NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27585 | 2ro0 | 11032 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 H GLY -2 1.811 -0.001 0.854 2 HA2 GLY -2 1HA GLY -2 1.975 -0.969 -1.711 3 HA3 GLY -2 2HA GLY -2 1.648 0.747 -1.904 4 H SER -1 H SER -1 4.055 -1.162 -2.304 5 HA SER -1 HA SER -1 6.017 0.739 -1.249 6 HG SER -1 HG SER -1 5.245 -2.279 0.571 7 HB2 SER -1 1HB SER -1 6.526 -2.227 -1.080 8 HB3 SER -1 2HB SER -1 7.407 -0.917 -0.295 9 H HIS 0 H HIS 0 7.878 0.958 -2.485 10 HA HIS 0 HA HIS 0 8.210 -0.714 -4.845 11 HD1 HIS 0 HD1 HIS 0 5.442 2.558 -4.470 12 HD2 HIS 0 HD2 HIS 0 6.126 -0.518 -7.178 13 HE1 HIS 0 HE1 HIS 0 3.166 1.849 -5.272 14 HB2 HIS 0 1HB HIS 0 7.879 2.286 -5.048 15 HB3 HIS 0 2HB HIS 0 8.284 1.202 -6.375 16 H MET 1 H MET 1 10.179 0.320 -6.164 17 HA MET 1 HA MET 1 12.428 0.073 -4.490 18 HB2 MET 1 1HB MET 1 12.162 1.112 -7.313 19 HB3 MET 1 2HB MET 1 13.706 0.841 -6.516 20 HG2 MET 1 1HG MET 1 13.093 -1.537 -6.232 21 HG3 MET 1 2HG MET 1 11.619 -1.231 -7.149 22 HE1 MET 1 3HE MET 1 11.516 -0.351 -9.437 23 HE2 MET 1 1HE MET 1 12.849 0.785 -9.638 24 HE3 MET 1 2HE MET 1 12.721 -0.620 -10.696 25 H SER 2 H SER 2 12.811 1.521 -2.926 26 HA SER 2 HA SER 2 12.565 4.379 -3.551 27 HG SER 2 HG SER 2 10.555 3.905 -2.155 28 HB2 SER 2 1HB SER 2 12.936 3.104 -0.833 29 HB3 SER 2 2HB SER 2 12.477 4.772 -1.174 30 H HIS 3 H HIS 3 14.479 4.763 -4.630 31 HA HIS 3 HA HIS 3 17.004 3.962 -3.461 32 HD1 HIS 3 HD1 HIS 3 16.231 4.409 -8.080 33 HD2 HIS 3 HD2 HIS 3 16.971 1.925 -4.833 34 HE1 HIS 3 HE1 HIS 3 15.910 2.067 -8.938 35 HB2 HIS 3 1HB HIS 3 16.425 5.667 -5.893 36 HB3 HIS 3 2HB HIS 3 18.008 5.052 -5.426 37 H ASP 4 H ASP 4 18.764 5.791 -3.531 38 HA ASP 4 HA ASP 4 17.687 8.047 -1.974 39 HB2 ASP 4 1HB ASP 4 20.399 6.716 -1.883 40 HB3 ASP 4 2HB ASP 4 20.006 8.200 -1.020 41 H GLY 5 H GLY 5 20.565 7.344 -3.973 42 HA2 GLY 5 1HA GLY 5 21.524 8.546 -5.686 43 HA3 GLY 5 2HA GLY 5 20.025 9.454 -5.807 44 H LYS 6 H LYS 6 20.015 11.514 -5.156 45 HA LYS 6 HA LYS 6 22.048 12.435 -3.266 46 HB2 LYS 6 1HB LYS 6 21.800 13.254 -6.117 47 HB3 LYS 6 2HB LYS 6 22.167 14.511 -4.943 48 HG2 LYS 6 1HG LYS 6 23.983 12.730 -4.180 49 HG3 LYS 6 2HG LYS 6 23.815 12.230 -5.865 50 HD2 LYS 6 1HD LYS 6 24.627 14.226 -6.678 51 HD3 LYS 6 2HD LYS 6 24.149 15.128 -5.238 52 HE2 LYS 6 1HE LYS 6 25.958 