HA THR 72 HA THR 72 -0.155 -14.596 -3.198 502 HB THR 72 HB THR 72 -0.689 -15.562 -5.400 503 HG1 THR 72 HG1 THR 72 1.038 -17.180 -3.835 504 HG21 THR 72 3HG2 THR 72 2.107 -15.219 -5.906 505 HG22 THR 72 1HG2 THR 72 0.814 -15.676 -7.012 506 HG23 THR 72 2HG2 THR 72 1.660 -16.914 -6.087 507 H ALA 73 H ALA 73 2.844 -13.626 -4.684 508 HA ALA 73 HA ALA 73 4.299 -14.926 -2.485 509 HB1 ALA 73 3HB ALA 73 6.245 -15.097 -3.957 510 HB2 ALA 73 1HB ALA 73 5.306 -14.403 -5.278 511 HB3 ALA 73 2HB ALA 73 4.860 -15.973 -4.611 512 H ALA 74 H ALA 74 5.728 -13.731 -1.338 513 HA ALA 74 HA ALA 74 6.786 -11.943 -0.454 514 HB1 ALA 74 3HB ALA 74 8.183 -11.432 -2.137 515 HB2 ALA 74 1HB ALA 74 7.161 -10.002 -2.276 516 HB3 ALA 74 2HB ALA 74 6.896 -11.382 -3.341 517 H GLY 75 H GLY 75 4.758 -10.202 -2.834 518 HA2 GLY 75 1HA GLY 75 2.603 -9.272 -2.135 519 HA3 GLY 75 2HA GLY 75 3.314 -9.008 -0.551 520 H ASP 76 H ASP 76 2.793 -6.803 -0.594 521 HA ASP 76 HA ASP 76 4.329 -5.201 -2.524 522 HB2 ASP 76 1HB ASP 76 2.731 -3.346 -2.010 523 HB3 ASP 76 2HB ASP 76 1.992 -4.732 -2.792 524 H GLU 77 H GLU 77 3.244 -5.219 0.865 525 HA GLU 77 HA GLU 77 5.774 -4.662 1.929 526 HB2 GLU 77 1HB GLU 77 5.335 -2.316 2.752 527 HB3 GLU 77 2HB GLU 77 5.638 -2.452 1.029 528 HG2 GLU 77 1HG GLU 77 2.823 -2.653 1.557 529 HG3 GLU 77 2HG GLU 77 3.485 -1.203 2.309 530 H LEU 78 H LEU 78 5.252 -3.420 4.283 531 HA LEU 78 HA LEU 78 3.205 -5.147 5.511 532 HB2 LEU 78 1HB LEU 78 5.760 -3.960 6.565 533 HB3 LEU 78 2HB LEU 78 4.517 -4.559 7.646 534 HG LEU 78 HG LEU 78 5.896 -6.232 5.543 535 HD11 LEU 78 1HD1 LEU 78 6.358 -6.729 8.413 536 HD12 LEU 78 2HD1 LEU 78 7.124 -5.290 7.739 537 HD13 LEU 78 3HD1 LEU 78 7.455 -6.875 7.041 538 HD21 LEU 78 3HD2 LEU 78 4.052 -6.975 7.811 539 HD22 LEU 78 1HD2 LEU 78 4.889 -8.112 6.757 540 HD23 LEU 78 2HD2 LEU 78 3.665 -7.031 6.090 541 H ALA 79 H ALA 79 4.455 -1.856 5.321 542 HA ALA 79 HA ALA 79 1.910 -0.717 5.925 543 HB1 ALA 79 3HB ALA 79 2.500 0.466 7.960 544 HB2 ALA 79 1HB ALA 79 4.102 -0.270 7.957 545 HB3 ALA 79 2HB ALA 79 2.672 -1.272 8.211 546 H LEU 80 H LEU 80 2.146 1.775 6.082 547 HA LEU 80 HA LEU 80 4.516 2.797 4.722 548 HB2 LEU 80 1HB LEU 80 2.484 2.075 3.139 549 HB3 LEU 80 2HB LEU 80 1.910 3.670 3.584 550 HG LEU 80 HG LEU 80 4.626 3.959 2.829 551 HD11 LEU 80 1HD1 LEU 80 3.301 2.882 0.440 552 HD12 LEU 80 2HD1 LEU 80 3.778 1.678 1.637 553 HD13 LEU 80 3HD1 LEU 80 4.983 2.772 0.957 554 HD21 LEU 80 3HD2 LEU 80 3.308 5.788 2.440 555 HD22 LEU 80 1HD2 LEU 80 1.953 4.826 1.849 556 HD23 LEU 80 2HD2 LEU 80 3.358 5.097 0.819 557 H PHE 81 H PHE 81 5.085 4.144 6.342 558 HA PHE 81 HA PHE 81 3.074 6.088 7.267 559 HB2 PHE 81 1HB PHE 81 5.439 4.852 8.662 560 HB3 PHE 81 2HB PHE 81 4.717 6.350 9.237 561 HD1 PHE 81 HD2 PHE 81 3.580 2.953 8.155 562 HD2 PHE 81 HD1 PHE 81 3.190 6.156 10.932 563 HE1 PHE 81 HE2 PHE 81 1.897 1.663 9.402 564 HE2 PHE 81 HE1 PHE 81 1.508 4.869 12.183 565 HZ PHE 81 HZ PHE 81 0.858 2.621 11.419 566 HA PRO 82 HA PRO 82 5.341 9.275 5.154 567 HB2 PRO 82 1HB PRO 82 4.321 10.998 7.351 568 HB3 PRO 82 2HB PRO 82 4.150 11.185 5.602 569 HG2 PRO 82 1HG PRO 82 2.092 10.395 7.095 570 HG3 PRO 82 2HG PRO 82 2.369 9.706 5.485 571 HD2 PRO 82 1HD PRO 82 2.933 8.530 8.175 572 HD3 PRO 82 2HD PRO 82 2.318 7.746 6.705 573 HA PRO 83 HA PRO 83 9.112 10.050 7.342 574 HB2 PRO 83 1HB PRO 83 9.703 12.642 6.752 575 HB3 PRO 83 2HB PRO 83 9.856 11.326 5.585 576 HG2 PRO 83 1HG PRO 83 7.650 13.321 5.913 577 HG3 PRO 83 2HG PRO 83 8.406 12.725 4.425 578 HD2 PRO 83 1HD PRO 83 6.019 11.813 5.308 579 HD3 PRO 83 2HD PRO 83 7.163 10.784 4.425 580 H VAL 84 H VAL 84 7.733 9.858 9.367 581 HA VAL 84 HA VAL 84 7.377 12.378 10.803 582 HB VAL 84 HB VAL 84 5.533 10.756 10.850 583 HG11 VAL 84 1HG1 VAL 84 7.647 8.904 11.447 584 HG12 VAL 84 2HG1 VAL 84 5.974 8.586 10.996 585 HG13 VAL 84 3HG1 VAL 84 6.398 8.830 12.690 586 HG21 VAL 84 3HG2 VAL 84 6.473 10.701 13.656 587 HG22 VAL 84 1HG2 VAL 84 4.941 11.257 12.980 588 HG23 VAL 84 2HG2 VAL 84 6.374 12.280 12.878 589 H SER 85 H SER 85 8.416 12.887 12.709 590 HA SER 85 HA SER 85 10.844 11.328 13.272 591 HB2 SER 85 1HB SER 85 10.154 14.227 13.784 592 HB3 SER 85 2HB SER 85 11.596 13.450 14.435 593 HG SER 85 HG SER 85 11.924 14.559 12.411 594 H GLY 86 H GLY 86 11.485 10.953 15.460 595 HA2 GLY 86 1HA GLY 86 9.275 10.301 17.181 596 HA3 GLY 86 2HA GLY 86 10.976 10.019 17.515 597 H GLY 87 H GLY 87 10.233 10.693 19.713 598 HA2 GLY 87 1HA GLY 87 10.193 13.640 19.948 599 HA3 GLY 87 2HA GLY 87 9.390 12.563 21.077 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.602 -8.435 1.897 2 H2 MET 1 2H MET 1 -3.217 -9.007 1.843 3 H3 MET 1 3H MET 1 -1.923 -10.050 1.425 4 HA MET 1 HA MET 1 -2.831 -10.493 3.608 5 HB2 MET 1 1HB MET 1 -0.066 -9.936 2.882 6 HB3 MET 1 2HB MET 1 -0.324 -9.770 4.612 7 HG2 MET 1 1HG MET 1 -1.479 -12.170 3.359 8 HG3 MET 1 2HG MET 1 0.280 -12.083 3.408 9 HE1 MET 1 3HE MET 1 -0.636 -14.508 6.342 10 HE2 MET 1 1HE MET 1 -0.167 -14.379 4.647 11 HE3 MET 1 2HE MET 1 -1.865 -14.242 5.106 12 H GLU 2 H GLU 2 -0.738 -7.610 3.913 13 HA GLU 2 HA GLU 2 -2.806 -6.295 5.499 14 HB2 GLU 2 1HB GLU 2 -0.960 -5.647 7.173 15 HB3 GLU 2 2HB GLU 2 -1.645 -7.260 7.285 16 HG2 GLU 2 1HG GLU 2 0.266 -8.227 6.246 17 HG3 GLU 2 2HG GLU 2 0.912 -6.641 5.832 18 H TRP 3 H TRP 3 -2.349 -4.004 5.880 19 HA TRP 3 HA TRP 3 -0.287 -2.738 4.309 20 HB2 TRP 3 1HB TRP 3 -1.974 -3.095 2.586 21 HB3 TRP 3 2HB TRP 3 -3.218 -2.397 3.615 22 HD1 TRP 3 HD TRP 3 -2.624 0.339 4.295 23 HE1 TRP 3 HE1 TRP 3 -1.846 2.181 2.683 24 HE3 TRP 3 HE3 TRP 3 -0.846 -2.597 0.504 25 HZ2 TRP 3 HZ2 TRP 3 -0.646 2.370 0.135 26 HZ3 TRP 3 HZ3 TRP 3 0.098 -1.504 -1.487 27 HH2 TRP 3 HH TRP 3 0.193 0.929 -1.665 28 H LYS 4 H LYS 4 0.109 -0.624 4.967 29 HA LYS 4 HA LYS 4 -1.670 0.536 6.990 30 HB2 LYS 4 1HB LYS 4 1.202 -0.212 7.334 31 HB3 LYS 4 2HB LYS 4 0.619 1.250 8.118 32 HG2 LYS 4 1HG LYS 4 -0.740 0.103 9.562 33 HG3 LYS 4 2HG LYS 4 -0.922 -1.272 8.471 34 HD2 LYS 4 1HD LYS 4 0.536 -2.279 9.853 35 HD3 LYS 4 2HD LYS 4 1.749 -1.344 8.976 36 HE2 LYS 4 1HE LYS 4 1.286 0.494 10.714 37 HE3 LYS 4 2HE LYS 4 0.505 -0.781 11.648 38 HZ1 LYS 4 3HZ LYS 4 3.272 -1.055 10.632 39 HZ2 LYS 4 1HZ LYS 4 2.508 -1.950 11.850 40 HZ3 LYS 4 2HZ LYS 4 2.933 -0.336 12.126 41 H LEU 5 H LEU 5 -1.777 2.776 6.940 42 HA LEU 5 HA LEU 5 0.014 4.133 5.035 43 HB2 LEU 5 1HB LEU 5 -2.362 3.516 4.183 44 HB3 LEU 5 2HB LEU 5 -2.888 4.855 5.185 45 HG LEU 5 HG LEU 5 -1.301 6.325 3.903 46 HD11 LEU 5 1HD1 LEU 5 -0.131 5.601 2.080 47 HD12 LEU 5 2HD1 LEU 5 -1.240 4.269 1.755 48 HD13 LEU 5 3HD1 LEU 5 -0.072 4.143 3.070 49 HD21 LEU 5 3HD2 LEU 5 -2.750 6.243 1.789 50 HD22 LEU 5 1HD2 LEU 5 -3.551 6.545 3.332 51 HD23 LEU 5 2HD2 LEU 5 -3.619 4.941 2.601 52 H PHE 6 H PHE 6 0.144 6.454 5.283 53 HA PHE 6 HA PHE 6 0.004 7.222 8.091 54 HB2 PHE 6 1HB PHE 6 1.963 7.604 6.274 55 HB3 PHE 6 2HB PHE 6 1.085 9.117 6.072 56 HD1 PHE 6 HD2 PHE 6 2.286 6.950 8.874 57 HD2 PHE 6 HD1 PHE 6 1.829 10.892 7.325 58 HE1 PHE 6 HE2 PHE 6 3.418 7.860 10.859 59 HE2 PHE 6 HE1 PHE 6 2.961 11.805 9.310 60 HZ PHE 6 HZ PHE 6 3.757 10.289 11.080 61 H ALA 7 H ALA 7 -0.455 9.759 8.322 62 HA ALA 7 HA ALA 7 -3.214 10.092 7.667 63 HB1 ALA 7 3HB ALA 7 -1.198 11.632 9.204 64 HB2 ALA 7 1HB ALA 7 -2.808 11.084 9.670 65 HB3 ALA 7 2HB ALA 7 -2.624 12.493 8.627 66 H ASP 8 H ASP 8 -0.405 10.746 5.876 67 HA ASP 8 HA ASP 8 -0.979 13.171 4.627 68 HB2 ASP 8 1HB ASP 8 1.120 11.646 4.420 69 HB3 ASP 8 2HB ASP 8 0.235 10.877 3.104 70 H LEU 9 H LEU 9 -2.116 9.918 3.919 71 HA LEU 9 HA LEU 9 -3.927 11.024 1.871 72 HB2 LEU 9 1HB LEU 9 -3.379 8.104 2.149 73 HB3 LEU 9 2HB LEU 9 -3.894 9.006 0.742 74 HG LEU 9 HG LEU 9 -1.721 8.404 0.208 75 HD11 LEU 9 1HD1 LEU 9 -0.859 10.387 -0.299 76 HD12 LEU 9 2HD1 LEU 9 -0.688 10.849 1.393 77 HD13 LEU 9 3HD1 LEU 9 -2.231 11.073 0.570 78 HD21 LEU 9 3HD2 LEU 9 -0.450 7.527 1.796 79 HD22 LEU 9 1HD2 LEU 9 -1.350 8.357 3.064 80 HD23 LEU 9 2HD2 LEU 9 -0.004 9.167 2.264 81 H ALA 10 H ALA 10 -3.756 8.858 4.682 82 HA ALA 10 HA ALA 10 -6.435 8.013 4.672 83 HB1 ALA 10 3HB ALA 10 -4.250 7.435 6.163 84 HB2 ALA 10 1HB ALA 10 -5.891 6.906 6.538 85 HB3 ALA 10 2HB ALA 10 -5.226 8.343 7.317 86 H GLU 11 H GLU 11 -5.186 11.127 5.341 87 HA GLU 11 HA GLU 11 -7.158 11.946 7.237 88 HB2 GLU 11 1HB GLU 11 -5.049 13.295 5.636 89 HB3 GLU 11 2HB GLU 11 -6.373 14.289 6.226 90 HG2 GLU 11 1HG GLU 11 -5.903 13.587 8.508 91 HG3 GLU 11 2HG GLU 11 -4.597 12.557 7.927 92 H VAL 12 H VAL 12 -7.052 11.751 3.744 93 HA VAL 12 HA VAL 12 -9.389 13.453 3.451 94 HB VAL 12 HB VAL 12 -8.015 11.898 1.280 95 HG11 VAL 12 1HG1 VAL 12 -9.352 14.478 0.772 96 HG12 VAL 12 2HG1 VAL 12 -10.406 13.126 1.183 97 HG13 VAL 12 3HG1 VAL 12 -9.317 13.007 -0.199 98 HG21 VAL 12 3HG2 VAL 12 -6.813 13.995 0.771 99 HG22 VAL 12 1HG2 VAL 12 -6.363 13.318 2.335 100 HG23 VAL 12 2HG2 VAL 12 -7.458 14.697 2.254 101 H ALA 13 H ALA 13 -8.549 10.020 3.081 102 HA ALA 13 HA ALA 13 -11.305 9.380 2.397 103 HB1 ALA 13 3HB ALA 13 -10.559 7.190 1.902 104 HB2 ALA 13 1HB ALA 13 -9.050 7.430 2.782 105 HB3 ALA 13 2HB ALA 13 -9.336 8.294 1.274 106 H GLY 14 H GLY 14 -9.006 8.724 5.035 107 HA2 GLY 14 1HA GLY 14 -9.879 8.757 7.312 108 HA3 GLY 14 2HA GLY 14 -11.326 7.972 6.703 109 H SER 15 H SER 15 -9.439 6.237 4.980 110 HA SER 15 HA SER 15 -8.760 4.338 7.131 111 HB2 SER 15 1HB SER 15 -9.879 3.977 4.384 112 HB3 SER 15 2HB SER 15 -8.844 2.709 5.036 113 HG SER 15 HG SER 15 -11.138 2.476 5.482 114 H ARG 16 H ARG 16 -6.702 3.700 7.347 115 HA ARG 16 HA ARG 16 -4.794 4.489 5.268 116 HB2 ARG 16 1HB ARG 16 -3.158 4.289 7.291 117 HB3 ARG 16 2HB ARG 16 -4.122 5.738 7.092 118 HG2 ARG 16 1HG ARG 16 -5.078 3.490 8.817 119 HG3 ARG 16 2HG ARG 16 -3.906 4.658 9.424 120 HD2 ARG 16 1HD ARG 16 -5.458 6.251 9.663 121 HD3 ARG 16 2HD ARG 16 -6.181 5.905 8.092 122 HE ARG 16 HE ARG 16 -7.004 3.833 9.629 123 HH11 ARG 16 1HH1 ARG 16 -7.175 7.312 10.016 124 HH12 ARG 16 2HH1 ARG 16 -8.639 7.258 10.937 125 HH21 ARG 16 1HH2 ARG 16 -8.933 3.771 10.834 126 HH22 ARG 16 2HH2 ARG 16 -9.637 5.247 11.402 127 H THR 17 H THR 17 -5.421 2.019 7.770 128 HA THR 17 HA THR 17 -3.594 0.197 6.426 129 HB THR 17 HB THR 17 -3.613 -1.116 8.365 130 HG1 THR 17 HG1 THR 17 -5.582 -1.505 9.027 131 HG21 THR 17 3HG2 THR 17 -4.190 1.312 9.905 132 HG22 THR 17 1HG2 THR 17 -2.951 1.472 8.660 133 HG23 THR 17 2HG2 THR 17 -2.779 0.255 9.924 134 H VAL 18 H VAL 18 -4.174 -1.818 5.610 135 HA VAL 18 HA VAL 18 -7.010 -2.501 5.464 136 HB VAL 18 HB VAL 18 -5.373 -2.429 2.933 137 HG11 VAL 18 1HG1 VAL 18 -7.246 -3.943 2.876 138 HG12 VAL 18 2HG1 VAL 18 -7.607 -2.539 1.873 139 HG13 VAL 18 3HG1 VAL 18 -8.329 -2.686 3.476 140 HG21 VAL 18 3HG2 VAL 18 -5.528 -0.139 3.652 141 HG22 VAL 18 1HG2 VAL 18 -7.253 -0.316 3.982 142 HG23 VAL 18 2HG2 VAL 18 -6.660 -0.394 2.323 143 H ARG 19 H ARG 19 -7.188 -4.580 5.996 144 HA ARG 19 HA ARG 19 -4.915 -6.373 5.489 145 HB2 ARG 19 1HB ARG 19 -7.158 -6.418 7.488 146 HB3 ARG 19 2HB ARG 19 -6.309 -7.903 7.076 147 HG2 ARG 19 1HG ARG 19 -4.306 -6.019 7.584 148 HG3 ARG 19 2HG ARG 19 -5.520 -5.778 8.840 149 HD2 ARG 19 1HD ARG 19 -4.934 -8.589 8.306 150 HD3 ARG 19 2HD ARG 19 -3.535 -7.676 8.864 151 HE ARG 19 HE ARG 19 -5.891 -7.234 10.448 152 HH11 ARG 19 1HH1 ARG 19 -3.131 -9.341 9.974 153 HH12 ARG 19 2HH1 ARG 19 -3.125 -9.903 11.612 154 HH21 ARG 19 1HH2 ARG 19 -5.881 -7.986 12.604 155 HH22 ARG 19 2HH2 ARG 19 -4.686 -9.135 13.104 156 H VAL 20 H VAL 20 -5.115 -8.189 4.257 157 HA VAL 20 HA VAL 20 -7.743 -8.686 3.007 158 HB VAL 20 HB VAL 20 -5.095 -9.045 1.605 159 HG11 VAL 20 1HG1 VAL 20 -6.245 -9.772 -0.192 160 HG12 VAL 20 2HG1 VAL 20 -7.610 -8.696 0.109 161 HG13 VAL 20 3HG1 VAL 20 -7.453 -10.199 1.018 162 HG21 VAL 20 3HG2 VAL 20 -5.066 -6.779 1.622 163 HG22 VAL 20 1HG2 VAL 20 -6.803 -6.649 1.898 164 HG23 VAL 20 2HG2 VAL 20 -6.190 -6.991 0.280 165 H ASP 21 H ASP 21 -8.492 -10.655 3.328 166 HA ASP 21 HA ASP 21 -6.675 -12.770 4.210 167 HB2 ASP 21 1HB ASP 21 -8.947 -13.912 4.734 168 HB3 ASP 21 2HB ASP 21 -8.387 -12.615 5.778 169 H VAL 22 H VAL 22 -8.952 -11.943 1.672 170 HA VAL 22 HA VAL 22 -8.758 -14.588 0.471 171 HB VAL 22 HB VAL 22 -10.944 -13.462 0.503 172 HG11 VAL 22 1HG1 VAL 22 -10.335 -11.162 0.346 173 HG12 VAL 22 2HG1 VAL 22 -11.310 -11.550 -1.072 174 HG13 VAL 22 3HG1 VAL 22 -9.558 -11.414 -1.217 175 HG21 VAL 22 3HG2 VAL 22 -10.351 -15.097 -1.274 176 HG22 VAL 22 1HG2 VAL 22 -9.904 -13.745 -2.315 177 HG23 VAL 22 2HG2 VAL 22 -11.571 -13.925 -1.770 178 H ASP 23 H ASP 23 -7.983 -14.950 -1.662 179 HA ASP 23 HA ASP 23 -6.104 -12.888 -2.612 180 HB2 ASP 23 1HB ASP 23 -5.867 -15.895 -2.633 181 HB3 ASP 23 2HB ASP 23 -4.846 -14.857 -3.621 182 H GLY 24 H GLY 24 -6.570 -12.038 -4.527 183 HA2 GLY 24 1HA GLY 24 -8.087 -13.686 -6.456 184 HA3 GLY 24 2HA GLY 24 -8.470 -11.992 -6.186 185 H ASP 25 H ASP 25 -5.320 -13.613 -6.528 186 HA ASP 25 HA ASP 25 -3.538 -13.216 -7.879 187 HB2 ASP 25 1HB ASP 25 -5.272 -14.120 -9.509 188 HB3 ASP 25 2HB ASP 25 -5.546 -12.454 -10.000 189 H ALA 26 H ALA 26 -4.452 -11.010 -6.259 190 HA ALA 26 HA ALA 26 -4.177 -8.624 -7.868 191 HB1 ALA 26 3HB ALA 26 -4.001 -8.423 -4.927 192 HB2 ALA 26 1HB ALA 26 -5.497 -9.099 -5.573 193 HB3 ALA 26 2HB ALA 26 -4.964 -7.494 -6.074 194 H THR 27 H THR 27 -2.320 -7.606 -8.312 195 HA THR 27 HA THR 27 0.164 -8.686 -7.350 196 HB THR 27 HB THR 27 0.601 -6.221 -8.711 197 HG1 THR 27 HG1 THR 27 -1.170 -7.906 -10.147 198 HG21 THR 27 3HG2 THR 27 0.765 -8.856 -10.086 199 HG22 THR 27 1HG2 THR 27 1.867 -8.474 -8.763 200 HG23 THR 27 2HG2 THR 27 1.829 -7.455 -10.201 201 H VAL 28 H VAL 28 1.919 -7.129 -6.599 202 HA VAL 28 HA VAL 28 0.992 -5.830 -4.215 203 HB VAL 28 HB VAL 28 3.782 -5.734 -5.371 204 HG11 VAL 28 1HG1 VAL 28 3.248 -4.109 -3.582 205 HG12 VAL 28 2HG1 VAL 28 4.485 -5.274 -3.113 206 HG13 VAL 28 3HG1 VAL 28 2.833 -5.457 -2.524 207 HG21 VAL 28 3HG2 VAL 28 2.485 -7.807 -3.610 208 HG22 VAL 28 1HG2 VAL 28 4.232 -7.630 -3.777 209 HG23 VAL 28 2HG2 VAL 28 3.250 -8.044 -5.181 210 H GLY 29 H GLY 29 2.107 -4.830 -7.396 211 HA2 GLY 29 1HA GLY 29 2.142 -2.038 -6.660 212 HA3 GLY 29 2HA GLY 29 2.472 -2.695 -8.253 213 H ASP 30 H ASP 30 -0.048 -4.290 -8.193 214 HA ASP 30 HA ASP 30 -1.734 -2.558 -9.566 215 HB2 ASP 30 1HB ASP 30 -1.935 -4.955 -9.810 216 HB3 ASP 30 2HB ASP 30 -2.360 -5.136 -8.111 217 H ALA 31 H ALA 31 -1.736 -3.485 -6.146 218 HA ALA 31 HA ALA 31 -4.039 -1.805 -5.567 219 HB1 ALA 31 3HB ALA 31 -2.472 -3.838 -4.091 220 HB2 ALA 31 1HB ALA 31 -4.218 -3.600 -4.191 221 HB3 ALA 31 2HB ALA 31 -3.247 -2.574 -3.136 222 H LEU 32 H LEU 32 -0.539 -1.729 -5.192 223 HA LEU 32 HA LEU 32 -0.344 0.372 -3.341 224 HB2 LEU 32 1HB LEU 32 1.482 -1.208 -4.277 225 HB3 LEU 32 2HB LEU 32 1.633 -0.029 -5.565 226 HG LEU 32 HG LEU 32 1.730 1.331 -3.042 227 HD11 LEU 32 1HD1 LEU 32 4.061 -0.478 -3.211 228 HD12 LEU 32 2HD1 LEU 32 2.566 -1.165 -2.580 229 HD13 LEU 32 3HD1 LEU 32 3.284 0.248 -1.805 230 HD21 LEU 32 3HD2 LEU 32 4.146 0.961 -4.722 231 HD22 LEU 32 1HD2 LEU 32 3.459 2.429 -4.027 232 HD23 LEU 32 2HD2 LEU 32 2.744 1.721 -5.475 233 H ASP 33 H ASP 33 0.122 0.530 -6.880 234 HA ASP 33 HA ASP 33 0.083 3.339 -7.026 235 HB2 ASP 33 1HB ASP 33 1.003 1.935 -8.812 236 HB3 ASP 33 2HB ASP 33 -0.607 1.329 -9.177 237 H ALA 34 H ALA 34 -2.480 0.943 -7.099 238 HA ALA 34 HA ALA 34 -4.542 2.641 -8.030 239 HB1 ALA 34 3HB ALA 34 -6.001 0.901 -6.761 240 HB2 ALA 34 1HB ALA 34 -4.479 0.034 -6.571 241 HB3 ALA 34 2HB ALA 34 -5.090 0.400 -8.185 242 H LEU 35 H LEU 35 -3.709 1.566 -4.720 243 HA LEU 35 HA LEU 35 -5.576 3.242 -3.428 244 HB2 LEU 35 1HB LEU 35 -3.220 1.645 -2.613 245 HB3 LEU 35 2HB LEU 35 -3.726 2.911 -1.513 246 HG LEU 35 HG LEU 35 -5.920 1.923 -1.291 247 HD11 LEU 35 1HD1 LEU 35 -6.430 -0.254 -2.366 248 HD12 LEU 35 2HD1 LEU 35 -4.962 -0.083 -3.330 249 HD13 LEU 35 3HD1 LEU 35 -6.279 1.077 -3.512 250 HD21 LEU 35 3HD2 LEU 35 -5.347 -0.017 -0.067 251 HD22 LEU 35 1HD2 LEU 35 -3.967 1.075 0.056 252 HD23 LEU 35 2HD2 LEU 35 -3.909 -0.299 -1.048 253 H VAL 36 H VAL 36 -2.535 3.954 -4.888 254 HA VAL 36 HA VAL 36 -2.162 6.392 -3.340 255 HB VAL 36 HB VAL 36 -0.523 5.208 -5.581 256 HG11 VAL 36 1HG1 VAL 36 1.152 6.908 -5.013 257 HG12 VAL 36 2HG1 VAL 36 0.019 7.633 -3.872 258 HG13 VAL 36 3HG1 VAL 36 -0.348 7.629 -5.599 259 HG21 VAL 36 3HG2 VAL 36 0.503 5.531 -2.818 260 HG22 VAL 36 1HG2 VAL 36 0.836 4.278 -4.014 261 HG23 VAL 36 2HG2 VAL 36 -0.674 4.250 -3.105 262 H GLY 37 H GLY 37 -2.730 5.482 -6.757 263 HA2 GLY 37 1HA GLY 37 -3.403 8.315 -7.288 264 HA3 GLY 37 2HA GLY 37 -2.854 7.171 -8.499 265 H ALA 38 H ALA 38 -4.619 5.034 -7.633 266 HA ALA 38 HA ALA 38 -6.974 5.866 -9.081 267 HB1 ALA 38 3HB ALA 38 -7.573 3.599 -9.184 268 HB2 ALA 38 1HB ALA 38 -6.594 3.186 -7.778 269 HB3 ALA 38 2HB ALA 38 -5.813 3.615 -9.302 270 H HIS 39 H HIS 39 -6.168 6.237 -5.891 271 HA HIS 39 HA HIS 39 -8.989 6.133 -5.083 272 HB2 HIS 39 1HB HIS 39 -6.580 5.041 -3.719 273 HB3 HIS 39 2HB HIS 39 -7.806 5.796 -2.708 274 HD1 HIS 39 HD1 HIS 39 -7.451 2.920 -2.192 275 HD2 HIS 39 HD2 HIS 39 -9.971 4.294 -5.197 276 HE1 HIS 39 HE1 HIS 39 -9.073 1.045 -2.620 277 HE2 HIS 39 HE2 HIS 39 -10.650 1.940 -4.371 278 HA PRO 40 HA PRO 40 -7.103 10.469 -4.785 279 HB2 PRO 40 1HB PRO 40 -9.906 10.961 -5.649 280 HB3 PRO 40 2HB PRO 40 -8.417 11.761 -6.169 281 HG2 PRO 40 1HG PRO 40 -9.606 10.009 -7.757 282 HG3 PRO 40 2HG PRO 40 -7.839 10.015 -7.603 283 HD2 PRO 40 1HD PRO 40 -9.844 8.155 -6.386 284 HD3 PRO 40 2HD PRO 40 -8.240 7.802 -7.062 285 H ALA 41 H ALA 41 -9.854 8.744 -3.527 286 HA ALA 41 HA ALA 41 -11.034 10.578 -1.836 287 HB1 ALA 41 3HB ALA 41 -11.824 8.705 -0.543 288 HB2 ALA 41 1HB ALA 41 -10.575 7.663 -1.223 289 HB3 ALA 41 2HB ALA 41 -11.861 8.286 -2.256 290 H LEU 42 H LEU 42 -7.904 9.034 -1.520 291 HA LEU 42 HA LEU 42 -7.632 9.937 1.246 292 HB2 LEU 42 1HB LEU 42 -5.502 8.534 -0.326 293 HB3 LEU 42 2HB LEU 42 -5.746 8.563 1.408 294 HG LEU 42 HG LEU 42 -8.012 7.336 0.106 295 HD11 LEU 42 1HD1 LEU 42 -5.400 5.923 -0.363 296 HD12 LEU 42 2HD1 LEU 42 -6.235 6.855 -1.606 297 HD13 LEU 42 3HD1 LEU 42 -7.010 5.439 -0.894 298 HD21 LEU 42 3HD2 LEU 42 -7.893 5.942 1.877 299 HD22 LEU 42 1HD2 LEU 42 -6.817 7.186 2.510 300 HD23 LEU 42 2HD2 LEU 42 -6.146 5.745 1.747 301 H GLU 43 H GLU 43 -6.688 10.804 -1.976 302 HA GLU 43 HA GLU 43 -5.387 13.185 -0.947 303 HB2 GLU 43 1HB GLU 43 -3.408 12.869 -2.461 304 HB3 GLU 43 2HB GLU 43 -3.466 11.779 -1.088 305 HG2 GLU 43 1HG GLU 43 -3.308 10.038 -2.442 306 HG3 GLU 43 2HG GLU 43 -4.788 10.524 -3.269 307 H SER 44 H SER 44 -7.368 14.030 -1.849 308 HA SER 44 HA SER 44 -7.769 13.933 -4.703 309 HB2 SER 44 1HB SER 44 -9.692 14.054 -3.176 310 HB3 SER 44 2HB SER 44 -9.128 15.615 -2.580 311 HG SER 44 HG SER 44 -10.797 15.645 -4.271 312 H ARG 45 H ARG 45 -6.970 16.521 -2.363 313 HA ARG 45 HA ARG 45 -5.016 17.716 -3.983 314 HB2 ARG 45 1HB ARG 45 -6.333 19.872 -4.459 315 HB3 ARG 45 2HB ARG 45 -6.619 18.490 -5.507 316 HG2 ARG 45 1HG ARG 45 -8.746 18.183 -4.757 317 HG3 ARG 45 2HG ARG 45 -8.392 18.818 -3.151 318 HD2 ARG 45 1HD ARG 45 -8.153 20.747 -5.361 319 HD3 ARG 45 2HD ARG 45 -9.784 20.156 -5.048 320 HE ARG 45 HE ARG 45 -8.894 20.839 -2.585 321 HH11 ARG 45 1HH1 ARG 45 -9.015 22.562 -5.636 322 HH12 ARG 45 2HH1 ARG 45 -9.191 24.115 -4.891 323 HH21 ARG 45 1HH2 ARG 45 -9.132 22.892 -1.613 324 HH22 ARG 45 2HH2 ARG 45 -9.260 24.302 -2.612 325 H VAL 46 H VAL 46 -3.750 18.260 -2.320 326 HA VAL 46 HA VAL 46 -4.825 19.255 0.160 327 HB VAL 46 HB VAL 46 -1.918 19.165 -0.670 328 HG11 VAL 46 1HG1 VAL 46 -1.474 19.127 1.718 329 HG12 VAL 46 2HG1 VAL 46 -3.204 19.164 2.059 330 HG13 VAL 46 3HG1 VAL 46 -2.426 20.550 1.293 331 HG21 VAL 46 3HG2 VAL 46 -2.175 17.019 0.920 332 HG22 VAL 46 1HG2 VAL 46 -2.322 16.943 -0.836 333 HG23 VAL 46 2HG2 VAL 46 -3.770 17.015 0.167 334 H PHE 47 H PHE 47 -2.605 20.599 -2.295 335 HA PHE 47 HA PHE 47 -3.833 23.141 -2.337 336 HB2 PHE 47 1HB PHE 47 -2.501 22.996 -0.052 337 HB3 PHE 47 2HB PHE 47 -1.123 23.357 -1.085 338 HD1 PHE 47 HD1 PHE 47 -4.303 24.619 0.235 339 HD2 PHE 47 HD2 PHE 47 -0.847 25.524 -2.080 340 HE1 PHE 47 HE1 PHE 47 -4.866 27.012 0.336 341 HE2 PHE 47 HE2 PHE 47 -1.405 27.918 -1.983 342 HZ PHE 47 HZ PHE 47 -3.417 28.664 -0.773 343 H GLY 48 H GLY 48 -3.168 21.457 -4.350 344 HA2 GLY 48 1HA GLY 48 -2.336 21.892 -6.509 345 HA3 GLY 48 2HA GLY 48 -1.190 23.030 -5.818 346 H ASP 49 H ASP 49 0.035 21.455 -3.886 347 HA ASP 49 HA ASP 49 1.067 19.111 -5.299 348 HB2 ASP 49 1HB ASP 49 2.436 21.543 -5.279 349 HB3 ASP 49 2HB ASP 49 3.217 20.591 -4.022 350 H ASP 50 H ASP 50 2.261 17.645 -3.932 351 HA ASP 50 HA ASP 50 1.468 17.875 -1.106 352 HB2 ASP 50 1HB ASP 50 1.366 15.687 -3.010 353 HB3 ASP 50 2HB ASP 50 2.251 15.233 -1.557 354 H GLY 51 H GLY 51 4.179 17.403 -3.270 355 HA2 GLY 51 1HA GLY 51 5.966 17.490 -0.925 356 HA3 GLY 51 2HA GLY 51 6.282 16.401 -2.266 357 H GLU 52 H GLU 52 8.101 18.355 -1.331 358 HA GLU 52 HA GLU 52 7.992 20.667 -3.021 359 HB2 GLU 52 1HB GLU 52 9.133 20.605 -0.793 360 HB3 GLU 52 2HB GLU 52 10.373 19.583 -1.507 361 HG2 GLU 52 1HG GLU 52 10.771 21.434 -3.169 362 HG3 GLU 52 2HG GLU 52 9.730 22.441 -2.166 363 H LEU 53 H LEU 53 7.956 20.149 -5.151 364 HA LEU 53 HA LEU 53 8.795 19.719 -7.214 365 HB2 LEU 53 1HB LEU 53 11.419 18.947 -5.958 366 HB3 LEU 53 2HB LEU 53 11.130 19.515 -7.590 367 HG LEU 53 HG LEU 53 10.480 21.350 -5.332 368 HD11 LEU 53 1HD1 LEU 53 12.757 20.287 -4.921 369 HD12 LEU 53 2HD1 LEU 53 12.690 22.047 -4.996 370 HD13 LEU 53 3HD1 LEU 53 13.284 21.126 -6.379 371 HD21 LEU 53 3HD2 LEU 53 10.290 21.615 -7.994 372 HD22 LEU 53 1HD2 LEU 53 11.939 22.195 -7.758 373 HD23 LEU 53 2HD2 LEU 53 10.602 22.967 -6.905 374 H TYR 54 H TYR 54 10.405 17.339 -5.077 375 HA TYR 54 HA TYR 54 9.273 15.209 -6.771 376 HB2 TYR 54 1HB TYR 54 11.696 14.921 -4.995 377 HB3 TYR 54 2HB TYR 54 11.171 13.857 -6.294 378 HD1 TYR 54 HD1 TYR 54 12.554 17.235 -5.602 379 HD2 TYR 54 HD2 TYR 54 11.956 14.173 -8.496 380 HE1 TYR 54 HE1 TYR 54 14.031 18.430 -7.159 381 HE2 TYR 54 HE2 TYR 54 13.437 15.360 -10.062 382 HH TYR 54 HH TYR 54 15.468 17.874 -9.138 383 H ASP 55 H ASP 55 8.139 13.564 -5.837 384 HA ASP 55 HA ASP 55 7.554 13.857 -2.973 385 HB2 ASP 55 1HB ASP 55 5.659 13.995 -4.613 386 HB3 ASP 55 2HB ASP 55 5.974 12.315 -5.038 387 H HIS 56 H HIS 56 8.233 12.378 -1.567 388 HA HIS 56 HA HIS 56 9.238 9.815 -2.612 389 HB2 HIS 56 1HB HIS 56 10.483 11.758 -0.976 390 HB3 HIS 56 2HB HIS 56 10.171 10.362 0.049 391 HD1 HIS 56 HD1 HIS 56 12.426 9.306 0.213 392 HD2 HIS 56 HD2 HIS 56 11.401 10.236 -3.706 393 HE1 HIS 56 HE1 HIS 56 14.247 8.315 -1.212 394 HE2 HIS 56 HE2 HIS 56 13.648 8.962 -3.572 395 H ILE 57 H ILE 57 8.623 7.905 -1.677 396 HA ILE 57 HA ILE 57 6.933 7.926 0.696 397 HB ILE 57 HB ILE 57 5.974 6.493 -1.778 398 HG12 ILE 57 1HG1 ILE 57 5.061 9.193 -0.751 399 HG13 ILE 57 2HG1 ILE 57 5.951 8.911 -2.243 400 HG21 ILE 57 1HG2 ILE 57 4.790 7.086 0.920 401 HG22 ILE 57 2HG2 ILE 57 5.059 5.521 0.155 402 HG23 ILE 57 3HG2 ILE 57 3.801 6.596 -0.455 403 HD11 ILE 57 3HD1 ILE 57 3.284 9.163 -2.102 404 HD12 ILE 57 1HD1 ILE 57 3.439 7.412 -1.963 405 HD13 ILE 57 2HD1 ILE 57 4.121 8.250 -3.357 406 H ASN 58 H ASN 58 7.368 6.209 1.962 407 HA ASN 58 HA ASN 58 9.094 4.126 0.838 408 HB2 ASN 58 1HB ASN 58 8.941 5.481 3.419 409 HB3 ASN 58 2HB ASN 58 9.022 3.729 3.585 410 HD21 ASN 58 2HD2 ASN 58 10.945 2.777 3.426 411 HD22 ASN 58 1HD2 ASN 58 12.393 3.540 2.875 412 H VAL 59 H VAL 59 8.664 1.930 1.129 413 HA VAL 59 HA VAL 59 6.081 1.193 2.296 414 HB VAL 59 HB VAL 59 5.673 1.525 -0.109 415 HG11 VAL 59 1HG1 VAL 59 6.705 -0.195 -1.680 416 HG12 VAL 59 2HG1 VAL 59 7.900 -0.468 -0.411 417 HG13 VAL 59 3HG1 VAL 59 7.742 1.128 -1.144 418 HG21 VAL 59 3HG2 VAL 59 5.610 -1.410 0.564 419 HG22 VAL 59 1HG2 VAL 59 4.540 -0.533 -0.527 420 HG23 VAL 59 2HG2 VAL 59 4.475 -0.226 1.209 421 H LEU 60 H LEU 60 5.897 -1.069 2.842 422 HA LEU 60 HA LEU 60 8.474 -2.496 2.923 423 HB2 LEU 60 1HB LEU 60 7.195 -1.458 5.108 424 HB3 LEU 60 2HB LEU 60 6.569 -3.095 5.079 425 HG LEU 60 HG LEU 60 9.039 -3.827 4.923 426 HD11 LEU 60 1HD1 LEU 60 10.615 -2.247 5.958 427 HD12 LEU 60 2HD1 LEU 60 9.368 -1.001 5.919 428 HD13 LEU 60 3HD1 LEU 60 9.997 -1.664 4.412 429 HD21 LEU 60 3HD2 LEU 60 7.400 -3.885 6.927 430 HD22 LEU 60 1HD2 LEU 60 8.351 -2.528 7.532 431 HD23 LEU 60 2HD2 LEU 60 9.126 -4.082 7.227 432 H ARG 61 H ARG 61 8.415 -4.377 1.884 433 HA ARG 61 HA ARG 61 5.878 -5.872 1.812 434 HB2 ARG 61 1HB ARG 61 6.751 -4.649 -0.380 435 HB3 ARG 61 2HB ARG 61 7.761 -6.084 -0.494 436 HG2 ARG 61 1HG ARG 61 4.797 -6.275 -0.114 437 HG3 ARG 61 2HG ARG 61 5.520 -6.099 -1.712 438 HD2 ARG 61 1HD ARG 61 6.353 -8.253 0.213 439 HD3 ARG 61 2HD ARG 61 5.023 -8.466 -0.921 440 HE ARG 61 HE ARG 61 7.112 -7.644 -2.474 441 HH11 ARG 61 1HH1 ARG 61 6.611 -10.264 -0.216 442 HH12 ARG 61 2HH1 ARG 61 7.704 -11.336 -1.021 443 HH21 ARG 61 1HH2 ARG 61 8.554 -9.060 -3.543 444 HH22 ARG 61 2HH2 ARG 61 8.811 -10.652 -2.913 445 H ASN 62 H ASN 62 6.565 -7.186 3.512 446 HA ASN 62 HA ASN 62 7.551 -8.965 4.524 447 HB2 ASN 62 1HB ASN 62 7.628 -9.612 1.638 448 HB3 ASN 62 2HB ASN 62 8.699 -10.563 2.662 449 HD21 ASN 62 2HD2 ASN 62 7.672 -11.513 4.620 450 HD22 ASN 62 1HD2 ASN 62 6.064 -12.124 4.457 451 H GLY 63 H GLY 63 9.234 -6.495 3.736 452 HA2 GLY 63 1HA GLY 63 11.342 -5.904 4.531 453 HA3 GLY 63 2HA GLY 63 11.742 -7.605 4.686 454 H GLU 64 H GLU 64 10.402 -6.446 1.692 455 HA GLU 64 HA GLU 64 12.987 -6.919 0.407 456 HB2 GLU 64 1HB GLU 64 10.705 -8.085 -0.216 457 HB3 GLU 64 2HB GLU 64 10.448 -6.604 -1.129 458 HG2 GLU 64 1HG GLU 64 12.374 -6.995 -2.464 459 HG3 GLU 64 2HG GLU 64 12.886 -8.336 -1.438 460 H ALA 65 H ALA 65 13.421 -5.590 -1.559 461 HA ALA 65 HA ALA 65 12.961 -2.773 -0.921 462 HB1 ALA 65 3HB ALA 65 15.214 -2.914 -1.124 463 HB2 ALA 65 1HB ALA 65 14.834 -2.651 -2.826 464 HB3 ALA 65 2HB ALA 65 15.140 -4.283 -2.232 465 H ALA 66 H ALA 66 11.122 -2.089 -1.869 466 HA ALA 66 HA ALA 66 9.666 -1.411 -3.468 467 HB1 ALA 66 3HB ALA 66 10.746 -1.511 -5.909 468 HB2 ALA 66 1HB ALA 66 12.216 -1.620 -4.942 469 HB3 ALA 66 2HB ALA 66 11.129 -0.248 -4.740 470 H ALA 67 H ALA 67 8.000 -2.776 -3.589 471 HA ALA 67 HA ALA 67 8.308 -5.262 -5.143 472 HB1 ALA 67 3HB ALA 67 7.671 -5.711 -2.873 473 HB2 ALA 67 1HB ALA 67 6.283 -6.029 -3.913 474 HB3 ALA 67 2HB ALA 67 6.351 -4.543 -2.965 475 H LEU 68 H LEU 68 6.370 -5.958 -6.378 476 HA LEU 68 HA LEU 68 4.313 -4.125 -7.053 477 HB2 LEU 68 1HB LEU 68 6.511 -3.267 -8.204 478 HB3 LEU 68 2HB LEU 68 6.181 -4.548 -9.350 479 HG LEU 68 HG LEU 68 4.288 -2.290 -8.692 480 HD11 LEU 68 1HD1 LEU 68 6.238 -1.458 -9.854 481 HD12 LEU 68 2HD1 LEU 68 4.847 -1.468 -10.939 482 HD13 LEU 68 3HD1 LEU 68 6.082 -2.721 -11.075 483 HD21 LEU 68 3HD2 LEU 68 3.073 -4.247 -9.390 484 HD22 LEU 68 1HD2 LEU 68 4.162 -4.486 -10.756 485 HD23 LEU 68 2HD2 LEU 68 3.092 -3.085 -10.714 486 H GLY 69 H GLY 69 6.225 -6.541 -8.889 487 HA2 GLY 69 1HA GLY 69 3.733 -7.866 -9.639 488 HA3 GLY 69 2HA GLY 69 5.320 -8.169 -10.328 489 H GLU 70 H GLU 70 3.695 -8.434 -7.151 490 HA GLU 70 HA GLU 70 4.902 -11.109 -6.925 491 HB2 GLU 70 1HB GLU 70 5.570 -9.013 -5.319 492 HB3 GLU 70 2HB GLU 70 4.284 -9.769 -4.385 493 HG2 GLU 70 1HG GLU 70 6.217 -10.801 -3.615 494 HG3 GLU 70 2HG GLU 70 5.538 -11.958 -4.757 495 H ALA 71 H ALA 71 2.254 -10.379 -7.942 496 HA ALA 71 HA ALA 71 0.195 -10.812 -6.096 497 HB1 ALA 71 3HB ALA 71 -1.198 -10.873 -7.885 498 HB2 ALA 71 1HB ALA 71 -0.138 -11.928 -8.818 499 HB3 ALA 71 2HB ALA 71 0.222 -10.207 -8.689 500 H THR 72 H THR 72 2.473 -13.050 -7.454 501 HA THR 72 HA THR 72 0.918 -15.414 -6.998 502 HB THR 72 HB THR 72 2.667 -15.328 -8.728 503 HG1 THR 72 HG1 THR 72 2.156 -17.352 -7.793 504 HG21 THR 72 3HG2 THR 72 4.382 -13.988 -7.821 505 HG22 THR 72 1HG2 THR 72 5.050 -15.610 -7.988 506 HG23 THR 72 2HG2 THR 72 4.543 -15.023 -6.404 507 H ALA 73 H ALA 73 3.053 -13.442 -5.090 508 HA ALA 73 HA ALA 73 3.780 -15.377 -3.162 509 HB1 ALA 73 3HB ALA 73 5.172 -13.582 -3.008 510 HB2 ALA 73 1HB ALA 73 4.021 -13.143 -1.746 511 HB3 ALA 73 2HB ALA 73 3.891 -12.420 -3.349 512 H ALA 74 H ALA 74 3.021 -15.571 -0.972 513 HA ALA 74 HA ALA 74 0.151 -15.534 -0.793 514 HB1 ALA 74 3HB ALA 74 1.572 -17.363 0.133 515 HB2 ALA 74 1HB ALA 74 0.431 -16.684 1.294 516 HB3 ALA 74 2HB ALA 74 2.136 -16.237 1.368 517 H GLY 75 H GLY 75 0.246 -13.070 -1.112 518 HA2 GLY 75 1HA GLY 75 -0.843 -11.634 0.812 519 HA3 GLY 75 2HA GLY 75 0.827 -11.610 1.353 520 H ASP 76 H ASP 76 0.187 -9.216 1.059 521 HA ASP 76 HA ASP 76 0.864 -8.389 -1.684 522 HB2 ASP 76 1HB ASP 76 -0.908 -7.047 0.358 523 HB3 ASP 76 2HB ASP 76 -0.290 -6.209 -1.062 524 H GLU 77 H GLU 77 0.835 -6.757 1.471 525 HA GLU 77 HA GLU 77 3.722 -6.441 1.406 526 HB2 GLU 77 1HB GLU 77 3.633 -3.994 1.612 527 HB3 GLU 77 2HB GLU 77 2.938 -4.525 0.088 528 HG2 GLU 77 1HG GLU 77 0.901 -3.738 0.591 529 HG3 GLU 77 2HG GLU 77 1.010 -4.233 2.278 530 H LEU 78 H LEU 78 4.053 -4.596 3.397 531 HA LEU 78 HA LEU 78 2.694 -5.864 5.683 532 HB2 LEU 78 1HB LEU 78 5.477 -4.766 5.381 533 HB3 LEU 78 2HB LEU 78 4.752 -5.014 6.958 534 HG LEU 78 HG LEU 78 5.079 -7.222 4.928 535 HD11 LEU 78 1HD1 LEU 78 6.993 -7.948 6.317 536 HD12 LEU 78 2HD1 LEU 78 6.885 -6.430 7.207 537 HD13 LEU 78 3HD1 LEU 78 7.279 -6.417 5.489 538 HD21 LEU 78 3HD2 LEU 78 4.552 -8.698 6.690 539 HD22 LEU 78 1HD2 LEU 78 3.349 -7.410 6.772 540 HD23 LEU 78 2HD2 LEU 78 4.701 -7.428 7.904 541 H ALA 79 H ALA 79 4.126 -2.801 4.551 542 HA ALA 79 HA ALA 79 1.923 -1.290 5.602 543 HB1 ALA 79 3HB ALA 79 3.224 0.072 7.171 544 HB2 ALA 79 1HB ALA 79 4.637 -0.944 6.887 545 HB3 ALA 79 2HB ALA 79 3.203 -1.624 7.656 546 H LEU 80 H LEU 80 2.276 1.115 5.235 547 HA LEU 80 HA LEU 80 4.310 1.768 3.253 548 HB2 LEU 80 1HB LEU 80 2.233 0.899 2.072 549 HB3 LEU 80 2HB LEU 80 1.405 2.323 2.669 550 HG LEU 80 HG LEU 80 3.923 2.852 1.222 551 HD11 LEU 80 1HD1 LEU 80 3.398 2.052 -0.804 552 HD12 LEU 80 2HD1 LEU 80 1.680 2.401 -0.609 553 HD13 LEU 80 3HD1 LEU 80 2.366 0.933 0.086 554 HD21 LEU 80 3HD2 LEU 80 1.332 4.084 0.501 555 HD22 LEU 80 1HD2 LEU 80 2.919 4.820 0.728 556 HD23 LEU 80 2HD2 LEU 80 1.935 4.395 2.128 557 H PHE 81 H PHE 81 5.254 3.511 4.098 558 HA PHE 81 HA PHE 81 3.634 5.825 4.787 559 HB2 PHE 81 1HB PHE 81 5.007 6.058 6.978 560 HB3 PHE 81 2HB PHE 81 3.627 4.968 6.956 561 HD1 PHE 81 HD2 PHE 81 7.281 4.825 6.166 562 HD2 PHE 81 HD1 PHE 81 3.929 2.956 8.009 563 HE1 PHE 81 HE2 PHE 81 8.729 2.990 6.928 564 HE2 PHE 81 HE1 PHE 81 5.374 1.119 8.776 565 HZ PHE 81 HZ PHE 81 7.776 1.132 8.236 566 HA PRO 82 HA PRO 82 7.053 8.056 3.109 567 HB2 PRO 82 1HB PRO 82 7.038 10.351 4.572 568 HB3 PRO 82 2HB PRO 82 5.836 9.989 3.328 569 HG2 PRO 82 1HG PRO 82 5.636 9.683 6.301 570 HG3 PRO 82 2HG PRO 82 4.440 10.324 5.158 571 HD2 PRO 82 1HD PRO 82 4.300 7.809 6.134 572 HD3 PRO 82 2HD PRO 82 3.757 8.221 4.495 573 HA PRO 83 HA PRO 83 10.636 7.248 5.582 574 HB2 PRO 83 1HB PRO 83 12.439 8.906 4.401 575 HB3 PRO 83 2HB PRO 83 11.881 7.401 3.664 576 HG2 PRO 83 1HG PRO 83 11.008 10.211 3.130 577 HG3 PRO 83 2HG PRO 83 11.311 8.894 1.982 578 HD2 PRO 83 1HD PRO 83 8.816 9.611 2.773 579 HD3 PRO 83 2HD PRO 83 9.242 7.947 2.330 580 H VAL 84 H VAL 84 10.000 10.710 4.957 581 HA VAL 84 HA VAL 84 10.764 11.268 7.747 582 HB VAL 84 HB VAL 84 11.238 13.160 5.438 583 HG11 VAL 84 1HG1 VAL 84 11.710 13.260 8.377 584 HG12 VAL 84 2HG1 VAL 84 11.143 14.519 7.281 585 HG13 VAL 84 3HG1 VAL 84 12.849 14.077 7.308 586 HG21 VAL 84 3HG2 VAL 84 13.607 12.618 5.618 587 HG22 VAL 84 1HG2 VAL 84 12.670 11.177 5.218 588 HG23 VAL 84 2HG2 VAL 84 13.252 11.421 6.865 589 H SER 85 H SER 85 9.599 12.916 8.805 590 HA SER 85 HA SER 85 6.999 13.503 7.572 591 HB2 SER 85 1HB SER 85 6.726 12.341 9.643 592 HB3 SER 85 2HB SER 85 7.882 13.390 10.461 593 HG SER 85 HG SER 85 6.395 14.905 10.661 594 H GLY 86 H GLY 86 7.178 15.379 6.482 595 HA2 GLY 86 1HA GLY 86 7.585 17.796 8.004 596 HA3 GLY 86 2HA GLY 86 8.836 17.500 6.807 597 H GLY 87 H GLY 87 7.446 19.771 6.564 598 HA2 GLY 87 1HA GLY 87 5.758 19.244 4.204 599 HA3 GLY 87 2HA GLY 87 5.227 20.373 5.438 Start of MODEL 14 1 H1 MET 1 1H MET 1 0.019 -9.473 3.091 2 H2 MET 1 2H MET 1 -0.686 -11.009 2.815 3 H3 MET 1 3H MET 1 -0.895 -10.227 4.326 4 HA MET 1 HA MET 1 -1.820 -9.050 1.801 5 HB2 MET 1 1HB MET 1 -3.167 -11.030 3.635 6 HB3 MET 1 2HB MET 1 -4.076 -9.982 2.558 7 HG2 MET 1 1HG MET 1 -3.634 -11.238 0.778 8 HG3 MET 1 2HG MET 1 -1.935 -11.420 1.212 9 HE1 MET 1 3HE MET 1 -1.570 -14.708 2.782 10 HE2 MET 1 1HE MET 1 -1.600 -13.268 3.797 11 HE3 MET 1 2HE MET 1 -0.887 -13.195 2.186 12 H GLU 2 H GLU 2 -0.546 -7.768 4.040 13 HA GLU 2 HA GLU 2 -2.844 -6.367 5.241 14 HB2 GLU 2 1HB GLU 2 -0.073 -6.425 6.420 15 HB3 GLU 2 2HB GLU 2 -1.572 -5.934 7.193 16 HG2 GLU 2 1HG GLU 2 -2.352 -8.199 7.255 17 HG3 GLU 2 2HG GLU 2 -0.967 -8.745 6.310 18 H TRP 3 H TRP 3 -2.541 -4.075 5.689 19 HA TRP 3 HA TRP 3 -0.429 -2.704 4.238 20 HB2 TRP 3 1HB TRP 3 -2.075 -3.016 2.478 21 HB3 TRP 3 2HB TRP 3 -3.354 -2.407 3.520 22 HD1 TRP 3 HD TRP 3 -2.934 0.306 4.302 23 HE1 TRP 3 HE1 TRP 3 -2.188 2.250 2.795 24 HE3 TRP 3 HE3 TRP 3 -0.845 -2.380 0.487 25 HZ2 TRP 3 HZ2 TRP 3 -0.894 2.602 0.314 26 HZ3 TRP 3 HZ3 TRP 3 0.122 -1.161 -1.421 27 HH2 TRP 3 HH TRP 3 0.095 1.279 -1.502 28 H LYS 4 H LYS 4 -0.039 -0.657 5.002 29 HA LYS 4 HA LYS 4 -1.863 0.481 6.998 30 HB2 LYS 4 1HB LYS 4 0.841 -0.558 7.478 31 HB3 LYS 4 2HB LYS 4 0.605 1.087 8.053 32 HG2 LYS 4 1HG LYS 4 -1.045 0.454 9.566 33 HG3 LYS 4 2HG LYS 4 -1.347 -1.078 8.741 34 HD2 LYS 4 1HD LYS 4 1.402 -0.746 9.711 35 HD3 LYS 4 2HD LYS 4 0.181 -0.773 10.987 36 HE2 LYS 4 1HE LYS 4 0.050 -2.830 8.833 37 HE3 LYS 4 2HE LYS 4 1.283 -2.996 10.082 38 HZ1 LYS 4 3HZ LYS 4 -0.253 -3.426 11.673 39 HZ2 LYS 4 1HZ LYS 4 -1.129 -4.002 10.346 40 HZ3 LYS 4 2HZ LYS 4 -1.451 -2.462 10.966 41 H LEU 5 H LEU 5 -1.797 2.765 7.116 42 HA LEU 5 HA LEU 5 0.071 4.100 5.283 43 HB2 LEU 5 1HB LEU 5 -2.322 3.557 4.349 44 HB3 LEU 5 2HB LEU 5 -2.789 4.955 5.294 45 HG LEU 5 HG LEU 5 -1.323 6.382 4.015 46 HD11 LEU 5 1HD1 LEU 5 -0.265 3.797 3.013 47 HD12 LEU 5 2HD1 LEU 5 0.580 5.295 3.403 48 HD13 LEU 5 3HD1 LEU 5 -0.314 5.154 1.889 49 HD21 LEU 5 3HD2 LEU 5 -3.567 5.906 3.131 50 HD22 LEU 5 1HD2 LEU 5 -2.898 4.584 2.178 51 HD23 LEU 5 2HD2 LEU 5 -2.403 6.244 1.851 52 H PHE 6 H PHE 6 0.214 6.441 5.594 53 HA PHE 6 HA PHE 6 0.062 7.107 8.416 54 HB2 PHE 6 1HB PHE 6 1.764 7.826 6.259 55 HB3 PHE 6 2HB PHE 6 1.003 9.304 6.836 56 HD1 PHE 6 HD1 PHE 6 3.158 6.481 7.748 57 HD2 PHE 6 HD2 PHE 6 1.530 10.210 8.986 58 HE1 PHE 6 HE1 PHE 6 4.746 6.544 9.622 59 HE2 PHE 6 HE2 PHE 6 3.119 10.283 10.864 60 HZ PHE 6 HZ PHE 6 4.729 8.448 11.185 61 H ALA 7 H ALA 7 -0.512 9.508 8.889 62 HA ALA 7 HA ALA 7 -3.268 9.863 8.364 63 HB1 ALA 7 3HB ALA 7 -1.253 11.765 9.547 64 HB2 ALA 7 1HB ALA 7 -2.313 10.660 10.423 65 HB3 ALA 7 2HB ALA 7 -2.999 12.023 9.536 66 H ASP 8 H ASP 8 -0.415 10.993 6.717 67 HA ASP 8 HA ASP 8 -1.241 13.279 5.428 68 HB2 ASP 8 1HB ASP 8 0.367 10.994 4.252 69 HB3 ASP 8 2HB ASP 8 0.254 12.606 3.557 70 H LEU 9 H LEU 9 -2.020 9.936 4.646 71 HA LEU 9 HA LEU 9 -3.801 10.788 2.467 72 HB2 LEU 9 1HB LEU 9 -2.779 8.062 3.266 73 HB3 LEU 9 2HB LEU 9 -3.866 8.364 1.925 74 HG LEU 9 HG LEU 9 -1.639 10.062 1.547 75 HD11 LEU 9 1HD1 LEU 9 0.258 8.851 1.854 76 HD12 LEU 9 2HD1 LEU 9 -0.564 7.302 1.683 77 HD13 LEU 9 3HD1 LEU 9 -0.690 8.205 3.191 78 HD21 LEU 9 3HD2 LEU 9 -1.663 9.162 -0.541 79 HD22 LEU 9 1HD2 LEU 9 -3.253 8.630 0.003 80 HD23 LEU 9 2HD2 LEU 9 -1.887 7.515 0.047 81 H ALA 10 H ALA 10 -3.811 9.166 5.614 82 HA ALA 10 HA ALA 10 -6.532 8.327 5.486 83 HB1 ALA 10 3HB ALA 10 -5.407 8.813 8.159 84 HB2 ALA 10 1HB ALA 10 -4.475 7.722 7.135 85 HB3 ALA 10 2HB ALA 10 -6.166 7.369 7.487 86 H GLU 11 H GLU 11 -5.179 11.420 5.878 87 HA GLU 11 HA GLU 11 -7.109 12.526 7.654 88 HB2 GLU 11 1HB GLU 11 -4.747 13.414 6.439 89 HB3 GLU 11 2HB GLU 11 -6.004 14.466 5.807 90 HG2 GLU 11 1HG GLU 11 -5.175 15.531 7.727 91 HG3 GLU 11 2HG GLU 11 -6.727 14.838 8.195 92 H VAL 12 H VAL 12 -6.951 12.114 4.156 93 HA VAL 12 HA VAL 12 -9.466 13.583 3.849 94 HB VAL 12 HB VAL 12 -7.840 12.433 1.605 95 HG11 VAL 12 1HG1 VAL 12 -10.279 13.289 1.387 96 HG12 VAL 12 2HG1 VAL 12 -9.076 13.814 0.211 97 HG13 VAL 12 3HG1 VAL 12 -9.551 14.888 1.526 98 HG21 VAL 12 3HG2 VAL 12 -6.209 13.813 2.376 99 HG22 VAL 12 1HG2 VAL 12 -7.336 14.816 3.287 100 HG23 VAL 12 2HG2 VAL 12 -7.174 15.031 1.544 101 H ALA 13 H ALA 13 -8.119 10.343 3.384 102 HA ALA 13 HA ALA 13 -10.655 9.345 2.381 103 HB1 ALA 13 3HB ALA 13 -8.153 8.606 1.795 104 HB2 ALA 13 1HB ALA 13 -9.532 7.518 1.652 105 HB3 ALA 13 2HB ALA 13 -8.498 7.447 3.077 106 H GLY 14 H GLY 14 -8.586 8.887 5.237 107 HA2 GLY 14 1HA GLY 14 -9.489 8.662 7.435 108 HA3 GLY 14 2HA GLY 14 -10.968 8.029 6.732 109 H SER 15 H SER 15 -9.325 6.264 4.915 110 HA SER 15 HA SER 15 -8.778 4.171 6.906 111 HB2 SER 15 1HB SER 15 -10.553 3.884 5.029 112 HB3 SER 15 2HB SER 15 -9.163 3.650 3.970 113 HG SER 15 HG SER 15 -8.576 1.867 5.140 114 H ARG 16 H ARG 16 -6.690 3.968 7.355 115 HA ARG 16 HA ARG 16 -4.718 4.465 5.254 116 HB2 ARG 16 1HB ARG 16 -3.157 4.286 7.363 117 HB3 ARG 16 2HB ARG 16 -4.027 5.769 7.018 118 HG2 ARG 16 1HG ARG 16 -5.411 5.529 8.808 119 HG3 ARG 16 2HG ARG 16 -5.338 3.767 8.772 120 HD2 ARG 16 1HD ARG 16 -3.195 3.745 9.787 121 HD3 ARG 16 2HD ARG 16 -2.990 5.479 9.547 122 HE ARG 16 HE ARG 16 -4.422 4.174 11.675 123 HH11 ARG 16 1HH1 ARG 16 -4.033 7.150 9.868 124 HH12 ARG 16 2HH1 ARG 16 -4.676 8.145 11.130 125 HH21 ARG 16 1HH2 ARG 16 -5.277 5.489 13.331 126 HH22 ARG 16 2HH2 ARG 16 -5.384 7.201 13.098 127 H THR 17 H THR 17 -5.573 2.110 7.785 128 HA THR 17 HA THR 17 -3.759 0.175 6.552 129 HB THR 17 HB THR 17 -3.774 -1.031 8.565 130 HG1 THR 17 HG1 THR 17 -5.736 -1.298 9.304 131 HG21 THR 17 3HG2 THR 17 -3.113 0.439 10.243 132 HG22 THR 17 1HG2 THR 17 -4.190 1.715 9.676 133 HG23 THR 17 2HG2 THR 17 -2.752 1.295 8.745 134 H VAL 18 H VAL 18 -4.418 -1.748 5.694 135 HA VAL 18 HA VAL 18 -7.252 -2.461 5.768 136 HB VAL 18 HB VAL 18 -5.823 -2.422 3.118 137 HG11 VAL 18 1HG1 VAL 18 -7.853 -2.921 2.176 138 HG12 VAL 18 2HG1 VAL 18 -8.771 -2.195 3.494 139 HG13 VAL 18 3HG1 VAL 18 -7.994 -3.763 3.718 140 HG21 VAL 18 3HG2 VAL 18 -7.027 -0.340 2.582 141 HG22 VAL 18 1HG2 VAL 18 -5.843 -0.119 3.869 142 HG23 VAL 18 2HG2 VAL 18 -7.559 -0.233 4.259 143 H ARG 19 H ARG 19 -7.517 -4.613 6.001 144 HA ARG 19 HA ARG 19 -5.199 -6.355 5.473 145 HB2 ARG 19 1HB ARG 19 -7.507 -6.921 7.342 146 HB3 ARG 19 2HB ARG 19 -6.023 -7.849 7.176 147 HG2 ARG 19 1HG ARG 19 -5.302 -5.177 7.789 148 HG3 ARG 19 2HG ARG 19 -6.577 -5.666 8.904 149 HD2 ARG 19 1HD ARG 19 -5.317 -7.600 9.583 150 HD3 ARG 19 2HD ARG 19 -4.091 -7.284 8.356 151 HE ARG 19 HE ARG 19 -3.114 -5.804 9.786 152 HH11 ARG 19 1HH1 ARG 19 -6.420 -6.311 10.837 153 HH12 ARG 19 2HH1 ARG 19 -6.241 -5.361 12.273 154 HH21 ARG 19 1HH2 ARG 19 -2.886 -4.553 11.685 155 HH22 ARG 19 2HH2 ARG 19 -4.232 -4.362 12.755 156 H VAL 20 H VAL 20 -5.413 -8.087 4.132 157 HA VAL 20 HA VAL 20 -8.086 -8.559 2.968 158 HB VAL 20 HB VAL 20 -5.456 -8.956 1.541 159 HG11 VAL 20 1HG1 VAL 20 -8.303 -9.371 0.855 160 HG12 VAL 20 2HG1 VAL 20 -6.868 -10.247 0.326 161 HG13 VAL 20 3HG1 VAL 20 -7.271 -8.693 -0.402 162 HG21 VAL 20 3HG2 VAL 20 -6.548 -6.888 0.234 163 HG22 VAL 20 1HG2 VAL 20 -5.410 -6.690 1.567 164 HG23 VAL 20 2HG2 VAL 20 -7.144 -6.547 1.859 165 H ASP 21 H ASP 21 -8.817 -10.612 2.801 166 HA ASP 21 HA ASP 21 -7.070 -12.751 3.833 167 HB2 ASP 21 1HB ASP 21 -9.909 -12.076 4.279 168 HB3 ASP 21 2HB ASP 21 -9.571 -13.791 4.060 169 H VAL 22 H VAL 22 -8.947 -11.708 1.125 170 HA VAL 22 HA VAL 22 -9.103 -14.346 -0.069 171 HB VAL 22 HB VAL 22 -10.955 -12.736 -0.348 172 HG11 VAL 22 1HG1 VAL 22 -9.844 -10.645 -0.442 173 HG12 VAL 22 2HG1 VAL 22 -10.610 -10.873 -2.014 174 HG13 VAL 22 3HG1 VAL 22 -8.877 -11.141 -1.832 175 HG21 VAL 22 3HG2 VAL 22 -9.731 -13.241 -3.046 176 HG22 VAL 22 1HG2 VAL 22 -11.433 -13.273 -2.580 177 HG23 VAL 22 2HG2 VAL 22 -10.347 -14.553 -2.042 178 H ASP 23 H ASP 23 -8.140 -14.914 -2.082 179 HA ASP 23 HA ASP 23 -5.664 -13.427 -2.664 180 HB2 ASP 23 1HB ASP 23 -6.025 -16.144 -2.040 181 HB3 ASP 23 2HB ASP 23 -5.691 -16.100 -3.769 182 H GLY 24 H GLY 24 -4.973 -13.252 -4.865 183 HA2 GLY 24 1HA GLY 24 -6.649 -14.082 -7.030 184 HA3 GLY 24 2HA GLY 24 -6.855 -12.375 -6.674 185 H ASP 25 H ASP 25 -6.031 -11.866 -8.776 186 HA ASP 25 HA ASP 25 -3.160 -12.396 -9.150 187 HB2 ASP 25 1HB ASP 25 -5.430 -12.304 -10.955 188 HB3 ASP 25 2HB ASP 25 -4.145 -11.228 -11.492 189 H ALA 26 H ALA 26 -4.203 -10.329 -7.349 190 HA ALA 26 HA ALA 26 -3.737 -7.806 -8.680 191 HB1 ALA 26 3HB ALA 26 -5.360 -8.300 -6.715 192 HB2 ALA 26 1HB ALA 26 -4.462 -6.782 -6.731 193 HB3 ALA 26 2HB ALA 26 -3.925 -8.114 -5.708 194 H THR 27 H THR 27 -1.799 -6.875 -8.934 195 HA THR 27 HA THR 27 0.558 -8.070 -7.811 196 HB THR 27 HB THR 27 1.274 -5.604 -8.953 197 HG1 THR 27 HG1 THR 27 0.094 -5.436 -10.775 198 HG21 THR 27 3HG2 THR 27 2.390 -6.826 -10.541 199 HG22 THR 27 1HG2 THR 27 1.148 -8.076 -10.610 200 HG23 THR 27 2HG2 THR 27 2.240 -7.995 -9.229 201 H VAL 28 H VAL 28 2.247 -6.718 -6.722 202 HA VAL 28 HA VAL 28 1.113 -5.492 -4.400 203 HB VAL 28 HB VAL 28 4.021 -5.530 -5.225 204 HG11 VAL 28 1HG1 VAL 28 2.553 -4.683 -2.799 205 HG12 VAL 28 2HG1 VAL 28 4.062 -4.081 -3.482 206 HG13 VAL 28 3HG1 VAL 28 4.053 -5.574 -2.548 207 HG21 VAL 28 3HG2 VAL 28 4.155 -7.489 -3.656 208 HG22 VAL 28 1HG2 VAL 28 3.306 -7.797 -5.171 209 HG23 VAL 28 2HG2 VAL 28 2.393 -7.542 -3.683 210 H GLY 29 H GLY 29 2.510 -4.368 -7.402 211 HA2 GLY 29 1HA GLY 29 2.679 -1.639 -6.455 212 HA3 GLY 29 2HA GLY 29 3.103 -2.206 -8.058 213 H ASP 30 H ASP 30 0.508 -3.626 -8.343 214 HA ASP 30 HA ASP 30 -0.949 -1.684 -9.703 215 HB2 ASP 30 1HB ASP 30 -1.246 -4.037 -10.178 216 HB3 ASP 30 2HB ASP 30 -1.853 -4.334 -8.553 217 H ALA 31 H ALA 31 -1.337 -2.902 -6.393 218 HA ALA 31 HA ALA 31 -3.600 -1.169 -5.887 219 HB1 ALA 31 3HB ALA 31 -3.351 -3.476 -4.895 220 HB2 ALA 31 1HB ALA 31 -3.732 -2.190 -3.750 221 HB3 ALA 31 2HB ALA 31 -2.084 -2.807 -3.866 222 H LEU 32 H LEU 32 -0.151 -1.258 -5.282 223 HA LEU 32 HA LEU 32 0.080 0.696 -3.311 224 HB2 LEU 32 1HB LEU 32 1.835 -0.849 -4.625 225 HB3 LEU 32 2HB LEU 32 2.103 0.654 -5.482 226 HG LEU 32 HG LEU 32 2.273 0.422 -2.481 227 HD11 LEU 32 1HD1 LEU 32 4.443 -0.197 -2.569 228 HD12 LEU 32 2HD1 LEU 32 4.739 0.654 -4.086 229 HD13 LEU 32 3HD1 LEU 32 3.941 -0.918 -4.099 230 HD21 LEU 32 3HD2 LEU 32 3.504 2.486 -4.286 231 HD22 LEU 32 1HD2 LEU 32 3.285 2.545 -2.538 232 HD23 LEU 32 2HD2 LEU 32 1.888 2.669 -3.606 233 H ASP 33 H ASP 33 0.514 1.153 -6.836 234 HA ASP 33 HA ASP 33 0.486 3.975 -6.714 235 HB2 ASP 33 1HB ASP 33 1.441 2.874 -8.632 236 HB3 ASP 33 2HB ASP 33 -0.089 2.092 -9.007 237 H ALA 34 H ALA 34 -2.059 1.575 -7.186 238 HA ALA 34 HA ALA 34 -4.136 3.297 -7.934 239 HB1 ALA 34 3HB ALA 34 -5.649 1.519 -7.089 240 HB2 ALA 34 1HB ALA 34 -4.245 0.691 -6.421 241 HB3 ALA 34 2HB ALA 34 -4.389 0.917 -8.166 242 H LEU 35 H LEU 35 -3.299 2.052 -4.685 243 HA LEU 35 HA LEU 35 -5.217 3.620 -3.323 244 HB2 LEU 35 1HB LEU 35 -2.642 2.443 -2.277 245 HB3 LEU 35 2HB LEU 35 -3.943 3.073 -1.287 246 HG LEU 35 HG LEU 35 -3.852 0.537 -2.881 247 HD11 LEU 35 1HD1 LEU 35 -4.151 1.350 -0.062 248 HD12 LEU 35 2HD1 LEU 35 -3.344 -0.053 -0.766 249 HD13 LEU 35 3HD1 LEU 35 -5.099 -0.041 -0.592 250 HD21 LEU 35 3HD2 LEU 35 -5.899 1.170 -3.674 251 HD22 LEU 35 1HD2 LEU 35 -6.243 2.202 -2.286 252 HD23 LEU 35 2HD2 LEU 35 -6.375 0.449 -2.136 253 H VAL 36 H VAL 36 -2.133 4.411 -4.667 254 HA VAL 36 HA VAL 36 -1.751 6.740 -2.978 255 HB VAL 36 HB VAL 36 -0.212 5.713 -5.362 256 HG11 VAL 36 1HG1 VAL 36 0.325 8.146 -3.661 257 HG12 VAL 36 2HG1 VAL 36 -0.074 8.123 -5.380 258 HG13 VAL 36 3HG1 VAL 36 1.458 7.453 -4.823 259 HG21 VAL 36 3HG2 VAL 36 1.245 4.780 -3.900 260 HG22 VAL 36 1HG2 VAL 36 -0.191 4.734 -2.879 261 HG23 VAL 36 2HG2 VAL 36 0.991 6.025 -2.679 262 H GLY 37 H GLY 37 -2.460 6.131 -6.435 263 HA2 GLY 37 1HA GLY 37 -3.254 8.976 -6.656 264 HA3 GLY 37 2HA GLY 37 -2.657 8.006 -7.989 265 H ALA 38 H ALA 38 -4.236 5.704 -7.535 266 HA ALA 38 HA ALA 38 -6.635 6.507 -8.855 267 HB1 ALA 38 3HB ALA 38 -5.332 4.337 -9.189 268 HB2 ALA 38 1HB ALA 38 -7.092 4.240 -9.167 269 HB3 ALA 38 2HB ALA 38 -6.167 3.760 -7.745 270 H HIS 39 H HIS 39 -5.945 6.721 -5.629 271 HA HIS 39 HA HIS 39 -8.748 6.272 -4.889 272 HB2 HIS 39 1HB HIS 39 -6.592 4.950 -3.824 273 HB3 HIS 39 2HB HIS 39 -6.805 6.270 -2.685 274 HD1 HIS 39 HD1 HIS 39 -7.940 2.940 -3.325 275 HD2 HIS 39 HD2 HIS 39 -9.666 6.385 -1.773 276 HE1 HIS 39 HE1 HIS 39 -9.958 2.161 -2.044 277 HE2 HIS 39 HE2 HIS 39 -10.955 4.257 -1.064 278 HA PRO 40 HA PRO 40 -7.613 10.859 -4.779 279 HB2 PRO 40 1HB PRO 40 -10.554 10.703 -5.289 280 HB3 PRO 40 2HB PRO 40 -9.373 11.849 -5.934 281 HG2 PRO 40 1HG PRO 40 -10.232 9.875 -7.449 282 HG3 PRO 40 2HG PRO 40 -8.503 10.272 -7.428 283 HD2 PRO 40 1HD PRO 40 -9.945 8.006 -6.115 284 HD3 PRO 40 2HD PRO 40 -8.342 8.036 -6.877 285 H ALA 41 H ALA 41 -9.817 8.747 -3.085 286 HA ALA 41 HA ALA 41 -11.079 10.453 -1.331 287 HB1 ALA 41 3HB ALA 41 -11.493 8.599 0.037 288 HB2 ALA 41 1HB ALA 41 -9.999 7.796 -0.444 289 HB3 ALA 41 2HB ALA 41 -11.336 7.929 -1.587 290 H LEU 42 H LEU 42 -7.748 9.213 -1.134 291 HA LEU 42 HA LEU 42 -7.298 10.482 1.432 292 HB2 LEU 42 1HB LEU 42 -5.055 9.467 -0.240 293 HB3 LEU 42 2HB LEU 42 -5.272 9.404 1.496 294 HG LEU 42 HG LEU 42 -7.289 7.785 0.267 295 HD11 LEU 42 1HD1 LEU 42 -5.730 7.697 -1.639 296 HD12 LEU 42 2HD1 LEU 42 -5.929 6.133 -0.851 297 HD13 LEU 42 3HD1 LEU 42 -4.477 7.088 -0.560 298 HD21 LEU 42 3HD2 LEU 42 -6.613 6.230 1.823 299 HD22 LEU 42 1HD2 LEU 42 -6.064 7.727 2.573 300 HD23 LEU 42 2HD2 LEU 42 -4.918 6.698 1.717 301 H GLU 43 H GLU 43 -7.022 11.352 -1.870 302 HA GLU 43 HA GLU 43 -6.379 13.229 -2.948 303 HB2 GLU 43 1HB GLU 43 -6.773 14.166 -0.175 304 HB3 GLU 43 2HB GLU 43 -5.839 15.224 -1.226 305 HG2 GLU 43 1HG GLU 43 -8.472 14.116 -2.112 306 HG3 GLU 43 2HG GLU 43 -8.389 15.540 -1.076 307 H SER 44 H SER 44 -4.551 13.380 -3.973 308 HA SER 44 HA SER 44 -2.018 13.049 -2.551 309 HB2 SER 44 1HB SER 44 -2.567 11.709 -4.634 310 HB3 SER 44 2HB SER 44 -2.447 13.216 -5.542 311 HG SER 44 HG SER 44 -0.397 11.986 -4.006 312 H ARG 45 H ARG 45 -3.898 15.462 -4.228 313 HA ARG 45 HA ARG 45 -1.833 17.453 -3.623 314 HB2 ARG 45 1HB ARG 45 -2.158 18.546 -5.780 315 HB3 ARG 45 2HB ARG 45 -1.612 16.892 -6.003 316 HG2 ARG 45 1HG ARG 45 -4.536 17.411 -6.051 317 HG3 ARG 45 2HG ARG 45 -3.572 17.927 -7.435 318 HD2 ARG 45 1HD ARG 45 -3.694 15.849 -8.204 319 HD3 ARG 45 2HD ARG 45 -2.680 15.350 -6.848 320 HE ARG 45 HE ARG 45 -5.279 15.443 -5.898 321 HH11 ARG 45 1HH1 ARG 45 -3.525 13.674 -8.362 322 HH12 ARG 45 2HH1 ARG 45 -4.513 12.260 -8.221 323 HH21 ARG 45 1HH2 ARG 45 -6.570 13.579 -5.712 324 HH22 ARG 45 2HH2 ARG 45 -6.242 12.206 -6.716 325 H VAL 46 H VAL 46 -2.819 19.757 -4.026 326 HA VAL 46 HA VAL 46 -5.656 19.815 -3.277 327 HB VAL 46 HB VAL 46 -3.665 21.544 -1.820 328 HG11 VAL 46 1HG1 VAL 46 -6.336 21.793 -2.020 329 HG12 VAL 46 2HG1 VAL 46 -5.415 22.284 -0.600 330 HG13 VAL 46 3HG1 VAL 46 -6.234 20.724 -0.622 331 HG21 VAL 46 3HG2 VAL 46 -2.962 19.402 -1.161 332 HG22 VAL 46 1HG2 VAL 46 -4.611 18.774 -1.131 333 HG23 VAL 46 2HG2 VAL 46 -4.077 19.909 0.107 334 H PHE 47 H PHE 47 -4.528 20.415 -5.800 335 HA PHE 47 HA PHE 47 -5.713 22.906 -6.346 336 HB2 PHE 47 1HB PHE 47 -3.434 23.531 -5.217 337 HB3 PHE 47 2HB PHE 47 -2.745 23.083 -6.771 338 HD1 PHE 47 HD1 PHE 47 -3.508 24.306 -8.836 339 HD2 PHE 47 HD2 PHE 47 -4.471 25.613 -4.901 340 HE1 PHE 47 HE1 PHE 47 -4.015 26.550 -9.709 341 HE2 PHE 47 HE2 PHE 47 -4.981 27.857 -5.769 342 HZ PHE 47 HZ PHE 47 -4.753 28.329 -8.175 343 H GLY 48 H GLY 48 -6.659 21.455 -7.879 344 HA2 GLY 48 1HA GLY 48 -6.911 20.571 -9.982 345 HA3 GLY 48 2HA GLY 48 -5.588 21.620 -10.464 346 H ASP 49 H ASP 49 -3.553 20.786 -10.729 347 HA ASP 49 HA ASP 49 -2.895 18.124 -9.830 348 HB2 ASP 49 1HB ASP 49 -3.665 18.681 -12.641 349 HB3 ASP 49 2HB ASP 49 -2.229 17.691 -12.408 350 H ASP 50 H ASP 50 -0.708 17.771 -9.732 351 HA ASP 50 HA ASP 50 0.984 20.077 -10.388 352 HB2 ASP 50 1HB ASP 50 1.612 17.709 -8.614 353 HB3 ASP 50 2HB ASP 50 2.580 19.169 -8.792 354 H GLY 51 H GLY 51 0.517 16.685 -11.114 355 HA2 GLY 51 1HA GLY 51 1.355 16.153 -13.433 356 HA3 GLY 51 2HA GLY 51 2.904 16.747 -12.853 357 H GLU 52 H GLU 52 3.747 14.629 -13.457 358 HA GLU 52 HA GLU 52 3.737 12.835 -11.211 359 HB2 GLU 52 1HB GLU 52 2.215 12.197 -13.674 360 HB3 GLU 52 2HB GLU 52 3.223 10.908 -13.030 361 HG2 GLU 52 1HG GLU 52 1.948 11.808 -10.789 362 HG3 GLU 52 2HG GLU 52 0.713 12.017 -12.029 363 H LEU 53 H LEU 53 5.505 11.464 -11.166 364 HA LEU 53 HA LEU 53 7.145 10.871 -13.385 365 HB2 LEU 53 1HB LEU 53 7.550 13.456 -12.406 366 HB3 LEU 53 2HB LEU 53 8.863 12.515 -11.723 367 HG LEU 53 HG LEU 53 8.215 12.649 -14.672 368 HD11 LEU 53 1HD1 LEU 53 10.524 13.960 -13.263 369 HD12 LEU 53 2HD1 LEU 53 9.012 14.798 -13.603 370 HD13 LEU 53 3HD1 LEU 53 9.992 14.176 -14.930 371 HD21 LEU 53 3HD2 LEU 53 9.395 10.713 -14.559 372 HD22 LEU 53 1HD2 LEU 53 10.180 11.147 -13.042 373 HD23 LEU 53 2HD2 LEU 53 10.754 11.835 -14.560 374 H TYR 54 H TYR 54 7.290 11.518 -9.877 375 HA TYR 54 HA TYR 54 8.180 8.777 -9.439 376 HB2 TYR 54 1HB TYR 54 9.806 11.214 -8.857 377 HB3 TYR 54 2HB TYR 54 9.877 9.872 -7.719 378 HD1 TYR 54 HD2 TYR 54 10.331 7.514 -8.808 379 HD2 TYR 54 HD1 TYR 54 11.267 11.233 -10.652 380 HE1 TYR 54 HE2 TYR 54 11.975 6.382 -10.243 381 HE2 TYR 54 HE1 TYR 54 12.912 10.112 -12.090 382 HH TYR 54 HH TYR 54 14.354 7.788 -11.775 383 H ASP 55 H ASP 55 7.531 7.919 -7.493 384 HA ASP 55 HA ASP 55 5.805 9.641 -5.845 385 HB2 ASP 55 1HB ASP 55 5.810 6.663 -6.335 386 HB3 ASP 55 2HB ASP 55 4.887 7.400 -5.031 387 H HIS 56 H HIS 56 6.566 10.255 -3.942 388 HA HIS 56 HA HIS 56 8.792 8.790 -2.746 389 HB2 HIS 56 1HB HIS 56 8.768 10.801 -1.127 390 HB3 HIS 56 2HB HIS 56 9.299 11.073 -2.781 391 HD1 HIS 56 HD1 HIS 56 5.654 10.921 -1.790 392 HD2 HIS 56 HD2 HIS 56 8.521 13.716 -2.902 393 HE1 HIS 56 HE1 HIS 56 4.396 13.067 -2.154 394 HE2 HIS 56 HE2 HIS 56 6.168 14.768 -2.709 395 H ILE 57 H ILE 57 7.964 7.023 -1.739 396 HA ILE 57 HA ILE 57 6.633 7.416 0.767 397 HB ILE 57 HB ILE 57 4.806 5.687 0.147 398 HG12 ILE 57 1HG1 ILE 57 4.605 6.894 -2.519 399 HG13 ILE 57 2HG1 ILE 57 5.998 5.834 -2.330 400 HG21 ILE 57 1HG2 ILE 57 4.146 8.295 -1.083 401 HG22 ILE 57 2HG2 ILE 57 4.719 8.308 0.586 402 HG23 ILE 57 3HG2 ILE 57 3.293 7.368 0.149 403 HD11 ILE 57 3HD1 ILE 57 4.610 3.995 -1.743 404 HD12 ILE 57 1HD1 ILE 57 3.949 4.729 -3.205 405 HD13 ILE 57 2HD1 ILE 57 3.186 5.030 -1.645 406 H ASN 58 H ASN 58 7.426 5.958 2.140 407 HA ASN 58 HA ASN 58 8.931 3.703 1.108 408 HB2 ASN 58 1HB ASN 58 8.686 5.070 3.751 409 HB3 ASN 58 2HB ASN 58 9.214 3.392 3.735 410 HD21 ASN 58 2HD2 ASN 58 10.875 5.279 4.711 411 HD22 ASN 58 1HD2 ASN 58 12.201 5.536 3.633 412 H VAL 59 H VAL 59 8.484 1.542 1.496 413 HA VAL 59 HA VAL 59 5.966 0.889 2.850 414 HB VAL 59 HB VAL 59 5.457 1.107 0.444 415 HG11 VAL 59 1HG1 VAL 59 6.605 0.114 -1.227 416 HG12 VAL 59 2HG1 VAL 59 6.960 -1.328 -0.277 417 HG13 VAL 59 3HG1 VAL 59 7.913 0.138 -0.045 418 HG21 VAL 59 3HG2 VAL 59 4.381 -1.080 0.148 419 HG22 VAL 59 1HG2 VAL 59 4.171 -0.461 1.785 420 HG23 VAL 59 2HG2 VAL 59 5.352 -1.730 1.468 421 H LEU 60 H LEU 60 5.851 -1.221 3.696 422 HA LEU 60 HA LEU 60 8.437 -2.621 3.819 423 HB2 LEU 60 1HB LEU 60 6.837 -1.709 5.863 424 HB3 LEU 60 2HB LEU 60 6.385 -3.398 5.762 425 HG LEU 60 HG LEU 60 8.909 -3.891 5.879 426 HD11 LEU 60 1HD1 LEU 60 9.115 -1.267 7.275 427 HD12 LEU 60 2HD1 LEU 60 9.325 -1.327 5.526 428 HD13 LEU 60 3HD1 LEU 60 10.381 -2.275 6.574 429 HD21 LEU 60 3HD2 LEU 60 7.100 -3.002 8.064 430 HD22 LEU 60 1HD2 LEU 60 8.795 -3.301 8.456 431 HD23 LEU 60 2HD2 LEU 60 7.813 -4.586 7.753 432 H ARG 61 H ARG 61 8.587 -4.422 2.683 433 HA ARG 61 HA ARG 61 6.326 -6.267 2.559 434 HB2 ARG 61 1HB ARG 61 6.494 -4.636 0.500 435 HB3 ARG 61 2HB ARG 61 7.810 -5.695 0.013 436 HG2 ARG 61 1HG ARG 61 5.337 -7.077 0.780 437 HG3 ARG 61 2HG ARG 61 5.213 -6.052 -0.652 438 HD2 ARG 61 1HD ARG 61 6.784 -7.285 -1.829 439 HD3 ARG 61 2HD ARG 61 7.507 -7.951 -0.367 440 HE ARG 61 HE ARG 61 5.314 -9.029 -1.848 441 HH11 ARG 61 1HH1 ARG 61 6.687 -8.785 1.359 442 HH12 ARG 61 2HH1 ARG 61 5.980 -10.261 1.916 443 HH21 ARG 61 1HH2 ARG 61 4.372 -10.977 -1.109 444 HH22 ARG 61 2HH2 ARG 61 4.666 -11.510 0.511 445 H ASN 62 H ASN 62 7.607 -7.547 3.960 446 HA ASN 62 HA ASN 62 9.026 -9.236 4.480 447 HB2 ASN 62 1HB ASN 62 8.611 -9.494 1.633 448 HB3 ASN 62 2HB ASN 62 10.239 -10.002 2.059 449 HD21 ASN 62 2HD2 ASN 62 8.026 -11.613 1.116 450 HD22 ASN 62 1HD2 ASN 62 7.726 -12.795 2.340 451 H GLY 63 H GLY 63 10.019 -6.338 3.922 452 HA2 GLY 63 1HA GLY 63 12.054 -5.431 4.663 453 HA3 GLY 63 2HA GLY 63 12.823 -6.989 4.405 454 H GLU 64 H GLU 64 10.822 -5.651 1.902 455 HA GLU 64 HA GLU 64 13.232 -5.105 0.305 456 HB2 GLU 64 1HB GLU 64 11.312 -6.893 -0.269 457 HB3 GLU 64 2HB GLU 64 10.603 -5.465 -1.008 458 HG2 GLU 64 1HG GLU 64 11.836 -5.856 -2.799 459 HG3 GLU 64 2HG GLU 64 13.264 -5.473 -1.842 460 H ALA 65 H ALA 65 12.981 -3.413 -1.365 461 HA ALA 65 HA ALA 65 11.503 -1.133 -0.267 462 HB1 ALA 65 3HB ALA 65 13.152 0.235 -0.979 463 HB2 ALA 65 1HB ALA 65 13.423 -0.678 -2.463 464 HB3 ALA 65 2HB ALA 65 14.101 -1.250 -0.938 465 H ALA 66 H ALA 66 9.494 -1.115 -1.091 466 HA ALA 66 HA ALA 66 7.772 -0.913 -2.553 467 HB1 ALA 66 3HB ALA 66 10.054 0.300 -3.984 468 HB2 ALA 66 1HB ALA 66 8.498 0.991 -3.525 469 HB3 ALA 66 2HB ALA 66 8.614 -0.062 -4.937 470 H ALA 67 H ALA 67 6.808 -2.761 -3.057 471 HA ALA 67 HA ALA 67 8.107 -4.610 -4.943 472 HB1 ALA 67 3HB ALA 67 6.059 -6.062 -4.033 473 HB2 ALA 67 1HB ALA 67 6.242 -4.964 -2.665 474 HB3 ALA 67 2HB ALA 67 7.601 -5.963 -3.184 475 H LEU 68 H LEU 68 6.962 -5.440 -6.725 476 HA LEU 68 HA LEU 68 4.373 -4.222 -7.342 477 HB2 LEU 68 1HB LEU 68 6.270 -2.903 -8.392 478 HB3 LEU 68 2HB LEU 68 6.583 -4.314 -9.383 479 HG LEU 68 HG LEU 68 3.917 -2.907 -9.345 480 HD11 LEU 68 1HD1 LEU 68 5.752 -1.389 -10.057 481 HD12 LEU 68 2HD1 LEU 68 4.556 -1.718 -11.310 482 HD13 LEU 68 3HD1 LEU 68 6.123 -2.528 -11.353 483 HD21 LEU 68 3HD2 LEU 68 4.149 -4.054 -11.771 484 HD22 LEU 68 1HD2 LEU 68 3.394 -4.837 -10.382 485 HD23 LEU 68 2HD2 LEU 68 5.072 -5.197 -10.795 486 H GLY 69 H GLY 69 6.772 -6.269 -9.028 487 HA2 GLY 69 1HA GLY 69 4.703 -7.987 -10.044 488 HA3 GLY 69 2HA GLY 69 6.433 -8.191 -10.268 489 H GLU 70 H GLU 70 4.301 -8.156 -7.393 490 HA GLU 70 HA GLU 70 5.358 -10.818 -6.722 491 HB2 GLU 70 1HB GLU 70 5.458 -8.355 -5.195 492 HB3 GLU 70 2HB GLU 70 4.654 -9.638 -4.298 493 HG2 GLU 70 1HG GLU 70 6.998 -9.640 -3.789 494 HG3 GLU 70 2HG GLU 70 6.591 -11.096 -4.696 495 H ALA 71 H ALA 71 2.835 -9.929 -8.075 496 HA ALA 71 HA ALA 71 0.606 -10.167 -6.407 497 HB1 ALA 71 3HB ALA 71 -0.641 -10.246 -8.319 498 HB2 ALA 71 1HB ALA 71 0.475 -11.340 -9.134 499 HB3 ALA 71 2HB ALA 71 0.868 -9.627 -8.987 500 H THR 72 H THR 72 2.749 -12.616 -7.711 501 HA THR 72 HA THR 72 0.988 -14.790 -6.902 502 HB THR 72 HB THR 72 3.257 -16.044 -7.677 503 HG1 THR 72 HG1 THR 72 3.206 -13.871 -9.457 504 HG21 THR 72 3HG2 THR 72 0.769 -15.844 -8.701 505 HG22 THR 72 1HG2 THR 72 2.092 -16.735 -9.452 506 HG23 THR 72 2HG2 THR 72 1.718 -15.097 -9.984 507 H ALA 73 H ALA 73 3.038 -12.846 -5.237 508 HA ALA 73 HA ALA 73 4.564 -14.740 -3.748 509 HB1 ALA 73 3HB ALA 73 5.058 -12.261 -4.084 510 HB2 ALA 73 1HB ALA 73 5.306 -12.918 -2.465 511 HB3 ALA 73 2HB ALA 73 3.861 -11.971 -2.821 512 H ALA 74 H ALA 74 4.348 -14.608 -1.224 513 HA ALA 74 HA ALA 74 1.677 -15.577 -0.600 514 HB1 ALA 74 3HB ALA 74 2.634 -16.800 1.046 515 HB2 ALA 74 1HB ALA 74 3.746 -15.512 1.508 516 HB3 ALA 74 2HB ALA 74 4.095 -16.515 0.101 517 H GLY 75 H GLY 75 1.336 -12.989 -1.051 518 HA2 GLY 75 1HA GLY 75 -0.083 -11.789 0.740 519 HA3 GLY 75 2HA GLY 75 1.468 -11.609 1.544 520 H ASP 76 H ASP 76 -0.087 -9.421 0.899 521 HA ASP 76 HA ASP 76 0.915 -8.258 -1.557 522 HB2 ASP 76 1HB ASP 76 -0.917 -7.240 0.613 523 HB3 ASP 76 2HB ASP 76 -0.373 -6.221 -0.712 524 H GLU 77 H GLU 77 0.891 -7.056 1.791 525 HA GLU 77 HA