14.227 -3.980 53 HE3 LYS 6 2HE LYS 6 26.335 13.057 -5.243 54 HZ1 LYS 6 3HZ LYS 6 27.437 14.584 -6.453 55 HZ2 LYS 6 1HZ LYS 6 27.618 15.359 -4.960 56 HZ3 LYS 6 2HZ LYS 6 26.404 15.854 -6.028 57 H GLU 7 H GLU 7 20.063 12.446 -1.953 58 HA GLU 7 HA GLU 7 18.212 14.628 -2.576 59 HB2 GLU 7 1HB GLU 7 16.723 13.679 -0.983 60 HB3 GLU 7 2HB GLU 7 17.360 12.343 -1.931 61 HG2 GLU 7 1HG GLU 7 19.065 12.049 -0.063 62 HG3 GLU 7 2HG GLU 7 18.036 13.124 0.882 63 H GLU 8 H GLU 8 17.531 16.039 -0.756 64 HA GLU 8 HA GLU 8 19.862 16.742 0.898 65 HB2 GLU 8 1HB GLU 8 17.901 18.334 -0.617 66 HB3 GLU 8 2HB GLU 8 18.269 18.951 0.987 67 HG2 GLU 8 1HG GLU 8 19.654 19.824 -0.956 68 HG3 GLU 8 2HG GLU 8 20.519 19.277 0.479 69 HA PRO 9 HA PRO 9 17.663 16.090 4.636 70 HB2 PRO 9 1HB PRO 9 18.472 18.179 6.169 71 HB3 PRO 9 2HB PRO 9 19.530 16.826 5.755 72 HG2 PRO 9 1HG PRO 9 19.361 19.546 4.517 73 HG3 PRO 9 2HG PRO 9 20.798 18.596 4.939 74 HD2 PRO 9 1HD PRO 9 19.845 18.751 2.409 75 HD3 PRO 9 2HD PRO 9 20.654 17.301 3.037 76 H GLY 10 H GLY 10 16.390 17.461 6.408 77 HA2 GLY 10 1HA GLY 10 14.806 19.167 6.849 78 HA3 GLY 10 2HA GLY 10 14.767 19.539 5.132 79 H ILE 11 H ILE 11 13.102 18.129 7.636 80 HA ILE 11 HA ILE 11 11.530 16.430 5.817 81 HB ILE 11 HB ILE 11 11.597 16.343 8.835 82 HG12 ILE 11 1HG1 ILE 11 12.627 13.978 8.085 83 HG13 ILE 11 2HG1 ILE 11 13.179 14.960 6.732 84 HG21 ILE 11 1HG2 ILE 11 9.681 15.234 8.597 85 HG22 ILE 11 2HG2 ILE 11 9.853 15.170 6.844 86 HG23 ILE 11 3HG2 ILE 11 10.623 13.944 7.851 87 HD11 ILE 11 3HD1 ILE 11 13.640 16.153 9.364 88 HD12 ILE 11 1HD1 ILE 11 14.508 14.646 9.070 89 HD13 ILE 11 2HD1 ILE 11 14.712 16.011 7.971 90 H ALA 12 H ALA 12 9.564 17.089 5.267 91 HA ALA 12 HA ALA 12 8.336 19.273 6.806 92 HB1 ALA 12 1HB ALA 12 8.654 19.945 4.566 93 HB2 ALA 12 2HB ALA 12 8.028 18.420 3.939 94 HB3 ALA 12 3HB ALA 12 6.938 19.567 4.717 95 H LYS 13 H LYS 13 6.857 18.613 8.213 96 HA LYS 13 HA LYS 13 4.867 16.642 7.341 97 HB2 LYS 13 1HB LYS 13 5.016 15.362 9.318 98 HB3 LYS 13 2HB LYS 13 6.678 15.596 8.795 99 HG2 LYS 13 1HG LYS 13 6.928 17.407 10.427 100 HG3 LYS 13 2HG LYS 13 5.269 17.135 10.966 101 HD2 LYS 13 1HD LYS 13 6.703 16.007 12.497 102 HD3 LYS 13 2HD LYS 13 5.932 14.772 11.498 103 HE2 LYS 13 1HE LYS 13 8.516 15.831 10.530 104 HE3 LYS 13 2HE LYS 13 8.572 14.848 11.992 105 HZ1 LYS 13 3HZ LYS 13 8.320 13.998 9.332 106 HZ2 LYS 13 1HZ LYS 13 6.909 13.560 10.157 107 HZ3 LYS 13 2HZ LYS 13 8.417 13.053 10.731 108 H LYS 14 H LYS 14 2.810 16.947 8.147 109 HA LYS 14 HA LYS 14 2.366 19.532 9.456 110 HB2 LYS 14 1HB LYS 14 0.937 17.953 7.463 111 HB3 LYS 14 2HB LYS 14 -0.117 18.512 8.755 112 HG2 LYS 14 1HG LYS 14 0.790 20.821 8.355 113 HG3 LYS 14 2HG LYS 14 1.579 20.176 6.913 114 HD2 LYS 14 1HD LYS 14 -1.323 19.642 7.265 115 HD3 LYS 14 2HD LYS 14 -0.834 21.281 6.826 116 HE2 LYS 14 1HE LYS 14 0.388 19.051 5.306 117 HE3 LYS 14 2HE LYS 14 -1.320 19.377 5.016 118 HZ1 LYS 14 3HZ LYS 14 0.844 20.712 3.936 119 HZ2 LYS 14 1HZ LYS 14 0.153 21.793 5.040 120 HZ3 LYS 14 2HZ LYS 14 -0.789 21.133 3.800 121 H ILE 15 H ILE 15 1.972 19.569 11.559 122 HA ILE 15 HA ILE 15 0.891 17.149 12.838 123 HB ILE 15 HB ILE 15 1.842 17.953 14.928 124 HG12 ILE 15 1HG1 ILE 15 2.973 20.247 13.313 125 HG13 ILE 15 2HG1 ILE 15 1.609 20.382 14.417 126 HG21 ILE 15 1HG2 ILE 15 3.765 17.897 12.611 127 HG22 ILE 15 2HG2 ILE 15 4.258 17.830 14.302 128 HG23 ILE 15 3HG2 ILE 15 3.261 16.544 13.623 129 HD11 ILE 15 3HD1 ILE 15 3.037 20.816 16.043 130 HD12 ILE 15 1HD1 ILE 15 3.682 19.183 15.875 131 HD13 ILE 15 2HD1 ILE 15 4.405 20.514 14.972 132 H ASN 16 H ASN 16 -0.239 17.824 15.035 133 HA ASN 16 HA ASN 16 -1.972 20.146 14.613 134 HB2 ASN 16 1HB ASN 16 -2.825 17.287 14.760 135 HB3 ASN 16 2HB ASN 16 -3.858 18.508 15.498 136 HD21 ASN 16 2HD2 ASN 16 -4.218 20.466 14.026 137 HD22 ASN 16 1HD2 ASN 16 -4.608 20.103 12.382 138 H SER 17 H SER 17 0.219 19.017 16.504 139 HA SER 17 HA SER 17 -1.097 19.948 18.949 140 HG SER 17 HG SER 17 -2.101 17.457 18.952 141 HB2 SER 17 1HB SER 17 0.730 17.557 19.043 142 HB3 SER 17 2HB SER 17 -0.404 18.125 20.268 143 H VAL 18 H VAL 18 0.094 21.395 20.010 144 HA VAL 18 HA VAL 18 2.628 22.214 19.006 145 HB VAL 18 HB VAL 18 2.633 23.871 20.754 146 HG11 VAL 18 1HG1 VAL 18 1.188 24.366 18.901 147 HG12 VAL 18 2HG1 VAL 18 -0.119 23.415 19.609 148 HG13 VAL 18 3HG1 VAL 18 0.405 24.911 20.384 149 HG21 VAL 18 3HG2 VAL 18 0.655 23.826 22.402 150 HG22 VAL 18 1HG2 VAL 18 0.542 22.114 21.991 151 HG23 VAL 18 2HG2 VAL 18 2.022 22.753 22.708 152 H ASP 19 H ASP 19 1.675 19.845 21.247 153 HA ASP 19 HA ASP 19 3.813 19.874 23.064 154 HB2 ASP 19 1HB ASP 19 1.819 18.553 23.484 155 