GLU 77 3.714 -6.619 1.858 526 HB2 GLU 77 1HB GLU 77 3.394 -4.071 2.231 527 HB3 GLU 77 2HB GLU 77 3.443 -4.687 0.587 528 HG2 GLU 77 1HG GLU 77 0.744 -4.729 1.467 529 HG3 GLU 77 2HG GLU 77 1.428 -3.151 1.849 530 H LEU 78 H LEU 78 4.007 -4.804 3.848 531 HA LEU 78 HA LEU 78 2.451 -6.007 6.043 532 HB2 LEU 78 1HB LEU 78 5.263 -5.065 5.792 533 HB3 LEU 78 2HB LEU 78 4.488 -4.918 7.355 534 HG LEU 78 HG LEU 78 5.838 -6.970 7.153 535 HD11 LEU 78 1HD1 LEU 78 4.332 -7.418 8.758 536 HD12 LEU 78 2HD1 LEU 78 3.698 -8.545 7.561 537 HD13 LEU 78 3HD1 LEU 78 2.957 -6.959 7.755 538 HD21 LEU 78 3HD2 LEU 78 5.550 -8.579 5.568 539 HD22 LEU 78 1HD2 LEU 78 5.080 -7.166 4.622 540 HD23 LEU 78 2HD2 LEU 78 3.843 -8.203 5.332 541 H ALA 79 H ALA 79 4.006 -2.936 5.097 542 HA ALA 79 HA ALA 79 1.716 -1.412 5.969 543 HB1 ALA 79 3HB ALA 79 2.840 -1.704 8.097 544 HB2 ALA 79 1HB ALA 79 2.993 -0.027 7.575 545 HB3 ALA 79 2HB ALA 79 4.359 -1.130 7.407 546 H LEU 80 H LEU 80 2.186 1.030 5.663 547 HA LEU 80 HA LEU 80 4.290 1.592 3.727 548 HB2 LEU 80 1HB LEU 80 2.084 0.788 2.594 549 HB3 LEU 80 2HB LEU 80 1.491 2.387 2.998 550 HG LEU 80 HG LEU 80 4.089 2.371 1.618 551 HD11 LEU 80 1HD1 LEU 80 3.552 1.342 -0.291 552 HD12 LEU 80 2HD1 LEU 80 1.914 1.991 -0.289 553 HD13 LEU 80 3HD1 LEU 80 2.291 0.548 0.649 554 HD21 LEU 80 3HD2 LEU 80 1.712 3.814 0.612 555 HD22 LEU 80 1HD2 LEU 80 3.372 4.369 0.824 556 HD23 LEU 80 2HD2 LEU 80 2.294 4.257 2.216 557 H PHE 81 H PHE 81 5.269 3.306 4.573 558 HA PHE 81 HA PHE 81 3.616 5.556 5.518 559 HB2 PHE 81 1HB PHE 81 6.202 4.722 6.839 560 HB3 PHE 81 2HB PHE 81 5.064 5.941 7.391 561 HD1 PHE 81 HD1 PHE 81 2.503 4.711 7.372 562 HD2 PHE 81 HD2 PHE 81 6.272 2.962 8.299 563 HE1 PHE 81 HE1 PHE 81 1.375 3.019 8.751 564 HE2 PHE 81 HE2 PHE 81 5.149 1.265 9.679 565 HZ PHE 81 HZ PHE 81 2.697 1.291 9.908 566 HA PRO 82 HA PRO 82 6.160 7.849 2.686 567 HB2 PRO 82 1HB PRO 82 5.512 10.357 3.481 568 HB3 PRO 82 2HB PRO 82 4.410 9.335 2.553 569 HG2 PRO 82 1HG PRO 82 4.470 9.869 5.498 570 HG3 PRO 82 2HG PRO 82 3.077 9.794 4.403 571 HD2 PRO 82 1HD PRO 82 3.785 7.736 6.023 572 HD3 PRO 82 2HD PRO 82 3.006 7.493 4.447 573 HA PRO 83 HA PRO 83 9.868 8.717 4.990 574 HB2 PRO 83 1HB PRO 83 11.279 10.021 3.085 575 HB3 PRO 83 2HB PRO 83 10.991 8.278 3.029 576 HG2 PRO 83 1HG PRO 83 9.576 10.482 1.578 577 HG3 PRO 83 2HG PRO 83 10.108 8.904 0.970 578 HD2 PRO 83 1HD PRO 83 7.539 9.422 1.691 579 HD3 PRO 83 2HD PRO 83 8.277 7.815 1.834 580 H VAL 84 H VAL 84 10.527 10.291 6.358 581 HA VAL 84 HA VAL 84 9.336 12.939 6.069 582 HB VAL 84 HB VAL 84 10.325 13.223 8.429 583 HG11 VAL 84 1HG1 VAL 84 7.905 12.760 7.684 584 HG12 VAL 84 2HG1 VAL 84 8.334 12.503 9.376 585 HG13 VAL 84 3HG1 VAL 84 8.200 11.127 8.281 586 HG21 VAL 84 3HG2 VAL 84 11.094 11.437 9.619 587 HG22 VAL 84 1HG2 VAL 84 11.650 10.971 8.011 588 HG23 VAL 84 2HG2 VAL 84 10.172 10.269 8.670 589 H SER 85 H SER 85 11.476 12.314 4.308 590 HA SER 85 HA SER 85 13.551 14.158 5.295 591 HB2 SER 85 1HB SER 85 14.170 11.650 4.896 592 HB3 SER 85 2HB SER 85 14.122 12.091 3.189 593 HG SER 85 HG SER 85 16.210 12.367 3.990 594 H GLY 86 H GLY 86 12.752 16.012 4.398 595 HA2 GLY 86 1HA GLY 86 13.423 16.842 1.914 596 HA3 GLY 86 2HA GLY 86 11.862 16.080 1.646 597 H GLY 87 H GLY 87 10.347 16.791 3.726 598 HA2 GLY 87 1HA GLY 87 10.124 18.988 5.052 599 HA3 GLY 87 2HA GLY 87 10.238 19.723 3.462 Start of MODEL 15 1 H1 MET 1 1H MET 1 2.586 -8.369 3.194 2 H2 MET 1 2H MET 1 2.369 -10.049 2.929 3 H3 MET 1 3H MET 1 1.594 -9.280 4.253 4 HA MET 1 HA MET 1 1.099 -8.470 1.480 5 HB2 MET 1 1HB MET 1 -0.926 -9.970 1.635 6 HB3 MET 1 2HB MET 1 0.610 -10.808 1.485 7 HG2 MET 1 1HG MET 1 0.606 -11.327 3.841 8 HG3 MET 1 2HG MET 1 -0.859 -10.377 4.077 9 HE1 MET 1 3HE MET 1 -0.574 -14.723 3.085 10 HE2 MET 1 1HE MET 1 0.018 -13.804 4.469 11 HE3 MET 1 2HE MET 1 0.769 -13.597 2.887 12 H GLU 2 H GLU 2 1.335 -6.550 3.221 13 HA GLU 2 HA GLU 2 -1.420 -5.802 3.872 14 HB2 GLU 2 1HB GLU 2 0.819 -5.267 5.813 15 HB3 GLU 2 2HB GLU 2 -0.911 -5.092 6.073 16 HG2 GLU 2 1HG GLU 2 -1.045 -7.614 5.736 17 HG3 GLU 2 2HG GLU 2 0.710 -7.610 5.917 18 H TRP 3 H TRP 3 -1.406 -3.406 4.669 19 HA TRP 3 HA TRP 3 0.625 -1.733 3.495 20 HB2 TRP 3 1HB TRP 3 -1.249 -2.437 1.713 21 HB3 TRP 3 2HB TRP 3 -2.126 -1.133 2.502 22 HD1 TRP 3 HD TRP 3 1.224 0.036 2.743 23 HE1 TRP 3 HE1 TRP 3 1.889 1.563 0.788 24 HE3 TRP 3 HE3 TRP 3 -2.550 -1.105 -0.515 25 HZ2 TRP 3 HZ2 TRP 3 0.950 2.213 -1.781 26 HZ3 TRP 3 HZ3 TRP 3 -2.589 0.022 -2.702 27 HH2 TRP 3 HH TRP 3 -0.875 1.647 -3.319 28 H LYS 4 H LYS 4 0.916 -0.189 4.972 29 HA LYS 4 HA LYS 4 -1.341 0.585 6.688 30 HB2 LYS 4 1HB LYS 4 1.641 0.876 7.055 31 HB3 LYS 4 2HB LYS 4 0.463 1.624 8.122 32 HG2 LYS 4 1HG LYS 4 -0.445 -0.657 8.588 33 HG3 LYS 4 2HG LYS 4 0.910 -1.317 7.672 34 HD2 LYS 4 1HD LYS 4 2.153 -1.230 9.515 35 HD3 LYS 4 2HD LYS 4 2.001 0.529 9.499 36 HE2 LYS 4 1HE LYS 4 1.208 -0.020 11.601 37 HE3 LYS 4 2HE LYS 4 -0.274 0.099 10.656 38 HZ1 LYS 4 3HZ LYS 4 0.294 -2.478 10.338 39 HZ2 LYS 4 1HZ LYS 4 -0.663 -1.892 11.606 40 HZ3 LYS 4 2HZ LYS 4 0.971 -2.233 11.869 41 H LEU 5 H LEU 5 -1.912 2.758 6.964 42 HA LEU 5 HA LEU 5 -0.573 4.682 5.186 43 HB2 LEU 5 1HB LEU 5 -2.786 3.550 4.326 44 HB3 LEU 5 2HB LEU 5 -3.555 4.705 5.399 45 HG LEU 5 HG LEU 5 -1.590 6.007 3.712 46 HD11 LEU 5 1HD1 LEU 5 -2.350 5.579 1.587 47 HD12 LEU 5 2HD1 LEU 5 -3.897 4.944 2.148 48 HD13 LEU 5 3HD1 LEU 5 -2.433 3.972 2.312 49 HD21 LEU 5 3HD2 LEU 5 -3.046 7.559 4.378 50 HD22 LEU 5 1HD2 LEU 5 -4.305 6.369 4.708 51 HD23 LEU 5 2HD2 LEU 5 -4.072 6.974 3.069 52 H PHE 6 H PHE 6 -0.369 6.725 5.980 53 HA PHE 6 HA PHE 6 -1.251 7.157 8.732 54 HB2 PHE 6 1HB PHE 6 0.982 8.040 7.124 55 HB3 PHE 6 2HB PHE 6 0.164 9.424 7.836 56 HD1 PHE 6 HD2 PHE 6 -0.683 8.493 10.431 57 HD2 PHE 6 HD1 PHE 6 2.912 7.658 8.313 58 HE1 PHE 6 HE2 PHE 6 0.472 8.074 12.562 59 HE2 PHE 6 HE1 PHE 6 4.072 7.237 10.440 60 HZ PHE 6 HZ PHE 6 2.853 7.446 12.569 61 H ALA 7 H ALA 7 -2.115 9.335 9.331 62 HA ALA 7 HA ALA 7 -4.504 9.907 8.047 63 HB1 ALA 7 3HB ALA 7 -4.016 10.608 10.339 64 HB2 ALA 7 1HB ALA 7 -4.604 11.947 9.351 65 HB3 ALA 7 2HB ALA 7 -2.883 11.814 9.724 66 H ASP 8 H ASP 8 -1.298 11.113 7.356 67 HA ASP 8 HA ASP 8 -1.758 13.414 5.935 68 HB2 ASP 8 1HB ASP 8 0.453 12.093 6.399 69 HB3 ASP 8 2HB ASP 8 0.128 11.355 4.834 70 H LEU 9 H LEU 9 -2.228 10.085 4.889 71 HA LEU 9 HA LEU 9 -3.551 11.070 2.444 72 HB2 LEU 9 1HB LEU 9 -2.185 8.404 2.829 73 HB3 LEU 9 2HB LEU 9 -2.908 8.999 1.348 74 HG LEU 9 HG LEU 9 -1.135 10.946 1.674 75 HD11 LEU 9 1HD1 LEU 9 0.623 8.796 2.659 76 HD12 LEU 9 2HD1 LEU 9 -0.461 9.511 3.852 77 HD13 LEU 9 3HD1 LEU 9 0.666 10.534 2.961 78 HD21 LEU 9 3HD2 LEU 9 0.090 8.435 0.698 79 HD22 LEU 9 1HD2 LEU 9 -0.028 10.019 -0.072 80 HD23 LEU 9 2HD2 LEU 9 -1.421 8.937 -0.061 81 H ALA 10 H ALA 10 -4.163 9.708 5.426 82 HA ALA 10 HA ALA 10 -6.317 7.970 4.497 83 HB1 ALA 10 3HB ALA 10 -5.842 8.481 7.391 84 HB2 ALA 10 1HB ALA 10 -4.670 7.517 6.494 85 HB3 ALA 10 2HB ALA 10 -6.354 7.004 6.577 86 H GLU 11 H GLU 11 -5.933 11.214 5.270 87 HA GLU 11 HA GLU 11 -8.202 11.893 6.717 88 HB2 GLU 11 1HB GLU 11 -6.160 13.276 5.497 89 HB3 GLU 11 2HB GLU 11 -7.562 13.774 4.559 90 HG2 GLU 11 1HG GLU 11 -8.633 14.684 6.440 91 HG3 GLU 11 2HG GLU 11 -7.538 13.872 7.557 92 H VAL 12 H VAL 12 -7.821 11.480 3.199 93 HA VAL 12 HA VAL 12 -10.695 11.884 2.827 94 HB VAL 12 HB VAL 12 -8.668 11.316 0.672 95 HG11 VAL 12 1HG1 VAL 12 -10.998 10.969 0.046 96 HG12 VAL 12 2HG1 VAL 12 -10.321 12.368 -0.786 97 HG13 VAL 12 3HG1 VAL 12 -11.395 12.598 0.592 98 HG21 VAL 12 3HG2 VAL 12 -8.796 13.836 0.310 99 HG22 VAL 12 1HG2 VAL 12 -7.837 13.273 1.678 100 HG23 VAL 12 2HG2 VAL 12 -9.454 13.923 1.944 101 H ALA 13 H ALA 13 -8.281 9.356 2.786 102 HA ALA 13 HA ALA 13 -9.843 7.388 1.461 103 HB1 ALA 13 3HB ALA 13 -8.036 6.067 1.676 104 HB2 ALA 13 1HB ALA 13 -7.852 6.422 3.393 105 HB3 ALA 13 2HB ALA 13 -7.236 7.553 2.190 106 H GLY 14 H GLY 14 -9.336 8.189 4.889 107 HA2 GLY 14 1HA GLY 14 -10.869 7.833 6.621 108 HA3 GLY 14 2HA GLY 14 -11.830 6.834 5.544 109 H SER 15 H SER 15 -8.869 5.632 5.062 110 HA SER 15 HA SER 15 -8.893 3.877 7.414 111 HB2 SER 15 1HB SER 15 -9.822 3.053 4.970 112 HB3 SER 15 2HB SER 15 -8.131 2.559 4.896 113 HG SER 15 HG SER 15 -8.472 1.120 6.418 114 H ARG 16 H ARG 16 -6.889 2.910 7.925 115 HA ARG 16 HA ARG 16 -4.572 4.298 6.802 116 HB2 ARG 16 1HB ARG 16 -3.652 3.276 9.158 117 HB3 ARG 16 2HB ARG 16 -4.274 4.905 8.955 118 HG2 ARG 16 1HG ARG 16 -6.456 4.200 9.746 119 HG3 ARG 16 2HG ARG 16 -5.885 2.537 9.888 120 HD2 ARG 16 1HD ARG 16 -4.199 4.471 11.283 121 HD3 ARG 16 2HD ARG 16 -5.857 4.428 11.883 122 HE ARG 16 HE ARG 16 -5.059 1.799 11.702 123 HH11 ARG 16 1HH1 ARG 16 -3.968 4.650 13.416 124 HH12 ARG 16 2HH1 ARG 16 -3.339 3.753 14.756 125 HH21 ARG 16 1HH2 ARG 16 -4.229 0.622 13.472 126 HH22 ARG 16 2HH2 ARG 16 -3.488 1.468 14.788 127 H THR 17 H THR 17 -4.871 1.319 8.743 128 HA THR 17 HA THR 17 -3.093 0.000 6.840 129 HB THR 17 HB THR 17 -2.470 -1.463 8.529 130 HG1 THR 17 HG1 THR 17 -3.789 -2.222 10.004 131 HG21 THR 17 3HG2 THR 17 -3.270 1.006 10.046 132 HG22 THR 17 1HG2 THR 17 -1.745 0.745 9.199 133 HG23 THR 17 2HG2 THR 17 -2.151 -0.235 10.608 134 H VAL 18 H VAL 18 -3.632 -1.724 5.630 135 HA VAL 18 HA VAL 18 -6.201 -3.061 6.030 136 HB VAL 18 HB VAL 18 -5.444 -2.080 3.284 137 HG11 VAL 18 1HG1 VAL 18 -8.116 -2.352 3.263 138 HG12 VAL 18 2HG1 VAL 18 -7.700 -3.565 4.474 139 HG13 VAL 18 3HG1 VAL 18 -7.002 -3.657 2.856 140 HG21 VAL 18 3HG2 VAL 18 -7.157 -0.316 3.560 141 HG22 VAL 18 1HG2 VAL 18 -5.756 -0.091 4.606 142 HG23 VAL 18 2HG2 VAL 18 -7.261 -0.725 5.272 143 H ARG 19 H ARG 19 -5.851 -5.195 5.961 144 HA ARG 19 HA ARG 19 -3.481 -6.197 4.548 145 HB2 ARG 19 1HB ARG 19 -3.886 -8.290 5.868 146 HB3 ARG 19 2HB ARG 19 -3.525 -6.872 6.841 147 HG2 ARG 19 1HG ARG 19 -6.359 -7.088 6.486 148 HG3 ARG 19 2HG ARG 19 -5.710 -8.620 7.075 149 HD2 ARG 19 1HD ARG 19 -4.863 -6.045 8.338 150 HD3 ARG 19 2HD ARG 19 -6.411 -6.771 8.768 151 HE ARG 19 HE ARG 19 -4.689 -8.823 9.069 152 HH11 ARG 19 1HH1 ARG 19 -4.673 -5.534 10.265 153 HH12 ARG 19 2HH1 ARG 19 -3.800 -5.930 11.705 154 HH21 ARG 19 1HH2 ARG 19 -3.537 -9.339 10.974 155 HH22 ARG 19 2HH2 ARG 19 -3.154 -8.089 12.108 156 H VAL 20 H VAL 20 -3.612 -8.031 3.158 157 HA VAL 20 HA VAL 20 -6.311 -8.490 2.059 158 HB VAL 20 HB VAL 20 -4.904 -7.234 0.487 159 HG11 VAL 20 1HG1 VAL 20 -3.110 -9.645 0.344 160 HG12 VAL 20 2HG1 VAL 20 -2.736 -8.217 1.308 161 HG13 VAL 20 3HG1 VAL 20 -2.894 -8.083 -0.442 162 HG21 VAL 20 3HG2 VAL 20 -5.559 -10.069 -0.298 163 HG22 VAL 20 1HG2 VAL 20 -5.114 -8.813 -1.451 164 HG23 VAL 20 2HG2 VAL 20 -6.574 -8.639 -0.479 165 H ASP 21 H ASP 21 -7.049 -10.478 2.299 166 HA ASP 21 HA ASP 21 -5.130 -12.682 2.627 167 HB2 ASP 21 1HB ASP 21 -7.327 -13.755 3.668 168 HB3 ASP 21 2HB ASP 21 -6.245 -12.756 4.628 169 H VAL 22 H VAL 22 -8.053 -11.617 0.993 170 HA VAL 22 HA VAL 22 -8.394 -14.145 -0.377 171 HB VAL 22 HB VAL 22 -10.219 -12.838 -1.590 172 HG11 VAL 22 1HG1 VAL 22 -10.942 -14.362 0.020 173 HG12 VAL 22 2HG1 VAL 22 -11.691 -12.843 0.511 174 HG13 VAL 22 3HG1 VAL 22 -10.250 -13.426 1.345 175 HG21 VAL 22 3HG2 VAL 22 -10.936 -10.762 -0.805 176 HG22 VAL 22 1HG2 VAL 22 -9.181 -10.607 -0.892 177 HG23 VAL 22 2HG2 VAL 22 -9.966 -10.885 0.663 178 H ASP 23 H ASP 23 -7.766 -14.595 -2.428 179 HA ASP 23 HA ASP 23 -6.473 -12.428 -3.952 180 HB2 ASP 23 1HB ASP 23 -5.800 -15.379 -4.008 181 HB3 ASP 23 2HB ASP 23 -4.996 -14.118 -4.934 182 H GLY 24 H GLY 24 -7.116 -12.068 -6.007 183 HA2 GLY 24 1HA GLY 24 -8.563 -14.096 -7.491 184 HA3 GLY 24 2HA GLY 24 -9.526 -12.704 -7.026 185 H ASP 25 H ASP 25 -9.532 -10.984 -8.355 186 HA ASP 25 HA ASP 25 -7.660 -11.013 -10.613 187 HB2 ASP 25 1HB ASP 25 -10.416 -10.586 -10.453 188 HB3 ASP 25 2HB ASP 25 -9.740 -8.992 -10.769 189 H ALA 26 H ALA 26 -6.994 -10.030 -7.874 190 HA ALA 26 HA ALA 26 -6.269 -7.264 -8.589 191 HB1 ALA 26 3HB ALA 26 -6.686 -6.522 -6.464 192 HB2 ALA 26 1HB ALA 26 -6.381 -8.097 -5.731 193 HB3 ALA 26 2HB ALA 26 -7.900 -7.795 -6.575 194 H THR 27 H THR 27 -4.151 -6.624 -8.268 195 HA THR 27 HA THR 27 -2.285 -8.743 -7.422 196 HB THR 27 HB THR 27 -1.112 -6.672 -9.110 197 HG1 THR 27 HG1 THR 27 -2.185 -7.132 -10.956 198 HG21 THR 27 3HG2 THR 27 -1.192 -9.661 -9.115 199 HG22 THR 27 1HG2 THR 27 0.173 -8.587 -8.815 200 HG23 THR 27 2HG2 THR 27 -0.483 -8.745 -10.444 201 H VAL 28 H VAL 28 -0.009 -7.639 -6.931 202 HA VAL 28 HA VAL 28 -0.482 -5.959 -4.648 203 HB VAL 28 HB VAL 28 2.171 -6.822 -5.822 204 HG11 VAL 28 1HG1 VAL 28 2.760 -6.537 -3.290 205 HG12 VAL 28 2HG1 VAL 28 1.358 -5.465 -3.293 206 HG13 VAL 28 3HG1 VAL 28 2.723 -5.137 -4.361 207 HG21 VAL 28 3HG2 VAL 28 1.085 -8.837 -5.331 208 HG22 VAL 28 1HG2 VAL 28 0.332 -8.182 -3.877 209 HG23 VAL 28 2HG2 VAL 28 2.063 -8.507 -3.901 210 H GLY 29 H GLY 29 1.314 -5.652 -7.708 211 HA2 GLY 29 1HA GLY 29 1.827 -2.866 -7.260 212 HA3 GLY 29 2HA GLY 29 2.205 -3.766 -8.717 213 H ASP 30 H ASP 30 -0.646 -4.744 -8.813 214 HA ASP 30 HA ASP 30 -1.671 -2.862 -10.615 215 HB2 ASP 30 1HB ASP 30 -2.409 -5.122 -10.765 216 HB3 ASP 30 2HB ASP 30 -2.962 -5.128 -9.095 217 H ALA 31 H ALA 31 -2.294 -3.353 -7.165 218 HA ALA 31 HA ALA 31 -4.229 -1.188 -7.094 219 HB1 ALA 31 3HB ALA 31 -3.948 -1.794 -4.514 220 HB2 ALA 31 1HB ALA 31 -3.342 -3.297 -5.208 221 HB3 ALA 31 2HB ALA 31 -4.968 -2.736 -5.600 222 H LEU 32 H LEU 32 -0.889 -1.820 -6.209 223 HA LEU 32 HA LEU 32 -0.433 0.415 -4.581 224 HB2 LEU 32 1HB LEU 32 1.070 -1.679 -5.321 225 HB3 LEU 32 2HB LEU 32 1.737 -0.469 -6.398 226 HG LEU 32 HG LEU 32 1.673 0.773 -3.895 227 HD11 LEU 32 1HD1 LEU 32 1.288 -1.604 -3.052 228 HD12 LEU 32 2HD1 LEU 32 2.619 -0.697 -2.336 229 HD13 LEU 32 3HD1 LEU 32 2.946 -1.924 -3.561 230 HD21 LEU 32 3HD2 LEU 32 4.165 0.471 -4.052 231 HD22 LEU 32 1HD2 LEU 32 3.400 1.174 -5.478 232 HD23 LEU 32 2HD2 LEU 32 3.879 -0.522 -5.481 233 H ASP 33 H ASP 33 0.296 0.001 -8.054 234 HA ASP 33 HA ASP 33 1.031 2.662 -8.541 235 HB2 ASP 33 1HB ASP 33 1.517 0.781 -10.067 236 HB3 ASP 33 2HB ASP 33 -0.188 0.705 -10.498 237 H ALA 34 H ALA 34 -2.120 1.105 -8.512 238 HA ALA 34 HA ALA 34 -3.513 3.280 -9.728 239 HB1 ALA 34 3HB ALA 34 -5.508 2.105 -9.218 240 HB2 ALA 34 1HB ALA 34 -4.714 1.162 -7.958 241 HB3 ALA 34 2HB ALA 34 -4.305 0.893 -9.654 242 H LEU 35 H LEU 35 -3.280 2.131 -6.360 243 HA LEU 35 HA LEU 35 -4.783 4.205 -5.210 244 HB2 LEU 35 1HB LEU 35 -2.896 2.142 -4.232 245 HB3 LEU 35 2HB LEU 35 -3.161 3.517 -3.178 246 HG LEU 35 HG LEU 35 -5.608 3.052 -3.255 247 HD11 LEU 35 1HD1 LEU 35 -5.607 1.849 -5.417 248 HD12 LEU 35 2HD1 LEU 35 -6.420 0.959 -4.129 249 HD13 LEU 35 3HD1 LEU 35 -4.794 0.496 -4.631 250 HD21 LEU 35 3HD2 LEU 35 -3.726 1.955 -1.673 251 HD22 LEU 35 1HD2 LEU 35 -4.456 0.495 -2.343 252 HD23 LEU 35 2HD2 LEU 35 -5.455 1.669 -1.481 253 H VAL 36 H VAL 36 -1.445 4.079 -6.234 254 HA VAL 36 HA VAL 36 -0.838 6.577 -4.844 255 HB VAL 36 HB VAL 36 0.977 4.907 -6.591 256 HG11 VAL 36 1HG1 VAL 36 2.070 6.692 -4.516 257 HG12 VAL 36 2HG1 VAL 36 1.315 7.495 -5.893 258 HG13 VAL 36 3HG1 VAL 36 2.643 6.364 -6.151 259 HG21 VAL 36 3HG2 VAL 36 1.407 4.954 -3.679 260 HG22 VAL 36 1HG2 VAL 36 1.544 3.623 -4.828 261 HG23 VAL 36 2HG2 VAL 36 -0.039 4.095 -4.213 262 H GLY 37 H GLY 37 -1.111 5.292 -8.150 263 HA2 GLY 37 1HA GLY 37 -0.267 7.575 -9.535 264 HA3 GLY 37 2HA GLY 37 -1.364 6.361 -10.165 265 H ALA 38 H ALA 38 -3.441 6.774 -8.228 266 HA ALA 38 HA ALA 38 -4.492 9.325 -9.245 267 HB1 ALA 38 3HB ALA 38 -5.871 6.848 -8.236 268 HB2 ALA 38 1HB ALA 38 -5.898 7.526 -9.864 269 HB3 ALA 38 2HB ALA 38 -6.720 8.362 -8.548 270 H HIS 39 H HIS 39 -3.621 7.669 -6.321 271 HA HIS 39 HA HIS 39 -3.501 8.285 -4.158 272 HB2 HIS 39 1HB HIS 39 -4.133 11.112 -4.988 273 HB3 HIS 39 2HB HIS 39 -3.221 10.570 -3.589 274 HD1 HIS 39 HD1 HIS 39 -2.908 11.127 -7.280 275 HD2 HIS 39 HD2 HIS 39 -0.519 10.115 -4.036 276 HE1 HIS 39 HE1 HIS 39 -0.541 11.348 -8.095 277 HE2 HIS 39 HE2 HIS 39 0.874 10.535 -6.175 278 HA PRO 40 HA PRO 40 -8.334 8.662 -4.398 279 HB2 PRO 40 1HB PRO 40 -7.998 5.916 -3.286 280 HB3 PRO 40 2HB PRO 40 -9.220 6.536 -4.403 281 HG2 PRO 40 1HG PRO 40 -7.236 5.008 -5.290 282 HG3 PRO 40 2HG PRO 40 -7.809 6.395 -6.235 283 HD2 PRO 40 1HD PRO 40 -5.338 6.121 -4.581 284 HD3 PRO 40 2HD PRO 40 -5.584 6.979 -6.114 285 H ALA 41 H ALA 41 -5.937 7.401 -2.148 286 HA ALA 41 HA ALA 41 -7.369 7.529 0.229 287 HB1 ALA 41 3HB ALA 41 -5.386 7.151 1.283 288 HB2 ALA 41 1HB ALA 41 -4.508 8.309 0.285 289 HB3 ALA 41 2HB ALA 41 -4.912 6.717 -0.359 290 H LEU 42 H LEU 42 -5.850 10.098 -1.626 291 HA LEU 42 HA LEU 42 -6.872 12.014 0.365 292 HB2 LEU 42 1HB LEU 42 -5.025 13.538 -0.660 293 HB3 LEU 42 2HB LEU 42 -4.633 12.376 0.592 294 HG LEU 42 HG LEU 42 -4.316 11.560 -2.266 295 HD11 LEU 42 1HD1 LEU 42 -2.012 12.460 -2.226 296 HD12 LEU 42 2HD1 LEU 42 -2.407 13.320 -0.738 297 HD13 LEU 42 3HD1 LEU 42 -3.249 13.716 -2.238 298 HD21 LEU 42 3HD2 LEU 42 -3.896 10.288 0.097 299 HD22 LEU 42 1HD2 LEU 42 -2.293 10.945 -0.228 300 HD23 LEU 42 2HD2 LEU 42 -3.071 9.894 -1.411 301 H GLU 43 H GLU 43 -7.350 10.849 -2.705 302 HA GLU 43 HA GLU 43 -7.889 13.334 -4.051 303 HB2 GLU 43 1HB GLU 43 -7.293 10.880 -4.961 304 HB3 GLU 43 2HB GLU 43 -9.045 10.799 -5.070 305 HG2 GLU 43 1HG GLU 43 -7.624 13.161 -6.202 306 HG3 GLU 43 2HG GLU 43 -7.613 11.634 -7.084 307 H SER 44 H SER 44 -9.385 14.381 -2.698 308 HA SER 44 HA SER 44 -11.996 13.102 -2.355 309 HB2 SER 44 1HB SER 44 -10.586 14.463 -0.539 310 HB3 SER 44 2HB SER 44 -11.447 15.819 -1.262 311 HG SER 44 HG SER 44 -13.376 14.355 -0.926 312 H ARG 45 H ARG 45 -10.665 16.227 -3.434 313 HA ARG 45 HA ARG 45 -12.245 16.393 -5.745 314 HB2 ARG 45 1HB ARG 45 -13.808 18.184 -5.086 315 HB3 ARG 45 2HB ARG 45 -14.123 16.686 -4.227 316 HG2 ARG 45 1HG ARG 45 -12.333 18.147 -2.628 317 HG3 ARG 45 2HG ARG 45 -13.555 19.291 -3.186 318 HD2 ARG 45 1HD ARG 45 -15.119 17.198 -2.509 319 HD3 ARG 45 2HD ARG 45 -13.795 16.987 -1.363 320 HE ARG 45 HE ARG 45 -14.817 19.675 -1.488 321 HH11 ARG 45 1HH1 ARG 45 -15.195 16.537 0.025 322 HH12 ARG 45 2HH1 ARG 45 -15.971 17.176 1.434 323 HH21 ARG 45 1HH2 ARG 45 -15.839 20.505 0.369 324 HH22 ARG 45 2HH2 ARG 45 -16.337 19.427 1.630 325 H VAL 46 H VAL 46 -10.592 17.264 -6.857 326 HA VAL 46 HA VAL 46 -8.998 18.717 -7.565 327 HB VAL 46 HB VAL 46 -10.624 20.704 -5.976 328 HG11 VAL 46 1HG1 VAL 46 -9.379 21.836 -8.279 329 HG12 VAL 46 2HG1 VAL 46 -8.147 21.028 -7.311 330 HG13 VAL 46 3HG1 VAL 46 -9.167 22.270 -6.583 331 HG21 VAL 46 3HG2 VAL 46 -10.796 20.396 -8.936 332 HG22 VAL 46 1HG2 VAL 46 -12.003 20.987 -7.792 333 HG23 VAL 46 2HG2 VAL 46 -11.661 19.260 -7.901 334 H PHE 47 H PHE 47 -7.620 17.397 -6.045 335 HA PHE 47 HA PHE 47 -6.416 19.160 -4.013 336 HB2 PHE 47 1HB PHE 47 -7.255 16.320 -3.824 337 HB3 PHE 47 2HB PHE 47 -5.707 16.726 -3.089 338 HD1 PHE 47 HD2 PHE 47 -9.200 18.037 -3.223 339 HD2 PHE 47 HD1 PHE 47 -5.711 17.350 -0.887 340 HE1 PHE 47 HE2 PHE 47 -10.372 18.881 -1.232 341 HE2 PHE 47 HE1 PHE 47 -6.877 18.192 1.108 342 HZ PHE 47 HZ PHE 47 -9.210 18.959 0.938 343 H GLY 48 H GLY 48 -5.696 16.172 -5.850 344 HA2 GLY 48 1HA GLY 48 -3.018 17.302 -6.396 345 HA3 GLY 48 2HA GLY 48 -3.278 15.598 -6.054 346 H ASP 49 H ASP 49 -4.552 18.090 -8.271 347 HA ASP 49 HA ASP 49 -5.260 16.255 -10.302 348 HB2 ASP 49 1HB ASP 49 -6.247 18.507 -10.124 349 HB3 ASP 49 2HB ASP 49 -4.689 19.221 -10.527 350 H ASP 50 H ASP 50 -2.717 18.765 -10.542 351 HA ASP 50 HA ASP 50 -1.172 16.875 -12.192 352 HB2 ASP 50 1HB ASP 50 -2.000 19.189 -13.099 353 HB3 ASP 50 2HB ASP 50 -0.642 19.830 -12.181 354 H GLY 51 H GLY 51 -1.063 18.965 -9.381 355 HA2 GLY 51 1HA GLY 51 0.395 18.892 -7.589 356 HA3 GLY 51 2HA GLY 51 1.272 17.608 -8.405 357 H GLU 52 H GLU 52 1.663 20.572 -7.170 358 HA GLU 52 HA GLU 52 3.788 21.245 -9.097 359 HB2 GLU 52 1HB GLU 52 1.998 23.189 -7.623 360 HB3 GLU 52 2HB GLU 52 3.374 23.639 -8.620 361 HG2 GLU 52 1HG GLU 52 2.209 22.478 -10.535 362 HG3 GLU 52 2HG GLU 52 0.789 22.385 -9.495 363 H LEU 53 H LEU 53 4.004 19.654 -6.688 364 HA LEU 53 HA LEU 53 6.072 21.207 -5.351 365 HB2 LEU 53 1HB LEU 53 3.611 21.089 -4.172 366 HB3 LEU 53 2HB LEU 53 4.401 19.695 -3.460 367 HG LEU 53 HG LEU 53 6.337 21.513 -3.068 368 HD11 LEU 53 1HD1 LEU 53 4.036 23.243 -2.415 369 HD12 LEU 53 2HD1 LEU 53 4.499 23.159 -4.114 370 HD13 LEU 53 3HD1 LEU 53 5.676 23.666 -2.903 371 HD21 LEU 53 3HD2 LEU 53 3.912 21.082 -1.329 372 HD22 LEU 53 1HD2 LEU 53 5.438 21.781 -0.788 373 HD23 LEU 53 2HD2 LEU 53 5.384 20.109 -1.346 374 H TYR 54 H TYR 54 7.429 19.830 -3.913 375 HA TYR 54 HA TYR 54 7.655 17.141 -5.067 376 HB2 TYR 54 1HB TYR 54 9.587 19.161 -4.259 377 HB3 TYR 54 2HB TYR 54 9.935 17.600 -3.526 378 HD1 TYR 54 HD1 TYR 54 8.908 18.926 -6.876 379 HD2 TYR 54 HD2 TYR 54 11.376 16.232 -4.695 380 HE1 TYR 54 HE1 TYR 54 9.937 18.175 -8.979 381 HE2 TYR 54 HE2 TYR 54 12.412 15.474 -6.791 382 HH TYR 54 HH TYR 54 12.773 16.423 -9.120 383 H ASP 55 H ASP 55 6.735 15.589 -3.906 384 HA ASP 55 HA ASP 55 6.947 15.718 -0.967 385 HB2 ASP 55 1HB ASP 55 4.647 15.081 -2.739 386 HB3 ASP 55 2HB ASP 55 4.809 14.124 -1.269 387 H HIS 56 H HIS 56 7.344 13.787 0.152 388 HA HIS 56 HA HIS 56 8.291 11.561 -1.535 389 HB2 HIS 56 1HB HIS 56 9.884 13.052 0.041 390 HB3 HIS 56 2HB HIS 56 9.371 11.843 1.212 391 HD1 HIS 56 HD1 HIS 56 10.451 11.562 -2.435 392 HD2 HIS 56 HD2 HIS 56 11.306 9.963 1.307 393 HE1 HIS 56 HE1 HIS 56 12.213 9.812 -2.836 394 HE2 HIS 56 HE2 HIS 56 12.684 8.827 -0.565 395 H ILE 57 H ILE 57 7.962 9.436 -0.807 396 HA ILE 57 HA ILE 57 6.142 9.076 1.466 397 HB ILE 57 HB ILE 57 4.929 7.319 0.055 398 HG12 ILE 57 1HG1 ILE 57 5.641 8.955 -2.335 399 HG13 ILE 57 2HG1 ILE 57 6.792 7.731 -1.809 400 HG21 ILE 57 1HG2 ILE 57 3.672 9.309 -1.196 401 HG22 ILE 57 2HG2 ILE 57 4.644 10.262 -0.075 402 HG23 ILE 57 3HG2 ILE 57 3.534 9.037 0.541 403 HD11 ILE 57 3HD1 ILE 57 4.427 6.361 -1.787 404 HD12 ILE 57 1HD1 ILE 57 5.618 6.343 -3.087 405 HD13 ILE 57 2HD1 ILE 57 4.241 7.440 -3.169 406 H ASN 58 H ASN 58 7.429 7.928 2.799 407 HA ASN 58 HA ASN 58 9.294 5.980 1.809 408 HB2 ASN 58 1HB ASN 58 8.765 7.312 4.340 409 HB3 ASN 58 2HB ASN 58 9.066 5.593 4.567 410 HD21 ASN 58 2HD2 ASN 58 10.939 4.939 2.819 411 HD22 ASN 58 1HD2 ASN 58 12.375 5.872 3.044 412 H VAL 59 H VAL 59 9.273 3.725 2.256 413 HA VAL 59 HA VAL 59 6.652 2.617 2.996 414 HB VAL 59 HB VAL 59 6.795 2.617 0.551 415 HG11 VAL 59 1HG1 VAL 59 8.963 0.620 0.441 416 HG12 VAL 59 2HG1 VAL 59 9.453 2.271 0.813 417 HG13 VAL 59 3HG1 VAL 59 8.565 1.929 -0.671 418 HG21 VAL 59 3HG2 VAL 59 5.870 0.639 1.985 419 HG22 VAL 59 1HG2 VAL 59 7.227 -0.243 1.285 420 HG23 VAL 59 2HG2 VAL 59 6.008 0.481 0.235 421 H LEU 60 H LEU 60 6.683 0.486 3.846 422 HA LEU 60 HA LEU 60 9.320 -0.398 4.824 423 HB2 LEU 60 1HB LEU 60 7.349 0.435 6.395 424 HB3 LEU 60 2HB LEU 60 6.783 -1.207 6.171 425 HG LEU 60 HG LEU 60 8.043 -1.067 8.220 426 HD11 LEU 60 1HD1 LEU 60 9.999 -2.422 6.439 427 HD12 LEU 60 2HD1 LEU 60 8.340 -3.016 6.477 428 HD13 LEU 60 3HD1 LEU 60 9.290 -2.961 7.960 429 HD21 LEU 60 3HD2 LEU 60 9.476 0.893 7.113 430 HD22 LEU 60 1HD2 LEU 60 10.602 -0.443 6.873 431 HD23 LEU 60 2HD2 LEU 60 10.045 -0.042 8.496 432 H ARG 61 H ARG 61 9.981 -2.398 4.288 433 HA ARG 61 HA ARG 61 7.997 -4.273 3.167 434 HB2 ARG 61 1HB ARG 61 10.837 -3.773 2.254 435 HB3 ARG 61 2HB ARG 61 9.849 -5.117 1.701 436 HG2 ARG 61 1HG ARG 61 8.685 -3.843 0.278 437 HG3 ARG 61 2HG ARG 61 8.576 -2.496 1.413 438 HD2 ARG 61 1HD ARG 61 10.639 -1.630 0.772 439 HD3 ARG 61 2HD ARG 61 11.169 -3.156 0.065 440 HE ARG 61 HE ARG 61 9.055 -2.448 -1.478 441 HH11 ARG 61 1HH1 ARG 61 11.982 -0.785 -0.508 442 HH12 ARG 61 2HH1 ARG 61 12.064 0.168 -1.951 443 HH21 ARG 61 1HH2 ARG 61 9.175 -1.189 -3.382 444 HH22 ARG 61 2HH2 ARG 61 10.474 -0.060 -3.580 445 H ASN 62 H ASN 62 8.235 -6.459 3.674 446 HA ASN 62 HA ASN 62 9.163 -7.136 6.189 447 HB2 ASN 62 1HB ASN 62 8.349 -8.671 3.784 448 HB3 ASN 62 2HB ASN 62 9.288 -9.551 4.985 449 HD21 ASN 62 2HD2 ASN 62 6.259 -8.129 4.214 450 HD22 ASN 62 1HD2 ASN 62 5.422 -8.612 5.648 451 H GLY 63 H GLY 63 10.862 -7.306 3.096 452 HA2 GLY 63 1HA GLY 63 13.253 -6.920 3.068 453 HA3 GLY 63 2HA GLY 63 13.360 -7.794 4.588 454 H GLU 64 H GLU 64 11.306 -9.061 2.089 455 HA GLU 64 HA GLU 64 13.362 -11.059 1.421 456 HB2 GLU 64 1HB GLU 64 11.189 -11.627 2.930 457 HB3 GLU 64 2HB GLU 64 10.526 -11.908 1.328 458 HG2 GLU 64 1HG GLU 64 11.305 -13.991 1.935 459 HG3 GLU 64 2HG GLU 64 12.622 -13.356 0.953 460 H ALA 65 H ALA 65 12.886 -12.223 -0.657 461 HA ALA 65 HA ALA 65 12.553 -10.371 -2.756 462 HB1 ALA 65 3HB ALA 65 12.976 -13.294 -2.552 463 HB2 ALA 65 1HB ALA 65 13.862 -12.080 -3.474 464 HB3 ALA 65 2HB ALA 65 12.317 -12.686 -4.071 465 H ALA 66 H ALA 66 10.648 -9.386 -3.098 466 HA ALA 66 HA ALA 66 8.269 -11.088 -3.443 467 HB1 ALA 66 3HB ALA 66 8.533 -9.359 -1.372 468 HB2 ALA 66 1HB ALA 66 6.991 -9.845 -2.076 469 HB3 ALA 66 2HB ALA 66 7.749 -8.332 -2.573 470 H ALA 67 H ALA 67 6.706 -10.343 -4.965 471 HA ALA 67 HA ALA 67 7.817 -8.473 -6.958 472 HB1 ALA 67 3HB ALA 67 5.809 -10.639 -7.538 473 HB2 ALA 67 1HB ALA 67 7.551 -10.897 -7.634 474 HB3 ALA 67 2HB ALA 67 6.776 -9.710 -8.683 475 H LEU 68 H LEU 68 5.842 -7.733 -8.473 476 HA LEU 68 HA LEU 68 3.825 -6.596 -6.665 477 HB2 LEU 68 1HB LEU 68 3.718 -4.664 -8.046 478 HB3 LEU 68 2HB LEU 68 5.408 -4.985 -7.711 479 HG LEU 68 HG LEU 68 5.190 -6.268 -10.067 480 HD11 LEU 68 1HD1 LEU 68 3.547 -3.888 -10.707 481 HD12 LEU 68 2HD1 LEU 68 2.720 -5.281 -10.010 482 HD13 LEU 68 3HD1 LEU 68 3.636 -5.457 -11.507 483 HD21 LEU 68 3HD2 LEU 68 6.863 -4.607 -9.549 484 HD22 LEU 68 1HD2 LEU 68 5.661 -3.319 -9.657 485 HD23 LEU 68 2HD2 LEU 68 6.115 -4.227 -11.100 486 H GLY 69 H GLY 69 4.362 -8.216 -9.738 487 HA2 GLY 69 1HA GLY 69 1.553 -8.112 -10.460 488 HA3 GLY 69 2HA GLY 69 2.836 -8.900 -11.362 489 H GLU 70 H GLU 70 2.231 -9.477 -7.938 490 HA GLU 70 HA GLU 70 0.776 -11.920 -8.462 491 HB2 GLU 70 1HB GLU 70 3.599 -11.991 -8.233 492 HB3 GLU 70 2HB GLU 70 2.948 -12.669 -6.747 493 HG2 GLU 70 1HG GLU 70 1.559 -14.197 -8.120 494 HG3 GLU 70 2HG GLU 70 2.373 -13.580 -9.556 495 H ALA 71 H ALA 71 -0.857 -11.044 -7.190 496 HA ALA 71 HA ALA 71 -0.454 -9.972 -4.595 497 HB1 ALA 71 3HB ALA 71 -3.007 -10.571 -4.439 498 HB2 ALA 71 1HB ALA 71 -2.822 -10.841 -6.172 499 HB3 ALA 71 2HB ALA 71 -2.442 -9.263 -5.481 500 H THR 72 H THR 72 -0.370 -13.185 -5.698 501 HA THR 72 HA THR 72 -1.273 -14.353 -3.201 502 HB THR 72 HB THR 72 -1.867 -15.463 -5.298 503 HG1 THR 72 HG1 THR 72 -1.334 -16.708 -3.340 504 HG21 THR 72 3HG2 THR 72 1.090 -15.626 -5.729 505 HG22 THR 72 1HG2 THR 72 -0.159 -15.027 -6.819 506 HG23 THR 72 2HG2 THR 72 -0.033 -16.754 -6.486 507 H ALA 73 H ALA 73 1.024 -12.617 -3.066 508 HA ALA 73 HA ALA 73 3.297 -14.396 -2.649 509 HB1 ALA 73 3HB ALA 73 4.189 -12.539 -3.585 510 HB2 ALA 73 1HB ALA 73 4.232 -11.988 -1.909 511 HB3 ALA 73 2HB ALA 73 2.917 -11.483 -2.971 512 H ALA 74 H ALA 74 4.596 -14.029 -0.604 513 HA ALA 74 HA ALA 74 2.761 -13.944 1.699 514 HB1 ALA 74 3HB ALA 74 5.452 -15.292 1.558 515 HB2 ALA 74 1HB ALA 74 3.917 -16.104 1.255 516 HB3 ALA 74 2HB ALA 74 4.256 -15.424 2.847 517 H GLY 75 H GLY 75 3.752 -11.503 0.678 518 HA2 GLY 75 1HA GLY 75 4.523 -10.105 2.869 519 HA3 GLY 75 2HA GLY 75 6.047 -10.704 2.238 520 H ASP 76 H ASP 76 3.090 -9.055 1.105 521 HA ASP 76 HA ASP 76 4.378 -7.876 -1.136 522 HB2 ASP 76 1HB ASP 76 1.830 -6.964 0.212 523 HB3 ASP 76 2HB ASP 76 2.353 -6.564 -1.417 524 H GLU 77 H GLU 77 2.927 -6.161 1.618 525 HA GLU 77 HA GLU 77 5.331 -4.514 1.829 526 HB2 GLU 77 1HB GLU 77 3.862 -3.277 0.337 527 HB3 GLU 77 2HB GLU 77 2.531 -3.431 1.470 528 HG2 GLU 77 1HG GLU 77 3.444 -1.909 2.953 529 HG3 GLU 77 2HG GLU 77 5.065 -2.084 2.285 530 H LEU 78 H LEU 78 5.482 -3.346 3.868 531 HA LEU 78 HA LEU 78 4.058 -4.761 6.009 532 HB2 LEU 78 1HB LEU 78 6.720 -4.291 5.689 533 HB3 LEU 78 2HB LEU 78 6.268 -2.936 6.702 534 HG LEU 78 HG LEU 78 7.062 -4.710 8.104 535 HD11 LEU 78 1HD1 LEU 78 5.298 -4.882 9.641 536 HD12 LEU 78 2HD1 LEU 78 4.075 -4.793 8.374 537 HD13 LEU 78 