HB3 ASP 19 2HB ASP 19 2.143 17.557 22.068 156 H ASP 20 H ASP 20 3.474 18.424 19.873 157 HA ASP 20 HA ASP 20 6.045 17.113 20.019 158 HB2 ASP 20 1HB ASP 20 3.875 17.326 17.970 159 HB3 ASP 20 2HB ASP 20 5.483 16.820 17.462 160 H ILE 21 H ILE 21 6.689 19.575 20.588 161 HA ILE 21 HA ILE 21 7.851 20.646 18.103 162 HB ILE 21 HB ILE 21 6.761 22.234 20.427 163 HG12 ILE 21 1HG1 ILE 21 5.984 22.239 17.504 164 HG13 ILE 21 2HG1 ILE 21 5.104 21.386 18.767 165 HG21 ILE 21 1HG2 ILE 21 8.315 23.140 18.009 166 HG22 ILE 21 2HG2 ILE 21 7.452 24.219 19.104 167 HG23 ILE 21 3HG2 ILE 21 8.808 23.260 19.698 168 HD11 ILE 21 3HD1 ILE 21 5.493 24.360 18.541 169 HD12 ILE 21 1HD1 ILE 21 4.003 23.459 18.262 170 HD13 ILE 21 2HD1 ILE 21 4.692 23.543 19.883 171 H ILE 22 H ILE 22 9.968 21.265 18.177 172 HA ILE 22 HA ILE 22 11.354 21.035 20.763 173 HB ILE 22 HB ILE 22 13.297 20.046 19.532 174 HG12 ILE 22 1HG1 ILE 22 11.296 19.464 17.349 175 HG13 ILE 22 2HG1 ILE 22 12.423 20.814 17.268 176 HG21 ILE 22 1HG2 ILE 22 11.209 18.055 19.063 177 HG22 ILE 22 2HG2 ILE 22 12.597 18.011 20.149 178 HG23 ILE 22 3HG2 ILE 22 11.118 18.833 20.643 179 HD11 ILE 22 3HD1 ILE 22 14.285 19.188 17.485 180 HD12 ILE 22 1HD1 ILE 22 13.099 17.887 17.381 181 HD13 ILE 22 2HD1 ILE 22 13.320 18.990 16.022 182 H ILE 23 H ILE 23 13.813 21.771 20.256 183 HA ILE 23 HA ILE 23 13.609 24.558 19.689 184 HB ILE 23 HB ILE 23 16.031 22.821 20.169 185 HG12 ILE 23 1HG1 ILE 23 15.926 24.311 22.341 186 HG13 ILE 23 2HG1 ILE 23 14.228 24.467 21.903 187 HG21 ILE 23 1HG2 ILE 23 17.103 25.087 20.674 188 HG22 ILE 23 2HG2 ILE 23 16.868 24.654 18.981 189 HG23 ILE 23 3HG2 ILE 23 15.762 25.782 19.765 190 HD11 ILE 23 3HD1 ILE 23 13.802 22.227 22.250 191 HD12 ILE 23 1HD1 ILE 23 15.495 21.770 22.070 192 HD13 ILE 23 2HD1 ILE 23 14.956 22.603 23.528 193 H LYS 24 H LYS 24 14.448 21.757 17.842 194 HA LYS 24 HA LYS 24 15.627 23.355 15.702 195 HB2 LYS 24 1HB LYS 24 15.366 20.393 16.176 196 HB3 LYS 24 2HB LYS 24 15.875 21.039 14.621 197 HG2 LYS 24 1HG LYS 24 17.918 20.748 15.531 198 HG3 LYS 24 2HG LYS 24 17.585 22.351 16.190 199 HD2 LYS 24 1HD LYS 24 16.957 21.457 18.292 200 HD3 LYS 24 2HD LYS 24 16.892 19.813 17.653 201 HE2 LYS 24 1HE LYS 24 19.425 21.433 17.702 202 HE3 LYS 24 2HE LYS 24 18.923 20.421 19.055 203 HZ1 LYS 24 3HZ LYS 24 18.737 18.899 16.720 204 