3HD1 LEU 78 5.022 -3.364 8.786 538 HD21 LEU 78 3HD2 LEU 78 5.042 -6.426 6.679 539 HD22 LEU 78 1HD2 LEU 78 5.859 -6.897 8.169 540 HD23 LEU 78 2HD2 LEU 78 6.794 -6.614 6.702 541 H ALA 79 H ALA 79 4.906 -1.486 4.912 542 HA ALA 79 HA ALA 79 2.479 -0.383 5.898 543 HB1 ALA 79 3HB ALA 79 3.415 -0.459 8.058 544 HB2 ALA 79 1HB ALA 79 3.633 1.208 7.527 545 HB3 ALA 79 2HB ALA 79 4.990 0.085 7.486 546 H LEU 80 H LEU 80 2.384 2.012 5.559 547 HA LEU 80 HA LEU 80 4.417 3.040 3.716 548 HB2 LEU 80 1HB LEU 80 2.245 2.062 2.616 549 HB3 LEU 80 2HB LEU 80 1.522 3.562 3.160 550 HG LEU 80 HG LEU 80 2.285 3.590 0.785 551 HD11 LEU 80 1HD1 LEU 80 2.013 5.650 2.121 552 HD12 LEU 80 2HD1 LEU 80 3.245 5.790 0.867 553 HD13 LEU 80 3HD1 LEU 80 3.722 5.563 2.549 554 HD21 LEU 80 3HD2 LEU 80 4.632 2.493 1.879 555 HD22 LEU 80 1HD2 LEU 80 5.056 4.095 1.277 556 HD23 LEU 80 2HD2 LEU 80 4.312 2.916 0.199 557 H PHE 81 H PHE 81 5.186 4.792 4.636 558 HA PHE 81 HA PHE 81 3.336 6.832 5.606 559 HB2 PHE 81 1HB PHE 81 4.848 7.137 7.664 560 HB3 PHE 81 2HB PHE 81 3.715 5.790 7.676 561 HD1 PHE 81 HD1 PHE 81 7.265 6.683 7.105 562 HD2 PHE 81 HD2 PHE 81 4.467 3.585 7.936 563 HE1 PHE 81 HE1 PHE 81 9.121 5.137 7.565 564 HE2 PHE 81 HE2 PHE 81 6.319 2.034 8.396 565 HZ PHE 81 HZ PHE 81 8.649 2.807 8.212 566 HA PRO 82 HA PRO 82 6.340 9.386 3.571 567 HB2 PRO 82 1HB PRO 82 5.500 11.811 4.380 568 HB3 PRO 82 2HB PRO 82 4.580 10.838 3.226 569 HG2 PRO 82 1HG PRO 82 4.141 11.213 6.161 570 HG3 PRO 82 2HG PRO 82 2.950 11.166 4.847 571 HD2 PRO 82 1HD PRO 82 3.486 9.039 6.485 572 HD3 PRO 82 2HD PRO 82 2.886 8.874 4.823 573 HA PRO 83 HA PRO 83 9.616 10.084 6.470 574 HB2 PRO 83 1HB PRO 83 10.417 12.390 4.794 575 HB3 PRO 83 2HB PRO 83 11.329 10.939 5.221 576 HG2 PRO 83 1HG PRO 83 10.353 11.281 2.759 577 HG3 PRO 83 2HG PRO 83 10.379 9.682 3.525 578 HD2 PRO 83 1HD PRO 83 8.090 11.578 3.173 579 HD3 PRO 83 2HD PRO 83 8.125 9.810 3.011 580 H VAL 84 H VAL 84 8.297 10.825 8.207 581 HA VAL 84 HA VAL 84 7.269 13.408 8.466 582 HB VAL 84 HB VAL 84 7.355 12.908 10.963 583 HG11 VAL 84 1HG1 VAL 84 5.744 10.821 10.506 584 HG12 VAL 84 2HG1 VAL 84 5.862 11.463 8.867 585 HG13 VAL 84 3HG1 VAL 84 5.277 12.489 10.177 586 HG21 VAL 84 3HG2 VAL 84 8.038 10.113 10.122 587 HG22 VAL 84 1HG2 VAL 84 7.991 10.800 11.745 588 HG23 VAL 84 2HG2 VAL 84 9.284 11.250 10.633 589 H SER 85 H SER 85 8.076 15.309 9.143 590 HA SER 85 HA SER 85 10.845 15.793 9.067 591 HB2 SER 85 1HB SER 85 9.112 17.729 10.518 592 HB3 SER 85 2HB SER 85 10.298 18.011 9.245 593 HG SER 85 HG SER 85 8.805 17.262 7.737 594 H GLY 86 H GLY 86 12.242 16.612 10.755 595 HA2 GLY 86 1HA GLY 86 11.474 15.832 13.486 596 HA3 GLY 86 2HA GLY 86 12.947 15.176 12.788 597 H GLY 87 H GLY 87 13.987 16.173 14.655 598 HA2 GLY 87 1HA GLY 87 15.598 17.777 15.205 599 HA3 GLY 87 2HA GLY 87 14.917 18.849 13.990 Start of MODEL 16 1 H1 MET 1 1H MET 1 0.635 -11.172 3.433 2 H2 MET 1 2H MET 1 0.010 -10.611 4.932 3 H3 MET 1 3H MET 1 1.210 -9.705 4.108 4 HA MET 1 HA MET 1 -0.231 -9.126 2.408 5 HB2 MET 1 1HB MET 1 -1.620 -11.503 3.368 6 HB3 MET 1 2HB MET 1 -2.725 -10.162 3.095 7 HG2 MET 1 1HG MET 1 -2.268 -10.068 0.835 8 HG3 MET 1 2HG MET 1 -0.719 -10.887 1.009 9 HE1 MET 1 3HE MET 1 -0.452 -13.080 1.899 10 HE2 MET 1 1HE MET 1 -0.772 -13.946 0.395 11 HE3 MET 1 2HE MET 1 -1.609 -14.412 1.876 12 H GLU 2 H GLU 2 0.345 -7.332 3.852 13 HA GLU 2 HA GLU 2 -2.040 -6.300 5.195 14 HB2 GLU 2 1HB GLU 2 0.665 -6.045 6.498 15 HB3 GLU 2 2HB GLU 2 -0.912 -5.681 7.186 16 HG2 GLU 2 1HG GLU 2 -1.460 -7.993 7.342 17 HG3 GLU 2 2HG GLU 2 -0.028 -8.451 6.421 18 H TRP 3 H TRP 3 -1.855 -3.946 5.659 19 HA TRP 3 HA TRP 3 0.154 -2.466 4.206 20 HB2 TRP 3 1HB TRP 3 -1.453 -2.985 2.423 21 HB3 TRP 3 2HB TRP 3 -2.764 -2.341 3.400 22 HD1 TRP 3 HD TRP 3 -2.275 0.439 4.089 23 HE1 TRP 3 HE1 TRP 3 -1.588 2.293 2.445 24 HE3 TRP 3 HE3 TRP 3 -0.377 -2.465 0.331 25 HZ2 TRP 3 HZ2 TRP 3 -0.406 2.501 -0.109 26 HZ3 TRP 3 HZ3 TRP 3 0.510 -1.357 -1.681 27 HH2 TRP 3 HH TRP 3 0.494 1.074 -1.893 28 H LYS 4 H LYS 4 0.383 -0.398 4.973 29 HA LYS 4 HA LYS 4 -1.613 0.624 6.861 30 HB2 LYS 4 1HB LYS 4 1.333 0.276 7.429 31 HB3 LYS 4 2HB LYS 4 0.303 1.351 8.362 32 HG2 LYS 4 1HG LYS 4 -0.734 -0.348 9.439 33 HG3 LYS 4 2HG LYS 4 -0.613 -1.446 8.062 34 HD2 LYS 4 1HD LYS 4 1.684 -1.895 8.528 35 HD3 LYS 4 2HD LYS 4 1.747 -0.616 9.740 36 HE2 LYS 4 1HE LYS 4 -0.300 -2.180 10.660 37 HE3 LYS 4 2HE LYS 4 0.791 -3.374 9.957 38 HZ1 LYS 4 3HZ LYS 4 1.464 -3.124 12.173 39 HZ2 LYS 4 1HZ LYS 4 1.357 -1.436 12.121 40 HZ3 LYS 4 2HZ LYS 4 2.593 -2.233 11.285 41 H LEU 5 H LEU 5 -1.774 2.866 6.907 42 HA LEU 5 HA LEU 5 0.118 4.355 5.220 43 HB2 LEU 5 1HB LEU 5 -2.095 3.646 4.067 44 HB3 LEU 5 2HB LEU 5 -2.826 4.901 5.049 45 HG LEU 5 HG LEU 5 -1.300 6.559 4.023 46 HD11 LEU 5 1HD1 LEU 5 0.554 5.117 3.440 47 HD12 LEU 5 2HD1 LEU 5 -0.058 5.921 1.996 48 HD13 LEU 5 3HD1 LEU 5 -0.459 4.232 2.300 49 HD21 LEU 5 3HD2 LEU 5 -2.979 4.929 2.125 50 HD22 LEU 5 1HD2 LEU 5 -2.368 6.551 1.797 51 HD23 LEU 5 2HD2 LEU 5 -3.512 6.288 3.113 52 H PHE 6 H PHE 6 0.146 6.654 5.579 53 HA PHE 6 HA PHE 6 -0.270 7.313 8.362 54 HB2 PHE 6 1HB PHE 6 1.382 8.293 6.217 55 HB3 PHE 6 2HB PHE 6 0.498 9.634 6.928 56 HD1 PHE 6 HD2 PHE 6 0.366 8.737 9.765 57 HD2 PHE 6 HD1 PHE 6 3.561 8.637 6.952 58 HE1 PHE 6 HE2 PHE 6 1.990 8.822 11.610 59 HE2 PHE 6 HE1 PHE 6 5.188 8.724 8.795 60 HZ PHE 6 HZ PHE 6 4.405 8.817 11.127 61 H ALA 7 H ALA 7 -1.035 9.832 8.575 62 HA ALA 7 HA ALA 7 -3.830 9.747 7.949 63 HB1 ALA 7 3HB ALA 7 -4.078 11.366 9.501 64 HB2 ALA 7 1HB ALA 7 -2.673 12.273 8.942 65 HB3 ALA 7 2HB ALA 7 -2.457 10.853 9.967 66 H ASP 8 H ASP 8 -1.132 10.865 6.233 67 HA ASP 8 HA ASP 8 -2.005 13.177 4.984 68 HB2 ASP 8 1HB ASP 8 0.255 11.858 4.809 69 HB3 ASP 8 2HB ASP 8 -0.513 11.100 3.417 70 H LEU 9 H LEU 9 -2.767 9.822 4.256 71 HA LEU 9 HA LEU 9 -4.590 10.687 2.111 72 HB2 LEU 9 1HB LEU 9 -2.894 8.358 2.540 73 HB3 LEU 9 2HB LEU 9 -4.530 7.926 2.078 74 HG LEU 9 HG LEU 9 -4.204 9.614 0.147 75 HD11 LEU 9 1HD1 LEU 9 -2.116 10.566 1.115 76 HD12 LEU 9 2HD1 LEU 9 -1.958 10.023 -0.555 77 HD13 LEU 9 3HD1 LEU 9 -1.311 9.038 0.757 78 HD21 LEU 9 3HD2 LEU 9 -3.919 7.816 -1.159 79 HD22 LEU 9 1HD2 LEU 9 -3.919 6.901 0.348 80 HD23 LEU 9 2HD2 LEU 9 -2.392 7.381 -0.392 81 H ALA 10 H ALA 10 -4.442 8.820 5.119 82 HA ALA 10 HA ALA 10 -7.108 7.872 5.075 83 HB1 ALA 10 3HB ALA 10 -6.051 6.695 6.654 84 HB2 ALA 10 1HB ALA 10 -6.543 8.005 7.727 85 HB3 ALA 10 2HB ALA 10 -4.924 8.000 7.026 86 H GLU 11 H GLU 11 -5.862 11.026 5.682 87 HA GLU 11 HA GLU 11 -7.863 11.967 7.453 88 HB2 GLU 11 1HB GLU 11 -5.776 13.196 5.746 89 HB3 GLU 11 2HB GLU 11 -7.139 14.225 6.163 90 HG2 GLU 11 1HG GLU 11 -6.737 13.860 8.521 91 HG3 GLU 11 2HG GLU 11 -5.419 12.752 8.145 92 H VAL 12 H VAL 12 -7.799 11.466 3.995 93 HA VAL 12 HA VAL 12 -10.269 12.996 3.672 94 HB VAL 12 HB VAL 12 -8.727 11.651 1.473 95 HG11 VAL 12 1HG1 VAL 12 -10.328 14.136 1.151 96 HG12 VAL 12 2HG1 VAL 12 -11.187 12.606 1.327 97 HG13 VAL 12 3HG1 VAL 12 -10.035 12.823 0.011 98 HG21 VAL 12 3HG2 VAL 12 -8.252 14.258 2.852 99 HG22 VAL 12 1HG2 VAL 12 -7.924 14.110 1.126 100 HG23 VAL 12 2HG2 VAL 12 -7.088 13.066 2.273 101 H ALA 13 H ALA 13 -9.035 9.696 3.141 102 HA ALA 13 HA ALA 13 -11.726 8.779 2.493 103 HB1 ALA 13 3HB ALA 13 -10.777 7.009 1.474 104 HB2 ALA 13 1HB ALA 13 -9.564 6.794 2.733 105 HB3 ALA 13 2HB ALA 13 -9.341 8.031 1.498 106 H GLY 14 H GLY 14 -9.261 8.257 4.997 107 HA2 GLY 14 1HA GLY 14 -9.951 7.989 7.298 108 HA3 GLY 14 2HA GLY 14 -11.395 7.174 6.722 109 H SER 15 H SER 15 -9.797 5.588 4.763 110 HA SER 15 HA SER 15 -8.848 3.566 6.662 111 HB2 SER 15 1HB SER 15 -10.651 2.997 4.972 112 HB3 SER 15 2HB SER 15 -9.422 3.170 3.720 113 HG SER 15 HG SER 15 -9.683 1.216 5.708 114 H ARG 16 H ARG 16 -6.733 3.716 7.043 115 HA ARG 16 HA ARG 16 -4.918 4.452 4.882 116 HB2 ARG 16 1HB ARG 16 -3.252 4.464 6.855 117 HB3 ARG 16 2HB ARG 16 -4.415 5.767 6.739 118 HG2 ARG 16 1HG ARG 16 -5.256 3.449 8.347 119 HG3 ARG 16 2HG ARG 16 -3.898 4.373 8.986 120 HD2 ARG 16 1HD ARG 16 -5.218 6.421 8.858 121 HD3 ARG 16 2HD ARG 16 -6.574 5.517 8.187 122 HE ARG 16 HE ARG 16 -7.113 4.840 10.298 123 HH11 ARG 16 1HH1 ARG 16 -3.807 5.994 10.323 124 HH12 ARG 16 2HH1 ARG 16 -3.660 5.909 12.045 125 HH21 ARG 16 1HH2 ARG 16 -6.915 4.733 12.568 126 HH22 ARG 16 2HH2 ARG 16 -5.426 5.194 13.322 127 H THR 17 H THR 17 -5.504 1.912 7.284 128 HA THR 17 HA THR 17 -3.430 0.249 6.089 129 HB THR 17 HB THR 17 -3.582 -1.138 7.989 130 HG1 THR 17 HG1 THR 17 -6.088 0.083 8.498 131 HG21 THR 17 3HG2 THR 17 -4.060 1.694 8.848 132 HG22 THR 17 1HG2 THR 17 -2.525 0.839 8.706 133 HG23 THR 17 2HG2 THR 17 -3.669 0.393 9.972 134 H VAL 18 H VAL 18 -3.816 -1.794 5.203 135 HA VAL 18 HA VAL 18 -6.597 -2.577 4.750 136 HB VAL 18 HB VAL 18 -4.664 -2.509 2.439 137 HG11 VAL 18 1HG1 VAL 18 -7.126 -2.359 1.371 138 HG12 VAL 18 2HG1 VAL 18 -7.493 -3.249 2.848 139 HG13 VAL 18 3HG1 VAL 18 -6.304 -3.881 1.709 140 HG21 VAL 18 3HG2 VAL 18 -4.926 -0.212 3.108 141 HG22 VAL 18 1HG2 VAL 18 -6.675 -0.402 3.228 142 HG23 VAL 18 2HG2 VAL 18 -5.885 -0.491 1.654 143 H ARG 19 H ARG 19 -6.713 -4.597 5.485 144 HA ARG 19 HA ARG 19 -4.380 -6.355 5.256 145 HB2 ARG 19 1HB ARG 19 -6.955 -6.789 6.786 146 HB3 ARG 19 2HB ARG 19 -5.518 -7.797 6.864 147 HG2 ARG 19 1HG ARG 19 -4.623 -6.514 8.432 148 HG3 ARG 19 2HG ARG 19 -4.849 -5.065 7.452 149 HD2 ARG 19 1HD ARG 19 -6.419 -4.398 8.874 150 HD3 ARG 19 2HD ARG 19 -7.401 -5.780 8.392 151 HE ARG 19 HE ARG 19 -6.938 -6.744 10.404 152 HH11 ARG 19 1HH1 ARG 19 -4.537 -4.265 9.810 153 HH12 ARG 19 2HH1 ARG 19 -3.808 -4.423 11.373 154 HH21 ARG 19 1HH2 ARG 19 -5.971 -6.949 12.460 155 HH22 ARG 19 2HH2 ARG 19 -4.623 -5.945 12.876 156 H VAL 20 H VAL 20 -4.357 -8.168 4.010 157 HA VAL 20 HA VAL 20 -6.740 -8.642 2.343 158 HB VAL 20 HB VAL 20 -3.909 -9.467 1.702 159 HG11 VAL 20 1HG1 VAL 20 -6.529 -9.728 0.359 160 HG12 VAL 20 2HG1 VAL 20 -5.119 -10.784 0.315 161 HG13 VAL 20 3HG1 VAL 20 -5.152 -9.316 -0.662 162 HG21 VAL 20 3HG2 VAL 20 -4.383 -7.514 -0.068 163 HG22 VAL 20 1HG2 VAL 20 -3.599 -7.232 1.485 164 HG23 VAL 20 2HG2 VAL 20 -5.319 -6.898 1.294 165 H ASP 21 H ASP 21 -7.814 -10.467 2.589 166 HA ASP 21 HA ASP 21 -6.556 -12.671 4.067 167 HB2 ASP 21 1HB ASP 21 -9.121 -13.387 4.115 168 HB3 ASP 21 2HB ASP 21 -8.446 -12.273 5.295 169 H VAL 22 H VAL 22 -8.277 -11.859 1.113 170 HA VAL 22 HA VAL 22 -7.862 -14.612 0.153 171 HB VAL 22 HB VAL 22 -10.220 -13.952 0.196 172 HG11 VAL 22 1HG1 VAL 22 -10.922 -12.204 -1.552 173 HG12 VAL 22 2HG1 VAL 22 -9.248 -11.654 -1.470 174 HG13 VAL 22 3HG1 VAL 22 -10.255 -11.631 -0.023 175 HG21 VAL 22 3HG2 VAL 22 -9.515 -15.520 -1.510 176 HG22 VAL 22 1HG2 VAL 22 -9.083 -14.193 -2.590 177 HG23 VAL 22 2HG2 VAL 22 -10.770 -14.462 -2.154 178 H ASP 23 H ASP 23 -6.929 -14.972 -1.852 179 HA ASP 23 HA ASP 23 -5.624 -12.630 -3.079 180 HB2 ASP 23 1HB ASP 23 -4.269 -14.586 -1.890 181 HB3 ASP 23 2HB ASP 23 -4.503 -15.372 -3.447 182 H GLY 24 H GLY 24 -6.274 -12.163 -5.071 183 HA2 GLY 24 1HA GLY 24 -7.305 -14.358 -6.760 184 HA3 GLY 24 2HA GLY 24 -8.093 -12.790 -6.696 185 H ASP 25 H ASP 25 -7.481 -11.277 -8.131 186 HA ASP 25 HA ASP 25 -5.139 -11.870 -9.808 187 HB2 ASP 25 1HB ASP 25 -7.796 -10.685 -10.334 188 HB3 ASP 25 2HB ASP 25 -6.450 -9.938 -11.185 189 H ALA 26 H ALA 26 -6.136 -9.782 -7.343 190 HA ALA 26 HA ALA 26 -4.993 -7.339 -8.103 191 HB1 ALA 26 3HB ALA 26 -5.514 -6.636 -6.018 192 HB2 ALA 26 1HB ALA 26 -4.849 -8.074 -5.244 193 HB3 ALA 26 2HB ALA 26 -6.445 -8.132 -5.993 194 H THR 27 H THR 27 -2.980 -6.410 -7.738 195 HA THR 27 HA THR 27 -0.813 -8.311 -7.126 196 HB THR 27 HB THR 27 -0.238 -5.817 -8.640 197 HG1 THR 27 HG1 THR 27 -1.564 -8.063 -9.755 198 HG21 THR 27 3HG2 THR 27 0.896 -8.520 -8.398 199 HG22 THR 27 1HG2 THR 27 1.692 -6.957 -8.578 200 HG23 THR 27 2HG2 THR 27 0.992 -7.757 -9.984 201 H VAL 28 H VAL 28 1.251 -7.126 -6.383 202 HA VAL 28 HA VAL 28 0.601 -5.710 -3.982 203 HB VAL 28 HB VAL 28 3.346 -6.148 -5.167 204 HG11 VAL 28 1HG1 VAL 28 2.412 -5.561 -2.362 205 HG12 VAL 28 2HG1 VAL 28 3.358 -4.506 -3.412 206 HG13 VAL 28 3HG1 VAL 28 4.064 -6.000 -2.797 207 HG21 VAL 28 3HG2 VAL 28 3.338 -8.078 -3.437 208 HG22 VAL 28 1HG2 VAL 28 2.565 -8.323 -5.002 209 HG23 VAL 28 2HG2 VAL 28 1.583 -7.973 -3.580 210 H GLY 29 H GLY 29 1.989 -4.894 -7.119 211 HA2 GLY 29 1HA GLY 29 2.416 -2.147 -6.310 212 HA3 GLY 29 2HA GLY 29 2.812 -2.843 -7.871 213 H ASP 30 H ASP 30 0.187 -4.026 -8.264 214 HA ASP 30 HA ASP 30 -1.090 -2.006 -9.685 215 HB2 ASP 30 1HB ASP 30 -1.487 -4.388 -10.104 216 HB3 ASP 30 2HB ASP 30 -2.290 -4.539 -8.544 217 H ALA 31 H ALA 31 -1.791 -3.241 -6.425 218 HA ALA 31 HA ALA 31 -3.971 -1.419 -5.999 219 HB1 ALA 31 3HB ALA 31 -2.497 -3.344 -4.225 220 HB2 ALA 31 1HB ALA 31 -4.162 -3.427 -4.806 221 HB3 ALA 31 2HB ALA 31 -3.711 -2.235 -3.589 222 H LEU 32 H LEU 32 -0.529 -1.341 -5.551 223 HA LEU 32 HA LEU 32 -0.415 0.672 -3.568 224 HB2 LEU 32 1HB LEU 32 1.494 -0.790 -4.147 225 HB3 LEU 32 2HB LEU 32 1.607 -0.002 -5.711 226 HG LEU 32 HG LEU 32 1.822 1.653 -3.229 227 HD11 LEU 32 1HD1 LEU 32 4.318 1.284 -3.387 228 HD12 LEU 32 2HD1 LEU 32 3.951 -0.134 -4.370 229 HD13 LEU 32 3HD1 LEU 32 3.374 -0.042 -2.706 230 HD21 LEU 32 3HD2 LEU 32 2.664 1.839 -6.089 231 HD22 LEU 32 1HD2 LEU 32 3.542 2.747 -4.859 232 HD23 LEU 32 2HD2 LEU 32 1.815 3.016 -5.088 233 H ASP 33 H ASP 33 0.117 0.845 -7.094 234 HA ASP 33 HA ASP 33 0.155 3.652 -7.237 235 HB2 ASP 33 1HB ASP 33 0.098 3.378 -9.595 236 HB3 ASP 33 2HB ASP 33 1.011 2.016 -8.961 237 H ALA 34 H ALA 34 -2.461 1.323 -7.269 238 HA ALA 34 HA ALA 34 -4.473 3.112 -8.204 239 HB1 ALA 34 3HB ALA 34 -5.192 0.978 -8.517 240 HB2 ALA 34 1HB ALA 34 -5.946 1.288 -6.954 241 HB3 ALA 34 2HB ALA 34 -4.434 0.385 -7.038 242 H LEU 35 H LEU 35 -3.566 1.941 -4.957 243 HA LEU 35 HA LEU 35 -5.514 3.447 -3.572 244 HB2 LEU 35 1HB LEU 35 -3.054 1.963 -2.839 245 HB3 LEU 35 2HB LEU 35 -3.604 3.177 -1.702 246 HG LEU 35 HG LEU 35 -5.773 2.067 -1.523 247 HD11 LEU 35 1HD1 LEU 35 -5.527 1.100 -3.924 248 HD12 LEU 35 2HD1 LEU 35 -6.400 0.182 -2.699 249 HD13 LEU 35 3HD1 LEU 35 -4.740 -0.248 -3.104 250 HD21 LEU 35 3HD2 LEU 35 -3.645 1.391 -0.203 251 HD22 LEU 35 1HD2 LEU 35 -3.737 -0.090 -1.158 252 HD23 LEU 35 2HD2 LEU 35 -5.082 0.373 -0.115 253 H VAL 36 H VAL 36 -2.510 4.334 -5.022 254 HA VAL 36 HA VAL 36 -2.161 6.721 -3.424 255 HB VAL 36 HB VAL 36 -0.725 5.805 -5.918 256 HG11 VAL 36 1HG1 VAL 36 0.941 7.525 -5.352 257 HG12 VAL 36 2HG1 VAL 36 -0.108 8.095 -4.054 258 HG13 VAL 36 3HG1 VAL 36 -0.634 8.220 -5.733 259 HG21 VAL 36 3HG2 VAL 36 0.751 4.719 -4.615 260 HG22 VAL 36 1HG2 VAL 36 -0.576 4.697 -3.455 261 HG23 VAL 36 2HG2 VAL 36 0.680 5.931 -3.338 262 H GLY 37 H GLY 37 -3.002 6.026 -6.833 263 HA2 GLY 37 1HA GLY 37 -3.973 8.814 -7.038 264 HA3 GLY 37 2HA GLY 37 -3.334 7.895 -8.385 265 H ALA 38 H ALA 38 -4.773 5.466 -7.783 266 HA ALA 38 HA ALA 38 -7.228 6.096 -9.117 267 HB1 ALA 38 3HB ALA 38 -7.583 3.790 -9.318 268 HB2 ALA 38 1HB ALA 38 -6.579 3.422 -7.916 269 HB3 ALA 38 2HB ALA 38 -5.834 3.987 -9.412 270 H HIS 39 H HIS 39 -6.465 6.430 -5.913 271 HA HIS 39 HA HIS 39 -9.256 5.988 -5.117 272 HB2 HIS 39 1HB HIS 39 -6.749 5.083 -3.820 273 HB3 HIS 39 2HB HIS 39 -7.973 5.756 -2.748 274 HD1 HIS 39 HD1 HIS 39 -7.406 2.912 -5.143 275 HD2 HIS 39 HD2 HIS 39 -10.184 4.146 -2.310 276 HE1 HIS 39 HE1 HIS 39 -8.938 0.946 -4.801 277 HE2 HIS 39 HE2 HIS 39 -10.577 1.696 -3.040 278 HA PRO 40 HA PRO 40 -7.882 10.512 -4.760 279 HB2 PRO 40 1HB PRO 40 -10.758 10.652 -5.530 280 HB3 PRO 40 2HB PRO 40 -9.406 11.664 -6.057 281 HG2 PRO 40 1HG PRO 40 -10.382 9.809 -7.672 282 HG3 PRO 40 2HG PRO 40 -8.628 10.052 -7.551 283 HD2 PRO 40 1HD PRO 40 -10.331 7.897 -6.369 284 HD3 PRO 40 2HD PRO 40 -8.701 7.795 -7.063 285 H ALA 41 H ALA 41 -10.375 8.461 -3.449 286 HA ALA 41 HA ALA 41 -11.687 10.130 -1.684 287 HB1 ALA 41 3HB ALA 41 -11.012 7.446 -0.656 288 HB2 ALA 41 1HB ALA 41 -11.831 7.506 -2.217 289 HB3 ALA 41 2HB ALA 41 -12.575 8.249 -0.804 290 H LEU 42 H LEU 42 -8.427 8.845 -1.464 291 HA LEU 42 HA LEU 42 -8.160 9.792 1.292 292 HB2 LEU 42 1HB LEU 42 -5.901 8.579 -0.230 293 HB3 LEU 42 2HB LEU 42 -6.256 8.505 1.483 294 HG LEU 42 HG LEU 42 -8.328 7.149 0.021 295 HD11 LEU 42 1HD1 LEU 42 -6.515 6.919 -1.677 296 HD12 LEU 42 2HD1 LEU 42 -7.091 5.390 -1.018 297 HD13 LEU 42 3HD1 LEU 42 -5.561 6.066 -0.465 298 HD21 LEU 42 3HD2 LEU 42 -6.270 5.797 1.712 299 HD22 LEU 42 1HD2 LEU 42 -8.009 5.518 1.617 300 HD23 LEU 42 2HD2 LEU 42 -7.390 6.944 2.448 301 H GLU 43 H GLU 43 -7.534 10.839 -1.903 302 HA GLU 43 HA GLU 43 -5.246 12.462 -1.374 303 HB2 GLU 43 1HB GLU 43 -7.034 11.939 -3.639 304 HB3 GLU 43 2HB GLU 43 -6.434 13.591 -3.580 305 HG2 GLU 43 1HG GLU 43 -4.173 12.857 -3.658 306 HG3 GLU 43 2HG GLU 43 -4.652 11.175 -3.433 307 H SER 44 H SER 44 -5.106 14.488 -0.606 308 HA SER 44 HA SER 44 -7.552 15.798 0.273 309 HB2 SER 44 1HB SER 44 -5.693 17.461 1.197 310 HB3 SER 44 2HB SER 44 -6.058 15.943 2.016 311 HG SER 44 HG SER 44 -3.791 16.313 1.656 312 H ARG 45 H ARG 45 -4.957 16.271 -2.057 313 HA ARG 45 HA ARG 45 -6.514 18.405 -3.298 314 HB2 ARG 45 1HB ARG 45 -3.800 18.719 -2.108 315 HB3 ARG 45 2HB ARG 45 -4.135 19.552 -3.619 316 HG2 ARG 45 1HG ARG 45 -5.513 21.043 -2.649 317 HG3 ARG 45 2HG ARG 45 -6.167 19.864 -1.512 318 HD2 ARG 45 1HD ARG 45 -3.854 19.983 -0.387 319 HD3 ARG 45 2HD ARG 45 -3.632 21.458 -1.323 320 HE ARG 45 HE ARG 45 -5.273 21.113 1.000 321 HH11 ARG 45 1HH1 ARG 45 -4.882 22.981 -1.937 322 HH12 ARG 45 2HH1 ARG 45 -5.733 24.357 -1.322 323 HH21 ARG 45 1HH2 ARG 45 -6.386 22.933 1.808 324 HH22 ARG 45 2HH2 ARG 45 -6.587 24.330 0.804 325 H VAL 46 H VAL 46 -5.655 18.971 -5.483 326 HA VAL 46 HA VAL 46 -4.323 16.649 -6.718 327 HB VAL 46 HB VAL 46 -6.316 18.389 -8.163 328 HG11 VAL 46 1HG1 VAL 46 -6.341 16.678 -9.792 329 HG12 VAL 46 2HG1 VAL 46 -5.485 15.556 -8.735 330 HG13 VAL 46 3HG1 VAL 46 -4.643 16.954 -9.403 331 HG21 VAL 46 3HG2 VAL 46 -6.794 16.138 -6.292 332 HG22 VAL 46 1HG2 VAL 46 -7.729 16.154 -7.787 333 HG23 VAL 46 2HG2 VAL 46 -7.811 17.525 -6.680 334 H PHE 47 H PHE 47 -2.544 18.324 -5.942 335 HA PHE 47 HA PHE 47 -1.604 19.609 -8.365 336 HB2 PHE 47 1HB PHE 47 -2.967 21.233 -6.713 337 HB3 PHE 47 2HB PHE 47 -1.385 21.331 -5.951 338 HD1 PHE 47 HD1 PHE 47 0.538 22.231 -7.199 339 HD2 PHE 47 HD2 PHE 47 -3.399 22.258 -8.817 340 HE1 PHE 47 HE1 PHE 47 1.240 23.895 -8.869 341 HE2 PHE 47 HE2 PHE 47 -2.702 23.922 -10.491 342 HZ PHE 47 HZ PHE 47 -0.381 24.743 -10.518 343 H GLY 48 H GLY 48 0.084 18.154 -8.405 344 HA2 GLY 48 1HA GLY 48 2.193 17.370 -7.948 345 HA3 GLY 48 2HA GLY 48 2.408 18.801 -6.956 346 H ASP 49 H ASP 49 -0.086 16.392 -6.380 347 HA ASP 49 HA ASP 49 1.034 15.911 -3.736 348 HB2 ASP 49 1HB ASP 49 -1.445 16.390 -4.216 349 HB3 ASP 49 2HB ASP 49 -1.524 14.737 -4.819 350 H ASP 50 H ASP 50 0.391 14.179 -6.736 351 HA ASP 50 HA ASP 50 0.943 11.577 -5.744 352 HB2 ASP 50 1HB ASP 50 -0.089 12.571 -8.072 353 HB3 ASP 50 2HB ASP 50 1.510 12.051 -8.594 354 H GLY 51 H GLY 51 2.968 14.172 -6.925 355 HA2 GLY 51 1HA GLY 51 5.317 13.472 -5.809 356 HA3 GLY 51 2HA GLY 51 5.294 12.476 -7.256 357 H GLU 52 H GLU 52 5.997 15.533 -5.962 358 HA GLU 52 HA GLU 52 5.901 16.954 -8.484 359 HB2 GLU 52 1HB GLU 52 5.786 17.719 -5.826 360 HB3 GLU 52 2HB GLU 52 7.389 18.239 -6.321 361 HG2 GLU 52 1HG GLU 52 6.559 19.699 -7.922 362 HG3 GLU 52 2HG GLU 52 4.989 18.898 -7.978 363 H LEU 53 H LEU 53 7.341 15.410 -9.570 364 HA LEU 53 HA LEU 53 9.307 14.945 -10.597 365 HB2 LEU 53 1HB LEU 53 9.603 17.408 -10.586 366 HB3 LEU 53 2HB LEU 53 10.434 17.279 -9.048 367 HG LEU 53 HG LEU 53 11.499 15.683 -11.325 368 HD11 LEU 53 1HD1 LEU 53 12.185 18.595 -11.046 369 HD12 LEU 53 2HD1 LEU 53 10.964 18.014 -12.179 370 HD13 LEU 53 3HD1 LEU 53 12.636 17.475 -12.333 371 HD21 LEU 53 3HD2 LEU 53 12.462 16.885 -8.796 372 HD22 LEU 53 1HD2 LEU 53 13.614 16.782 -10.128 373 HD23 LEU 53 2HD2 LEU 53 12.829 15.321 -9.524 374 H TYR 54 H TYR 54 10.473 16.092 -7.414 375 HA TYR 54 HA TYR 54 11.598 13.400 -6.985 376 HB2 TYR 54 1HB TYR 54 13.147 15.513 -7.304 377 HB3 TYR 54 2HB TYR 54 12.737 15.809 -5.619 378 HD1 TYR 54 HD1 TYR 54 12.914 13.507 -4.147 379 HD2 TYR 54 HD2 TYR 54 15.144 14.424 -7.653 380 HE1 TYR 54 HE1 TYR 54 14.660 11.928 -3.445 381 HE2 TYR 54 HE2 TYR 54 16.897 12.846 -6.957 382 HH TYR 54 HH TYR 54 16.645 10.529 -5.083 383 H ASP 55 H ASP 55 10.789 12.317 -5.314 384 HA ASP 55 HA ASP 55 9.964 13.720 -2.908 385 HB2 ASP 55 1HB ASP 55 8.029 13.224 -4.770 386 HB3 ASP 55 2HB ASP 55 7.938 11.768 -3.786 387 H HIS 56 H HIS 56 10.030 12.477 -1.069 388 HA HIS 56 HA HIS 56 11.307 9.859 -1.370 389 HB2 HIS 56 1HB HIS 56 11.100 11.779 0.951 390 HB3 HIS 56 2HB HIS 56 11.750 10.152 1.118 391 HD1 HIS 56 HD1 HIS 56 12.417 13.026 -1.312 392 HD2 HIS 56 HD2 HIS 56 14.440 10.272 1.053 393 HE1 HIS 56 HE1 HIS 56 14.860 13.489 -1.682 394 HE2 HIS 56 HE2 HIS 56 16.065 11.760 -0.303 395 H ILE 57 H ILE 57 10.514 7.994 -0.405 396 HA ILE 57 HA ILE 57 8.055 8.077 1.127 397 HB ILE 57 HB ILE 57 7.022 6.311 -0.411 398 HG12 ILE 57 1HG1 ILE 57 8.720 7.629 -2.527 399 HG13 ILE 57 2HG1 ILE 57 9.202 6.122 -1.757 400 HG21 ILE 57 1HG2 ILE 57 7.046 8.904 -1.849 401 HG22 ILE 57 2HG2 ILE 57 6.533 8.904 -0.163 402 HG23 ILE 57 3HG2 ILE 57 5.689 7.899 -1.340 403 HD11 ILE 57 3HD1 ILE 57 7.426 6.528 -3.933 404 HD12 ILE 57 1HD1 ILE 57 6.532 5.803 -2.598 405 HD13 ILE 57 2HD1 ILE 57 7.980 5.014 -3.220 406 H ASN 58 H ASN 58 8.190 6.596 2.688 407 HA ASN 58 HA ASN 58 10.165 4.454 2.395 408 HB2 ASN 58 1HB ASN 58 8.841 5.669 4.817 409 HB3 ASN 58 2HB ASN 58 9.824 4.211 4.897 410 HD21 ASN 58 2HD2 ASN 58 12.019 4.367 4.793 411 HD22 ASN 58 1HD2 ASN 58 12.870 5.868 4.754 412 H VAL 59 H VAL 59 9.640 2.345 2.413 413 HA VAL 59 HA VAL 59 6.903 1.541 3.081 414 HB VAL 59 HB VAL 59 6.950 1.926 0.646 415 HG11 VAL 59 1HG1 VAL 59 9.195 -0.071 0.732 416 HG12 VAL 59 2HG1 VAL 59 9.191 1.550 0.036 417 HG13 VAL 59 3HG1 VAL 59 8.274 0.256 -0.735 418 HG21 VAL 59 3HG2 VAL 59 6.779 -1.016 1.286 419 HG22 VAL 59 1HG2 VAL 59 5.954 -0.156 -0.012 420 HG23 VAL 59 2HG2 VAL 59 5.523 0.163 1.667 421 H LEU 60 H LEU 60 6.658 -0.717 3.548 422 HA LEU 60 HA LEU 60 9.173 -2.189 3.944 423 HB2 LEU 60 1HB LEU 60 7.092 -1.485 5.954 424 HB3 LEU 60 2HB LEU 60 7.834 -3.069 6.069 425 HG LEU 60 HG LEU 60 10.062 -1.597 5.882 426 HD11 LEU 60 1HD1 LEU 60 9.923 0.547 6.566 427 HD12 LEU 60 2HD1 LEU 60 8.559 0.234 7.640 428 HD13 LEU 60 3HD1 LEU 60 8.291 0.422 5.907 429 HD21 LEU 60 3HD2 LEU 60 10.060 -2.960 7.693 430 HD22 LEU 60 1HD2 LEU 60 8.413 -2.533 8.155 431 HD23 LEU 60 2HD2 LEU 60 9.744 -1.438 8.528 432 H ARG 61 H ARG 61 9.117 -4.278 3.339 433 HA ARG 61 HA ARG 61 6.561 -5.666 3.101 434 HB2 ARG 61 1HB ARG 61 7.002 -4.533 0.907 435 HB3 ARG 61 2HB ARG 61 8.479 -5.474 0.769 436 HG2 ARG 61 1HG ARG 61 6.194 -7.165 1.289 437 HG3 ARG 61 2HG ARG 61 5.960 -6.172 -0.151 438 HD2 ARG 61 1HD ARG 61 8.502 -6.997 -0.538 439 HD3 ARG 61 2HD ARG 61 7.857 -8.376 0.353 440 HE ARG 61 HE ARG 61 7.327 -7.709 -2.347 441 HH11 ARG 61 1HH1 ARG 61 5.785 -9.026 0.504 442 HH12 ARG 61 2HH1 ARG 61 4.617 -9.933 -0.393 443 HH21 ARG 61 1HH2 ARG 61 5.783 -8.911 -3.526 444 HH22 ARG 61 2HH2 ARG 61 4.616 -9.872 -2.681 445 H ASN 62 H ASN 62 7.416 -6.885 4.857 446 HA ASN 62 HA ASN 62 8.508 -8.604 5.866 447 HB2 ASN 62 1HB ASN 62 7.450 -9.634 3.687 448 HB3 ASN 62 2HB ASN 62 9.134 -9.815 3.202 449 HD21 ASN 62 2HD2 ASN 62 6.839 -10.576 5.778 450 HD22 ASN 62 1HD2 ASN 62 7.622 -12.033 6.283 451 H GLY 63 H GLY 63 10.166 -6.276 4.685 452 HA2 GLY 63 1HA GLY 63 12.390 -5.703 5.028 453 HA3 GLY 63 2HA GLY 63 12.736 -7.384 5.404 454 H GLU 64 H GLU 64 11.002 -6.651 2.515 455 HA GLU 64 HA GLU 64 13.413 -6.870 0.879 456 HB2 GLU 64 1HB GLU 64 12.144 -9.101 1.285 457 HB3 GLU 64 2HB GLU 64 10.958 -8.430 0.178 458 HG2 GLU 64 1HG GLU 64 12.224 -8.829 -1.614 459 HG3 GLU 64 2HG GLU 64 13.691 -8.258 -0.819 460 H ALA 65 H ALA 65 12.908 -6.445 -1.458 461 HA ALA 65 HA ALA 65 11.525 -3.972 -1.696 462 HB1 ALA 65 3HB ALA 65 13.409 -5.443 -3.228 463 HB2 ALA 65 1HB ALA 65 12.892 -3.769 -3.434 464 HB3 ALA 65 2HB ALA 65 12.038 -5.064 -4.272 465 H ALA 66 H ALA 66 9.473 -3.589 -2.215 466 HA ALA 66 HA ALA 66 7.537 -5.604 -2.361 467 HB1 ALA 66 3HB ALA 66 6.253 -3.501 -3.491 468 HB2 ALA 66 1HB ALA 66 7.573 -2.684 -2.651 469 HB3 ALA 66 2HB ALA 66 6.470 -3.729 -1.754 470 H ALA 67 H ALA 67 6.079 -6.133 -4.117 471 HA ALA 67 HA ALA 67 7.449 -6.131 -6.724 472 HB1 ALA 67 3HB ALA 67 7.252 -8.362 -6.043 473 HB2 ALA 67 1HB ALA 67 5.912 -8.131 -7.164 474 HB3 ALA 67 2HB ALA 67 5.618 -8.125 -5.426 475 H LEU 68 H LEU 68 5.783 -6.490 -8.582 476 HA LEU 68 HA LEU 68 3.289 -5.056 -8.193 477 HB2 LEU 68 1HB LEU 68 4.804 -3.242 -8.581 478 HB3 LEU 68 2HB LEU 68 5.500 -4.054 -9.958 479 HG LEU 68 HG LEU 68 2.637 -3.572 -10.278 480 HD11 LEU 68 1HD1 LEU 68 2.582 -1.515 -9.398 481 HD12 LEU 68 2HD1 LEU 68 3.522 -1.037 -10.811 482 HD13 LEU 68 3HD1 LEU 68 4.340 -1.411 -9.295 483 HD21 LEU 68 3HD2 LEU 68 4.185 -2.239 -12.217 484 HD22 LEU 68 1HD2 LEU 68 3.344 -3.781 -12.373 485 HD23 LEU 68 2HD2 LEU 68 5.026 -3.744 -11.847 486 H GLY 69 H GLY 69 4.363 -7.776 -9.118 487 HA2 GLY 69 1HA GLY 69 2.540 -7.989 -11.394 488 HA3 GLY 69 2HA GLY 69 4.204 -8.477 -11.661 489 H GLU 70 H GLU 70 2.907 -9.068 -8.507 490 HA GLU 70 HA GLU 70 1.614 -11.499 -8.864 491 HB2 GLU 70 1HB GLU 70 4.477 -11.701 -9.188 492 HB3 GLU 70 2HB GLU 70 3.953 -12.638 -7.797 493 HG2 GLU 70 1HG GLU 70 2.658 -14.062 -9.069 494 HG3 GLU 70 2HG GLU 70 2.512 -12.910 -10.397 495 H ALA 71 H ALA 71 0.445 -10.475 -7.161 496 HA ALA 71 HA ALA 71 1.729 -10.073 -4.600 497 HB1 ALA 71 3HB ALA 71 0.088 -8.494 -4.896 498 HB2 ALA 71 1HB ALA 71 -0.773 -9.692 -3.934 499 HB3 ALA 71 2HB ALA 71 -1.012 -9.624 -5.679 500 H THR 72 H THR 72 1.000 -12.839 -6.077 501 HA THR 72 HA THR 72 -0.447 -14.166 -3.962 502 HB THR 72 HB THR 72 -0.916 -14.860 -6.217 503 HG1 THR 72 HG1 THR 72 0.647 -16.882 -4.987 504 HG21 THR 72 3HG2 THR 72 0.847 -16.112 -7.523 505 HG22 THR 72 1HG2 THR 72 2.033 -15.354 -6.458 506 HG23 THR 72 2HG2 THR 72 0.995 -14.355 -7.476 507 H ALA 73 H ALA 73 2.812 -13.409 -4.615 508 HA ALA 73 HA ALA 73 3.752 -15.566 -2.863 509 HB1 ALA 73 3HB ALA 73 5.267 -13.876 -4.847 510 HB2 ALA 73 1HB ALA 73 4.871 -15.587 -4.992 511 HB3 ALA 73 2HB ALA 73 6.007 -15.048 -3.758 512 H ALA 74 H ALA 74 4.540 -15.107 -0.916 513 HA ALA 74 HA ALA 74 5.096 -13.968 0.961 514 HB1 ALA 74 3HB ALA 74 7.113 -13.306 0.070 515 HB2 ALA 74 1HB ALA 74 6.393 -11.754 0.495 516 HB3 ALA 74 2HB ALA 74 6.359 -12.314 -1.177 517 H GLY 75 H GLY 75 2.462 -13.381 -0.429 518 HA2 GLY 75 1HA GLY 75 0.620 -12.113 0.086 519 HA3 GLY 75 2HA GLY 75 1.563 -11.376 1.373 520 H ASP 76 H ASP 76 1.422 -9.251 1.158 521 HA ASP 76 HA ASP 76 1.852 -8.094 -1.513 522 HB2 ASP 76 1HB ASP 76 -0.200 -7.510 0.536 523 HB3 ASP 76 2HB ASP 76 0.511 -6.111 -0.263 524 H GLU 77 H GLU 77 1.748 -6.769 1.783 525 HA GLU 77 HA GLU 77 4.564 -6.259 1.852 526 HB2 GLU 77 1HB GLU 77 4.424 -3.801 1.886 527 HB3 GLU 77 2HB GLU 77 3.932 -4.468 0.339 528 HG2 GLU 77 1HG GLU 77 1.909 -3.569 0.483 529 HG3 GLU 77 2HG GLU 77 1.688 -4.131 2.137 530 H LEU 78 H LEU 78 4.664 -4.202 3.710 531 HA LEU 78 HA LEU 78 3.223 -5.394 5.987 532 HB2 LEU 78 1HB LEU 78 5.974 -4.329 5.657 533 HB3 LEU 78 2HB LEU 78 5.188 -4.024 7.193 534 HG LEU 78 HG LEU 78 5.707 -6.735 5.971 535 HD11 LEU 78 1HD1 LEU 78 6.808 -5.966 8.597 536 HD12 LEU 78 2HD1 LEU 78 7.515 -5.167 7.193 537 HD13 LEU 78 3HD1 LEU 78 7.519 -6.926 7.301 538 HD21 LEU 78 3HD2 LEU 78 3.850 -7.241 7.164 539 HD22 LEU 78 1HD2 LEU 78 4.011 -5.839 8.222 540 HD23 LEU 78 2HD2 LEU 78 5.006 -7.270 8.496 541 H ALA 79 H ALA 79 4.609 -2.279 4.919 542 HA ALA 79 HA ALA 79 2.179 -0.898 5.672 543 HB1 ALA 79 3HB ALA 79 3.258 -0.923 7.808 544 HB2 ALA 79 1HB ALA 79 3.395 0.710 7.153 545 HB3 ALA 79 2HB ALA 79 4.781 -0.379 7.106 546 H LEU 80 H LEU 80 2.305 1.461 5.114 547 HA LEU 80 HA LEU 80 4.350 2.109 3.123 548 HB2 LEU 80 1HB LEU 80 2.115 1.151 2.153 549 HB3 LEU 80 2HB LEU 80 1.481 2.740 2.536 550 HG LEU 80 HG LEU 80 3.813 3.307 1.156 551 HD11 LEU 80 1HD1 LEU 80 2.504 1.423 -0.678 552 HD12 LEU 80 2HD1 LEU 80 3.453 0.688 0.613 553 HD13 LEU 80 3HD1 LEU 80 4.208 1.835 -0.491 554 HD21 LEU 80 3HD2 LEU 80 2.322 4.635 0.192 555 HD22 LEU 80 1HD2 LEU 80 1.011 3.695 0.901 556 HD23 LEU 80 2HD2 LEU 80 1.654 3.257 -0.682 557 H PHE 81 H PHE 81 5.231 3.940 3.767 558 HA PHE 81 HA PHE 81 3.586 5.927 5.172 559 HB2 PHE 81 1HB PHE 81 6.540 5.341 5.247 560 HB3 PHE 81 2HB PHE 81 5.874 6.844 5.873 561 HD1 PHE 81 HD2 PHE 81 4.968 3.220 6.111 562 HD2 PHE 81 HD1 PHE 81 5.705 6.884 8.147 563 HE1 PHE 81 HE2 PHE 81 4.489 2.119 8.258 564 HE2 PHE 81 HE1 PHE 81 5.228 5.790 10.296 565 HZ PHE 81 HZ PHE 81 4.617 3.405 10.355 566 HA PRO 82 HA PRO 82 4.084 8.177 1.277 567 HB2 PRO 82 1HB PRO 82 2.229 10.074 1.824 568 HB3 PRO 82 2HB PRO 82 1.798 8.448 1.283 569 HG2 PRO 82 1HG PRO 82 1.814 9.580 4.055 570 HG3 PRO 82 2HG PRO 82 0.600 8.549 3.276 571 HD2 PRO 82 1HD PRO 82 2.462 7.583 4.995 572 HD3 PRO 82 2HD PRO 82 1.808 6.628 3.652 573 HA PRO 83 HA PRO 83 6.634 11.611 2.434 574 HB2 PRO 83 1HB PRO 83 6.126 13.476 0.553 575 HB3 PRO 83 2HB PRO 83 6.954 11.960 0.177 576 HG2 PRO 83 1HG PRO 83 4.088 12.709 -0.248 577 HG3 PRO 83 2HG PRO 83 5.190 11.839 -1.329 578 HD2 PRO 83 1HD PRO 83 3.327 10.602 0.234 579 HD3 PRO 83 2HD PRO 83 4.845 9.836 -0.268 580 H VAL 84 H VAL 84 6.556 14.177 2.627 581 HA VAL 84 HA VAL 84 4.395 14.744 4.488 582 HB VAL 84 HB VAL 84 6.718 16.535 3.752 583 HG11 VAL 84 1HG1 VAL 84 4.754 16.512 6.033 584 HG12 VAL 84 2HG1 VAL 84 5.031 17.787 4.847 585 HG13 VAL 84 3HG1 VAL 84 6.257 17.436 6.065 586 HG21 VAL 84 3HG2 VAL 84 7.079 15.340 6.301 587 HG22 VAL 84 1HG2 VAL 84 8.090 15.185 4.864 588 HG23 VAL 84 2HG2 VAL 84 6.767 14.051 5.140 589 H SER 85 H SER 85 2.809 16.273 4.219 590 HA SER 85 HA SER 85 2.873 18.017 1.886 591 HB2 SER 85 1HB SER 85 1.775 15.879 1.178 592 HB3 SER 85 2HB SER 85 0.522 16.180 2.382 593 HG SER 85 HG SER 85 0.241 16.939 0.070 594 H GLY 86 H GLY 86 1.429 19.783 1.989 595 HA2 GLY 86 1HA GLY 86 0.338 20.276 4.689 596 HA3 GLY 86 2HA GLY 86 1.033 21.528 3.670 597 H GLY 87 H GLY 87 -0.967 22.698 3.981 598 HA2 GLY 87 1HA GLY 87 -2.874 23.507 2.915 599 HA3 GLY 87 2HA GLY 87 -2.865 22.079 1.891 Start of MODEL 17 1 H1 MET 1 1H MET 1 -1.339 -10.349 1.740 2 H2 MET 1 2H MET 1 -0.811 -8.813 2.283 3 H3 MET 1 3H MET 1 -2.469 -9.085 1.950 4 HA MET 1 HA MET 1 -2.597 -10.658 3.722 5 HB2 MET 1 1HB MET 1 0.266 -10.459 3.486 6 HB3 MET 1 2HB MET 1 -0.215 -10.086 5.135 7 HG2 MET 1 1HG MET 1 -1.685 -12.276 4.770 8 HG3 MET 1 2HG MET 1 -0.388 -12.624 3.630 9 HE1 MET 1 3HE MET 1 -0.804 -14.023 7.378 10 HE2 MET 1 1HE MET 1 0.250 -14.952 6.314 11 HE3 MET 1 2HE MET 1 -1.274 -14.307 5.703 12 H GLU 2 H GLU 2 -0.474 -7.800 4.139 13 HA GLU 2 HA GLU 2 -2.639 -6.480 5.589 14 HB2 GLU 2 1HB GLU 2 -0.944 -5.729 7.330 15 HB3 GLU 2 2HB GLU 2 -1.481 -7.401 7.422 16 HG2 GLU 2 1HG GLU 2 0.550 -8.209 6.557 17 HG3 GLU 2 2HG GLU 2 1.049 -6.607 6.020 18 H TRP 3 H TRP 3 -2.425 -4.210 5.777 19 HA TRP 3 HA TRP 3 -0.334 -2.877 4.245 20 HB2 TRP 3 1HB TRP 3 -3.297 -2.605 3.652 21 HB3 TRP 3 2HB TRP 3 -2.057 -1.533 3.015 22 HD1 TRP 3 HD TRP 3 -2.864 -5.339 2.912 23 HE1 TRP 3 HE1 TRP 3 -2.231 -6.212 0.577 24 HE3 TRP 3 HE3 TRP 3 -0.959 -1.031 0.921 25 HZ2 TRP 3 HZ2 TRP 3 -1.080 -5.210 -1.798 26 HZ3 TRP 3 HZ3 TRP 3 -0.116 -1.074 -1.391 27 HH2 TRP 3 HH TRP 3 -0.176 -3.120 -2.719 28 H LYS 4 H LYS 4 0.019 -0.757 4.950 29 HA LYS 4 HA LYS 4 -1.779 0.269 7.038 30 HB2 LYS 4 1HB LYS 4 1.234 0.136 7.241 31 HB3 LYS 4 2HB LYS 4 0.185 0.975 8.372 32 HG2 LYS 4 1HG LYS 4 -0.796 -1.077 9.096 33 HG3 LYS 4 2HG LYS 4 0.021 -1.978 7.818 34 HD2 LYS 4 1HD LYS 4 1.917 -2.142 8.997 35 HD3 LYS 4 2HD LYS 4 1.856 -0.448 9.491 36 HE2 LYS 4 1HE LYS 4 1.567 -1.411 11.530 37 HE3 LYS 4 2HE LYS 4 -0.120 -1.371 11.014 38 HZ1 LYS 4 3HZ LYS 4 0.748 -3.541 11.951 39 HZ2 LYS 4 1HZ LYS 4 1.614 -3.718 10.509 40 HZ3 LYS 4 2HZ LYS 4 -0.075 -3.636 10.478 41 H LEU 5 H LEU 5 -2.147 2.440 6.954 42 HA LEU 5 HA LEU 5 -0.457 4.020 5.124 43 HB2 LEU 5 1HB LEU 5 -2.804 3.244 4.271 44 HB3 LEU 5 2HB LEU 5 -3.400 4.524 5.309 45 HG LEU 5 HG LEU 5 -1.639 5.979 3.989 46 HD11 LEU 5 1HD1 LEU 5 -1.896 5.067 1.523 47 HD12 LEU 5 2HD1 LEU 5 -1.946 3.515 2.360 48 HD13 LEU 5 3HD1 LEU 5 -0.553 4.578 2.557 49 HD21 LEU 5 3HD2 LEU 5 -3.584 6.076 2.142 50 HD22 LEU 5 1HD2 LEU 5 -3.734 6.792 3.746 51 HD23 LEU 5 2HD2 LEU 5 -4.431 5.205 3.419 52 H PHE 6 H PHE 6 0.127 5.997 5.821 53 HA PHE 6 HA PHE 6 -0.484 6.696 8.552 54 HB2 PHE 6 1HB PHE 6 1.745 7.004 7.029 55 HB3 PHE 6 2HB PHE 6 1.048 8.617 6.909 56 HD1 PHE 6 HD1 PHE 6 1.635 6.037 9.545 57 HD2 PHE 6 HD2 PHE 6 1.779 10.148 8.452 58 HE1 PHE 6 HE1 PHE 6 2.550 6.589 11.760 59 HE2 PHE 6 HE2 PHE 6 2.695 10.707 10.666 60 HZ PHE 6 HZ PHE 6 3.083 8.927 12.323 61 H ALA 7 H ALA 7 -0.756 9.215 8.936 62 HA ALA 7 HA ALA 7 -3.343 9.892 8.054 63 HB1 ALA 7 3HB ALA 7 -2.364 12.260 8.974 64 HB2 ALA 7 1HB ALA 7 -1.314 11.098 9.783 65 HB3 ALA 7 2HB ALA 7 -3.062 10.992 9.981 66 H ASP 8 H ASP 8 -0.310 10.340 6.525 67 HA ASP 8 HA ASP 8 -0.642 12.731 5.143 68 HB2 ASP 8 1HB ASP 8 0.674 10.213 4.096 69 HB3 ASP 8 2HB ASP 8 0.955 11.852 3.519 70 H LEU 9 H LEU 9 -2.104 9.603 4.603 71 HA LEU 9 HA LEU 9 -3.558 10.708 2.288 72 HB2 LEU 9 1HB LEU 9 -2.308 8.070 2.760 73 HB3 LEU 9 2HB LEU 9 -3.860 8.061 1.946 74 HG LEU 9 HG LEU 9 -2.715 9.875 0.409 75 HD11 LEU 9 1HD1 LEU 9 -0.275 8.266 0.987 76 HD12 LEU 9 2HD1 LEU 9 -0.643 9.657 2.006 77 HD13 LEU 9 3HD1 LEU 9 -0.430 9.869 0.268 78 HD21 LEU 9 3HD2 LEU 9 -1.602 7.667 -0.729 79 HD22 LEU 9 1HD2 LEU 9 -3.301 8.122 -0.861 80 HD23 LEU 9 2HD2 LEU 9 -2.796 6.944 0.349 81 H ALA 10 H ALA 10 -3.783 8.769 5.240 82 HA ALA 10 HA ALA 10 -6.497 8.065 5.048 83 HB1 ALA 10 3HB ALA 10 -6.360 7.436 7.319 84 HB2 ALA 10 1HB ALA 10 -5.042 8.566 7.630 85 HB3 ALA 10 2HB ALA 10 -4.762 7.136 6.636 86 H GLU 11 H GLU 11 -5.079 11.129 5.615 87 HA GLU 11 HA GLU 11 -7.112 12.238 7.264 88 HB2 GLU 11 1HB GLU 11 -4.656 13.124 6.056 89 HB3 GLU 11 2HB GLU 11 -5.907 14.331 5.811 90 HG2 GLU 11 1HG GLU 11 -4.599 14.739 7.836 91 HG3 GLU 11 2HG GLU 11 -6.301 14.466 8.190 92 H VAL 12 H VAL 12 -6.854 11.788 3.800 93 HA VAL 12 HA VAL 12 -9.093 13.609 3.339 94 HB VAL 12 HB VAL 12 -7.667 12.029 1.219 95 HG11 VAL 12 1HG1 VAL 12 -8.437 13.926 -0.200 96 HG12 VAL 12 2HG1 VAL 12 -9.339 14.536 1.189 97 HG13 VAL 12 3HG1 VAL 12 -9.746 12.969 0.490 98 HG21 VAL 12 3HG2 VAL 12 -6.970 14.821 2.123 99 HG22 VAL 12 1HG2 VAL 12 -6.177 13.876 0.863 100 HG23 VAL 12 2HG2 VAL 12 -6.048 13.380 2.550 101 H ALA 13 H ALA 13 -8.298 10.169 3.076 102 HA ALA 13 HA ALA 13 -11.008 9.570 2.177 103 HB1 ALA 13 3HB ALA 13 -10.249 7.543 1.455 104 HB2 ALA 13 1HB ALA 13 -9.041 7.410 2.732 105 HB3 ALA 13 2HB ALA 13 -8.756 8.474 1.355 106 H GLY 14 H GLY 14 -8.880 8.898 4.934 107 HA2 GLY 14 1HA GLY 14 -9.702 8.803 7.171 108 HA3 GLY 14 2HA GLY 14 -11.268 8.312 6.545 109 H SER 15 H SER 15 -8.412 6.802 5.273 110 HA SER 15 HA SER 15 -8.874 4.447 6.969 111 HB2 SER 15 1HB SER 15 -8.192 3.208 4.699 112 HB3 SER 15 2HB SER 15 -9.869 3.598 5.083 113 HG SER 15 HG SER 15 -9.836 4.680 3.287 114 H ARG 16 H ARG 16 -7.079 3.397 7.664 115 HA ARG 16 HA ARG 16 -4.494 4.432 6.737 116 HB2 ARG 16 1HB ARG 16 -3.907 3.302 9.149 117 HB3 ARG 16 2HB ARG 16 -4.245 5.007 8.903 118 HG2 ARG 16 1HG ARG 16 -6.646 4.516 9.426 119 HG3 ARG 16 2HG ARG 16 -6.145 2.885 9.874 120 HD2 ARG 16 1HD ARG 16 -5.725 3.658 11.916 121 HD3 ARG 16 2HD ARG 16 -4.389 4.578 11.228 122 HE ARG 16 HE ARG 16 -7.025 5.583 11.958 123 HH11 ARG 16 1HH1 ARG 16 -3.913 6.230 10.476 124 HH12 ARG 16 2HH1 ARG 16 -4.093 7.949 10.563 125 HH21 ARG 16 1HH2 ARG 16 -7.255 7.848 12.055 126 HH22 ARG 16 2HH2 ARG 16 -5.989 8.867 11.459 127 H THR 17 H THR 17 -5.234 1.565 8.710 128 HA THR 17 HA THR 17 -3.624 -0.015 6.867 129 HB THR 17 HB THR 17 -3.377 -1.604 8.574 130 HG1 THR 17 HG1 THR 17 -5.679 -0.451 9.750 131 HG21 THR 17 3HG2 THR 17 -3.690 0.826 10.285 132 HG22 THR 17 1HG2 THR 17 -2.382 0.684 9.112 133 HG23 THR 17 2HG2 THR 17 -2.526 -0.490 10.420 134 H VAL 18 H VAL 18 -4.310 -1.957 5.931 135 HA VAL 18 HA VAL 18 -7.164 -2.594 6.037 136 HB VAL 18 HB VAL 18 -5.764 -2.363 3.380 137 HG11 VAL 18 1HG1 VAL 18 -8.395 -2.038 2.891 138 HG12 VAL 18 2HG1 VAL 18 -8.466 -3.083 4.308 139 HG13 VAL 18 3HG1 VAL 18 -7.580 -3.601 2.875 140 HG21 VAL 18 3HG2 VAL 18 -6.939 -0.240 3.033 141 HG22 VAL 18 1HG2 VAL 18 -5.793 -0.141 4.371 142 HG23 VAL 18 2HG2 VAL 18 -7.519 -0.293 4.699 143 H ARG 19 H ARG 19 -7.322 -4.703 6.462 144 HA ARG 19 HA ARG 19 -5.100 -6.486 5.960 145 HB2 ARG 19 1HB ARG 19 -7.833 -7.021 7.143 146 HB3 ARG 19 2HB ARG 19 -6.514 -8.181 7.082 147 HG2 ARG 19 1HG ARG 19 -5.745 -5.663 8.321 148 HG3 ARG 19 2HG ARG 19 -7.073 -6.472 9.156 149 HD2 ARG 19 1HD ARG 19 -5.313 -8.526 8.613 150 HD3 ARG 19 2HD ARG 19 -4.249 -7.175 9.001 151 HE ARG 19 HE ARG 19 -5.969 -8.603 10.803 152 HH11 ARG 19 1HH1 ARG 19 -4.336 -5.557 10.232 153 HH12 ARG 19 2HH1 ARG 19 -4.297 -5.124 11.907 154 HH21 ARG 19 1HH2 ARG 19 -5.920 -8.022 13.009 155 HH22 ARG 19 2HH2 ARG 19 -5.197 -6.523 13.484 156 H VAL 20 H VAL 20 -5.151 -8.333 4.624 157 HA VAL 20 HA VAL 20 -7.088 -8.130 2.421 158 HB VAL 20 HB VAL 20 -4.465 -9.629 2.446 159 HG11 VAL 20 1HG1 VAL 20 -4.717 -9.727 0.042 160 HG12 VAL 20 2HG1 VAL 20 -6.226 -8.817 0.134 161 HG13 VAL 20 3HG1 VAL 20 -6.131 -10.442 0.816 162 HG21 VAL 20 3HG2 VAL 20 -5.125 -6.800 1.839 163 HG22 VAL 20 1HG2 VAL 20 -3.955 -7.611 0.800 164 HG23 VAL 20 2HG2 VAL 20 -3.664 -7.498 2.536 165 H ASP 21 H ASP 21 -8.683 -9.543 2.337 166 HA ASP 21 HA ASP 21 -8.386 -12.123 3.720 167 HB2 ASP 21 1HB ASP 21 -10.638 -10.232 3.391 168 HB3 ASP 21 2HB ASP 21 -11.051 -11.941 3.288 169 H VAL 22 H VAL 22 -8.692 -10.695 0.625 170 HA VAL 22 HA VAL 22 -9.869 -13.031 -0.628 171 HB VAL 22 HB VAL 22 -8.673 -10.614 -1.990 172 HG11 VAL 22 1HG1 VAL 22 -10.474 -11.345 -3.709 173 HG12 VAL 22 2HG1 VAL 22 -10.387 -12.898 -2.879 174 HG13 VAL 22 3HG1 VAL 22 -8.945 -12.217 -3.635 175 HG21 VAL 22 3HG2 VAL 22 -10.419 -9.927 -0.402 176 HG22 VAL 22 1HG2 VAL 22 -11.543 -11.051 -1.165 177 HG23 VAL 22 2HG2 VAL 22 -10.915 -9.678 -2.076 178 H ASP 23 H ASP 23 -8.812 -14.332 -2.192 179 HA ASP 23 HA ASP 23 -6.201 -15.111 -1.531 180 HB2 ASP 23 1HB ASP 23 -8.049 -15.751 -3.802 181 HB3 ASP 23 2HB ASP 23 -6.377 -16.300 -3.863 182 H GLY 24 H GLY 24 -4.447 -15.343 -3.304 183 HA2 GLY 24 1HA GLY 24 -3.618 -12.683 -3.995 184 HA3 GLY 24 2HA GLY 24 -2.733 -14.167 -4.306 185 H ASP 25 H ASP 25 -5.239 -12.013 -5.506 186 HA ASP 25 HA ASP 25 -5.082 -13.320 -8.136 187 HB2 ASP 25 1HB ASP 25 -7.172 -12.059 -8.663 188 HB3 ASP 25 2HB ASP 25 -7.347 -13.193 -7.329 189 H ALA 26 H ALA 26 -4.949 -10.117 -6.586 190 HA ALA 26 HA ALA 26 -3.984 -8.946 -9.086 191 HB1 ALA 26 3HB ALA 26 -4.734 -6.949 -8.347 192 HB2 ALA 26 1HB ALA 26 -4.217 -7.245 -6.687 193 HB3 ALA 26 2HB ALA 26 -5.717 -7.955 -7.283 194 H THR 27 H THR 27 -2.129 -7.372 -8.916 195 HA THR 27 HA THR 27 0.113 -8.712 -7.691 196 HB THR 27 HB THR 27 1.120 -6.358 -8.692 197 HG1 THR 27 HG1 THR 27 -0.823 -7.124 -10.577 198 HG21 THR 27 3HG2 THR 27 1.913 -8.649 -9.196 199 HG22 THR 27 1HG2 THR 27 1.859 -7.580 -10.597 200 HG23 THR 27 2HG2 THR 27 0.605 -8.798 -10.369 201 H VAL 28 H VAL 28 1.774 -7.420 -6.472 202 HA VAL 28 HA VAL 28 0.507 -6.167 -4.221 203 HB VAL 28 HB VAL 28 3.469 -6.410 -4.765 204 HG11 VAL 28 1HG1 VAL 28 3.101 -4.849 -3.027 205 HG12 VAL 28 2HG1 VAL 28 3.543 -6.364 -2.240 206 HG13 VAL 28 3HG1 VAL 28 1.855 -5.854 -2.287 207 HG21 VAL 28 3HG2 VAL 28 3.292 -8.415 -3.240 208 HG22 VAL 28 1HG2 VAL 28 2.621 -8.621 -4.858 209 HG23 VAL 28 2HG2 VAL 28 1.548 -8.344 -3.486 210 H GLY 29 H GLY 29 2.064 -5.116 -7.125 211 HA2 GLY 29 1HA GLY 29 2.498 -2.424 -6.131 212 HA3 GLY 29 2HA GLY 29 2.901 -3.018 -7.733 213 H ASP 30 H ASP 30 0.175 -4.209 -8.024 214 HA ASP 30 HA ASP 30 -1.083 -2.205 -9.463 215 HB2 ASP 30 1HB ASP 30 -1.628 -4.578 -9.716 216 HB3 ASP 30 2HB ASP 30 -2.337 -4.605 -8.105 217 H ALA 31 H ALA 31 -1.734 -3.262 -6.126 218 HA ALA 31 HA ALA 31 -3.701 -1.203 -5.705 219 HB1 ALA 31 3HB ALA 31 -4.049 -3.252 -4.543 220 HB2 ALA 31 1HB ALA 31 -3.640 -2.032 -3.337 221 HB3 ALA 31 2HB ALA 31 -2.427 -3.206 -3.849 222 H LEU 32 H LEU 32 -0.292 -1.709 -4.990 223 HA LEU 32 HA LEU 32 0.168 0.280 -3.119 224 HB2 LEU 32 1HB LEU 32 1.764 -1.479 -4.236 225 HB3 LEU 32 2HB LEU 32 2.117 -0.166 -5.346 226 HG LEU 32 HG LEU 32 2.291 0.602 -2.521 227 HD11 LEU 32 1HD1 LEU 32 3.970 -1.620 -3.624 228 HD12 LEU 32 2HD1 LEU 32 3.154 -1.510 -2.065 229 HD13 LEU 32 3HD1 LEU 32 4.587 -0.532 -2.382 230 HD21 LEU 32 3HD2 LEU 32 4.581 0.815 -4.370 231 HD22 LEU 32 1HD2 LEU 32 3.868 2.020 -3.300 232 HD23 LEU 32 2HD2 LEU 32 3.112 1.663 -4.852 233 H ASP 33 H ASP 33 0.600 0.573 -6.652 234 HA ASP 33 HA ASP 33 0.912 3.382 -6.635 235 HB2 ASP 33 1HB ASP 33 1.704 2.089 -8.516 236 HB3 ASP 33 2HB ASP 33 0.083 1.493 -8.846 237 H ALA 34 H ALA 34 -1.877 1.264 -6.909 238 HA ALA 34 HA ALA 34 -3.789 3.109 -7.754 239 HB1 ALA 34 3HB ALA 34 -4.179 0.748 -5.917 240 HB2 ALA 34 1HB ALA 34 -4.219 0.707 -7.681 241 HB3 ALA 34 2HB ALA 34 -5.453 1.599 -6.791 242 H LEU 35 H LEU 35 -3.018 2.092 -4.413 243 HA LEU 35 HA LEU 35 -4.686 4.039 -3.196 244 HB2 LEU 35 1HB LEU 35 -2.272 2.733 -1.950 245 HB3 LEU 35 2HB LEU 35 -3.646 3.432 -1.119 246 HG LEU 35 HG LEU 35 -3.542 0.854 -2.671 247 HD11 LEU 35 1HD1 LEU 35 -4.743 1.028 0.004 248 HD12 LEU 35 2HD1 LEU 35 -3.006 1.327 -0.074 249 HD13 LEU 35 3HD1 LEU 35 -3.668 -0.187 -0.687 250 HD21 LEU 35 3HD2 LEU 35 -5.821 2.629 -2.194 251 HD22 LEU 35 1HD2 LEU 35 -6.069 0.966 -1.665 252 HD23 LEU 35 2HD2 LEU 35 -5.632 1.301 -3.340 253 H VAL 36 H VAL 36 -1.488 4.179 -4.523 254 HA VAL 36 HA VAL 36 -0.680 6.522 -3.060 255 HB VAL 36 HB VAL 36 0.525 5.106 -5.434 256 HG11 VAL 36 1HG1 VAL 36 1.214 7.304 -5.801 257 HG12 VAL 36 2HG1 VAL 36 2.538 6.601 -4.872 258 HG13 VAL 36 3HG1 VAL 36 1.361 7.647 -4.077 259 HG21 VAL 36 3HG2 VAL 36 0.543 4.344 -2.863 260 HG22 VAL 36 1HG2 VAL 36 1.949 5.407 -2.862 261 HG23 VAL 36 2HG2 VAL 36 1.880 4.038 -3.970 262 H GLY 37 H GLY 37 -1.714 5.898 -6.437 263 HA2 GLY 37 1HA GLY 37 -2.202 8.809 -6.664 264 HA3 GLY 37 2HA GLY 37 -1.531 7.869 -7.980 265 H ALA 38 H ALA 38 -3.286 5.612 -7.714 266 HA ALA 38 HA ALA 38 -5.479 6.583 -9.250 267 HB1 ALA 38 3HB ALA 38 -5.955 4.402 -9.729 268 HB2 ALA 38 1HB ALA 38 -5.525 3.834 -8.118 269 HB3 ALA 38 2HB ALA 38 -4.258 4.258 -9.270 270 H HIS 39 H HIS 39 -5.093 6.728 -5.958 271 HA HIS 39 HA HIS 39 -8.001 6.690 -5.556 272 HB2 HIS 39 1HB HIS 39 -5.855 5.437 -3.880 273 HB3 HIS 39 2HB HIS 39 -7.324 6.030 -3.111 274 HD1 HIS 39 HD1 HIS 39 -5.983 3.052 -4.476 275 HD2 HIS 39 HD2 HIS 39 -9.722 4.853 -4.573 276 HE1 HIS 39 HE1 HIS 39 -7.592 1.218 -5.073 277 HE2 HIS 39 HE2 HIS 39 -9.836 2.354 -5.230 278 HA PRO 40 HA PRO 40 -6.012 10.863 -4.583 279 HB2 PRO 40 1HB PRO 40 -8.634 11.609 -5.771 280 HB3 PRO 40 2HB PRO 40 -7.043 12.341 -6.017 281 HG2 PRO 40 1HG PRO 40 -8.109 10.805 -7.895 282 HG3 PRO 40 2HG PRO 40 -6.381 10.685 -7.517 283 HD2 PRO 40 1HD PRO 40 -8.625 8.867 -6.729 284 HD3 PRO 40 2HD PRO 40 -6.971 8.465 -7.234 285 H ALA 41 H ALA 41 -8.940 9.161 -3.828 286 HA ALA 41 HA ALA 41 -10.289 10.924 -2.180 287 HB1 ALA 41 3HB ALA 41 -11.546 9.148 -1.540 288 HB2 ALA 41 1HB ALA 41 -10.145 8.111 -1.273 289 HB3 ALA 41 2HB ALA 41 -10.731 8.396 -2.912 290 H LEU 42 H LEU 42 -7.270 9.273 -1.588 291 HA LEU 42 HA LEU 42 -7.345 9.999 1.249 292 HB2 LEU 42 1HB LEU 42 -5.083 8.532 -0.047 293 HB3 LEU 42 2HB LEU 42 -5.629 8.472 1.615 294 HG LEU 42 HG LEU 42 -7.715 7.477 -0.085 295 HD11 LEU 42 1HD1 LEU 42 -5.187 5.883 -0.350 296 HD12 LEU 42 2HD1 LEU 42 -5.672 7.065 -1.564 297 HD13 LEU 42 3HD1 LEU 42 -6.715 5.689 -1.207 298 HD21 LEU 42 3HD2 LEU 42 -7.880 5.920 1.544 299 HD22 LEU 42 1HD2 LEU 42 -6.840 7.043 2.418 300 HD23 LEU 42 2HD2 LEU 42 -6.140 5.643 1.608 301 H GLU 43 H GLU 43 -5.928 10.965 -1.762 302 HA GLU 43 HA GLU 43 -3.901 12.592 -0.407 303 HB2 GLU 43 1HB GLU 43 -4.169 11.401 -3.075 304 HB3 GLU 43 2HB GLU 43 -3.580 13.057 -3.096 305 HG2 GLU 43 1HG GLU 43 -2.369 10.826 -1.479 306 HG3 GLU 43 2HG GLU 43 -1.780 11.372 -3.047 307 H SER 44 H SER 44 -3.577 14.834 -1.204 308 HA SER 44 HA SER 44 -6.176 16.168 -1.429 309 HB2 SER 44 1HB SER 44 -4.835 16.948 0.417 310 HB3 SER 44 2HB SER 44 -3.443 17.201 -0.636 311 HG SER 44 HG SER 44 -5.715 18.758 -0.278 312 H ARG 45 H ARG 45 -2.919 16.286 -2.898 313 HA ARG 45 HA ARG 45 -4.148 17.021 -5.438 314 HB2 ARG 45 1HB ARG 45 -3.177 19.028 -3.893 315 HB3 ARG 45 2HB ARG 45 -1.734 18.597 -4.797 316 HG2 ARG 45 1HG ARG 45 -2.590 20.145 -6.210 317 HG3 ARG 45 2HG ARG 45 -3.423 18.721 -6.835 318 HD2 ARG 45 1HD ARG 45 -4.876 19.915 -4.637 319 HD3 ARG 45 2HD ARG 45 -4.583 21.086 -5.921 320 HE ARG 45 HE ARG 45 -6.329 18.808 -6.014 321 HH11 ARG 45 1HH1 ARG 45 -4.424 21.022 -7.945 322 HH12 ARG 45 2HH1 ARG 45 -5.387 20.807 -9.366 323 HH21 ARG 45 1HH2 ARG 45 -7.594 18.524 -7.895 324 HH22 ARG 45 2HH2 ARG 45 -7.187 19.390 -9.339 325 H VAL 46 H VAL 46 -3.151 16.149 -7.164 326 HA VAL 46 HA VAL 46 -0.392 15.286 -7.040 327 HB VAL 46 HB VAL 46 -1.673 13.438 -5.973 328 HG11 VAL 46 1HG1 VAL 46 -2.900 13.106 -8.706 329 HG12 VAL 46 2HG1 VAL 46 -3.742 13.617 -7.243 330 HG13 VAL 46 3HG1 VAL 46 -3.075 11.988 -7.353 331 HG21 VAL 46 3HG2 VAL 46 0.064 12.242 -6.664 332 HG22 VAL 46 1HG2 VAL 46 0.254 13.283 -8.074 333 HG23 VAL 46 2HG2 VAL 46 -0.806 11.876 -8.154 334 H PHE 47 H PHE 47 -1.984 17.132 -8.637 335 HA PHE 47 HA PHE 47 -1.566 15.929 -11.294 336 HB2 PHE 47 1HB PHE 47 -3.930 17.189 -10.194 337 HB3 PHE 47 2HB PHE 47 -3.369 18.055 -11.620 338 HD1 PHE 47 HD2 PHE 47 -3.424 14.422 -10.755 339 HD2 PHE 47 HD1 PHE 47 -4.705 17.505 -13.397 340 HE1 PHE 47 HE2 PHE 47 -4.495 12.739 -12.197 341 HE2 PHE 47 HE1 PHE 47 -5.778 15.828 -14.841 342 HZ PHE 47 HZ PHE 47 -5.673 13.442 -14.242 343 H GLY 48 H GLY 48 -2.261 19.245 -10.186 344 HA2 GLY 48 1HA GLY 48 0.292 20.078 -11.423 345 HA3 GLY 48 2HA GLY 48 -1.190 21.009 -11.592 346 H ASP 49 H ASP 49 1.079 19.754 -9.167 347 HA ASP 49 HA ASP 49 0.179 21.351 -7.032 348 HB2 ASP 49 1HB ASP 49 2.402 19.550 -7.558 349 HB3 ASP 49 2HB ASP 49 2.888 20.915 -6.557 350 H ASP 50 H ASP 50 1.594 23.024 -5.935 351 HA ASP 50 HA ASP 50 2.320 25.039 -7.928 352 HB2 ASP 50 1HB ASP 50 0.759 25.259 -5.724 353 HB3 ASP 50 2HB ASP 50 2.308 25.772 -5.061 354 H GLY 51 H GLY 51 4.134 22.822 -7.344 355 HA2 GLY 51 1HA GLY 51 6.577 23.708 -7.569 356 HA3 GLY 51 2HA GLY 51 6.311 24.141 -5.888 357 H GLU 52 H GLU 52 5.701 21.263 -7.929 358 HA GLU 52 HA GLU 52 7.516 19.657 -6.411 359 HB2 GLU 52 1HB GLU 52 5.341 19.901 -5.004 360 HB3 GLU 52 2HB GLU 52 4.653 18.786 -6.175 361 HG2 GLU 52 1HG GLU 52 5.935 17.030 -5.466 362 HG3 GLU 52 2HG GLU 52 7.228 18.070 -4.873 363 H LEU 53 H LEU 53 8.214 17.987 -7.610 364 HA LEU 53 HA LEU 53 6.692 17.323 -10.044 365 HB2 LEU 53 1HB LEU 53 9.382 18.105 -9.716 366 HB3 LEU 53 2HB LEU 53 9.415 16.402 -10.136 367 HG LEU 53 HG LEU 53 7.826 18.373 -11.758 368 HD11 LEU 53 1HD1 LEU 53 10.134 19.191 -11.645 369 HD12 LEU 53 2HD1 LEU 53 9.718 18.607 -13.256 370 HD13 LEU 53 3HD1 LEU 53 10.712 17.617 -12.187 371 HD21 LEU 53 3HD2 LEU 53 8.891 15.598 -12.172 372 HD22 LEU 53 1HD2 LEU 53 8.434 16.626 -13.530 373 HD23 LEU 53 2HD2 LEU 53 7.233 16.183 -12.317 374 H TYR 54 H TYR 54 8.535 15.969 -7.338 375 HA TYR 54 HA TYR 54 7.243 13.381 -7.865 376 HB2 TYR 54 1HB TYR 54 9.909 13.775 -8.293 377 HB3 TYR 54 2HB TYR 54 9.910 13.235 -6.618 378 HD1 TYR 54 HD1 TYR 54 8.025 11.168 -6.367 379 HD2 TYR 54 HD2 TYR 54 10.430 12.080 -9.758 380 HE1 TYR 54 HE1 TYR 54 7.839 8.837 -7.118 381 HE2 TYR 54 HE2 TYR 54 10.249 9.749 -10.518 382 HH TYR 54 HH TYR 54 9.168 7.254 -8.569 383 H ASP 55 H ASP 55 6.370 12.387 -6.119 384 HA ASP 55 HA ASP 55 6.446 13.834 -3.588 385 HB2 ASP 55 1HB ASP 55 4.354 12.787 -4.893 386 HB3 ASP 55 2HB ASP 55 4.779 11.391 -3.910 387 H HIS 56 H HIS 56 6.409 12.434 -1.550 388 HA HIS 56 HA HIS 56 8.493 10.363 -1.785 389 HB2 HIS 56 1HB HIS 56 8.051 12.553 0.181 390 HB3 HIS 56 2HB HIS 56 8.710 11.039 0.789 391 HD1 HIS 56 HD1 HIS 56 9.491 13.193 -2.266 392 HD2 HIS 56 HD2 HIS 56 11.390 11.236 0.870 393 HE1 HIS 56 HE1 HIS 56 11.948 13.618 -2.596 394 HE2 HIS 56 HE2 HIS 56 13.082 12.361 -0.729 395 H ILE 57 H ILE 57 7.637 8.392 -1.596 396 HA ILE 57 HA ILE 57 5.969 7.778 0.701 397 HB ILE 57 HB ILE 57 5.030 6.831 -1.994 398 HG12 ILE 57 1HG1 ILE 57 4.049 9.278 -0.502 399 HG13 ILE 57 2HG1 ILE 57 4.916 9.285 -2.035 400 HG21 ILE 57 1HG2 ILE 57 3.218 7.195 0.315 401 HG22 ILE 57 2HG2 ILE 57 4.419 5.911 0.439 402 HG23 ILE 57 3HG2 ILE 57 3.270 5.918 -0.899 403 HD11 ILE 57 3HD1 ILE 57 3.021 7.985 -3.010 404 HD12 ILE 57 1HD1 ILE 57 2.615 9.622 -2.494 405 HD13 ILE 57 2HD1 ILE 57 2.151 8.243 -1.497 406 H ASN 58 H ASN 58 6.660 5.924 1.568 407 HA ASN 58 HA ASN 58 8.168 4.085 -0.161 408 HB2 ASN 58 1HB ASN 58 8.988 5.380 2.207 409 HB3 ASN 58 2HB ASN 58 8.751 3.687 2.635 410 HD21 ASN 58 2HD2 ASN 58 10.132 5.604 -0.025 411 HD22 ASN 58 1HD2 ASN 58 11.552 4.635 -0.206 412 H VAL 59 H VAL 59 8.152 1.788 0.579 413 HA VAL 59 HA VAL 59 5.740 1.022 2.050 414 HB VAL 59 HB VAL 59 5.100 1.028 -0.317 415 HG11 VAL 59 1HG1 VAL 59 7.655 -0.365 -0.611 416 HG12 VAL 59 2HG1 VAL 59 6.738 0.589 -1.777 417 HG13 VAL 59 3HG1 VAL 59 6.326 -1.103 -1.504 418 HG21 VAL 59 3HG2 VAL 59 4.286 -1.296 -0.453 419 HG22 VAL 59 1HG2 VAL 59 4.041 -0.583 1.141 420 HG23 VAL 59 2HG2 VAL 59 5.356 -1.730 0.878 421 H LEU 60 H LEU 60 5.802 -1.051 2.983 422 HA LEU 60 HA LEU 60 8.479 -2.282 3.032 423 HB2 LEU 60 1HB LEU 60 6.673 -1.455 5.148 424 HB3 LEU 60 2HB LEU 60 7.091 -3.152 5.294 425 HG LEU 60 HG LEU 60 9.470 -2.585 5.334 426 HD11 LEU 60 1HD1 LEU 60 8.421 0.122 4.702 427 HD12 LEU 60 2HD1 LEU 60 9.870 -0.698 4.121 428 HD13 LEU 60 3HD1 LEU 60 9.843 0.003 5.738 429 HD21 LEU 60 3HD2 LEU 60 7.552 -1.474 7.297 430 HD22 LEU 60 1HD2 LEU 60 9.236 -0.975 7.450 431 HD23 LEU 60 2HD2 LEU 60 8.816 -2.686 7.504 432 H ARG 61 H ARG 61 8.579 -4.193 2.069 433 HA ARG 61 HA ARG 61 6.297 -6.030 2.282 434 HB2 ARG 61 1HB ARG 61 6.418 -4.785 0.034 435 HB3 ARG 61 2HB ARG 61 7.856 -5.746 -0.280 436 HG2 ARG 61 1HG ARG 61 5.532 -7.300 0.591 437 HG3 ARG 61 2HG ARG 61 5.326 -6.461 -0.948 438 HD2 ARG 61 1HD ARG 61 7.022 -7.640 -1.971 439 HD3 ARG 61 2HD ARG 61 7.831 -8.003 -0.448 440 HE ARG 61 HE ARG 61 5.255 -9.251 -0.720 441 HH11 ARG 61 1HH1 ARG 61 8.673 -9.558 -1.428 442 HH12 ARG 61 2HH1 ARG 61 8.622 -11.286 -1.527 443 HH21 ARG 61 1HH2 ARG 61 5.198 -11.528 -0.856 444 HH22 ARG 61 2HH2 ARG 61 6.652 -12.403 -1.203 445 H ASN 62 H ASN 62 7.508 -7.119 3.890 446 HA ASN 62 HA ASN 62 8.881 -8.738 4.694 447 HB2 ASN 62 1HB ASN 62 8.691 -9.371 1.801 448 HB3 ASN 62 2HB ASN 62 10.007 -10.140 2.681 449 HD21 ASN 62 2HD2 ASN 62 8.611 -12.009 1.904 450 HD22 ASN 62 1HD2 ASN 62 7.405 -12.570 3.006 451 H GLY 63 H GLY 63 9.980 -6.020 3.649 452 HA2 GLY 63 1HA GLY 63 12.056 -5.070 4.165 453 HA3 GLY 63 2HA GLY 63 12.758 -6.680 4.216 454 H GLU 64 H GLU 64 10.779 -5.783 1.508 455 HA GLU 64 HA GLU 64 13.155 -5.822 -0.204 456 HB2 GLU 64 1HB GLU 64 10.905 -7.282 -0.418 457 HB3 GLU 64 2HB GLU 64 10.434 -5.888 -1.376 458 HG2 GLU 64 1HG GLU 64 11.348 -7.593 -2.805 459 HG3 GLU 64 2HG GLU 64 12.430 -6.204 -2.779 460 H ALA 65 H ALA 65 13.103 -4.397 -2.126 461 HA ALA 65 HA ALA 65 12.173 -1.723 -1.361 462 HB1 ALA 65 3HB ALA 65 14.638 -2.445 -2.100 463 HB2 ALA 65 1HB ALA 65 13.978 -0.839 -2.412 464 HB3 ALA 65 2HB ALA 65 13.975 -2.056 -3.687 465 H ALA 66 H ALA 66 10.144 -1.417 -2.090 466 HA ALA 66 HA ALA 66 8.363 -1.187 -3.483 467 HB1 ALA 66 3HB ALA 66 10.634 -0.710 -5.393 468 HB2 ALA 66 1HB ALA 66 9.631 0.480 -4.564 469 HB3 ALA 66 2HB ALA 66 8.943 -0.511 -5.851 470 H ALA 67 H ALA 67 7.367 -3.160 -3.423 471 HA ALA 67 HA ALA 67 8.190 -5.187 -5.386 472 HB1 ALA 67 3HB ALA 67 6.364 -6.490 -3.929 473 HB2 ALA 67 1HB ALA 67 6.878 -5.298 -2.736 474 HB3 ALA 67 2HB ALA 67 8.063 -6.383 -3.465 475 H LEU 68 H LEU 68 6.772 -6.023 -6.886 476 HA LEU 68 HA LEU 68 4.046 -4.991 -6.991 477 HB2 LEU 68 1HB LEU 68 5.390 -3.413 -8.318 478 HB3 LEU 68 2HB LEU 68 5.967 -4.741 -9.306 479 HG LEU 68 HG LEU 68 3.024 -4.389 -9.138 480 HD11 LEU 68 1HD1 LEU 68 3.200 -2.188 -9.573 481 HD12 LEU 68 2HD1 LEU 68 3.524 -2.757 -11.211 482 HD13 LEU 68 3HD1 LEU 68 4.862 -2.321 -10.148 483 HD21 LEU 68 3HD2 LEU 68 3.621 -4.706 -11.734 484 HD22 LEU 68 1HD2 LEU 68 3.429 -6.051 -10.611 485 HD23 LEU 68 2HD2 LEU 68 5.042 -5.459 -11.009 486 H GLY 69 H GLY 69 6.438 -6.973 -8.739 487 HA2 GLY 69 1HA GLY 69 4.414 -8.729 -9.784 488 HA3 GLY 69 2HA GLY 69 6.150 -8.919 -9.951 489 H GLU 70 H GLU 70 3.929 -8.849 -7.144 490 HA GLU 70 HA GLU 70 4.999 -11.483 -6.385 491 HB2 GLU 70 1HB GLU 70 4.716 -8.996 -4.782 492 HB3 GLU 70 2HB GLU 70 4.376 -10.521 -3.974 493 HG2 GLU 70 1HG GLU 70 6.554 -10.672 -3.598 494 HG3 GLU 70 2HG GLU 70 6.735 -11.012 -5.317 495 H ALA 71 H ALA 71 2.485 -10.578 -7.818 496 HA ALA 71 HA ALA 71 0.215 -10.854 -6.232 497 HB1 ALA 71 3HB ALA 71 0.562 -10.344 -8.810 498 HB2 ALA 71 1HB ALA 71 -0.964 -10.967 -8.183 499 HB3 ALA 71 2HB ALA 71 0.189 -12.060 -8.946 500 H THR 72 H THR 72 2.429 -13.285 -7.448 501 HA THR 72 HA THR 72 0.685 -15.459 -6.582 502 HB THR 72 HB THR 72 2.828 -16.769 -7.474 503 HG1 THR 72 HG1 THR 72 4.169 -15.573 -8.532 504 HG21 THR 72 3HG2 THR 72 0.362 -16.225 -8.531 505 HG22 THR 72 1HG2 THR 72 1.565 -17.319 -9.217 506 HG23 THR 72 2HG2 THR 72 1.465 -15.651 -9.781 507 H ALA 73 H ALA 73 1.892 -13.663 -4.602 508 HA ALA 73 HA ALA 73 3.816 -15.429 -3.266 509 HB1 ALA 73 3HB ALA 73 4.620 -13.597 -2.110 510 HB2 ALA 73 1HB ALA 73 3.106 -12.703 -2.262 511 HB3 ALA 73 2HB ALA 73 4.171 -12.881 -3.657 512 H ALA 74 H ALA 74 3.523 -14.956 -0.672 513 HA ALA 74 HA ALA 74 1.179 -16.429 0.012 514 HB1 ALA 74 3HB ALA 74 2.067 -16.622 2.131 515 HB2 ALA 74 1HB ALA 74 2.842 -15.039 2.067 516 HB3 ALA 74 2HB ALA 74 3.517 -16.388 1.152 517 H GLY 75 H GLY 75 2.051 -13.030 0.136 518 HA2 GLY 75 1HA GLY 75 -0.735 -12.390 0.761 519 HA3 GLY 75 2HA GLY 75 0.496 -11.762 1.846 520 H ASP 76 H ASP 76 0.871 -9.684 1.465 521 HA ASP 76 HA ASP 76 1.236 -8.808 -1.305 522 HB2 ASP 76 1HB ASP 76 -0.617 -7.577 0.723 523 HB3 ASP 76 2HB ASP 76 0.054 -6.626 -0.598 524 H GLU 77 H GLU 77 1.115 -6.993 1.737 525 HA GLU 77 HA GLU 77 4.012 -6.706 1.748 526 HB2 GLU 77 1HB GLU 77 3.978 -4.298 1.702 527 HB3 GLU 77 2HB GLU 77 3.123 -4.886 0.284 528 HG2 GLU 77 1HG GLU 77 0.992 -4.447 1.360 529 HG3 GLU 77 2HG GLU 77 1.826 -3.904 2.817 530 H LEU 78 H LEU 78 4.192 -4.658 3.618 531 HA LEU 78 HA LEU 78 2.865 -5.868 5.951 532 HB2 LEU 78 1HB LEU 78 5.561 -5.544 5.456 533 HB3 LEU 78 2HB LEU 78 5.186 -4.179 6.488 534 HG LEU 78 HG LEU 78 4.331 -5.683 8.211 535 HD11 LEU 78 1HD1 LEU 78 3.419 -7.480 6.984 536 HD12 LEU 78 2HD1 LEU 78 4.764 -8.152 7.905 537 HD13 LEU 78 3HD1 LEU 78 4.956 -7.815 6.186 538 HD21 LEU 78 3HD2 LEU 78 7.035 -6.610 7.250 539 HD22 LEU 78 1HD2 LEU 78 6.421 -6.630 8.903 540 HD23 LEU 78 2HD2 LEU 78 6.749 -5.093 8.105 541 H ALA 79 H ALA 79 4.151 -2.775 4.733 542 HA ALA 79 HA ALA 79 1.797 -1.383 5.701 543 HB1 ALA 79 3HB ALA 79 3.095 -1.304 7.701 544 HB2 ALA 79 1HB ALA 79 3.195 0.290 6.955 545 HB3 ALA 79 2HB ALA 79 4.546 -0.835 6.817 546 H LEU 80 H LEU 80 1.915 0.992 5.107 547 HA LEU 80 HA LEU 80 3.676 1.565 2.832 548 HB2 LEU 80 1HB LEU 80 1.116 0.707 2.420 549 HB3 LEU 80 2HB LEU 80 0.881 2.441 2.485 550 HG LEU 80 HG LEU 80 2.812 1.058 0.616 551 HD11 LEU 80 1HD1 LEU 80 0.104 0.902 0.451 552 HD12 LEU 80 2HD1 LEU 80 1.197 0.847 -0.932 553 HD13 LEU 80 3HD1 LEU 80 0.423 2.365 -0.479 554 HD21 LEU 80 3HD2 LEU 80 2.103 3.884 1.171 555 HD22 LEU 80 1HD2 LEU 80 2.338 3.423 -0.516 556 HD23 LEU 80 2HD2 LEU 80 3.633 3.178 0.656 557 H PHE 81 H PHE 81 4.778 3.202 3.890 558 HA PHE 81 HA PHE 81 3.277 5.653 4.337 559 HB2 PHE 81 1HB PHE 81 4.359 6.006 6.579 560 HB3 PHE 81 2HB PHE 81 3.156 4.725 6.542 561 HD1 PHE 81 HD1 PHE 81 6.762 5.450 6.685 562 HD2 PHE 81 HD2 PHE 81 3.745 2.464 6.990 563 HE1 PHE 81 HE1 PHE 81 8.413 3.883 7.619 564 HE2 PHE 81 HE2 PHE 81 5.390 0.893 7.925 565 HZ PHE 81 HZ PHE 81 7.727 1.601 8.240 566 HA PRO 82 HA PRO 82 6.757 7.657 2.524 567 HB2 PRO 82 1HB PRO 82 6.493 9.742 4.625 568 HB3 PRO 82 2HB PRO 82 6.477 9.902 2.867 569 HG2 PRO 82 1HG PRO 82 4.225 10.108 4.283 570 HG3 PRO 82 2HG PRO 82 4.247 9.320 2.694 571 HD2 PRO 82 1HD PRO 82 4.130 8.097 5.418 572 HD3 PRO 82 2HD PRO 82 3.333 7.589 3.916 573 HA PRO 83 HA PRO 83 9.588 8.259 6.585 574 HB2 PRO 83 1HB PRO 83 8.043 6.315 8.244 575 HB3 PRO 83 2HB PRO 83 8.945 7.751 8.741 576 HG2 PRO 83 1HG PRO 83 6.292 7.798 8.622 577 HG3 PRO 83 2HG PRO 83 7.246 9.200 8.103 578 HD2 PRO 83 1HD PRO 83 5.811 7.169 6.464 579 HD3 PRO 83 2HD PRO 83 6.060 8.898 6.157 580 H VAL 84 H VAL 84 11.273 6.787 7.240 581 HA VAL 84 HA VAL 84 11.036 4.000 6.488 582 HB VAL 84 HB VAL 84 11.637 5.053 4.361 583 HG11 VAL 84 1HG1 VAL 84 14.272 5.875 5.530 584 HG12 VAL 84 2HG1 VAL 84 12.888 6.969 5.518 585 HG13 VAL 84 3HG1 VAL 84 13.540 6.351 4.000 586 HG21 VAL 84 3HG2 VAL 84 12.461 2.792 4.929 587 HG22 VAL 84 1HG2 VAL 84 13.963 3.514 5.506 588 HG23 VAL 84 2HG2 VAL 84 13.517 3.650 3.806 589 H SER 85 H SER 85 11.887 2.918 8.115 590 HA SER 85 HA SER 85 13.243 2.229 9.796 591 HB2 SER 85 1HB SER 85 15.099 3.764 8.057 592 HB3 SER 85 2HB SER 85 15.654 3.410 9.693 593 HG SER 85 HG SER 85 16.250 1.663 8.544 594 H GLY 86 H GLY 86 12.596 2.840 11.751 595 HA2 GLY 86 1HA GLY 86 13.436 5.485 12.733 596 HA3 GLY 86 2HA GLY 86 11.751 5.008 12.890 597 H GLY 87 H GLY 87 11.340 2.957 14.097 598 HA2 GLY 87 1HA GLY 87 11.862 1.411 15.786 599 HA3 GLY 87 2HA GLY 87 13.426 2.187 15.984 Start of MODEL 18 1 H1 MET 1 1H MET 1 3.566 -9.761 3.441 2 H2 MET 1 2H MET 1 2.864 -8.804 4.680 3 H3 MET 1 3H MET 1 3.153 -8.129 3.130 4 HA MET 1 HA MET 1 1.504 -9.392 2.139 5 HB2 MET 1 1HB MET 1 2.249 -11.266 4.037 6 HB3 MET 1 2HB MET 1 0.612 -10.843 4.519 7 HG2 MET 1 1HG MET 1 -0.147 -11.335 2.222 8 HG3 MET 1 2HG MET 1 1.487 -11.865 1.829 9 HE1 MET 1 3HE MET 1 1.743 -14.771 4.639 10 HE2 MET 1 1HE MET 1 2.022 -13.051 4.908 11 HE3 MET 1 2HE MET 1 2.699 -13.841 3.484 12 H GLU 2 H GLU 2 1.704 -6.926 3.785 13 HA GLU 2 HA GLU 2 -1.151 -6.564 4.241 14 HB2 GLU 2 1HB GLU 2 0.784 -5.610 6.338 15 HB3 GLU 2 2HB GLU 2 -0.964 -5.767 6.447 16 HG2 GLU 2 1HG GLU 2 -0.793 -8.167 6.492 17 HG3 GLU 2 2HG GLU 2 0.950 -8.081 6.226 18 H TRP 3 H TRP 3 -1.584 -4.178 4.807 19 HA TRP 3 HA TRP 3 0.342 -2.331 3.628 20 HB2 TRP 3 1HB TRP 3 -2.501 -2.630 2.608 21 HB3 TRP 3 2HB TRP 3 -1.394 -1.343 2.149 22 HD1 TRP 3 HD TRP 3 -1.667 -5.199 1.864 23 HE1 TRP 3 HE1 TRP 3 -0.471 -5.927 -0.298 24 HE3 TRP 3 HE3 TRP 3 0.173 -0.666 0.387 25 HZ2 TRP 3 HZ2 TRP 3 1.041 -4.736 -2.358 26 HZ3 TRP 3 HZ3 TRP 3 1.483 -0.545 -1.692 27 HH2 TRP 3 HH TRP 3 1.908 -2.540 -3.033 28 H LYS 4 H LYS 4 0.351 -0.427 4.688 29 HA LYS 4 HA LYS 4 -2.007 0.335 6.265 30 HB2 LYS 4 1HB LYS 4 0.298 -0.743 7.398 31 HB3 LYS 4 2HB LYS 4 0.484 0.990 7.623 32 HG2 LYS 4 1HG LYS 4 -1.476 1.147 8.896 33 HG3 LYS 4 2HG LYS 4 -2.038 -0.446 8.382 34 HD2 LYS 4 1HD LYS 4 -0.343 -1.536 9.667 35 HD3 LYS 4 2HD LYS 4 0.457 -0.003 10.015 36 HE2 LYS 4 1HE LYS 4 -2.310 -0.778 10.934 37 HE3 LYS 4 2HE LYS 4 -0.853 -0.843 11.926 38 HZ1 LYS 4 3HZ LYS 4 -2.199 1.561 10.829 39 HZ2 LYS 4 1HZ LYS 4 -0.626 1.606 11.455 40 HZ3 LYS 4 2HZ LYS 4 -1.923 1.170 12.450 41 H LEU 5 H LEU 5 -2.020 2.626 6.869 42 HA LEU 5 HA LEU 5 -0.132 4.345 5.484 43 HB2 LEU 5 1HB LEU 5 -2.490 3.639 4.216 44 HB3 LEU 5 2HB LEU 5 -2.849 5.208 4.913 45 HG LEU 5 HG LEU 5 -0.535 5.852 3.799 46 HD11 LEU 5 1HD1 LEU 5 0.031 4.680 1.869 47 HD12 LEU 5 2HD1 LEU 5 -1.506 3.816 1.828 48 HD13 LEU 5 3HD1 LEU 5 -0.299 3.411 3.048 49 HD21 LEU 5 3HD2 LEU 5 -2.140 6.046 1.599 50 HD22 LEU 5 1HD2 LEU 5 -2.120 7.178 2.951 51 HD23 LEU 5 2HD2 LEU 5 -3.316 5.883 2.904 52 H PHE 6 H PHE 6 -0.488 6.655 5.965 53 HA PHE 6 HA PHE 6 -1.371 6.963 8.738 54 HB2 PHE 6 1HB PHE 6 0.935 7.748 7.564 55 HB3 PHE 6 2HB PHE 6 -0.019 9.214 7.359 56 HD1 PHE 6 HD2 PHE 6 0.639 6.697 10.050 57 HD2 PHE 6 HD1 PHE 6 0.233 10.801 8.989 58 HE1 PHE 6 HE2 PHE 6 1.147 7.345 12.368 59 HE2 PHE 6 HE1 PHE 6 0.741 11.453 11.305 60 HZ PHE 6 HZ PHE 6 1.198 9.724 12.998 61 H ALA 7 H ALA 7 -2.076 9.429 9.129 62 HA ALA 7 HA ALA 7 -4.651 9.677 8.002 63 HB1 ALA 7 3HB ALA 7 -4.356 12.077 9.109 64 HB2 ALA 7 1HB ALA 7 -3.004 11.256 9.888 65 HB3 ALA 7 2HB ALA 7 -4.639 10.620 10.063 66 H ASP 8 H ASP 8 -1.639 10.605 6.710 67 HA ASP 8 HA ASP 8 -2.152 13.011 5.434 68 HB2 ASP 8 1HB ASP 8 -0.333 10.734 4.976 69 HB3 ASP 8 2HB ASP 8 -0.682 11.693 3.544 70 H LEU 9 H LEU 9 -3.142 9.752 4.577 71 HA LEU 9 HA LEU 9 -4.835 10.860 2.430 72 HB2 LEU 9 1HB LEU 9 -3.882 8.024 2.438 73 HB3 LEU 9 2HB LEU 9 -4.472 8.982 1.098 74 HG LEU 9 HG LEU 9 -1.776 9.218 2.438 75 HD11 LEU 9 1HD1 LEU 9 -2.751 7.656 0.265 76 HD12 LEU 9 2HD1 LEU 9 -1.114 7.755 0.915 77 HD13 LEU 9 3HD1 LEU 9 -1.624 8.860 -0.360 78 HD21 LEU 9 3HD2 LEU 9 -1.625 11.299 1.690 79 HD22 LEU 9 1HD2 LEU 9 -3.269 11.212 1.059 80 HD23 LEU 9 2HD2 LEU 9 -1.911 10.726 0.047 81 H ALA 10 H ALA 10 -4.560 8.406 4.989 82 HA ALA 10 HA ALA 10 -7.136 7.305 4.675 83 HB1 ALA 10 3HB ALA 10 -5.012 6.670 6.213 84 HB2 ALA 10 1HB ALA 10 -6.635 6.020 6.450 85 HB3 ALA 10 2HB ALA 10 -6.082 7.385 7.418 86 H GLU 11 H GLU 11 -6.222 10.392 5.790 87 HA GLU 11 HA GLU 11 -8.500 10.771 7.537 88 HB2 GLU 11 1HB GLU 11 -6.264 11.924 7.821 89 HB3 GLU 11 2HB GLU 11 -6.659 12.882 6.398 90 HG2 GLU 11 1HG GLU 11 -8.540 12.781 8.716 91 HG3 GLU 11 2HG GLU 11 -7.124 13.827 8.766 92 H VAL 12 H VAL 12 -7.665 11.278 4.194 93 HA VAL 12 HA VAL 12 -9.935 13.006 3.678 94 HB VAL 12 HB VAL 12 -7.958 11.752 1.777 95 HG11 VAL 12 1HG1 VAL 12 -10.087 12.307 0.694 96 HG12 VAL 12 2HG1 VAL 12 -8.780 13.350 0.135 97 HG13 VAL 12 3HG1 VAL 12 -9.960 13.957 1.299 98 HG21 VAL 12 3HG2 VAL 12 -6.994 13.344 3.422 99 HG22 VAL 12 1HG2 VAL 12 -8.088 14.581 2.806 100 HG23 VAL 12 2HG2 VAL 12 -6.856 13.890 1.751 101 H ALA 13 H ALA 13 -9.093 9.620 3.348 102 HA ALA 13 HA ALA 13 -11.586 9.070 1.905 103 HB1 ALA 13 3HB ALA 13 -9.815 7.982 0.852 104 HB2 ALA 13 1HB ALA 13 -10.575 6.716 1.815 105 HB3 ALA 13 2HB ALA 13 -9.089 7.482 2.380 106 H GLY 14 H GLY 14 -9.902 8.259 4.918 107 HA2 GLY 14 1HA GLY 14 -11.543 8.123 6.847 108 HA3 GLY 14 2HA GLY 14 -12.356 6.913 5.863 109 H SER 15 H SER 15 -9.999 5.651 4.850 110 HA SER 15 HA SER 15 -8.230 4.840 6.887 111 HB2 SER 15 1HB SER 15 -9.108 2.514 7.216 112 HB3 SER 15 2HB SER 15 -10.145 3.763 7.903 113 HG SER 15 HG SER 15 -10.521 2.320 5.492 114 H ARG 16 H ARG 16 -6.538 3.716 6.029 115 HA ARG 16 HA ARG 16 -6.882 2.575 3.342 116 HB2 ARG 16 1HB ARG 16 -5.722 4.926 3.538 117 HB3 ARG 16 2HB ARG 16 -4.335 3.976 4.047 118 HG2 ARG 16 1HG ARG 16 -4.290 4.478 1.651 119 HG3 ARG 16 2HG ARG 16 -4.361 2.745 1.969 120 HD2 ARG 16 1HD ARG 16 -6.936 4.164 1.609 121 HD3 ARG 16 2HD ARG 16 -5.929 3.957 0.178 122 HE ARG 16 HE ARG 16 -5.977 1.473 1.217 123 HH11 ARG 16 1HH1 ARG 16 -8.532 3.756 0.470 124 HH12 ARG 16 2HH1 ARG 16 -9.708 2.526 0.155 125 HH21 ARG 16 1HH2 ARG 16 -7.539 -0.144 0.795 126 HH22 ARG 16 2HH2 ARG 16 -9.145 0.315 0.340 127 H THR 17 H THR 17 -6.522 1.527 6.237 128 HA THR 17 HA THR 17 -4.081 -0.044 5.865 129 HB THR 17 HB THR 17 -4.168 -0.581 8.168 130 HG1 THR 17 HG1 THR 17 -5.952 -0.440 9.401 131 HG21 THR 17 3HG2 THR 17 -3.552 1.762 7.804 132 HG22 THR 17 1HG2 THR 17 -4.351 1.507 9.354 133 HG23 THR 17 2HG2 THR 17 -5.242 2.223 8.012 134 H VAL 18 H VAL 18 -4.177 -2.034 5.051 135 HA VAL 18 HA VAL 18 -6.512 -3.713 5.556 136 HB VAL 18 HB VAL 18 -5.549 -3.664 2.733 137 HG11 VAL 18 1HG1 VAL 18 -8.000 -4.457 4.217 138 HG12 VAL 18 2HG1 VAL 18 -7.110 -5.314 2.958 139 HG13 VAL 18 3HG1 VAL 18 -8.165 -3.966 2.531 140 HG21 VAL 18 3HG2 VAL 18 -7.512 -1.652 3.832 141 HG22 VAL 18 1HG2 VAL 18 -7.163 -1.923 2.125 142 HG23 VAL 18 2HG2 VAL 18 -5.907 -1.296 3.193 143 H ARG 19 H ARG 19 -6.155 -5.986 4.749 144 HA ARG 19 HA ARG 19 -3.299 -6.712 4.815 145 HB2 ARG 19 1HB ARG 19 -5.595 -7.752 6.387 146 HB3 ARG 19 2HB ARG 19 -4.422 -8.933 5.823 147 HG2 ARG 19 1HG ARG 19 -3.382 -8.451 7.746 148 HG3 ARG 19 2HG ARG 19 -2.773 -7.056 6.851 149 HD2 ARG 19 1HD ARG 19 -5.394 -6.544 7.965 150 HD3 ARG 19 2HD ARG 19 -4.244 -7.027 9.213 151 HE ARG 19 HE ARG 19 -3.230 -5.018 7.421 152 HH11 ARG 19 1HH1 ARG 19 -5.079 -5.567 10.348 153 HH12 ARG 19 2HH1 ARG 19 -4.746 -3.998 10.998 154 HH21 ARG 19 1HH2 ARG 19 -2.802 -2.948 8.283 155 HH22 ARG 19 2HH2 ARG 19 -3.456 -2.512 9.827 156 H VAL 20 H VAL 20 -2.627 -8.344 3.429 157 HA VAL 20 HA VAL 20 -4.575 -9.076 1.355 158 HB VAL 20 HB VAL 20 -1.571 -9.338 1.197 159 HG11 VAL 20 1HG1 VAL 20 -1.822 -10.031 -0.936 160 HG12 VAL 20 2HG1 VAL 20 -3.228 -9.004 -1.219 161 HG13 VAL 20 3HG1 VAL 20 -3.412 -10.535 -0.363 162 HG21 VAL 20 3HG2 VAL 20 -2.137 -7.276 -0.447 163 HG22 VAL 20 1HG2 VAL 20 -1.608 -7.085 1.223 164 HG23 VAL 20 2HG2 VAL 20 -3.324 -6.998 0.827 165 H ASP 21 H ASP 21 -5.393 -11.055 1.357 166 HA ASP 21 HA ASP 21 -3.754 -13.294 2.305 167 HB2 ASP 21 1HB ASP 21 -6.242 -12.293 3.466 168 HB3 ASP 21 2HB ASP 21 -6.303 -14.007 3.074 169 H VAL 22 H VAL 22 -6.870 -12.488 0.812 170 HA VAL 22 HA VAL 22 -6.827 -14.910 -0.768 171 HB VAL 22 HB VAL 22 -8.992 -13.919 -1.695 172 HG11 VAL 22 1HG1 VAL 22 -8.842 -15.710 0.014 173 HG12 VAL 22 2HG1 VAL 22 -10.279 -14.703 0.174 174 HG13 VAL 22 3HG1 VAL 22 -8.912 -14.468 1.264 175 HG21 VAL 22 3HG2 VAL 22 -10.028 -12.113 -0.636 176 HG22 VAL 22 1HG2 VAL 22 -8.356 -11.587 -0.839 177 HG23 VAL 22 2HG2 VAL 22 -8.917 -12.161 0.731 178 H ASP 23 H ASP 23 -7.003 -14.917 -3.079 179 HA ASP 23 HA ASP 23 -5.802 -12.544 -4.347 180 HB2 ASP 23 1HB ASP 23 -4.782 -14.090 -5.995 181 HB3 ASP 23 2HB ASP 23 -4.219 -14.382 -4.354 182 H GLY 24 H GLY 24 -7.037 -11.540 -5.772 183 HA2 GLY 24 1HA GLY 24 -8.857 -13.077 -7.466 184 HA3 GLY 24 2HA GLY 24 -9.571 -11.837 -6.446 185 H ASP 25 H ASP 25 -8.863 -9.605 -6.775 186 HA ASP 25 HA ASP 25 -7.690 -9.127 -9.431 187 HB2 ASP 25 1HB ASP 25 -10.336 -8.835 -9.033 188 HB3 ASP 25 2HB ASP 25 -9.791 -7.241 -8.516 189 H ALA 26 H ALA 26 -6.642 -8.973 -6.622 190 HA ALA 26 HA ALA 26 -5.856 -6.132 -6.653 191 HB1 ALA 26 3HB ALA 26 -5.659 -7.638 -4.111 192 HB2 ALA 26 1HB ALA 26 -7.279 -7.218 -4.668 193 HB3 ALA 26 2HB ALA 26 -6.080 -5.951 -4.401 194 H THR 27 H THR 27 -3.811 -5.893 -7.245 195 HA THR 27 HA THR 27 -1.902 -8.056 -6.676 196 HB THR 27 HB THR 27 -0.748 -6.230 -8.497 197 HG1 THR 27 HG1 THR 27 -2.241 -5.840 -9.971 198 HG21 THR 27 3HG2 THR 27 -2.039 -8.790 -9.336 199 HG22 THR 27 1HG2 THR 27 -0.586 -8.777 -8.337 200 HG23 THR 27 2HG2 THR 27 -0.563 -8.035 -9.937 201 H VAL 28 H VAL 28 0.461 -7.131 -6.575 202 HA VAL 28 HA VAL 28 0.550 -5.453 -4.262 203 HB VAL 28 HB VAL 28 2.845 -6.398 -5.995 204 HG11 VAL 28 1HG1 VAL 28 3.903 -6.130 -3.540 205 HG12 VAL 28 2HG1 VAL 28 2.692 -4.849 -3.483 206 HG13 VAL 28 3HG1 VAL 28 3.920 -4.845 -4.748 207 HG21 VAL 28 3HG2 VAL 28 2.135 -8.414 -5.254 208 HG22 VAL 28 1HG2 VAL 28 1.251 -7.726 -3.894 209 HG23 VAL 28 2HG2 VAL 28 2.998 -7.931 -3.795 210 H GLY 29 H GLY 29 1.190 -5.064 -7.709 211 HA2 GLY 29 1HA GLY 29 2.216 -2.406 -7.414 212 HA3 GLY 29 2HA GLY 29 1.802 -3.196 -8.927 213 H ASP 30 H ASP 30 -0.893 -3.876 -8.077 214 HA ASP 30 HA ASP 30 -2.311 -1.639 -8.998 215 HB2 ASP 30 1HB ASP 30 -3.219 -3.880 -9.193 216 HB3 ASP 30 2HB ASP 30 -3.247 -4.059 -7.443 217 H ALA 31 H ALA 31 -1.587 -2.751 -5.718 218 HA ALA 31 HA ALA 31 -3.159 -0.626 -4.506 219 HB1 ALA 31 3HB ALA 31 -1.692 -3.009 -3.507 220 HB2 ALA 31 1HB ALA 31 -3.315 -2.436 -3.121 221 HB3 ALA 31 2HB ALA 31 -1.910 -1.654 -2.402 222 H LEU 32 H LEU 32 0.189 -1.339 -5.271 223 HA LEU 32 HA LEU 32 1.437 0.559 -3.623 224 HB2 LEU 32 1HB LEU 32 2.509 -1.290 -5.012 225 HB3 LEU 32 2HB LEU 32 2.370 -0.207 -6.383 226 HG LEU 32 HG LEU 32 3.631 1.253 -4.309 227 HD11 LEU 32 1HD1 LEU 32 4.052 -1.331 -3.694 228 HD12 LEU 32 2HD1 LEU 32 5.219 -0.046 -3.384 229 HD13 LEU 32 3HD1 LEU 32 5.385 -1.060 -4.817 230 HD21 LEU 32 3HD2 LEU 32 4.175 1.850 -6.467 231 HD22 LEU 32 1HD2 LEU 32 4.372 0.179 -6.996 232 HD23 LEU 32 2HD2 LEU 32 5.604 0.938 -5.986 233 H ASP 33 H ASP 33 0.611 0.824 -7.096 234 HA ASP 33 HA ASP 33 1.191 3.572 -7.291 235 HB2 ASP 33 1HB ASP 33 0.423 3.440 -9.465 236 HB3 ASP 33 2HB ASP 33 0.834 1.764 -9.148 237 H ALA 34 H ALA 34 -1.753 1.837 -6.456 238 HA ALA 34 HA ALA 34 -3.583 3.955 -6.591 239 HB1 ALA 34 3HB ALA 34 -3.527 1.439 -4.953 240 HB2 ALA 34 1HB ALA 34 -4.513 1.816 -6.366 241 HB3 ALA 34 2HB ALA 34 -4.843 2.604 -4.825 242 H LEU 35 H LEU 35 -1.721 2.731 -3.818 243 HA LEU 35 HA LEU 35 -2.577 4.746 -2.016 244 HB2 LEU 35 1HB LEU 35 -0.433 2.672 -2.033 245 HB3 LEU 35 2HB LEU 35 -0.316 3.973 -0.863 246 HG LEU 35 HG LEU 35 -2.400 3.350 0.157 247 HD11 LEU 35 1HD1 LEU 35 -3.843 1.644 -0.633 248 HD12 LEU 35 2HD1 LEU 35 -2.687 1.140 -1.865 249 HD13 LEU 35 3HD1 LEU 35 -3.507 2.694 -2.009 250 HD21 LEU 35 3HD2 LEU 35 -0.677 0.937 -0.392 251 HD22 LEU 35 1HD2 LEU 35 -1.880 1.054 0.892 252 HD23 LEU 35 2HD2 LEU 35 -0.468 2.109 0.910 253 H VAL 36 H VAL 36 0.024 4.541 -4.363 254 HA VAL 36 HA VAL 36 1.620 6.661 -3.400 255 HB VAL 36 HB VAL 36 1.271 5.607 -6.212 256 HG11 VAL 36 1HG1 VAL 36 3.649 6.819 -6.329 257 HG12 VAL 36 2HG1 VAL 36 2.845 7.893 -5.185 258 HG13 VAL 36 3HG1 VAL 36 2.145 7.621 -6.780 259 HG21 VAL 36 3HG2 VAL 36 2.825 4.080 -5.714 260 HG22 VAL 36 1HG2 VAL 36 2.507 4.479 -4.026 261 HG23 VAL 36 2HG2 VAL 36 3.838 5.257 -4.882 262 H GLY 37 H GLY 37 -0.918 6.648 -5.917 263 HA2 GLY 37 1HA GLY 37 -2.029 9.118 -5.165 264 HA3 GLY 37 2HA GLY 37 -0.843 9.424 -6.422 265 H ALA 38 H ALA 38 -2.777 6.490 -6.329 266 HA ALA 38 HA ALA 38 -4.096 7.363 -8.803 267 HB1 ALA 38 3HB ALA 38 -2.708 5.023 -8.208 268 HB2 ALA 38 1HB ALA 38 -3.685 5.349 -9.639 269 HB3 ALA 38 2HB ALA 38 -4.407 4.554 -8.241 270 H HIS 39 H HIS 39 -4.766 7.219 -5.581 271 HA HIS 39 HA HIS 39 -7.612 6.697 -6.072 272 HB2 HIS 39 1HB HIS 39 -5.796 5.649 -3.994 273 HB3 HIS 39 2HB HIS 39 -7.337 6.244 -3.392 274 HD1 HIS 39 HD1 HIS 39 -6.312 3.195 -3.566 275 HD2 HIS 39 HD2 HIS 39 -9.093 5.053 -6.033 276 HE1 HIS 39 HE1 HIS 39 -7.720 1.338 -4.509 277 HE2 HIS 39 HE2 HIS 39 -9.418 2.488 -5.972 278 HA PRO 40 HA PRO 40 -6.793 11.225 -4.961 279 HB2 PRO 40 1HB PRO 40 -9.399 11.059 -6.429 280 HB3 PRO 40 2HB PRO 40 -8.184 12.345 -6.461 281 HG2 PRO 40 1HG PRO 40 -8.283 10.616 -8.443 282 HG3 PRO 40 2HG PRO 40 -6.709 11.073 -7.760 283 HD2 PRO 40 1HD PRO 40 -8.271 8.553 -7.408 284 HD3 PRO 40 2HD PRO 40 -6.512 8.795 -7.484 285 H ALA 41 H ALA 41 -9.380 8.920 -4.386 286 HA ALA 41 HA ALA 41 -11.180 10.361 -2.887 287 HB1 ALA 41 3HB ALA 41 -11.310 8.053 -1.571 288 HB2 ALA 41 1HB ALA 41 -10.349 7.518 -2.950 289 HB3 ALA 41 2HB ALA 41 -11.934 8.247 -3.211 290 H LEU 42 H LEU 42 -7.950 9.345 -1.955 291 HA LEU 42 HA LEU 42 -8.428 10.401 0.747 292 HB2 LEU 42 1HB LEU 42 -6.292 9.107 1.287 293 HB3 LEU 42 2HB LEU 42 -7.772 8.200 1.066 294 HG LEU 42 HG LEU 42 -7.053 7.507 -1.154 295 HD11 LEU 42 1HD1 LEU 42 -5.814 9.467 -1.850 296 HD12 LEU 42 2HD1 LEU 42 -4.782 8.042 -1.953 297 HD13 LEU 42 3HD1 LEU 42 -4.594 9.170 -0.613 298 HD21 LEU 42 3HD2 LEU 42 -6.303 5.884 0.221 299 HD22 LEU 42 1HD2 LEU 42 -5.430 7.012 1.257 300 HD23 LEU 42 2HD2 LEU 42 -4.725 6.494 -0.275 301 H GLU 43 H GLU 43 -7.281 11.471 -2.081 302 HA GLU 43 HA GLU 43 -4.826 12.677 -1.073 303 HB2 GLU 43 1HB GLU 43 -4.945 11.669 -3.364 304 HB3 GLU 43 2HB GLU 43 -6.080 12.934 -3.811 305 HG2 GLU 43 1HG GLU 43 -4.462 14.608 -3.651 306 HG3 GLU 43 2HG GLU 43 -3.363 13.581 -2.733 307 H SER 44 H SER 44 -4.845 14.615 -0.137 308 HA SER 44 HA SER 44 -7.166 16.362 -0.502 309 HB2 SER 44 1HB SER 44 -6.681 15.989 1.801 310 HB3 SER 44 2HB SER 44 -4.961 16.286 1.562 311 HG SER 44 HG SER 44 -6.777 18.026 2.286 312 H ARG 45 H ARG 45 -3.602 16.606 -0.437 313 HA ARG 45 HA ARG 45 -3.742 18.637 -2.538 314 HB2 ARG 45 1HB ARG 45 -2.051 19.014 -0.059 315 HB3 ARG 45 2HB ARG 45 -2.236 20.140 -1.397 316 HG2 ARG 45 1HG ARG 45 -4.824 19.734 -0.504 317 HG3 ARG 45 2HG ARG 45 -3.860 19.784 0.971 318 HD2 ARG 45 1HD ARG 45 -4.153 22.009 0.763 319 HD3 ARG 45 2HD ARG 45 -2.795 21.872 -0.353 320 HE ARG 45 HE ARG 45 -4.204 22.458 -2.045 321 HH11 ARG 45 1HH1 ARG 45 -6.149 21.261 0.613 322 HH12 ARG 45 2HH1 ARG 45 -7.654 21.672 -0.139 323 HH21 ARG 45 1HH2 ARG 45 -6.193 22.994 -3.034 324 HH22 ARG 45 2HH2 ARG 45 -7.678 22.658 -2.208 325 H VAL 46 H VAL 46 -1.919 18.741 -3.868 326 HA VAL 46 HA VAL 46 0.009 16.541 -3.495 327 HB VAL 46 HB VAL 46 0.284 17.165 -6.128 328 HG11 VAL 46 1HG1 VAL 46 -1.387 15.136 -4.699 329 HG12 VAL 46 2HG1 VAL 46 0.141 14.929 -5.557 330 HG13 VAL 46 3HG1 VAL 46 -1.352 15.182 -6.463 331 HG21 VAL 46 3HG2 VAL 46 -2.686 17.316 -5.664 332 HG22 VAL 46 1HG2 VAL 46 -1.804 17.533 -7.176 333 HG23 VAL 46 2HG2 VAL 46 -1.678 18.743 -5.900 334 H PHE 47 H PHE 47 0.055 19.505 -2.646 335 HA PHE 47 HA PHE 47 1.651 21.067 -2.290 336 HB2 PHE 47 1HB PHE 47 3.157 19.039 -2.143 337 HB3 PHE 47 2HB PHE 47 3.586 19.334 -3.825 338 HD1 PHE 47 HD2 PHE 47 3.744 20.706 -0.408 339 HD2 PHE 47 HD1 PHE 47 5.111 21.045 -4.424 340 HE1 PHE 47 HE2 PHE 47 5.478 22.293 0.321 341 HE2 PHE 47 HE1 PHE 47 6.846 22.633 -3.703 342 HZ PHE 47 HZ PHE 47 7.031 23.258 -1.328 343 H GLY 48 H GLY 48 2.550 19.810 -5.527 344 HA2 GLY 48 1HA GLY 48 2.678 22.530 -6.536 345 HA3 GLY 48 2HA GLY 48 3.120 21.074 -7.407 346 H ASP 49 H ASP 49 0.158 20.395 -6.152 347 HA ASP 49 HA ASP 49 -1.965 20.335 -6.927 348 HB2 ASP 49 1HB ASP 49 -1.023 22.981 -7.743 349 HB3 ASP 49 2HB ASP 49 -2.300 22.355 -8.781 350 H ASP 50 H ASP 50 -0.388 21.640 -9.849 351 HA ASP 50 HA ASP 50 -1.033 19.101 -11.198 352 HB2 ASP 50 1HB ASP 50 -2.307 21.344 -11.806 353 HB3 ASP 50 2HB ASP 50 -0.860 21.639 -12.766 354 H GLY 51 H GLY 51 1.447 19.813 -9.843 355 HA2 GLY 51 1HA GLY 51 3.255 19.281 -12.058 356 HA3 GLY 51 2HA GLY 51 3.556 20.765 -11.165 357 H GLU 52 H GLU 52 4.273 17.510 -11.373 358 HA GLU 52 HA GLU 52 5.512 17.564 -8.713 359 HB2 GLU 52 1HB GLU 52 3.342 15.883 -9.486 360 HB3 GLU 52 2HB GLU 52 4.769 14.873 -9.290 361 HG2 GLU 52 1HG GLU 52 4.828 15.150 -7.063 362 HG3 GLU 52 2HG GLU 52 4.340 16.841 -7.155 363 H LEU 53 H LEU 53 7.612 17.601 -9.167 364 HA LEU 53 HA LEU 53 8.645 15.853 -11.296 365 HB2 LEU 53 1HB LEU 53 9.038 18.396 -11.305 366 HB3 LEU 53 2HB LEU 53 10.168 18.096 -10.000 367 HG LEU 53 HG LEU 53 10.531 16.467 -12.449 368 HD11 LEU 53 1HD1 LEU 53 11.651 18.219 -13.658 369 HD12 LEU 53 2HD1 LEU 53 11.306 19.378 -12.373 370 HD13 LEU 53 3HD1 LEU 53 9.988 18.708 -13.335 371 HD21 LEU 53 3HD2 LEU 53 12.221 16.025 -10.998 372 HD22 LEU 53 1HD2 LEU 53 12.163 17.627 -10.262 373 HD23 LEU 53 2HD2 LEU 53 12.943 17.402 -11.828 374 H TYR 54 H TYR 54 9.010 16.716 -7.891 375 HA TYR 54 HA TYR 54 11.060 14.644 -7.573 376 HB2 TYR 54 1HB TYR 54 11.551 16.885 -6.646 377 HB3 TYR 54 2HB TYR 54 10.137 16.751 -5.604 378 HD1 TYR 54 HD1 TYR 54 13.066 14.562 -6.441 379 HD2 TYR 54 HD2 TYR 54 10.661 16.324 -3.403 380 HE1 TYR 54 HE1 TYR 54 14.437 13.462 -4.724 381 HE2 TYR 54 HE2 TYR 54 12.029 15.231 -1.678 382 HH TYR 54 HH TYR 54 15.014 13.833 -2.302 383 H ASP 55 H ASP 55 10.704 12.800 -6.476 384 HA ASP 55 HA ASP 55 8.057 12.453 -5.232 385 HB2 ASP 55 1HB ASP 55 8.857 11.116 -7.401 386 HB3 ASP 55 2HB ASP 55 9.589 10.079 -6.180 387 H HIS 56 H HIS 56 7.989 11.888 -3.149 388 HA HIS 56 HA HIS 56 10.245 10.521 -1.911 389 HB2 HIS 56 1HB HIS 56 10.563 13.054 -1.725 390 HB3 HIS 56 2HB HIS 56 9.172 13.043 -0.649 391 HD1 HIS 56 HD1 HIS 56 12.601 13.264 -0.353 392 HD2 HIS 56 HD2 HIS 56 9.810 10.738 1.412 393 HE1 HIS 56 HE1 HIS 56 13.693 12.415 1.748 394 HE2 HIS 56 HE2 HIS 56 11.992 10.874 2.791 395 H ILE 57 H ILE 57 9.559 9.014 -0.509 396 HA ILE 57 HA ILE 57 7.333 9.331 1.219 397 HB ILE 57 HB ILE 57 6.060 8.981 -0.849 398 HG12 ILE 57 1HG1 ILE 57 5.896 6.502 0.874 399 HG13 ILE 57 2HG1 ILE 57 5.288 8.074 1.378 400 HG21 ILE 57 1HG2 ILE 57 7.989 6.814 -1.213 401 HG22 ILE 57 2HG2 ILE 57 7.055 7.719 -2.403 402 HG23 ILE 57 3HG2 ILE 57 6.322 6.359 -1.555 403 HD11 ILE 57 3HD1 ILE 57 4.373 6.639 -1.099 404 HD12 ILE 57 1HD1 ILE 57 3.672 8.086 -0.372 405 HD13 ILE 57 2HD1 ILE 57 3.565 6.537 0.466 406 H ASN 58 H ASN 58 7.209 7.683 2.762 407 HA ASN 58 HA ASN 58 9.469 5.811 2.696 408 HB2 ASN 58 1HB ASN 58 8.050 7.268 4.862 409 HB3 ASN 58 2HB ASN 58 8.646 5.658 5.250 410 HD21 ASN 58 2HD2 ASN 58 10.344 6.095 6.523 411 HD22 ASN 58 1HD2 ASN 58 11.703 7.059 6.061 412 H VAL 59 H VAL 59 9.206 3.630 3.008 413 HA VAL 59 HA VAL 59 6.490 2.592 3.388 414 HB VAL 59 HB VAL 59 6.881 2.679 0.961 415 HG11 VAL 59 1HG1 VAL 59 8.655 0.703 0.343 416 HG12 VAL 59 2HG1 VAL 59 9.433 1.467 1.727 417 HG13 VAL 59 3HG1 VAL 59 9.009 2.431 0.314 418 HG21 VAL 59 3HG2 VAL 59 6.232 0.429 0.446 419 HG22 VAL 59 1HG2 VAL 59 5.516 0.871 1.995 420 HG23 VAL 59 2HG2 VAL 59 6.938 -0.170 1.947 421 H LEU 60 H LEU 60 6.399 0.385 4.131 422 HA LEU 60 HA LEU 60 8.933 -0.544 5.313 423 HB2 LEU 60 1HB LEU 60 6.681 0.225 6.669 424 HB3 LEU 60 2HB LEU 60 6.439 -1.505 6.534 425 HG LEU 60 HG LEU 60 7.505 -1.052 8.630 426 HD11 LEU 60 1HD1 LEU 60 8.345 -2.942 6.993 427 HD12 LEU 60 2HD1 LEU 60 9.131 -2.649 8.543 428 HD13 LEU 60 3HD1 LEU 60 9.840 -2.008 7.060 429 HD21 LEU 60 3HD2 LEU 60 9.882 -0.049 8.529 430 HD22 LEU 60 1HD2 LEU 60 8.495 1.035 8.436 431 HD23 LEU 60 2HD2 LEU 60 9.369 0.599 6.969 432 H ARG 61 H ARG 61 9.623 -2.497 4.710 433 HA ARG 61 HA ARG 61 7.692 -4.330 3.443 434 HB2 ARG 61 1HB ARG 61 9.605 -3.164 2.043 435 HB3 ARG 61 2HB ARG 61 10.603 -4.422 2.758 436 HG2 ARG 61 1HG ARG 61 9.667 -6.060 1.522 437 HG3 ARG 61 2HG ARG 61 8.066 -5.317 1.546 438 HD2 ARG 61 1HD ARG 61 9.730 -3.583 0.079 439 HD3 ARG 61 2HD ARG 61 10.088 -5.213 -0.489 440 HE ARG 61 HE ARG 61 7.998 -5.318 -1.429 441 HH11 ARG 61 1HH1 ARG 61 8.118 -2.574 0.750 442 HH12 ARG 61 2HH1 ARG 61 6.596 -1.935 0.226 443 HH21 ARG 61 1HH2 ARG 61 5.988 -4.468 -2.110 444 HH22 ARG 61 2HH2 ARG 61 5.388 -3.008 -1.396 445 H ASN 62 H ASN 62 7.803 -6.493 3.978 446 HA ASN 62 HA ASN 62 8.792 -7.172 6.525 447 HB2 ASN 62 1HB ASN 62 7.479 -8.618 4.292 448 HB3 ASN 62 2HB ASN 62 8.390 -9.606 5.431 449 HD21 ASN 62 2HD2 ASN 62 7.941 -8.979 7.796 450 HD22 ASN 62 1HD2 ASN 62 6.276 -8.777 8.206 451 H GLY 63 H GLY 63 10.325 -7.179 3.430 452 HA2 GLY 63 1HA GLY 63 12.757 -7.264 3.416 453 HA3 GLY 63 2HA GLY 63 12.661 -8.540 4.619 454 H GLU 64 H GLU 64 10.434 -8.557 1.947 455 HA GLU 64 HA GLU 64 11.932 -10.789 0.742 456 HB2 GLU 64 1HB GLU 64 9.481 -10.956 1.897 457 HB3 GLU 64 2HB GLU 64 9.025 -10.592 0.239 458 HG2 GLU 64 1HG GLU 64 9.080 -12.838 0.076 459 HG3 GLU 64 2HG GLU 64 10.783 -12.522 -0.252 460 H ALA 65 H ALA 65 11.391 -11.133 -1.608 461 HA ALA 65 HA ALA 65 12.038 -8.884 -3.121 462 HB1 ALA 65 3HB ALA 65 12.104 -10.289 -4.895 463 HB2 ALA 65 1HB ALA 65 10.551 -11.031 -4.508 464 HB3 ALA 65 2HB ALA 65 12.003 -11.518 -3.635 465 H ALA 66 H ALA 66 10.883 -7.177 -3.708 466 HA ALA 66 HA ALA 66 8.185 -6.809 -3.085 467 HB1 ALA 66 3HB ALA 66 8.554 -4.955 -5.023 468 HB2 ALA 66 1HB ALA 66 10.224 -5.307 -4.576 469 HB3 ALA 66 2HB ALA 66 9.080 -4.766 -3.348 470 H ALA 67 H ALA 67 6.349 -7.365 -4.048 471 HA ALA 67 HA ALA 67 6.466 -8.656 -6.665 472 HB1 ALA 67 3HB ALA 67 3.887 -8.942 -5.870 473 HB2 ALA 67 1HB ALA 67 4.714 -8.849 -4.314 474 HB3 ALA 67 2HB ALA 67 5.180 -10.079 -5.489 475 H LEU 68 H LEU 68 4.222 -8.276 -7.905 476 HA LEU 68 HA LEU 68 3.133 -5.652 -7.791 477 HB2 LEU 68 1HB LEU 68 5.472 -5.366 -8.821 478 HB3 LEU 68 2HB LEU 68 4.804 -6.157 -10.233 479 HG LEU 68 HG LEU 68 3.698 -3.616 -9.041 480 HD11 LEU 68 1HD1 LEU 68 5.499 -3.986 -11.427 481 HD12 LEU 68 2HD1 LEU 68 5.957 -3.261 -9.885 482 HD13 LEU 68 3HD1 LEU 68 4.760 -2.470 -10.910 483 HD21 LEU 68 3HD2 LEU 68 3.056 -5.225 -11.490 484 HD22 LEU 68 1HD2 LEU 68 2.703 -3.498 -11.406 485 HD23 LEU 68 2HD2 LEU 68 1.967 -4.606 -10.249 486 H GLY 69 H GLY 69 3.863 -8.244 -10.147 487 HA2 GLY 69 1HA GLY 69 1.170 -8.024 -11.244 488 HA3 GLY 69 2HA GLY 69 2.476 -9.011 -11.879 489 H GLU 70 H GLU 70 1.856 -9.244 -8.482 490 HA GLU 70 HA GLU 70 -0.153 -11.205 -8.492 491 HB2 GLU 70 1HB GLU 70 1.358 -13.160 -7.850 492 HB3 GLU 70 2HB GLU 70 1.301 -12.731 -9.553 493 HG2 GLU 70 1HG GLU 70 3.413 -11.528 -9.323 494 HG3 GLU 70 2HG GLU 70 3.468 -11.953 -7.614 495 H ALA 71 H ALA 71 -0.963 -10.351 -6.656 496 HA ALA 71 HA ALA 71 0.678 -9.627 -4.420 497 HB1 ALA 71 3HB ALA 71 -1.328 -8.378 -4.804 498 HB2 ALA 71 1HB ALA 71 -1.489 -9.235 -3.271 499 HB3 ALA 71 2HB ALA 71 -2.310 -9.840 -4.710 500 H THR 72 H THR 72 -0.333 -12.613 -5.529 501 HA THR 72 HA THR 72 -0.736 -13.796 -2.901 502 HB THR 72 HB THR 72 -2.175 -14.478 -4.791 503 HG1 THR 72 HG1 THR 72 -2.044 -16.658 -4.375 504 HG21 THR 72 3HG2 THR 72 0.413 -15.137 -6.059 505 HG22 THR 72 1HG2 THR 72 -1.086 -14.546 -6.770 506 HG23 THR 72 2HG2 THR 72 -0.933 -16.245 -6.323 507 H ALA 73 H ALA 73 1.859 -12.652 -3.474 508 HA ALA 73 HA ALA 73 3.631 -14.931 -3.872 509 HB1 ALA 73 3HB ALA 73 4.744 -13.283 -4.912 510 HB2 ALA 73 1HB ALA 73 5.251 -12.798 -3.294 511 HB3 ALA 73 2HB ALA 73 3.865 -12.018 -4.054 512 H ALA 74 H ALA 74 5.740 -14.488 -2.277 513 HA ALA 74 HA ALA 74 5.052 -15.594 0.169 514 HB1 ALA 74 3HB ALA 74 7.478 -13.944 0.236 515 HB2 ALA 74 1HB ALA 74 7.398 -15.094 -1.099 516 HB3 ALA 74 2HB ALA 74 7.260 -15.663 0.563 517 H GLY 75 H GLY 75 5.273 -12.193 -0.740 518 HA2 GLY 75 1HA GLY 75 3.598 -11.319 1.323 519 HA3 GLY 75 2HA GLY 75 5.256 -11.078 1.846 520 H ASP 76 H ASP 76 3.090 -9.137 1.197 521 HA ASP 76 HA ASP 76 4.103 -7.787 -1.176 522 HB2 ASP 76 1HB ASP 76 1.800 -7.189 0.687 523 HB3 ASP 76 2HB ASP 76 2.278 -6.110 -0.615 524 H GLU 77 H GLU 77 3.140 -6.327 1.901 525 HA GLU 77 HA GLU 77 5.812 -5.391 2.460 526 HB2 GLU 77 1HB GLU 77 5.286 -3.021 2.370 527 HB3 GLU 77 2HB GLU 77 4.994 -3.752 0.801 528 HG2 GLU 77 1HG GLU 77 2.641 -3.711 1.128 529 HG3 GLU 77 2HG GLU 77 2.828 -3.241 2.816 530 H LEU 78 H LEU 78 5.389 -3.524 4.356 531 HA LEU 78 HA LEU 78 3.726 -4.952 6.323 532 HB2 LEU 78 1HB LEU 78 6.320 -3.523 6.479 533 HB3 LEU 78 2HB LEU 78 5.253 -3.368 7.861 534 HG LEU 78 HG LEU 78 6.296 -5.967 6.726 535 HD11 LEU 78 1HD1 LEU 78 7.007 -4.422 9.213 536 HD12 LEU 78 2HD1 LEU 78 8.049 -4.749 7.829 537 HD13 LEU 78 3HD1 LEU 78 7.529 -6.071 8.873 538 HD21 LEU 78 3HD2 LEU 78 5.358 -6.689 9.086 539 HD22 LEU 78 1HD2 LEU 78 4.320 -6.647 7.662 540 HD23 LEU 78 2HD2 LEU 78 4.280 -5.319 8.820 541 H ALA 79 H ALA 79 4.587 -1.754 5.088 542 HA ALA 79 HA ALA 79 1.996 -0.703 5.553 543 HB1 ALA 79 3HB ALA 79 2.507 -0.474 7.823 544 HB2 ALA 79 1HB ALA 79 2.850 1.122 7.154 545 HB3 ALA 79 2HB ALA 79 4.172 0.006 7.494 546 H LEU 80 H LEU 80 1.986 1.743 5.106 547 HA LEU 80 HA LEU 80 4.217 2.586 3.404 548 HB2 LEU 80 1HB LEU 80 1.891 1.549 2.338 549 HB3 LEU 80 2HB LEU 80 1.606 3.277 2.284 550 HG LEU 80 HG LEU 80 3.999 1.889 1.072 551 HD11 LEU 80 1HD1 LEU 80 2.733 2.787 -1.049 552 HD12 LEU 80 2HD1 LEU 80 1.323 2.629 0.000 553 HD13 LEU 80 3HD1 LEU 80 2.331 1.223 -0.343 554 HD21 LEU 80 3HD2 LEU 80 4.018 4.203 -0.143 555 HD22 LEU 80 1HD2 LEU 80 4.740 4.036 1.456 556 HD23 LEU 80 2HD2 LEU 80 3.132 4.738 1.284 557 H PHE 81 H PHE 81 4.875 4.355 4.470 558 HA PHE 81 HA PHE 81 2.932 6.179 5.652 559 HB2 PHE 81 1HB PHE 81 4.956 5.471 6.924 560 HB3 PHE 81 2HB PHE 81 5.955 6.289 5.728 561 HD1 PHE 81 HD1 PHE 81 3.026 7.041 7.925 562 HD2 PHE 81 HD2 PHE 81 6.701 8.388 6.254 563 HE1 PHE 81 HE1 PHE 81 2.835 9.134 9.201 564 HE2 PHE 81 HE2 PHE 81 6.515 10.483 7.529 565 HZ PHE 81 HZ PHE 81 4.580 10.859 9.004 566 HA PRO 82 HA PRO 82 2.922 8.554 1.819 567 HB2 PRO 82 1HB PRO 82 1.569 10.468 3.663 568 HB3 PRO 82 2HB PRO 82 1.074 9.904 2.062 569 HG2 PRO 82 1HG PRO 82 -0.129 8.979 4.239 570 HG3 PRO 82 2HG PRO 82 0.237 7.897 2.882 571 HD2 PRO 82 1HD PRO 82 1.631 8.180 5.511 572 HD3 PRO 82 2HD PRO 82 1.300 6.719 4.559 573 HA PRO 83 HA PRO 83 6.193 11.502 2.058 574 HB2 PRO 83 1HB PRO 83 4.477 13.554 0.795 575 HB3 PRO 83 2HB PRO 83 6.006 12.868 0.241 576 HG2 PRO 83 1HG PRO 83 3.691 12.221 -0.929 577 HG3 PRO 83 2HG PRO 83 4.987 11.029 -0.719 578 HD2 PRO 83 1HD PRO 83 2.458 11.374 0.836 579 HD3 PRO 83 2HD PRO 83 3.279 9.883 0.331 580 H VAL 84 H VAL 84 6.969 12.878 3.558 581 HA VAL 84 HA VAL 84 5.198 14.847 4.792 582 HB VAL 84 HB VAL 84 6.811 12.917 6.471 583 HG11 VAL 84 1HG1 VAL 84 5.852 13.979 8.366 584 HG12 VAL 84 2HG1 VAL 84 4.745 14.918 7.365 585 HG13 VAL 84 3HG1 VAL 84 6.475 15.264 7.329 586 HG21 VAL 84 3HG2 VAL 84 3.865 13.013 5.861 587 HG22 VAL 84 1HG2 VAL 84 4.539 12.141 7.238 588 HG23 VAL 84 2HG2 VAL 84 4.987 11.679 5.596 589 H SER 85 H SER 85 6.218 16.728 4.696 590 HA SER 85 HA SER 85 8.763 17.204 5.789 591 HB2 SER 85 1HB SER 85 9.965 17.839 3.672 592 HB3 SER 85 2HB SER 85 9.697 16.107 3.853 593 HG SER 85 HG SER 85 8.059 16.215 2.358 594 H GLY 86 H GLY 86 7.021 18.454 2.931 595 HA2 GLY 86 1HA GLY 86 7.000 21.112 4.204 596 HA3 GLY 86 2HA GLY 86 6.886 20.817 2.477 597 H GLY 87 H GLY 87 4.908 18.656 2.798 598 HA2 GLY 87 1HA GLY 87 2.557 20.359 3.018 599 HA3 GLY 87 2HA GLY 87 2.603 18.715 2.398 Start of MODEL 19 1 H1 MET 1 1H MET 1 2.061 -10.452 3.110 2 H2 MET 1 2H MET 1 1.834 -9.435 4.473 3 H3 MET 1 3H MET 1 2.052 -8.750 2.914 4 HA MET 1 HA MET 1 0.001 -9.393 2.187 5 HB2 MET 1 1HB MET 1 -1.407 -10.972 3.542 6 HB3 MET 1 2HB MET 1 0.053 -11.692 2.880 7 HG2 MET 1 1HG MET 1 0.977 -12.030 4.913 8 HG3 MET 1 2HG MET 1 0.260 -10.576 5.605 9 HE1 MET 1 3HE MET 1 -2.610 -10.536 5.946 10 HE2 MET 1 1HE MET 1 -1.455 -10.615 7.276 11 HE3 MET 1 2HE MET 1 -2.873 -11.663 7.277 12 H GLU 2 H GLU 2 1.050 -7.270 3.876 13 HA GLU 2 HA GLU 2 -1.481 -6.361 5.009 14 HB2 GLU 2 1HB GLU 2 0.249 -5.347 6.866 15 HB3 GLU 2 2HB GLU 2 -0.756 -6.769 7.099 16 HG2 GLU 2 1HG GLU 2 0.995 -8.217 6.897 17 HG3 GLU 2 2HG GLU 2 1.920 -7.134 5.863 18 H TRP 3 H TRP 3 -1.516 -4.029 5.414 19 HA TRP 3 HA TRP 3 0.531 -2.430 4.106 20 HB2 TRP 3 1HB TRP 3 -2.367 -2.418 3.217 21 HB3 TRP 3 2HB TRP 3 -1.153 -1.253 2.702 22 HD1 TRP 3 HD TRP 3 -1.836 -5.060 2.449 23 HE1 TRP 3 HE1 TRP 3 -0.820 -5.901 0.243 24 HE3 TRP 3 HE3 TRP 3 0.374 -0.729 0.871 25 HZ2 TRP 3 HZ2 TRP 3 0.715 -4.867 -1.888 26 HZ3 TRP 3 HZ3 TRP 3 1.597 -0.741 -1.264 27 HH2 TRP 3 HH TRP 3 1.762 -2.769 -2.611 28 H LYS 4 H LYS 4 0.598 -0.318 4.856 29 HA LYS 4 HA LYS 4 -1.488 0.516 6.746 30 HB2 LYS 4 1HB LYS 4 1.383 0.074 7.304 31 HB3 LYS 4 2HB LYS 4 0.705 1.566 7.941 32 HG2 LYS 4 1HG LYS 4 -1.187 -0.228 8.690 33 HG3 LYS 4 2HG LYS 4 0.274 -1.213 8.770 34 HD2 LYS 4 1HD LYS 4 0.560 1.462 9.933 35 HD3 LYS 4 2HD LYS 4 -0.621 0.441 10.753 36 HE2 LYS 4 1HE LYS 4 0.955 -0.945 11.565 37 HE3 LYS 4 2HE LYS 4 1.904 -0.897 10.080 38 HZ1 LYS 4 3HZ LYS 4 1.879 1.533 11.690 39 HZ2 LYS 4 1HZ LYS 4 3.144 0.821 10.819 40 HZ3 LYS 4 2HZ LYS 4 2.715 0.212 12.337 41 H LEU 5 H LEU 5 -1.894 2.727 6.796 42 HA LEU 5 HA LEU 5 -0.270 4.402 5.000 43 HB2 LEU 5 1HB LEU 5 -2.503 3.490 4.039 44 HB3 LEU 5 2HB LEU 5 -3.255 4.669 5.094 45 HG LEU 5 HG LEU 5 -1.886 6.443 3.942 46 HD11 LEU 5 1HD1 LEU 5 -0.463 5.992 2.270 47 HD12 LEU 5 2HD1 LEU 5 -1.500 4.739 1.588 48 HD13 LEU 5 3HD1 LEU 5 -0.443 4.364 2.948 49 HD21 LEU 5 3HD2 LEU 5 -4.082 6.457 3.267 50 HD22 LEU 5 1HD2 LEU 5 -4.010 4.815 2.626 51 HD23 LEU 5 2HD2 LEU 5 -3.264 6.144 1.736 52 H PHE 6 H PHE 6 -0.473 6.712 5.373 53 HA PHE 6 HA PHE 6 -0.775 7.283 8.210 54 HB2 PHE 6 1HB PHE 6 1.192 8.051 6.715 55 HB3 PHE 6 2HB PHE 6 0.077 9.277 6.120 56 HD1 PHE 6 HD2 PHE 6 1.153 7.876 9.415 57 HD2 PHE 6 HD1 PHE 6 0.227 11.333 7.114 58 HE1 PHE 6 HE2 PHE 6 1.697 9.302 11.345 59 HE2 PHE 6 HE1 PHE 6 0.769 12.765 9.039 60 HZ PHE 6 HZ PHE 6 1.504 11.750 11.159 61 H ALA 7 H ALA 7 -1.860 9.311 8.893 62 HA ALA 7 HA ALA 7 -4.547 9.359 8.113 63 HB1 ALA 7 3HB ALA 7 -2.866 11.252 9.714 64 HB2 ALA 7 1HB ALA 7 -4.115 10.135 10.267 65 HB3 ALA 7 2HB ALA 7 -4.565 11.588 9.374 66 H ASP 8 H ASP 8 -1.803 10.985 6.748 67 HA ASP 8 HA ASP 8 -2.971 13.223 5.581 68 HB2 ASP 8 1HB ASP 8 -0.624 11.504 4.892 69 HB3 ASP 8 2HB ASP 8 -1.179 12.678 3.704 70 H LEU 9 H LEU 9 -3.110 9.853 4.654 71 HA LEU 9 HA LEU 9 -4.768 10.562 2.325 72 HB2 LEU 9 1HB LEU 9 -2.952 8.259 2.906 73 HB3 LEU 9 2HB LEU 9 -4.269 8.066 1.765 74 HG LEU 9 HG LEU 9 -2.844 10.462 1.118 75 HD11 LEU 9 1HD1 LEU 9 -0.712 9.206 0.420 76 HD12 LEU 9 2HD1 LEU 9 -1.157 8.052 1.679 77 HD13 LEU 9 3HD1 LEU 9 -0.867 9.743 2.092 78 HD21 LEU 9 3HD2 LEU 9 -3.431 7.835 -0.189 79 HD22 LEU 9 1HD2 LEU 9 -2.372 9.011 -0.969 80 HD23 LEU 9 2HD2 LEU 9 -4.036 9.443 -0.585 81 H ALA 10 H ALA 10 -4.566 8.493 5.202 82 HA ALA 10 HA ALA 10 -7.016 7.122 4.783 83 HB1 ALA 10 3HB ALA 10 -4.976 7.185 6.780 84 HB2 ALA 10 1HB ALA 10 -6.188 5.945 6.461 85 HB3 ALA 10 2HB ALA 10 -6.557 7.276 7.556 86 H GLU 11 H GLU 11 -6.418 10.359 5.645 87 HA GLU 11 HA GLU 11 -8.668 10.798 7.333 88 HB2 GLU 11 1HB GLU 11 -6.766 12.302 7.383 89 HB3 GLU 11 2HB GLU 11 -7.005 12.715 5.693 90 HG2 GLU 11 1HG GLU 11 -8.976 13.916 6.161 91 HG3 GLU 11 2HG GLU 11 -9.088 13.246 7.788 92 H VAL 12 H VAL 12 -8.248 10.647 3.863 93 HA VAL 12 HA VAL 12 -10.834 11.928 3.409 94 HB VAL 12 HB VAL 12 -9.020 10.779 1.301 95 HG11 VAL 12 1HG1 VAL 12 -10.272 12.868 0.165 96 HG12 VAL 12 2HG1 VAL 12 -11.499 12.381 1.334 97 HG13 VAL 12 3HG1 VAL 12 -10.909 11.225 0.141 98 HG21 VAL 12 3HG2 VAL 12 -8.076 13.000 1.029 99 HG22 VAL 12 1HG2 VAL 12 -7.785 12.413 2.664 100 HG23 VAL 12 2HG2 VAL 12 -9.051 13.601 2.369 101 H ALA 13 H ALA 13 -9.271 8.775 2.893 102 HA ALA 13 HA ALA 13 -11.737 7.607 1.927 103 HB1 ALA 13 3HB ALA 13 -10.493 5.863 1.209 104 HB2 ALA 13 1HB ALA 13 -9.487 5.842 2.655 105 HB3 ALA 13 2HB ALA 13 -9.179 7.026 1.385 106 H GLY 14 H GLY 14 -9.972 7.785 4.945 107 HA2 GLY 14 1HA GLY 14 -11.007 7.436 7.048 108 HA3 GLY 14 2HA GLY 14 -12.199 6.412 6.266 109 H SER 15 H SER 15 -9.860 5.053 4.811 110 HA SER 15 HA SER 15 -8.988 3.374 7.070 111 HB2 SER 15 1HB SER 15 -10.539 2.623 4.852 112 HB3 SER 15 2HB SER 15 -8.926 1.989 4.526 113 HG SER 15 HG SER 15 -9.076 0.684 6.216 114 H ARG 16 H ARG 16 -6.869 3.082 7.315 115 HA ARG 16 HA ARG 16 -5.083 4.054 5.195 116 HB2 ARG 16 1HB ARG 16 -3.538 3.826 7.483 117 HB3 ARG 16 2HB ARG 16 -4.203 5.311 6.825 118 HG2 ARG 16 1HG ARG 16 -6.161 5.076 8.269 119 HG3 ARG 16 2HG ARG 16 -5.497 3.576 8.922 120 HD2 ARG 16 1HD ARG 16 -3.574 5.730 9.057 121 HD3 ARG 16 2HD ARG 16 -5.075 6.161 9.875 122 HE ARG 16 HE ARG 16 -4.559 3.685 10.822 123 HH11 ARG 16 1HH1 ARG 16 -2.624 6.596 10.608 124 HH12 ARG 16 2HH1 ARG 16 -1.687 6.223 12.015 125 HH21 ARG 16 1HH2 ARG 16 -3.320 3.200 12.674 126 HH22 ARG 16 2HH2 ARG 16 -2.082 4.296 13.187 127 H THR 17 H THR 17 -5.399 1.549 7.701 128 HA THR 17 HA THR 17 -3.336 -0.039 6.399 129 HB THR 17 HB THR 17 -3.204 -1.312 8.346 130 HG1 THR 17 HG1 THR 17 -4.999 -2.027 9.128 131 HG21 THR 17 3HG2 THR 17 -2.705 0.159 9.963 132 HG22 THR 17 1HG2 THR 17 -4.266 0.974 9.858 133 HG23 THR 17 2HG2 THR 17 -2.997 1.341 8.688 134 H VAL 18 H VAL 18 -3.666 -1.992 5.409 135 HA VAL 18 HA VAL 18 -6.387 -3.060 5.271 136 HB VAL 18 HB VAL 18 -4.778 -2.682 2.750 137 HG11 VAL 18 1HG1 VAL 18 -7.430 -3.775 3.451 138 HG12 VAL 18 2HG1 VAL 18 -6.317 -4.226 2.158 139 HG13 VAL 18 3HG1 VAL 18 -7.346 -2.803 1.981 140 HG21 VAL 18 3HG2 VAL 18 -5.278 -0.469 3.686 141 HG22 VAL 18 1HG2 VAL 18 -6.987 -0.895 3.769 142 HG23 VAL 18 2HG2 VAL 18 -6.183 -0.771 2.203 143 H ARG 19 H ARG 19 -6.375 -5.202 5.531 144 HA ARG 19 HA ARG 19 -3.834 -6.639 5.297 145 HB2 ARG 19 1HB ARG 19 -6.469 -7.510 6.507 146 HB3 ARG 19 2HB ARG 19 -4.974 -8.435 6.542 147 HG2 ARG 19 1HG ARG 19 -3.931 -6.880 7.986 148 HG3 ARG 19 2HG ARG 19 -5.212 -5.691 7.744 149 HD2 ARG 19 1HD ARG 19 -6.642 -7.798 8.671 150 HD3 ARG 19 2HD ARG 19 -5.113 -8.043 9.513 151 HE ARG 19 HE ARG 19 -5.550 -6.192 10.789 152 HH11 ARG 19 1HH1 ARG 19 -7.735 -6.217 8.052 153 HH12 ARG 19 2HH1 ARG 19 -8.704 -4.917 8.656 154 HH21 ARG 19 1HH2 ARG 19 -6.830 -4.475 11.579 155 HH22 ARG 19 2HH2 ARG 19 -8.191 -3.927 10.659 156 H VAL 20 H VAL 20 -3.715 -8.688 4.198 157 HA VAL 20 HA VAL 20 -5.526 -8.805 1.888 158 HB VAL 20 HB VAL 20 -2.862 -10.193 2.216 159 HG11 VAL 20 1HG1 VAL 20 -4.467 -11.172 0.579 160 HG12 VAL 20 2HG1 VAL 20 -2.967 -10.590 -0.143 161 HG13 VAL 20 3HG1 VAL 20 -4.443 -9.637 -0.289 162 HG21 VAL 20 3HG2 VAL 20 -3.167 -7.495 2.045 163 HG22 VAL 20 1HG2 VAL 20 -3.052 -7.941 0.344 164 HG23 VAL 20 2HG2 VAL 20 -1.763 -8.384 1.459 165 H ASP 21 H ASP 21 -7.058 -10.307 1.858 166 HA ASP 21 HA ASP 21 -6.713 -12.718 3.510 167 HB2 ASP 21 1HB ASP 21 -9.026 -10.962 2.952 168 HB3 ASP 21 2HB ASP 21 -9.371 -12.688 2.994 169 H VAL 22 H VAL 22 -8.823 -11.946 0.761 170 HA VAL 22 HA VAL 22 -8.107 -14.521 -0.435 171 HB VAL 22 HB VAL 22 -10.501 -14.090 -0.122 172 HG11 VAL 22 1HG1 VAL 22 -11.129 -11.947 -0.317 173 HG12 VAL 22 2HG1 VAL 22 -11.296 -12.320 -2.031 174 HG13 VAL 22 3HG1 VAL 22 -9.823 -11.560 -1.436 175 HG21 VAL 22 3HG2 VAL 22 -10.023 -13.982 -3.079 176 HG22 VAL 22 1HG2 VAL 22 -11.202 -14.931 -2.172 177 HG23 VAL 22 2HG2 VAL 22 -9.495 -15.370 -2.127 178 H ASP 23 H ASP 23 -7.392 -14.719 -2.558 179 HA ASP 23 HA ASP 23 -5.980 -12.393 -3.572 180 HB2 ASP 23 1HB ASP 23 -5.015 -14.773 -3.392 181 HB3 ASP 23 2HB ASP 23 -5.977 -15.134 -4.822 182 H GLY 24 H GLY 24 -6.405 -11.327 -5.442 183 HA2 GLY 24 1HA GLY 24 -8.280 -12.371 -7.380 184 HA3 GLY 24 2HA GLY 24 -8.884 -10.997 -6.466 185 H ASP 25 H ASP 25 -8.661 -9.126 -7.510 186 HA ASP 25 HA ASP 25 -6.518 -8.863 -9.499 187 HB2 ASP 25 1HB ASP 25 -9.135 -8.356 -9.816 188 HB3 ASP 25 2HB ASP 25 -8.616 -6.772 -9.249 189 H ALA 26 H ALA 26 -5.859 -8.675 -6.737 190 HA ALA 26 HA ALA 26 -5.209 -5.813 -6.470 191 HB1 ALA 26 3HB ALA 26 -5.967 -7.888 -4.499 192 HB2 ALA 26 1HB ALA 26 -6.313 -6.160 -4.519 193 HB3 ALA 26 2HB ALA 26 -4.728 -6.734 -4.003 194 H THR 27 H THR 27 -3.162 -5.312 -6.867 195 HA THR 27 HA THR 27 -1.100 -7.379 -6.480 196 HB THR 27 HB THR 27 -0.228 -5.224 -8.191 197 HG1 THR 27 HG1 THR 27 -2.503 -6.654 -9.103 198 HG21 THR 27 3HG2 THR 27 0.826 -7.399 -8.174 199 HG22 THR 27 1HG2 THR 27 0.204 -7.016 -9.780 200 HG23 THR 27 2HG2 THR 27 -0.668 -8.144 -8.742 201 H VAL 28 H VAL 28 1.174 -6.289 -6.250 202 HA VAL 28 HA VAL 28 1.044 -4.674 -3.876 203 HB VAL 28 HB VAL 28 3.500 -5.493 -5.440 204 HG11 VAL 28 1HG1 VAL 28 3.306 -4.824 -2.514 205 HG12 VAL 28 2HG1 VAL 28 3.677 -3.617 -3.746 206 HG13 VAL 28 3HG1 VAL 28 4.754 -4.991 -3.508 207 HG21 VAL 28 3HG2 VAL 28 2.916 -7.580 -4.866 208 HG22 VAL 28 1HG2 VAL 28 1.717 -7.028 -3.697 209 HG23 VAL 28 2HG2 VAL 28 3.419 -7.115 -3.242 210 H GLY 29 H GLY 29 2.006 -4.241 -7.250 211 HA2 GLY 29 1HA GLY 29 2.812 -1.508 -6.813 212 HA3 GLY 29 2HA GLY 29 2.724 -2.332 -8.361 213 H ASP 30 H ASP 30 -0.028 -3.224 -7.928 214 HA ASP 30 HA ASP 30 -1.415 -1.095 -9.122 215 HB2 ASP 30 1HB ASP 30 -2.133 -3.392 -9.424 216 HB3 ASP 30 2HB ASP 30 -2.445 -3.560 -7.699 217 H ALA 31 H ALA 31 -1.408 -2.289 -5.772 218 HA ALA 31 HA ALA 31 -3.233 -0.275 -4.842 219 HB1 ALA 31 3HB ALA 31 -2.540 -2.693 -3.873 220 HB2 ALA 31 1HB ALA 31 -3.266 -1.418 -2.892 221 HB3 ALA 31 2HB ALA 31 -1.520 -1.655 -2.877 222 H LEU 32 H LEU 32 0.237 -0.648 -5.083 223 HA LEU 32 HA LEU 32 1.082 1.318 -3.301 224 HB2 LEU 32 1HB LEU 32 2.636 -0.221 -4.375 225 HB3 LEU 32 2HB LEU 32 2.285 0.482 -5.942 226 HG LEU 32 HG LEU 32 3.166 2.568 -4.201 227 HD11 LEU 32 1HD1 LEU 32 5.327 0.543 -4.471 228 HD12 LEU 32 2HD1 LEU 32 4.191 0.399 -3.130 229 HD13 LEU 32 3HD1 LEU 32 5.153 1.865 -3.317 230 HD21 LEU 32 3HD2 LEU 32 3.480 2.919 -6.457 231 HD22 LEU 32 1HD2 LEU 32 4.069 1.280 -6.739 232 HD23 LEU 32 2HD2 LEU 32 5.104 2.464 -5.940 233 H ASP 33 H ASP 33 0.585 1.618 -6.825 234 HA ASP 33 HA ASP 33 0.870 4.409 -6.934 235 HB2 ASP 33 1HB ASP 33 0.984 2.988 -8.930 236 HB3 ASP 33 2HB ASP 33 -0.724 2.604 -8.766 237 H ALA 34 H ALA 34 -1.960 2.357 -6.406 238 HA ALA 34 HA ALA 34 -3.948 4.321 -6.568 239 HB1 ALA 34 3HB ALA 34 -3.986 1.659 -6.158 240 HB2 ALA 34 1HB ALA 34 -5.370 2.710 -5.861 241 HB3 ALA 34 2HB ALA 34 -4.328 2.226 -4.524 242 H LEU 35 H LEU 35 -2.285 3.060 -3.676 243 HA LEU 35 HA LEU 35 -3.400 4.900 -1.863 244 HB2 LEU 35 1HB LEU 35 -1.042 3.076 -1.844 245 HB3 LEU 35 2HB LEU 35 -1.153 4.303 -0.598 246 HG LEU 35 HG LEU 35 -3.223 3.394 0.219 247 HD11 LEU 35 1HD1 LEU 35 -4.360 1.538 -0.767 248 HD12 LEU 35 2HD1 LEU 35 -3.088 1.327 -1.970 249 HD13 LEU 35 3HD1 LEU 35 -4.123 2.754 -2.020 250 HD21 LEU 35 3HD2 LEU 35 -1.382 2.312 1.190 251 HD22 LEU 35 1HD2 LEU 35 -1.053 1.376 -0.270 252 HD23 LEU 35 2HD2 LEU 35 -2.473 1.011 0.712 253 H VAL 36 H VAL 36 -0.819 5.206 -4.167 254 HA VAL 36 HA VAL 36 0.327 7.543 -2.894 255 HB VAL 36 HB VAL 36 0.879 6.312 -5.601 256 HG11 VAL 36 1HG1 VAL 36 2.851 7.762 -5.672 257 HG12 VAL 36 2HG1 VAL 36 2.342 8.529 -4.168 258 HG13 VAL 36 3HG1 VAL 36 1.362 8.706 -5.622 259 HG21 VAL 36 3HG2 VAL 36 2.929 6.328 -3.489 260 HG22 VAL 36 1HG2 VAL 36 2.495 5.066 -4.642 261 HG23 VAL 36 2HG2 VAL 36 1.531 5.297 -3.182 262 H GLY 37 H GLY 37 -1.507 6.901 -5.901 263 HA2 GLY 37 1HA GLY 37 -2.727 9.534 -5.693 264 HA3 GLY 37 2HA GLY 37 -1.658 9.327 -7.064 265 H ALA 38 H ALA 38 -2.518 6.451 -7.370 266 HA ALA 38 HA ALA 38 -4.590 6.888 -9.234 267 HB1 ALA 38 3HB ALA 38 -4.465 4.127 -8.515 268 HB2 ALA 38 1HB ALA 38 -2.832 4.788 -8.578 269 HB3 ALA 38 2HB ALA 38 -3.891 4.925 -9.979 270 H HIS 39 H HIS 39 -4.856 6.753 -5.894 271 HA HIS 39 HA HIS 39 -7.688 6.019 -6.110 272 HB2 HIS 39 1HB HIS 39 -5.822 4.494 -4.775 273 HB3 HIS 39 2HB HIS 39 -6.474 5.497 -3.487 274 HD1 HIS 39 HD1 HIS 39 -6.906 2.300 -4.263 275 HD2 HIS 39 HD2 HIS 39 -9.638 5.429 -4.392 276 HE1 HIS 39 HE1 HIS 39 -9.171 1.221 -4.102 277 HE2 HIS 39 HE2 HIS 39 -10.809 3.134 -4.143 278 HA PRO 40 HA PRO 40 -7.013 10.443 -4.652 279 HB2 PRO 40 1HB PRO 40 -9.694 10.402 -5.961 280 HB3 PRO 40 2HB PRO 40 -8.452 11.659 -5.995 281 HG2 PRO 40 1HG PRO 40 -8.765 10.075 -8.083 282 HG3 PRO 40 2HG PRO 40 -7.131 10.475 -7.518 283 HD2 PRO 40 1HD PRO 40 -8.694 7.951 -7.166 284 HD3 PRO 40 2HD PRO 40 -6.955 8.175 -7.446 285 H ALA 41 H ALA 41 -9.369 7.946 -4.095 286 HA ALA 41 HA ALA 41 -11.190 9.156 -2.407 287 HB1 ALA 41 3HB ALA 41 -11.393 6.885 -1.340 288 HB2 ALA 41 1HB ALA 41 -10.060 6.367 -2.372 289 HB3 ALA 41 2HB ALA 41 -11.571 6.920 -3.095 290 H LEU 42 H LEU 42 -7.827 8.464 -1.798 291 HA LEU 42 HA LEU 42 -8.185 8.944 1.067 292 HB2 LEU 42 1HB LEU 42 -5.578 8.253 -0.239 293 HB3 LEU 42 2HB LEU 42 -6.065 8.023 1.426 294 HG LEU 42 HG LEU 42 -7.810 6.484 -0.235 295 HD11 LEU 42 1HD1 LEU 42 -6.426 5.134 -1.503 296 HD12 LEU 42 2HD1 LEU 42 -4.973 5.625 -0.631 297 HD13 LEU 42 3HD1 LEU 42 -5.738 6.736 -1.767 298 HD21 LEU 42 3HD2 LEU 42 -7.604 5.603 1.842 299 HD22 LEU 42 1HD2 LEU 42 -5.914 6.078 2.001 300 HD23 LEU 42 2HD2 LEU 42 -6.345 4.656 1.054 301 H GLU 43 H GLU 43 -7.131 10.551 -1.807 302 HA GLU 43 HA GLU 43 -5.799 12.614 -0.186 303 HB2 GLU 43 1HB GLU 43 -4.584 13.297 -2.104 304 HB3 GLU 43 2HB GLU 43 -4.507 11.543 -2.072 305 HG2 GLU 43 1HG GLU 43 -6.711 12.013 -3.626 306 HG3 GLU 43 2HG GLU 43 -5.645 13.345 -4.060 307 H SER 44 H SER 44 -6.749 14.534 0.101 308 HA SER 44 HA SER 44 -9.322 15.042 -1.094 309 HB2 SER 44 1HB SER 44 -7.635 16.492 0.937 310 HB3 SER 44 2HB SER 44 -9.087 17.233 0.262 311 HG SER 44 HG SER 44 -10.211 15.300 0.975 312 H ARG 45 H ARG 45 -6.178 16.741 -1.105 313 HA ARG 45 HA ARG 45 -6.490 17.505 -3.841 314 HB2 ARG 45 1HB ARG 45 -7.958 19.148 -2.633 315 HB3 ARG 45 2HB ARG 45 -6.523 19.737 -1.807 316 HG2 ARG 45 1HG ARG 45 -6.496 21.230 -3.483 317 HG3 ARG 45 2HG ARG 45 -5.702 19.926 -4.365 318 HD2 ARG 45 1HD ARG 45 -7.363 19.884 -5.837 319 HD3 ARG 45 2HD ARG 45 -8.520 19.554 -4.550 320 HE ARG 45 HE ARG 45 -7.994 22.097 -5.819 321 HH11 ARG 45 1HH1 ARG 45 -9.399 20.467 -3.055 322 HH12 ARG 45 2HH1 ARG 45 -10.438 21.789 -2.648 323 HH21 ARG 45 1HH2 ARG 45 -9.360 23.840 -5.270 324 HH22 ARG 45 2HH2 ARG 45 -10.417 23.703 -3.904 325 H VAL 46 H VAL 46 -4.582 18.212 -4.761 326 HA VAL 46 HA VAL 46 -2.318 18.954 -3.146 327 HB VAL 46 HB VAL 46 -2.237 16.516 -2.906 328 HG11 VAL 46 1HG1 VAL 46 -1.708 16.269 -5.848 329 HG12 VAL 46 2HG1 VAL 46 -3.337 16.128 -5.188 330 HG13 VAL 46 3HG1 VAL 46 -2.077 15.006 -4.674 331 HG21 VAL 46 3HG2 VAL 46 0.059 16.218 -3.443 332 HG22 VAL 46 1HG2 VAL 46 -0.162 17.922 -3.047 333 HG23 VAL 46 2HG2 VAL 46 -0.018 17.419 -4.731 334 H PHE 47 H PHE 47 -3.473 17.932 -6.343 335 HA PHE 47 HA PHE 47 -3.284 18.974 -8.369 336 HB2 PHE 47 1HB PHE 47 -2.732 21.090 -6.772 337 HB3 PHE 47 2HB PHE 47 -1.176 20.905 -7.577 338 HD1 PHE 47 HD2 PHE 47 -1.178 20.828 -10.137 339 HD2 PHE 47 HD1 PHE 47 -4.479 22.194 -7.824 340 HE1 PHE 47 HE2 PHE 47 -2.056 22.021 -12.101 341 HE2 PHE 47 HE1 PHE 47 -5.362 23.391 -9.785 342 HZ PHE 47 HZ PHE 47 -4.150 23.306 -11.925 343 H GLY 48 H GLY 48 -0.116 19.058 -6.704 344 HA2 GLY 48 1HA GLY 48 1.172 17.974 -9.075 345 HA3 GLY 48 2HA GLY 48 1.965 18.445 -7.576 346 H ASP 49 H ASP 49 -0.560 16.092 -8.514 347 HA ASP 49 HA ASP 49 -0.030 14.227 -6.535 348 HB2 ASP 49 1HB ASP 49 -1.403 14.185 -9.153 349 HB3 ASP 49 2HB ASP 49 -0.901 12.614 -8.535 350 H ASP 50 H ASP 50 1.248 14.352 -9.857 351 HA ASP 50 HA ASP 50 2.980 12.097 -9.452 352 HB2 ASP 50 1HB ASP 50 2.374 13.965 -11.671 353 HB3 ASP 50 2HB ASP 50 3.982 13.249 -11.678 354 H GLY 51 H GLY 51 3.233 15.561 -9.083 355 HA2 GLY 51 1HA GLY 51 4.918 16.465 -7.625 356 HA3 GLY 51 2HA GLY 51 6.002 15.189 -8.155 357 H GLU 52 H GLU 52 5.625 15.411 -10.941 358 HA GLU 52 HA GLU 52 6.485 16.492 -12.742 359 HB2 GLU 52 1HB GLU 52 4.896 18.455 -11.311 360 HB3 GLU 52 2HB GLU 52 6.206 19.217 -12.201 361 HG2 GLU 52 1HG GLU 52 5.261 18.807 -14.187 362 HG3 GLU 52 2HG GLU 52 4.747 17.187 -13.719 363 H LEU 53 H LEU 53 8.214 15.968 -10.390 364 HA LEU 53 HA LEU 53 10.574 17.181 -11.315 365 HB2 LEU 53 1HB LEU 53 9.080 18.753 -9.439 366 HB3 LEU 53 2HB LEU 53 10.569 18.225 -8.679 367 HG LEU 53 HG LEU 53 10.458 19.652 -11.337 368 HD11 LEU 53 1HD1 LEU 53 10.470 20.659 -8.555 369 HD12 LEU 53 2HD1 LEU 53 9.818 21.383 -10.025 370 HD13 LEU 53 3HD1 LEU 53 11.551 21.455 -9.700 371 HD21 LEU 53 3HD2 LEU 53 12.915 20.102 -10.383 372 HD22 LEU 53 1HD2 LEU 53 12.519 18.711 -11.392 373 HD23 LEU 53 2HD2 LEU 53 12.609 18.531 -9.639 374 H TYR 54 H TYR 54 9.372 16.368 -8.046 375 HA TYR 54 HA TYR 54 11.254 14.107 -8.004 376 HB2 TYR 54 1HB TYR 54 10.757 16.081 -5.768 377 HB3 TYR 54 2HB TYR 54 11.710 14.611 -5.614 378 HD1 TYR 54 HD1 TYR 54 13.701 14.389 -7.324 379 HD2 TYR 54 HD2 TYR 54 11.831 18.065 -6.278 380 HE1 TYR 54 HE1 TYR 54 15.705 15.610 -8.058 381 HE2 TYR 54 HE2 TYR 54 13.829 19.295 -7.011 382 HH TYR 54 HH TYR 54 16.301 18.800 -7.282 383 H ASP 55 H ASP 55 10.443 12.227 -7.281 384 HA ASP 55 HA ASP 55 7.890 12.264 -5.825 385 HB2 ASP 55 1HB ASP 55 7.645 11.733 -8.314 386 HB3 ASP 55 2HB ASP 55 8.500 10.234 -7.972 387 H HIS 56 H HIS 56 8.204 11.349 -3.915 388 HA HIS 56 HA HIS 56 9.822 8.903 -3.764 389 HB2 HIS 56 1HB HIS 56 10.803 11.247 -2.835 390 HB3 HIS 56 2HB HIS 56 9.932 10.695 -1.407 391 HD1 HIS 56 HD1 HIS 56 13.154 10.530 -2.861 392 HD2 HIS 56 HD2 HIS 56 10.747 7.806 -0.848 393 HE1 HIS 56 HE1 HIS 56 14.713 8.742 -2.030 394 HE2 HIS 56 HE2 HIS 56 13.213 7.034 -0.945 395 H ILE 57 H ILE 57 9.142 7.382 -2.250 396 HA ILE 57 HA ILE 57 6.878 7.978 -0.531 397 HB ILE 57 HB ILE 57 5.651 5.919 -1.397 398 HG12 ILE 57 1HG1 ILE 57 6.803 6.389 -4.082 399 HG13 ILE 57 2HG1 ILE 57 7.850 5.538 -2.948 400 HG21 ILE 57 1HG2 ILE 57 4.858 8.210 -1.722 401 HG22 ILE 57 2HG2 ILE 57 4.473 7.187 -3.105 402 HG23 ILE 57 3HG2 ILE 57 5.812 8.329 -3.201 403 HD11 ILE 57 3HD1 ILE 57 5.980 3.929 -2.565 404 HD12 ILE 57 1HD1 ILE 57 6.651 3.918 -4.196 405 HD13 ILE 57 2HD1 ILE 57 5.114 4.722 -3.881 406 H ASN 58 H ASN 58 7.591 7.244 1.357 407 HA ASN 58 HA ASN 58 9.500 5.133 1.585 408 HB2 ASN 58 1HB ASN 58 7.997 6.859 3.506 409 HB3 ASN 58 2HB ASN 58 8.777 5.400 4.110 410 HD21 ASN 58 2HD2 ASN 58 10.564 6.018 5.119 411 HD22 ASN 58 1HD2 ASN 58 11.750 7.106 4.492 412 H VAL 59 H VAL 59 9.241 3.037 2.176 413 HA VAL 59 HA VAL 59 6.541 2.058 2.769 414 HB VAL 59 HB VAL 59 6.897 1.804 0.340 415 HG11 VAL 59 1HG1 VAL 59 9.413 1.514 0.594 416 HG12 VAL 59 2HG1 VAL 59 8.608 0.494 -0.599 417 HG13 VAL 59 3HG1 VAL 59 9.068 -0.175 0.967 418 HG21 VAL 59 3HG2 VAL 59 6.243 -0.507 0.169 419 HG22 VAL 59 1HG2 VAL 59 5.516 0.190 1.616 420 HG23 VAL 59 2HG2 VAL 59 6.925 -0.858 1.757 421 H LEU 60 H LEU 60 6.466 0.041 3.853 422 HA LEU 60 HA LEU 60 9.010 -0.729 5.126 423 HB2 LEU 60 1HB LEU 60 6.865 0.238 6.401 424 HB3 LEU 60 2HB LEU 60 6.405 -1.451 6.361 425 HG LEU 60 HG LEU 60 7.486 -0.944 8.460 426 HD11 LEU 60 1HD1 LEU 60 7.933 -3.129 7.148 427 HD12 LEU 60 2HD1 LEU 60 8.920 -2.757 8.562 428 HD13 LEU 60 3HD1 LEU 60 9.559 -2.475 6.942 429 HD21 LEU 60 3HD2 LEU 60 8.941 0.886 7.157 430 HD22 LEU 60 1HD2 LEU 60 10.126 -0.418 7.243 431 HD23 LEU 60 2HD2 LEU 60 9.407 0.219 8.721 432 H ARG 61 H ARG 61 9.709 -2.764 4.897 433 HA ARG 61 HA ARG 61 7.877 -4.731 3.685 434 HB2 ARG 61 1HB ARG 61 10.500 -3.853 2.907 435 HB3 ARG 61 2HB ARG 61 10.558 -5.561 3.315 436 HG2 ARG 61 1HG ARG 61 9.180 -6.166 1.591 437 HG3 ARG 61 2HG ARG 61 8.373 -4.598 1.539 438 HD2 ARG 61 1HD ARG 61 11.197 -5.157 0.637 439 HD3 ARG 61 2HD ARG 61 9.802 -4.963 -0.423 440 HE ARG 61 HE ARG 61 9.819 -2.663 1.005 441 HH11 ARG 61 1HH1 ARG 61 12.252 -4.319 -0.893 442 HH12 ARG 61 2HH1 ARG 61 13.088 -2.862 -1.316 443 HH21 ARG 61 1HH2 ARG 61 10.932 -0.749 0.447 444 HH22 ARG 61 2HH2 ARG 61 12.340 -0.839 -0.557 445 H ASN 62 H ASN 62 7.862 -6.838 4.488 446 HA ASN 62 HA ASN 62 8.827 -7.095 7.222 447 HB2 ASN 62 1HB ASN 62 6.479 -7.701 6.573 448 HB3 ASN 62 2HB ASN 62 7.136 -9.036 5.633 449 HD21 ASN 62 2HD2 ASN 62 7.781 -7.721 8.882 450 HD22 ASN 62 1HD2 ASN 62 7.588 -9.226 9.704 451 H GLY 63 H GLY 63 10.505 -7.387 4.600 452 HA2 GLY 63 1HA GLY 63 12.622 -8.456 4.541 453 HA3 GLY 63 2HA GLY 63 11.978 -9.733 5.558 454 H GLU 64 H GLU 64 10.104 -8.647 2.846 455 HA GLU 64 HA GLU 64 10.788 -11.128 1.410 456 HB2 GLU 64 1HB GLU 64 8.362 -10.497 2.438 457 HB3 GLU 64 2HB GLU 64 8.213 -9.795 0.834 458 HG2 GLU 64 1HG GLU 64 7.363 -11.924 0.566 459 HG3 GLU 64 2HG GLU 64 9.019 -12.080 -0.017 460 H ALA 65 H ALA 65 10.440 -11.013 -0.970 461 HA ALA 65 HA ALA 65 11.877 -8.860 -2.096 462 HB1 ALA 65 3HB ALA 65 11.923 -11.086 -3.084 463 HB2 ALA 65 1HB ALA 65 11.361 -9.897 -4.262 464 HB3 ALA 65 2HB ALA 65 10.205 -10.968 -3.466 465 H ALA 66 H ALA 66 11.216 -6.942 -2.816 466 HA ALA 66 HA ALA 66 8.626 -5.974 -2.388 467 HB1 ALA 66 3HB ALA 66 9.576 -4.219 -4.219 468 HB2 ALA 66 1HB ALA 66 11.076 -4.955 -3.652 469 HB3 ALA 66 2HB ALA 66 9.982 -4.185 -2.504 470 H ALA 67 H ALA 67 7.030 -7.174 -3.346 471 HA ALA 67 HA ALA 67 7.087 -7.935 -6.098 472 HB1 ALA 67 3HB ALA 67 4.583 -8.382 -5.607 473 HB2 ALA 67 1HB ALA 67 5.021 -8.032 -3.936 474 HB3 ALA 67 2HB ALA 67 5.804 -9.358 -4.793 475 H LEU 68 H LEU 68 5.041 -7.334 -7.468 476 HA LEU 68 HA LEU 68 4.021 -4.682 -7.153 477 HB2 LEU 68 1HB LEU 68 6.405 -4.386 -8.005 478 HB3 LEU 68 2HB LEU 68 5.850 -5.098 -9.503 479 HG LEU 68 HG LEU 68 4.634 -2.612 -8.309 480 HD11 LEU 68 1HD1 LEU 68 7.060 -2.996 -9.950 481 HD12 LEU 68 2HD1 LEU 68 6.660 -1.730 -8.792 482 HD13 LEU 68 3HD1 LEU 68 5.981 -1.682 -10.419 483 HD21 LEU 68 3HD2 LEU 68 3.102 -3.540 -9.817 484 HD22 LEU 68 1HD2 LEU 68 4.370 -4.040 -10.938 485 HD23 LEU 68 2HD2 LEU 68 3.967 -2.333 -10.764 486 H GLY 69 H GLY 69 4.804 -6.970 -9.797 487 HA2 GLY 69 1HA GLY 69 2.075 -6.651 -10.820 488 HA3 GLY 69 2HA GLY 69 3.419 -7.389 -11.674 489 H GLU 70 H GLU 70 2.826 -8.305 -8.376 490 HA GLU 70 HA GLU 70 1.024 -10.425 -8.835 491 HB2 GLU 70 1HB GLU 70 2.731 -12.289 -8.435 492 HB3 GLU 70 2HB GLU 70 2.681 -11.584 -10.045 493 HG2 GLU 70 1HG GLU 70 4.597 -10.113 -9.336 494 HG3 GLU 70 2HG GLU 70 4.714 -11.109 -7.885 495 H ALA 71 H ALA 71 0.148 -9.566 -6.938 496 HA ALA 71 HA ALA 71 1.669 -9.390 -4.509 497 HB1 ALA 71 3HB ALA 71 -0.577 -8.977 -3.469 498 HB2 ALA 71 1HB ALA 71 -1.277 -9.172 -5.074 499 HB3 ALA 71 2HB ALA 71 -0.137 -7.864 -4.764 500 H THR 72 H THR 72 0.379 -12.006 -6.164 501 HA THR 72 HA THR 72 -0.313 -13.530 -3.787 502 HB THR 72 HB THR 72 -1.729 -13.699 -5.792 503 HG1 THR 72 HG1 THR 72 -1.983 -15.845 -5.636 504 HG21 THR 72 3HG2 THR 72 0.044 -15.444 -7.297 505 HG22 THR 72 1HG2 THR 72 0.578 -13.764 -7.264 506 HG23 THR 72 2HG2 THR 72 -1.038 -14.165 -7.849 507 H ALA 73 H ALA 73 2.539 -12.650 -4.865 508 HA ALA 73 HA ALA 73 3.759 -15.287 -4.414 509 HB1 ALA 73 3HB ALA 73 3.927 -14.320 -6.788 510 HB2 ALA 73 1HB ALA 73 5.401 -14.914 -6.023 511 HB3 ALA 73 2HB ALA 73 5.079 -13.183 -6.089 512 H ALA 74 H ALA 74 5.245 -15.416 -2.852 513 HA ALA 74 HA ALA 74 6.631 -14.876 -1.141 514 HB1 ALA 74 3HB ALA 74 7.515 -12.309 -1.462 515 HB2 ALA 74 1HB ALA 74 7.125 -12.783 -3.113 516 HB3 ALA 74 2HB ALA 74 8.258 -13.744 -2.166 517 H GLY 75 H GLY 75 5.317 -11.617 -1.734 518 HA2 GLY 75 1HA GLY 75 3.313 -11.616 0.201 519 HA3 GLY 75 2HA GLY 75 4.800 -11.144 1.011 520 H ASP 76 H ASP 76 2.648 -9.417 0.901 521 HA ASP 76 HA ASP 76 3.020 -7.565 -1.285 522 HB2 ASP 76 1HB ASP 76 1.263 -7.560 1.163 523 HB3 ASP 76 2HB ASP 76 1.369 -6.168 0.091 524 H GLU 77 H GLU 77 2.807 -6.631 2.119 525 HA GLU 77 HA GLU 77 5.500 -5.766 2.357 526 HB2 GLU 77 1HB GLU 77 5.054 -3.318 2.387 527 HB3 GLU 77 2HB GLU 77 4.832 -4.036 0.798 528 HG2 GLU 77 1HG GLU 77 2.589 -3.680 0.791 529 HG3 GLU 77 2HG GLU 77 2.449 -3.813 2.540 530 H LEU 78 H LEU 78 5.304 -3.769 4.199 531 HA LEU 78 HA LEU 78 3.766 -5.036 6.367 532 HB2 LEU 78 1HB LEU 78 6.467 -4.509 6.234 533 HB3 LEU 78 2HB LEU 78 5.858 -3.137 7.136 534 HG LEU 78 HG LEU 78 5.315 -6.006 7.898 535 HD11 LEU 78 1HD1 LEU 78 7.071 -5.910 9.453 536 HD12 LEU 78 2HD1 LEU 78 7.294 -4.177 9.220 537 HD13 LEU 78 3HD1 LEU 78 7.756 -5.304 7.946 538 HD21 LEU 78 3HD2 LEU 78 4.585 -3.357 8.996 539 HD22 LEU 78 1HD2 LEU 78 5.040 -4.607 10.152 540 HD23 LEU 78 2HD2 LEU 78 3.707 -4.883 9.034 541 H ALA 79 H ALA 79 4.840 -1.896 5.084 542 HA ALA 79 HA ALA 79 2.305 -0.702 5.771 543 HB1 ALA 79 3HB ALA 79 3.440 -0.465 7.892 544 HB2 ALA 79 1HB ALA 79 3.305 1.118 7.126 545 HB3 ALA 79 2HB ALA 79 4.842 0.253 7.103 546 H LEU 80 H LEU 80 2.210 1.613 5.001 547 HA LEU 80 HA LEU 80 4.212 2.313 2.990 548 HB2 LEU 80 1HB LEU 80 2.508 0.946 1.833 549 HB3 LEU 80 2HB LEU 80 1.264 2.061 2.361 550 HG LEU 80 HG LEU 80 2.387 3.860 1.039 551 HD11 LEU 80 1HD1 LEU 80 4.073 3.293 -0.577 552 HD12 LEU 80 2HD1 LEU 80 4.026 1.598 -0.092 553 HD13 LEU 80 3HD1 LEU 80 4.636 2.818 1.026 554 HD21 LEU 80 3HD2 LEU 80 1.899 2.564 -1.237 555 HD22 LEU 80 1HD2 LEU 80 0.613 3.094 -0.153 556 HD23 LEU 80 2HD2 LEU 80 1.164 1.419 -0.115 557 H PHE 81 H PHE 81 4.805 4.183 4.024 558 HA PHE 81 HA PHE 81 2.675 6.169 4.486 559 HB2 PHE 81 1HB PHE 81 5.345 5.903 5.882 560 HB3 PHE 81 2HB PHE 81 4.189 7.201 6.157 561 HD1 PHE 81 HD1 PHE 81 1.672 6.132 6.547 562 HD2 PHE 81 HD2 PHE 81 5.402 4.344 7.553 563 HE1 PHE 81 HE1 PHE 81 0.555 4.779 8.269 564 HE2 PHE 81 HE2 PHE 81 4.289 2.986 9.276 565 HZ PHE 81 HZ PHE 81 1.862 3.202 9.634 566 HA PRO 82 HA PRO 82 4.452 8.476 1.113 567 HB2 PRO 82 1HB PRO 82 3.158 10.764 2.498 568 HB3 PRO 82 2HB PRO 82 2.978 10.211 0.829 569 HG2 PRO 82 1HG PRO 82 1.051 9.799 2.620 570 HG3 PRO 82 2HG PRO 82 1.441 8.575 1.398 571 HD2 PRO 82 1HD PRO 82 2.154 8.652 4.300 572 HD3 PRO 82 2HD PRO 82 1.675 7.271 3.291 573 HA PRO 83 HA PRO 83 7.983 10.652 2.662 574 HB2 PRO 83 1HB PRO 83 8.268 12.757 0.998 575 HB3 PRO 83 2HB PRO 83 8.523 11.093 0.458 576 HG2 PRO 83 1HG PRO 83 6.107 12.838 0.133 577 HG3 PRO 83 2HG PRO 83 6.907 11.805 -1.067 578 HD2 PRO 83 1HD PRO 83 4.675 11.037 0.264 579 HD3 PRO 83 2HD PRO 83 5.922 9.884 -0.253 580 H VAL 84 H VAL 84 8.765 13.125 3.032 581 HA VAL 84 HA VAL 84 6.789 14.232 4.883 582 HB VAL 84 HB VAL 84 9.683 15.040 4.594 583 HG11 VAL 84 1HG1 VAL 84 7.719 16.361 5.878 584 HG12 VAL 84 2HG1 VAL 84 9.402 16.365 6.400 585 HG13 VAL 84 3HG1 VAL 84 8.246 15.272 7.161 586 HG21 VAL 84 3HG2 VAL 84 9.831 13.610 6.776 587 HG22 VAL 84 1HG2 VAL 84 9.932 12.829 5.197 588 HG23 VAL 84 2HG2 VAL 84 8.419 12.792 6.103 589 H SER 85 H SER 85 5.416 15.516 3.762 590 HA SER 85 HA SER 85 6.290 17.254 1.654 591 HB2 SER 85 1HB SER 85 3.904 16.143 2.200 592 HB3 SER 85 2HB SER 85 3.657 17.721 2.947 593 HG SER 85 HG SER 85 3.889 17.038 0.284 594 H GLY 86 H GLY 86 7.741 18.750 2.384 595 HA2 GLY 86 1HA GLY 86 6.669 21.002 3.812 596 HA3 GLY 86 2HA GLY 86 7.858 20.109 4.750 597 H GLY 87 H GLY 87 7.552 21.213 1.364 598 HA2 GLY 87 1HA GLY 87 9.333 23.208 1.201 599 HA3 GLY 87 2HA GLY 87 10.394 21.812 1.293 Start of MODEL 20 1 H1 MET 1 1H MET 1 2.276 -8.407 4.225 2 H2 MET 1 2H MET 1 2.771 -7.738 2.727 3 H3 MET 1 3H MET 1 3.046 -9.396 3.058 4 HA MET 1 HA MET 1 1.162 -8.856 1.544 5 HB2 MET 1 1HB MET 1 1.096 -10.544 4.015 6 HB3 MET 1 2HB MET 1 -0.335 -10.480 2.999 7 HG2 MET 1 1HG MET 1 2.410 -11.244 2.033 8 HG3 MET 1 2HG MET 1 1.160 -12.390 2.518 9 HE1 MET 1 3HE MET 1 2.600 -10.185 -0.275 10 HE2 MET 1 1HE MET 1 1.876 -11.101 -1.596 11 HE3 MET 1 2HE MET 1 2.825 -11.931 -0.364 12 H GLU 2 H GLU 2 1.312 -6.452 3.238 13 HA GLU 2 HA GLU 2 -1.516 -5.867 3.343 14 HB2 GLU 2 1HB GLU 2 -0.113 -5.142 5.860 15 HB3 GLU 2 2HB GLU 2 -1.798 -5.562 5.595 16 HG2 GLU 2 1HG GLU 2 -1.359 -7.858 5.669 17 HG3 GLU 2 2HG GLU 2 0.373 -7.624 5.436 18 H TRP 3 H TRP 3 -1.783 -3.489 4.211 19 HA TRP 3 HA TRP 3 0.513 -1.806 3.648 20 HB2 TRP 3 1HB TRP 3 -1.464 -0.462 2.222 21 HB3 TRP 3 2HB TRP 3 -0.074 -1.289 1.550 22 HD1 TRP 3 HD TRP 3 -3.298 -2.970 2.889 23 HE1 TRP 3 HE1 TRP 3 -4.354 -4.310 0.964 24 HE3 TRP 3 HE3 TRP 3 -0.124 -1.611 -0.878 25 HZ2 TRP 3 HZ2 TRP 3 -3.909 -4.724 -1.793 26 HZ3 TRP 3 HZ3 TRP 3 -0.514 -2.515 -3.135 27 HH2 TRP 3 HH TRP 3 -2.366 -4.043 -3.579 28 H LYS 4 H LYS 4 0.464 0.120 4.707 29 HA LYS 4 HA LYS 4 -2.010 0.837 6.132 30 HB2 LYS 4 1HB LYS 4 0.290 -0.211 7.348 31 HB3 LYS 4 2HB LYS 4 0.367 1.518 7.653 32 HG2 LYS 4 1HG LYS 4 -1.850 1.456 8.652 33 HG3 LYS 4 2HG LYS 4 -1.964 -0.272 8.314 34 HD2 LYS 4 1HD LYS 4 0.377 -0.187 9.665 35 HD3 LYS 4 2HD LYS 4 -0.477 1.161 10.420 36 HE2 LYS 4 1HE LYS 4 -2.433 -0.685 10.427 37 HE3 LYS 4 2HE LYS 4 -1.026 -1.744 10.525 38 HZ1 LYS 4 3HZ LYS 4 -2.075 0.139 12.484 39 HZ2 LYS 4 1HZ LYS 4 -0.388 0.046 12.371 40 HZ3 LYS 4 2HZ LYS 4 -1.291 -1.342 12.715 41 H LEU 5 H LEU 5 -2.136 3.105 6.742 42 HA LEU 5 HA LEU 5 -0.235 4.877 5.386 43 HB2 LEU 5 1HB LEU 5 -3.164 4.656 4.839 44 HB3 LEU 5 2HB LEU 5 -2.398 6.227 4.729 45 HG LEU 5 HG LEU 5 -2.431 5.375 2.530 46 HD11 LEU 5 1HD1 LEU 5 0.318 4.483 3.076 47 HD12 LEU 5 2HD1 LEU 5 -0.101 6.082 3.687 48 HD13 LEU 5 3HD1 LEU 5 -0.282 5.719 1.972 49 HD21 LEU 5 3HD2 LEU 5 -2.415 2.874 3.754 50 HD22 LEU 5 1HD2 LEU 5 -0.927 2.930 2.809 51 HD23 LEU 5 2HD2 LEU 5 -2.481 3.212 2.025 52 H PHE 6 H PHE 6 -0.308 7.092 6.121 53 HA PHE 6 HA PHE 6 -1.267 7.305 8.896 54 HB2 PHE 6 1HB PHE 6 1.237 7.723 7.949 55 HB3 PHE 6 2HB PHE 6 0.590 9.354 7.823 56 HD1 PHE 6 HD1 PHE 6 0.681 6.540 10.280 57 HD2 PHE 6 HD2 PHE 6 0.879 10.740 9.623 58 HE1 PHE 6 HE1 PHE 6 1.114 6.890 12.676 59 HE2 PHE 6 HE2 PHE 6 1.314 11.097 12.018 60 HZ PHE 6 HZ PHE 6 1.432 9.171 13.548 61 H ALA 7 H ALA 7 -1.521 9.876 9.426 62 HA ALA 7 HA ALA 7 -3.953 10.680 8.424 63 HB1 ALA 7 3HB ALA 7 -3.444 12.926 9.268 64 HB2 ALA 7 1HB ALA 7 -1.762 12.447 9.489 65 HB3 ALA 7 2HB ALA 7 -3.034 11.659 10.425 66 H ASP 8 H ASP 8 -0.767 11.312 7.055 67 HA ASP 8 HA ASP 8 -1.339 13.362 5.285 68 HB2 ASP 8 1HB ASP 8 0.476 10.973 4.902 69 HB3 ASP 8 2HB ASP 8 0.451 12.370 3.832 70 H LEU 9 H LEU 9 -2.060 9.932 5.042 71 HA LEU 9 HA LEU 9 -3.524 10.429 2.537 72 HB2 LEU 9 1HB LEU 9 -2.510 7.812 3.647 73 HB3 LEU 9 2HB LEU 9 -3.349 8.024 2.123 74 HG LEU 9 HG LEU 9 -1.299 9.716 1.716 75 HD11 LEU 9 1HD1 LEU 9 0.638 8.016 2.607 76 HD12 LEU 9 2HD1 LEU 9 -0.495 8.020 3.958 77 HD13 LEU 9 3HD1 LEU 9 0.187 9.537 3.374 78 HD21 LEU 9 3HD2 LEU 9 -1.461 8.243 0.023 79 HD22 LEU 9 1HD2 LEU 9 -1.811 6.887 1.093 80 HD23 LEU 9 2HD2 LEU 9 -0.147 7.424 0.867 81 H ALA 10 H ALA 10 -3.974 9.953 5.844 82 HA ALA 10 HA ALA 10 -6.542 8.594 5.553 83 HB1 ALA 10 3HB ALA 10 -6.397 8.021 7.736 84 HB2 ALA 10 1HB ALA 10 -5.669 9.554 8.207 85 HB3 ALA 10 2HB ALA 10 -4.680 8.306 7.452 86 H GLU 11 H GLU 11 -5.392 11.771 5.527 87 HA GLU 11 HA GLU 11 -7.304 13.178 6.999 88 HB2 GLU 11 1HB GLU 11 -5.149 14.003 5.821 89 HB3 GLU 11 2HB GLU 11 -6.178 14.214 4.411 90 HG2 GLU 11 1HG GLU 11 -7.679 15.602 5.957 91 HG3 GLU 11 2HG GLU 11 -6.293 15.632 7.045 92 H VAL 12 H VAL 12 -7.434 11.980 3.655 93 HA VAL 12 HA VAL 12 -10.122 13.090 3.358 94 HB VAL 12 HB VAL 12 -8.464 11.704 1.259 95 HG11 VAL 12 1HG1 VAL 12 -10.118 12.090 -0.212 96 HG12 VAL 12 2HG1 VAL 12 -10.520 13.653 0.495 97 HG13 VAL 12 3HG1 VAL 12 -11.137 12.173 1.223 98 HG21 VAL 12 3HG2 VAL 12 -8.677 14.597 2.040 99 HG22 VAL 12 1HG2 VAL 12 -8.177 14.099 0.423 100 HG23 VAL 12 2HG2 VAL 12 -7.225 13.616 1.828 101 H ALA 13 H ALA 13 -8.463 9.951 3.425 102 HA ALA 13 HA ALA 13 -10.958 8.548 2.904 103 HB1 ALA 13 3HB ALA 13 -9.424 7.242 1.923 104 HB2 ALA 13 1HB ALA 13 -9.189 6.591 3.545 105 HB3 ALA 13 2HB ALA 13 -8.111 7.846 2.933 106 H GLY 14 H GLY 14 -8.636 8.865 5.576 107 HA2 GLY 14 1HA GLY 14 -9.485 9.072 7.847 108 HA3 GLY 14 2HA GLY 14 -10.757 7.940 7.409 109 H SER 15 H SER 15 -8.947 6.183 5.939 110 HA SER 15 HA SER 15 -6.815 5.271 7.521 111 HB2 SER 15 1HB SER 15 -9.435 4.451 8.446 112 HB3 SER 15 2HB SER 15 -8.480 3.053 7.959 113 HG SER 15 HG SER 15 -6.928 3.598 9.428 114 H ARG 16 H ARG 16 -5.648 4.653 5.798 115 HA ARG 16 HA ARG 16 -6.935 3.004 3.740 116 HB2 ARG 16 1HB ARG 16 -5.374 5.212 3.440 117 HB3 ARG 16 2HB ARG 16 -4.171 3.941 3.295 118 HG2 ARG 16 1HG ARG 16 -5.000 4.546 1.115 119 HG3 ARG 16 2HG ARG 16 -5.493 2.900 1.510 120 HD2 ARG 16 1HD ARG 16 -7.573 4.455 2.463 121 HD3 ARG 16 2HD ARG 16 -7.110 5.256 0.963 122 HE ARG 16 HE ARG 16 -8.362 2.679 1.247 123 HH11 ARG 16 1HH1 ARG 16 -6.454 4.731 -0.860 124 HH12 ARG 16 2HH1 ARG 16 -6.937 3.909 -2.303 125 HH21 ARG 16 1HH2 ARG 16 -8.988 1.595 -0.663 126 HH22 ARG 16 2HH2 ARG 16 -8.375 2.129 -2.191 127 H THR 17 H THR 17 -6.249 1.842 6.267 128 HA THR 17 HA THR 17 -3.887 0.221 5.716 129 HB THR 17 HB THR 17 -3.951 -0.472 7.977 130 HG1 THR 17 HG1 THR 17 -5.929 -1.020 8.527 131 HG21 THR 17 3HG2 THR 17 -5.110 2.227 8.415 132 HG22 THR 17 1HG2 THR 17 -3.590 2.074 7.533 133 HG23 THR 17 2HG2 THR 17 -3.722 1.453 9.180 134 H VAL 18 H VAL 18 -4.156 -1.569 4.508 135 HA VAL 18 HA VAL 18 -6.602 -3.164 4.945 136 HB VAL 18 HB VAL 18 -5.397 -3.032 2.209 137 HG11 VAL 18 1HG1 VAL 18 -7.024 -4.642 2.214 138 HG12 VAL 18 2HG1 VAL 18 -7.981 -3.232 1.762 139 HG13 VAL 18 3HG1 VAL 18 -7.997 -3.811 3.428 140 HG21 VAL 18 3HG2 VAL 18 -7.404 -1.043 3.265 141 HG22 VAL 18 1HG2 VAL 18 -6.860 -1.185 1.593 142 HG23 VAL 18 2HG2 VAL 18 -5.727 -0.688 2.849 143 H ARG 19 H ARG 19 -6.400 -5.421 4.060 144 HA ARG 19 HA ARG 19 -3.648 -6.459 4.206 145 HB2 ARG 19 1HB ARG 19 -5.938 -7.056 5.951 146 HB3 ARG 19 2HB ARG 19 -5.153 -8.485 5.297 147 HG2 ARG 19 1HG ARG 19 -3.675 -8.318 6.935 148 HG3 ARG 19 2HG ARG 19 -3.062 -6.863 6.151 149 HD2 ARG 19 1HD ARG 19 -3.551 -6.377 8.455 150 HD3 ARG 19 2HD ARG 19 -4.703 -5.527 7.426 151 HE ARG 19 HE ARG 19 -6.024 -7.792 8.023 152 HH11 ARG 19 1HH1 ARG 19 -4.340 -5.474 10.038 153 HH12 ARG 19 2HH1 ARG 19 -5.360 -5.743 11.410 154 HH21 ARG 19 1HH2 ARG 19 -7.367 -8.137 9.833 155 HH22 ARG 19 2HH2 ARG 19 -7.078 -7.255 11.295 156 H VAL 20 H VAL 20 -3.393 -8.608 3.194 157 HA VAL 20 HA VAL 20 -5.272 -8.910 0.956 158 HB VAL 20 HB VAL 20 -2.888 -8.557 0.362 159 HG11 VAL 20 1HG1 VAL 20 -2.326 -10.289 2.403 160 HG12 VAL 20 2HG1 VAL 20 -1.192 -9.772 1.157 161 HG13 VAL 20 3HG1 VAL 20 -2.071 -11.290 0.974 162 HG21 VAL 20 3HG2 VAL 20 -4.002 -9.549 -1.380 163 HG22 VAL 20 1HG2 VAL 20 -4.392 -10.997 -0.450 164 HG23 VAL 20 2HG2 VAL 20 -2.758 -10.758 -1.066 165 H ASP 21 H ASP 21 -6.688 -10.487 1.004 166 HA ASP 21 HA ASP 21 -6.038 -12.973 2.437 167 HB2 ASP 21 1HB ASP 21 -8.257 -11.111 2.866 168 HB3 ASP 21 2HB ASP 21 -8.775 -12.780 2.656 169 H VAL 22 H VAL 22 -8.110 -11.458 -0.004 170 HA VAL 22 HA VAL 22 -8.781 -14.013 -1.178 171 HB VAL 22 HB VAL 22 -9.946 -12.514 -2.896 172 HG11 VAL 22 1HG1 VAL 22 -11.812 -12.007 -1.289 173 HG12 VAL 22 2HG1 VAL 22 -10.749 -12.574 -0.001 174 HG13 VAL 22 3HG1 VAL 22 -11.242 -13.675 -1.287 175 HG21 VAL 22 3HG2 VAL 22 -9.725 -10.383 -0.803 176 HG22 VAL 22 1HG2 VAL 22 -10.271 -10.247 -2.474 177 HG23 VAL 22 2HG2 VAL 22 -8.562 -10.487 -2.122 178 H ASP 23 H ASP 23 -7.395 -14.987 -2.498 179 HA ASP 23 HA ASP 23 -5.746 -13.325 -4.290 180 HB2 ASP 23 1HB ASP 23 -5.135 -15.927 -2.902 181 HB3 ASP 23 2HB ASP 23 -4.242 -15.422 -4.331 182 H GLY 24 H GLY 24 -5.711 -13.787 -6.441 183 HA2 GLY 24 1HA GLY 24 -5.985 -15.407 -8.249 184 HA3 GLY 24 2HA GLY 24 -7.337 -16.081 -7.352 185 H ASP 25 H ASP 25 -6.688 -12.646 -7.881 186 HA ASP 25 HA ASP 25 -8.740 -12.460 -9.920 187 HB2 ASP 25 1HB ASP 25 -9.666 -12.282 -7.406 188 HB3 ASP 25 2HB ASP 25 -9.155 -10.612 -7.627 189 H ALA 26 H ALA 26 -6.984 -10.380 -7.603 190 HA ALA 26 HA ALA 26 -6.052 -8.774 -9.895 191 HB1 ALA 26 3HB ALA 26 -7.351 -7.244 -8.795 192 HB2 ALA 26 1HB ALA 26 -5.815 -6.984 -7.969 193 HB3 ALA 26 2HB ALA 26 -7.066 -7.972 -7.215 194 H THR 27 H THR 27 -4.016 -7.409 -9.130 195 HA THR 27 HA THR 27 -2.152 -9.326 -7.898 196 HB THR 27 HB THR 27 -1.043 -7.120 -9.519 197 HG1 THR 27 HG1 THR 27 -2.633 -7.570 -10.938 198 HG21 THR 27 3HG2 THR 27 -0.513 -10.042 -9.185 199 HG22 THR 27 1HG2 THR 27 0.549 -8.671 -8.873 200 HG23 THR 27 2HG2 THR 27 0.172 -9.133 -10.531 201 H VAL 28 H VAL 28 -0.135 -8.148 -6.950 202 HA VAL 28 HA VAL 28 -1.115 -6.393 -4.902 203 HB VAL 28 HB VAL 28 1.347 -6.330 -4.201 204 HG11 VAL 28 1HG1 VAL 28 1.043 -9.030 -3.776 205 HG12 VAL 28 2HG1 VAL 28 -0.611 -8.471 -4.026 206 HG13 VAL 28 3HG1 VAL 28 0.386 -7.740 -2.770 207 HG21 VAL 28 3HG2 VAL 28 1.912 -8.813 -5.620 208 HG22 VAL 28 1HG2 VAL 28 2.932 -7.402 -5.349 209 HG23 VAL 28 2HG2 VAL 28 1.786 -7.416 -6.687 210 H GLY 29 H GLY 29 0.983 -6.089 -7.732 211 HA2 GLY 29 1HA GLY 29 1.439 -3.289 -7.163 212 HA3 GLY 29 2HA GLY 29 2.105 -4.193 -8.509 213 H ASP 30 H ASP 30 -0.608 -5.258 -9.183 214 HA ASP 30 HA ASP 30 -1.333 -3.401 -11.141 215 HB2 ASP 30 1HB ASP 30 -1.917 -5.757 -11.304 216 HB3 ASP 30 2HB ASP 30 -2.960 -5.627 -9.892 217 H ALA 31 H ALA 31 -2.494 -3.844 -7.843 218 HA ALA 31 HA ALA 31 -4.504 -1.757 -8.169 219 HB1 ALA 31 3HB ALA 31 -3.963 -3.863 -6.155 220 HB2 ALA 31 1HB ALA 31 -5.495 -3.307 -6.833 221 HB3 ALA 31 2HB ALA 31 -4.695 -2.368 -5.573 222 H LEU 32 H LEU 32 -1.428 -2.355 -6.543 223 HA LEU 32 HA LEU 32 -1.280 -0.159 -4.872 224 HB2 LEU 32 1HB LEU 32 0.409 -2.022 -5.125 225 HB3 LEU 32 2HB LEU 32 1.023 -1.179 -6.534 226 HG LEU 32 HG LEU 32 0.889 0.583 -4.232 227 HD11 LEU 32 1HD1 LEU 32 1.389 -0.996 -2.688 228 HD12 LEU 32 2HD1 LEU 32 3.020 -0.734 -3.306 229 HD13 LEU 32 3HD1 LEU 32 2.070 -2.106 -3.877 230 HD21 LEU 32 3HD2 LEU 32 2.155 0.988 -6.309 231 HD22 LEU 32 1HD2 LEU 32 3.206 -0.373 -5.911 232 HD23 LEU 32 2HD2 LEU 32 3.176 1.051 -4.870 233 H ASP 33 H ASP 33 -0.293 -0.358 -8.293 234 HA ASP 33 HA ASP 33 0.499 2.309 -8.601 235 HB2 ASP 33 1HB ASP 33 1.027 0.579 -10.239 236 HB3 ASP 33 2HB ASP 33 -0.677 0.425 -10.654 237 H ALA 34 H ALA 34 -2.691 0.820 -8.753 238 HA ALA 34 HA ALA 34 -4.005 3.130 -9.823 239 HB1 ALA 34 3HB ALA 34 -6.037 1.773 -8.729 240 HB2 ALA 34 1HB ALA 34 -4.842 0.480 -8.804 241 HB3 ALA 34 2HB ALA 34 -5.311 1.330 -10.274 242 H LEU 35 H LEU 35 -3.914 1.636 -6.588 243 HA LEU 35 HA LEU 35 -5.361 3.702 -5.316 244 HB2 LEU 35 1HB LEU 35 -4.371 2.725 -3.193 245 HB3 LEU 35 2HB LEU 35 -5.354 1.663 -4.177 246 HG LEU 35 HG LEU 35 -2.765 1.194 -5.077 247 HD11 LEU 35 1HD1 LEU 35 -1.315 1.047 -3.322 248 HD12 LEU 35 2HD1 LEU 35 -2.602 0.948 -2.120 249 HD13 LEU 35 3HD1 LEU 35 -2.214 2.496 -2.868 250 HD21 LEU 35 3HD2 LEU 35 -3.087 -0.984 -4.145 251 HD22 LEU 35 1HD2 LEU 35 -4.655 -0.399 -4.700 252 HD23 LEU 35 2HD2 LEU 35 -4.262 -0.371 -2.981 253 H VAL 36 H VAL 36 -2.044 3.440 -6.264 254 HA VAL 36 HA VAL 36 -1.267 5.648 -4.503 255 HB VAL 36 HB VAL 36 0.400 3.975 -6.390 256 HG11 VAL 36 1HG1 VAL 36 2.341 5.092 -5.448 257 HG12 VAL 36 2HG1 VAL 36 1.300 6.090 -4.434 258 HG13 VAL 36 3HG1 VAL 36 1.260 6.274 -6.186 259 HG21 VAL 36 3HG2 VAL 36 0.895 3.987 -3.479 260 HG22 VAL 36 1HG2 VAL 36 0.964 2.661 -4.639 261 HG23 VAL 36 2HG2 VAL 36 -0.591 3.202 -4.012 262 H GLY 37 H GLY 37 -1.602 4.879 -7.952 263 HA2 GLY 37 1HA GLY 37 -0.566 7.254 -9.015 264 HA3 GLY 37 2HA GLY 37 -1.768 6.240 -9.795 265 H ALA 38 H ALA 38 -3.791 6.517 -7.797 266 HA ALA 38 HA ALA 38 -4.648 9.262 -8.400 267 HB1 ALA 38 3HB ALA 38 -5.979 6.964 -8.842 268 HB2 ALA 38 1HB ALA 38 -6.771 8.517 -8.572 269 HB3 ALA 38 2HB ALA 38 -6.592 7.373 -7.241 270 H HIS 39 H HIS 39 -4.119 7.031 -5.741 271 HA HIS 39 HA HIS 39 -3.982 7.271 -3.512 272 HB2 HIS 39 1HB HIS 39 -3.349 10.017 -4.494 273 HB3 HIS 39 2HB HIS 39 -3.578 9.760 -2.775 274 HD1 HIS 39 HD1 HIS 39 -2.135 7.073 -2.420 275 HD2 HIS 39 HD2 HIS 39 -0.645 10.240 -4.661 276 HE1 HIS 39 HE1 HIS 39 0.356 6.735 -2.488 277 HE2 HIS 39 HE2 HIS 39 1.233 8.644 -3.881 278 HA PRO 40 HA PRO 40 -8.526 8.765 -3.666 279 HB2 PRO 40 1HB PRO 40 -8.795 6.016 -2.562 280 HB3 PRO 40 2HB PRO 40 -9.827 6.871 -3.713 281 HG2 PRO 40 1HG PRO 40 -8.175 4.950 -4.536 282 HG3 PRO 40 2HG PRO 40 -8.440 6.409 -5.508 283 HD2 PRO 40 1HD PRO 40 -6.104 5.666 -3.804 284 HD3 PRO 40 2HD PRO 40 -6.148 6.546 -5.344 285 H ALA 41 H ALA 41 -6.291 7.311 -1.419 286 HA ALA 41 HA ALA 41 -7.750 7.627 0.963 287 HB1 ALA 41 3HB ALA 41 -5.774 7.148 2.083 288 HB2 ALA 41 1HB ALA 41 -4.773 7.931 0.862 289 HB3 ALA 41 2HB ALA 41 -5.524 6.372 0.521 290 H LEU 42 H LEU 42 -5.770 9.835 -0.927 291 HA LEU 42 HA LEU 42 -6.544 12.005 0.909 292 HB2 LEU 42 1HB LEU 42 -4.457 13.169 0.136 293 HB3 LEU 42 2HB LEU 42 -4.210 11.764 1.153 294 HG LEU 42 HG LEU 42 -4.124 11.346 -1.793 295 HD11 LEU 42 1HD1 LEU 42 -2.260 13.068 -0.272 296 HD12 LEU 42 2HD1 LEU 42 -2.707 13.105 -1.977 297 HD13 LEU 42 3HD1 LEU 42 -1.551 11.907 -1.394 298 HD21 LEU 42 3HD2 LEU 42 -2.888 10.181 0.665 299 HD22 LEU 42 1HD2 LEU 42 -2.106 9.952 -0.898 300 HD23 LEU 42 2HD2 LEU 42 -3.753 9.378 -0.644 301 H GLU 43 H GLU 43 -7.225 10.752 -2.041 302 HA GLU 43 HA GLU 43 -7.241 13.212 -3.564 303 HB2 GLU 43 1HB GLU 43 -6.980 10.683 -4.358 304 HB3 GLU 43 2HB GLU 43 -8.728 10.801 -4.481 305 HG2 GLU 43 1HG GLU 43 -7.240 13.029 -5.680 306 HG3 GLU 43 2HG GLU 43 -6.995 11.462 -6.446 307 H SER 44 H SER 44 -8.671 14.692 -2.872 308 HA SER 44 HA SER 44 -11.230 13.993 -1.794 309 HB2 SER 44 1HB SER 44 -9.749 16.523 -2.328 310 HB3 SER 44 2HB SER 44 -11.503 16.622 -2.162 311 HG SER 44 HG SER 44 -11.319 15.686 -0.122 312 H ARG 45 H ARG 45 -10.026 14.889 -4.956 313 HA ARG 45 HA ARG 45 -10.995 15.018 -7.003 314 HB2 ARG 45 1HB ARG 45 -11.774 12.753 -6.438 315 HB3 ARG 45 2HB ARG 45 -13.202 13.431 -5.673 316 HG2 ARG 45 1HG ARG 45 -13.285 14.510 -8.204 317 HG3 ARG 45 2HG ARG 45 -12.668 12.878 -8.477 318 HD2 ARG 45 1HD ARG 45 -14.552 11.949 -7.238 319 HD3 ARG 45 2HD ARG 45 -15.157 13.574 -6.920 320 HE ARG 45 HE ARG 45 -14.990 13.420 -9.643 321 HH11 ARG 45 1HH1 ARG 45 -16.607 11.548 -7.163 322 HH12 ARG 45 2HH1 ARG 45 -17.917 11.083 -8.193 323 HH21 ARG 45 1HH2 ARG 45 -16.721 12.805 -10.997 324 HH22 ARG 45 2HH2 ARG 45 -17.982 11.797 -10.370 325 H VAL 46 H VAL 46 -11.165 17.336 -6.545 326 HA VAL 46 HA VAL 46 -13.918 18.274 -6.095 327 HB VAL 46 HB VAL 46 -11.400 19.945 -6.110 328 HG11 VAL 46 1HG1 VAL 46 -12.685 21.685 -5.227 329 HG12 VAL 46 2HG1 VAL 46 -14.013 20.609 -4.790 330 HG13 VAL 46 3HG1 VAL 46 -13.710 20.994 -6.484 331 HG21 VAL 46 3HG2 VAL 46 -12.079 19.880 -3.517 332 HG22 VAL 46 1HG2 VAL 46 -10.925 18.759 -4.241 333 HG23 VAL 46 2HG2 VAL 46 -12.600 18.264 -3.994 334 H PHE 47 H PHE 47 -11.096 19.164 -8.111 335 HA PHE 47 HA PHE 47 -12.484 19.038 -10.558 336 HB2 PHE 47 1HB PHE 47 -13.180 21.315 -9.171 337 HB3 PHE 47 2HB PHE 47 -11.874 21.886 -10.202 338 HD1 PHE 47 HD1 PHE 47 -12.080 21.771 -12.649 339 HD2 PHE 47 HD2 PHE 47 -15.297 20.691 -10.079 340 HE1 PHE 47 HE1 PHE 47 -13.643 21.944 -14.540 341 HE2 PHE 47 HE2 PHE 47 -16.866 20.860 -11.968 342 HZ PHE 47 HZ PHE 47 -16.040 21.488 -14.201 343 H GLY 48 H GLY 48 -10.007 21.115 -9.028 344 HA2 GLY 48 1HA GLY 48 -8.053 20.025 -10.946 345 HA3 GLY 48 2HA GLY 48 -8.176 21.760 -10.696 346 H ASP 49 H ASP 49 -7.013 18.754 -9.442 347 HA ASP 49 HA ASP 49 -6.325 19.565 -6.837 348 HB2 ASP 49 1HB ASP 49 -6.228 17.202 -8.171 349 HB3 ASP 49 2HB ASP 49 -4.520 17.627 -8.141 350 H ASP 50 H ASP 50 -4.145 19.885 -5.985 351 HA ASP 50 HA ASP 50 -2.766 21.932 -7.452 352 HB2 ASP 50 1HB ASP 50 -3.106 21.446 -4.799 353 HB3 ASP 50 2HB ASP 50 -1.471 20.837 -5.036 354 H GLY 51 H GLY 51 -2.275 18.523 -6.839 355 HA2 GLY 51 1HA GLY 51 -0.927 17.153 -8.208 356 HA3 GLY 51 2HA GLY 51 -0.012 18.572 -8.690 357 H GLU 52 H GLU 52 2.027 17.937 -8.216 358 HA GLU 52 HA GLU 52 2.786 17.858 -5.438 359 HB2 GLU 52 1HB GLU 52 2.125 15.501 -5.912 360 HB3 GLU 52 2HB GLU 52 3.356 15.440 -7.165 361 HG2 GLU 52 1HG GLU 52 4.532 14.509 -5.473 362 HG3 GLU 52 2HG GLU 52 4.909 16.200 -5.160 363 H LEU 53 H LEU 53 4.881 18.512 -5.133 364 HA LEU 53 HA LEU 53 6.300 19.451 -7.491 365 HB2 LEU 53 1HB LEU 53 5.959 20.467 -4.944 366 HB3 LEU 53 2HB LEU 53 7.603 19.864 -4.905 367 HG LEU 53 HG LEU 53 7.587 22.213 -5.494 368 HD11 LEU 53 1HD1 LEU 53 8.274 20.482 -7.865 369 HD12 LEU 53 2HD1 LEU 53 9.320 20.823 -6.486 370 HD13 LEU 53 3HD1 LEU 53 8.852 22.125 -7.580 371 HD21 LEU 53 3HD2 LEU 53 6.287 21.780 -8.109 372 HD22 LEU 53 1HD2 LEU 53 6.261 23.184 -7.042 373 HD23 LEU 53 2HD2 LEU 53 5.232 21.794 -6.697 374 H TYR 54 H TYR 54 7.160 17.568 -4.572 375 HA TYR 54 HA TYR 54 9.115 16.091 -6.208 376 HB2 TYR 54 1HB TYR 54 10.208 17.715 -4.653 377 HB3 TYR 54 2HB TYR 54 9.474 16.859 -3.302 378 HD1 TYR 54 HD1 TYR 54 11.834 16.440 -6.145 379 HD2 TYR 54 HD2 TYR 54 10.519 14.971 -2.373 380 HE1 TYR 54 HE1 TYR 54 13.757 14.909 -6.075 381 HE2 TYR 54 HE2 TYR 54 12.438 13.439 -2.294 382 HH TYR 54 HH TYR 54 13.973 12.314 -4.120 383 H ASP 55 H ASP 55 9.646 13.917 -5.344 384 HA ASP 55 HA ASP 55 7.216 12.617 -4.395 385 HB2 ASP 55 1HB ASP 55 9.667 11.748 -5.842 386 HB3 ASP 55 2HB ASP 55 8.859 10.550 -4.840 387 H HIS 56 H HIS 56 6.941 12.368 -2.270 388 HA HIS 56 HA HIS 56 9.234 11.494 -0.655 389 HB2 HIS 56 1HB HIS 56 8.150 14.051 -0.497 390 HB3 HIS 56 2HB HIS 56 7.406 13.194 0.849 391 HD1 HIS 56 HD1 HIS 56 10.971 12.944 -0.459 392 HD2 HIS 56 HD2 HIS 56 8.880 13.977 2.981 393 HE1 HIS 56 HE1 HIS 56 12.725 13.384 1.289 394 HE2 HIS 56 HE2 HIS 56 11.436 13.968 3.373 395 H ILE 57 H ILE 57 8.773 9.580 0.207 396 HA ILE 57 HA ILE 57 6.493 9.100 1.799 397 HB ILE 57 HB ILE 57 5.330 8.930 -0.347 398 HG12 ILE 57 1HG1 ILE 57 4.554 6.490 -0.106 399 HG13 ILE 57 2HG1 ILE 57 5.719 6.374 1.208 400 HG21 ILE 57 1HG2 ILE 57 7.103 8.332 -1.828 401 HG22 ILE 57 2HG2 ILE 57 5.894 7.049 -1.890 402 HG23 ILE 57 3HG2 ILE 57 7.380 6.816 -0.971 403 HD11 ILE 57 3HD1 ILE 57 3.067 7.431 1.226 404 HD12 ILE 57 1HD1 ILE 57 4.210 8.687 1.700 405 HD13 ILE 57 2HD1 ILE 57 4.170 7.156 2.575 406 H ASN 58 H ASN 58 6.734 7.259 3.040 407 HA ASN 58 HA ASN 58 9.135 5.647 2.485 408 HB2 ASN 58 1HB ASN 58 8.293 7.067 4.917 409 HB3 ASN 58 2HB ASN 58 8.775 5.399 5.199 410 HD21 ASN 58 2HD2 ASN 58 10.053 7.897 6.010 411 HD22 ASN 58 1HD2 ASN 58 11.655 7.842 5.364 412 H VAL 59 H VAL 59 9.082 3.425 3.260 413 HA VAL 59 HA VAL 59 6.410 2.350 3.811 414 HB VAL 59 HB VAL 59 6.694 2.171 1.391 415 HG11 VAL 59 1HG1 VAL 59 8.840 2.037 0.725 416 HG12 VAL 59 2HG1 VAL 59 8.550 0.300 0.823 417 HG13 VAL 59 3HG1 VAL 59 9.346 1.138 2.155 418 HG21 VAL 59 3HG2 VAL 59 5.673 0.305 2.903 419 HG22 VAL 59 1HG2 VAL 59 7.079 -0.624 2.378 420 HG23 VAL 59 2HG2 VAL 59 5.938 0.002 1.187 421 H LEU 60 H LEU 60 6.363 0.442 5.000 422 HA LEU 60 HA LEU 60 8.942 -0.347 6.168 423 HB2 LEU 60 1HB LEU 60 6.771 0.482 7.492 424 HB3 LEU 60 2HB LEU 60 6.370 -1.219 7.375 425 HG LEU 60 HG LEU 60 7.442 -0.843 9.483 426 HD11 LEU 60 1HD1 LEU 60 8.100 -2.839 7.929 427 HD12 LEU 60 2HD1 LEU 60 8.973 -2.555 9.434 428 HD13 LEU 60 3HD1 LEU 60 9.671 -2.037 7.899 429 HD21 LEU 60 3HD2 LEU 60 9.814 -0.004 9.535 430 HD22 LEU 60 1HD2 LEU 60 8.591 1.201 9.127 431 HD23 LEU 60 2HD2 LEU 60 9.592 0.495 7.858 432 H ARG 61 H ARG 61 9.777 -2.193 5.474 433 HA ARG 61 HA ARG 61 7.975 -4.411 4.807 434 HB2 ARG 61 1HB ARG 61 9.326 -4.966 2.837 435 HB3 ARG 61 2HB ARG 61 8.612 -3.367 2.692 436 HG2 ARG 61 1HG ARG 61 11.398 -3.671 3.734 437 HG3 ARG 61 2HG ARG 61 11.081 -3.748 2.001 438 HD2 ARG 61 1HD ARG 61 9.710 -1.538 2.544 439 HD3 ARG 61 2HD ARG 61 10.854 -1.457 3.883 440 HE ARG 61 HE ARG 61 12.517 -0.945 2.393 441 HH11 ARG 61 1HH1 ARG 61 9.756 -2.159 0.612 442 HH12 ARG 61 2HH1 ARG 61 10.404 -1.721 -0.933 443 HH21 ARG 61 1HH2 ARG 61 13.367 -0.371 0.355 444 HH22 ARG 61 2HH2 ARG 61 12.456 -0.706 -1.078 445 H ASN 62 H ASN 62 8.767 -6.471 5.221 446 HA ASN 62 HA ASN 62 10.586 -6.742 7.345 447 HB2 ASN 62 1HB ASN 62 9.540 -8.818 5.408 448 HB3 ASN 62 2HB ASN 62 10.445 -9.191 6.870 449 HD21 ASN 62 2HD2 ASN 62 9.039 -10.089 8.215 450 HD22 ASN 62 1HD2 ASN 62 7.502 -9.432 8.649 451 H GLY 63 H GLY 63 11.189 -6.386 3.995 452 HA2 GLY 63 1HA GLY 63 13.490 -5.906 3.366 453 HA3 GLY 63 2HA GLY 63 13.987 -7.216 4.425 454 H GLU 64 H GLU 64 11.193 -7.637 2.404 455 HA GLU 64 HA GLU 64 12.680 -9.591 0.795 456 HB2 GLU 64 1HB GLU 64 10.468 -10.023 2.235 457 HB3 GLU 64 2HB GLU 64 9.705 -9.468 0.753 458 HG2 GLU 64 1HG GLU 64 11.797 -11.535 0.469 459 HG3 GLU 64 2HG GLU 64 10.293 -12.025 1.242 460 H ALA 65 H ALA 65 11.865 -9.864 -1.473 461 HA ALA 65 HA ALA 65 12.143 -7.465 -2.919 462 HB1 ALA 65 3HB ALA 65 11.671 -8.799 -4.899 463 HB2 ALA 65 1HB ALA 65 11.059 -10.109 -3.888 464 HB3 ALA 65 2HB ALA 65 12.765 -9.664 -3.820 465 H ALA 66 H ALA 66 10.702 -5.911 -3.303 466 HA ALA 66 HA ALA 66 8.036 -5.984 -2.457 467 HB1 ALA 66 3HB ALA 66 8.496 -4.117 -4.649 468 HB2 ALA 66 1HB ALA 66 9.728 -4.028 -3.388 469 HB3 ALA 66 2HB ALA 66 8.026 -3.812 -2.975 470 H ALA 67 H ALA 67 6.462 -7.220 -3.229 471 HA ALA 67 HA ALA 67 6.512 -8.439 -5.789 472 HB1 ALA 67 3HB ALA 67 4.266 -9.235 -5.243 473 HB2 ALA 67 1HB ALA 67 4.211 -8.138 -3.862 474 HB3 ALA 67 2HB ALA 67 5.375 -9.462 -3.892 475 H LEU 68 H LEU 68 4.666 -8.235 -7.367 476 HA LEU 68 HA LEU 68 3.250 -5.762 -7.528 477 HB2 LEU 68 1HB LEU 68 5.852 -5.594 -8.373 478 HB3 LEU 68 2HB LEU 68 5.006 -5.950 -9.863 479 HG LEU 68 HG LEU 68 3.906 -3.771 -8.170 480 HD11 LEU 68 1HD1 LEU 68 5.975 -2.865 -8.013 481 HD12 LEU 68 2HD1 LEU 68 5.584 -2.318 -9.643 482 HD13 LEU 68 3HD1 LEU 68 6.592 -3.746 -9.411 483 HD21 LEU 68 3HD2 LEU 68 4.305 -4.061 -11.147 484 HD22 LEU 68 1HD2 LEU 68 3.370 -2.810 -10.325 485 HD23 LEU 68 2HD2 LEU 68 2.833 -4.491 -10.274 486 H GLY 69 H GLY 69 4.598 -8.392 -9.548 487 HA2 GLY 69 1HA GLY 69 2.045 -8.511 -11.002 488 HA3 GLY 69 2HA GLY 69 3.560 -9.215 -11.536 489 H GLU 70 H GLU 70 2.386 -9.621 -8.255 490 HA GLU 70 HA GLU 70 1.083 -12.118 -8.734 491 HB2 GLU 70 1HB GLU 70 3.874 -12.231 -8.568 492 HB3 GLU 70 2HB GLU 70 3.309 -12.741 -6.984 493 HG2 GLU 70 1HG GLU 70 2.107 -14.550 -7.877 494 HG3 GLU 70 2HG GLU 70 2.219 -13.918 -9.519 495 H ALA 71 H ALA 71 -0.581 -11.596 -7.416 496 HA ALA 71 HA ALA 71 -0.346 -10.202 -4.973 497 HB1 ALA 71 3HB ALA 71 -2.523 -11.809 -6.245 498 HB2 ALA 71 1HB ALA 71 -2.468 -10.082 -5.887 499 HB3 ALA 71 2HB ALA 71 -2.691 -11.246 -4.581 500 H THR 72 H THR 72 -0.033 -13.567 -5.793 501 HA THR 72 HA THR 72 -0.108 -14.381 -2.991 502 HB THR 72 HB THR 72 -1.352 -15.714 -4.650 503 HG1 THR 72 HG1 THR 72 -0.933 -17.330 -3.417 504 HG21 THR 72 3HG2 THR 72 -0.539 -16.514 -6.550 505 HG22 THR 72 1HG2 THR 72 0.929 -17.101 -5.771 506 HG23 THR 72 2HG2 THR 72 0.826 -15.424 -6.305 507 H ALA 73 H ALA 73 2.041 -12.699 -3.788 508 HA ALA 73 HA ALA 73 4.398 -14.321 -4.177 509 HB1 ALA 73 3HB ALA 73 4.080 -11.969 -5.059 510 HB2 ALA 73 1HB ALA 73 5.607 -12.286 -4.239 511 HB3 ALA 73 2HB ALA 73 4.323 -11.412 -3.403 512 H ALA 74 H ALA 74 6.306 -13.371 -2.544 513 HA ALA 74 HA ALA 74 5.896 -14.764 -0.142 514 HB1 ALA 74 3HB ALA 74 7.985 -12.728 -0.004 515 HB2 ALA 74 1HB ALA 74 8.082 -13.752 -1.436 516 HB3 ALA 74 2HB ALA 74 8.091 -14.478 0.170 517 H GLY 75 H GLY 75 6.164 -11.213 -0.630 518 HA2 GLY 75 1HA GLY 75 4.059 -10.633 1.162 519 HA3 GLY 75 2HA GLY 75 5.588 -10.494 2.009 520 H ASP 76 H ASP 76 3.372 -8.592 0.884 521 HA ASP 76 HA ASP 76 4.800 -6.869 -0.903 522 HB2 ASP 76 1HB ASP 76 2.121 -7.119 -0.003 523 HB3 ASP 76 2HB ASP 76 2.647 -5.495 0.416 524 H GLU 77 H GLU 77 3.352 -5.786 2.138 525 HA GLU 77 HA GLU 77 5.860 -5.043 3.305 526 HB2 GLU 77 1HB GLU 77 5.454 -2.619 3.345 527 HB3 GLU 77 2HB GLU 77 5.629 -3.214 1.703 528 HG2 GLU 77 1HG GLU 77 2.904 -2.947 2.877 529 HG3 GLU 77 2HG GLU 77 3.751 -1.509 2.318 530 H LEU 78 H LEU 78 5.280 -3.436 5.283 531 HA LEU 78 HA LEU 78 3.087 -4.789 6.695 532 HB2 LEU 78 1HB LEU 78 5.613 -3.447 7.559 533 HB3 LEU 78 2HB LEU 78 4.272 -3.535 8.684 534 HG LEU 78 HG LEU 78 5.557 -5.933 7.369 535 HD11 LEU 78 1HD1 LEU 78 5.834 -5.444 10.265 536 HD12 LEU 78 2HD1 LEU 78 6.777 -4.402 9.199 537 HD13 LEU 78 3HD1 LEU 78 6.969 -6.154 9.116 538 HD21 LEU 78 3HD2 LEU 78 4.324 -7.174 9.131 539 HD22 LEU 78 1HD2 LEU 78 3.267 -6.378 7.966 540 HD23 LEU 78 2HD2 LEU 78 3.505 -5.675 9.565 541 H ALA 79 H ALA 79 4.394 -1.590 5.952 542 HA ALA 79 HA ALA 79 1.776 -0.406 6.059 543 HB1 ALA 79 3HB ALA 79 2.518 1.346 7.747 544 HB2 ALA 79 1HB ALA 79 3.835 0.248 8.160 545 HB3 ALA 79 2HB ALA 79 2.161 -0.257 8.390 546 H LEU 80 H LEU 80 1.920 1.995 5.568 547 HA LEU 80 HA LEU 80 4.362 2.744 4.132 548 HB2 LEU 80 1HB LEU 80 1.759 2.149 2.946 549 HB3 LEU 80 2HB LEU 80 2.344 3.746 2.523 550 HG LEU 80 HG LEU 80 4.303 1.551 2.233 551 HD11 LEU 80 1HD1 LEU 80 2.767 0.225 1.228 552 HD12 LEU 80 2HD1 LEU 80 3.129 1.270 -0.146 553 HD13 LEU 80 3HD1 LEU 80 1.697 1.569 0.835 554 HD21 LEU 80 3HD2 LEU 80 5.043 2.821 0.401 555 HD22 LEU 80 1HD2 LEU 80 4.584 4.010 1.621 556 HD23 LEU 80 2HD2 LEU 80 3.508 3.677 0.264 557 H PHE 81 H PHE 81 4.933 4.402 5.438 558 HA PHE 81 HA PHE 81 2.956 6.560 5.786 559 HB2 PHE 81 1HB PHE 81 3.980 7.088 7.954 560 HB3 PHE 81 2HB PHE 81 3.370 5.439 7.929 561 HD1 PHE 81 HD2 PHE 81 5.052 3.559 7.506 562 HD2 PHE 81 HD1 PHE 81 6.191 7.532 8.528 563 HE1 PHE 81 HE2 PHE 81 7.259 2.740 8.223 564 HE2 PHE 81 HE1 PHE 81 8.398 6.717 9.247 565 HZ PHE 81 HZ PHE 81 8.935 4.320 9.095 566 HA PRO 82 HA PRO 82 6.032 9.003 3.718 567 HB2 PRO 82 1HB PRO 82 4.938 11.440 4.054 568 HB3 PRO 82 2HB PRO 82 4.237 10.242 2.961 569 HG2 PRO 82 1HG PRO 82 3.409 10.993 5.734 570 HG3 PRO 82 2HG PRO 82 2.401 10.654 4.316 571 HD2 PRO 82 1HD PRO 82 2.878 8.845 6.318 572 HD3 PRO 82 2HD PRO 82 2.481 8.391 4.649 573 HA PRO 83 HA PRO 83 8.913 10.303 6.828 574 HB2 PRO 83 1HB PRO 83 9.693 12.427 4.900 575 HB3 PRO 83 2HB PRO 83 10.687 11.185 5.667 576 HG2 PRO 83 1HG PRO 83 10.009 10.994 3.099 577 HG3 PRO 83 2HG PRO 83 10.071 9.557 4.134 578 HD2 PRO 83 1HD PRO 83 7.699 11.102 3.172 579 HD3 PRO 83 2HD PRO 83 7.901 9.348 3.373 580 H VAL 84 H VAL 84 7.414 11.157 8.339 581 HA VAL 84 HA VAL 84 7.443 14.062 8.499 582 HB VAL 84 HB VAL 84 5.355 13.557 7.298 583 HG11 VAL 84 1HG1 VAL 84 5.200 11.305 8.775 584 HG12 VAL 84 2HG1 VAL 84 3.832 12.015 7.919 585 HG13 VAL 84 3HG1 VAL 84 4.055 12.330 9.640 586 HG21 VAL 84 3HG2 VAL 84 3.783 14.659 8.958 587 HG22 VAL 84 1HG2 VAL 84 5.277 15.522 8.598 588 HG23 VAL 84 2HG2 VAL 84 5.122 14.616 10.103 589 H SER 85 H SER 85 7.661 14.785 10.539 590 HA SER 85 HA SER 85 6.833 13.156 12.798 591 HB2 SER 85 1HB SER 85 9.365 12.736 11.957 592 HB3 SER 85 2HB SER 85 9.632 14.113 13.028 593 HG SER 85 HG SER 85 8.662 12.940 14.699 594 H GLY 86 H GLY 86 5.966 15.690 11.762 595 HA2 GLY 86 1HA GLY 86 5.256 17.270 13.662 596 HA3 GLY 86 2HA GLY 86 6.982 17.584 13.777 597 H GLY 87 H GLY 87 7.891 17.934 11.348 598 HA2 GLY 87 1HA GLY 87 7.412 19.016 9.234 599 HA3 GLY 87 2HA GLY 87 6.108 19.881 10.030
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