HZ2 LYS 24 1HZ LYS 24 19.796 18.687 18.023 205 HZ3 LYS 24 2HZ LYS 24 20.251 19.653 16.711 206 H CYS 25 H CYS 25 12.611 22.782 16.650 207 HA CYS 25 HA CYS 25 11.470 22.052 14.080 208 HG CYS 25 HG CYS 25 8.152 23.626 15.722 209 HB2 CYS 25 1HB CYS 25 10.331 21.079 15.910 210 HB3 CYS 25 2HB CYS 25 10.302 22.595 16.802 211 H GLN 26 H GLN 26 10.391 23.400 12.715 212 HA GLN 26 HA GLN 26 10.305 26.251 13.450 213 HB2 GLN 26 1HB GLN 26 10.956 25.081 10.740 214 HB3 GLN 26 2HB GLN 26 10.796 26.795 11.097 215 HG2 GLN 26 1HG GLN 26 12.738 26.805 12.427 216 HG3 GLN 26 2HG GLN 26 12.796 25.044 12.487 217 HE21 GLN 26 2HE2 GLN 26 13.700 23.919 10.818 218 HE22 GLN 26 1HE2 GLN 26 14.539 24.670 9.508 219 H CYS 27 H CYS 27 8.421 27.279 13.135 220 HA CYS 27 HA CYS 27 6.407 26.076 11.385 221 HG CYS 27 HG CYS 27 5.361 28.235 14.967 222 HB2 CYS 27 1HB CYS 27 4.664 26.444 13.138 223 HB3 CYS 27 2HB CYS 27 5.833 25.196 13.552 224 H TRP 28 H TRP 28 4.374 27.642 11.442 225 HA TRP 28 HA TRP 28 5.451 30.298 10.833 226 HD1 TRP 28 HD1 TRP 28 4.592 27.212 8.586 227 HE1 TRP 28 HE1 TRP 28 5.828 27.580 6.359 228 HE3 TRP 28 HE3 TRP 28 4.306 32.310 8.331 229 HZ2 TRP 28 HZ2 TRP 28 6.583 29.745 4.712 230 HZ3 TRP 28 HZ3 TRP 28 5.311 33.453 6.397 231 HH2 TRP 28 HH2 TRP 28 6.425 32.195 4.626 232 HB2 TRP 28 1HB TRP 28 2.949 28.845 9.991 233 HB3 TRP 28 2HB TRP 28 3.142 30.578 9.740 234 H VAL 29 H VAL 29 4.701 32.151 11.777 235 HA VAL 29 HA VAL 29 2.754 31.822 13.967 236 HB VAL 29 HB VAL 29 5.064 33.765 13.972 237 HG11 VAL 29 1HG1 VAL 29 4.456 34.299 16.159 238 HG12 VAL 29 2HG1 VAL 29 2.911 34.191 15.313 239 HG13 VAL 29 3HG1 VAL 29 3.455 32.858 16.333 240 HG21 VAL 29 3HG2 VAL 29 5.877 31.447 14.037 241 HG22 VAL 29 1HG2 VAL 29 6.154 32.286 15.564 242 HG23 VAL 29 2HG2 VAL 29 4.832 31.127 15.421 243 H GLN 30 H GLN 30 1.124 33.271 14.095 244 HA GLN 30 HA GLN 30 0.732 35.045 11.856 245 HB2 GLN 30 1HB GLN 30 -1.175 33.808 12.629 246 HB3 GLN 30 2HB GLN 30 -0.961 34.399 14.271 247 HG2 GLN 30 1HG GLN 30 -1.793 36.489 13.773 248 HG3 GLN 30 2HG GLN 30 -1.441 36.333 12.053 249 HE21 GLN 30 2HE2 GLN 30 -3.293 36.436 11.004 250 HE22 GLN 30 1HE2 GLN 30 -4.731 35.563 11.396 251 H LYS 31 H LYS 31 1.479 37.048 11.798 252 HA LYS 31 HA LYS 31 1.372 38.693 14.211 253 HB2 LYS 31 1HB LYS 31 3.744 37.550 13.471 254 HB3 LYS 31 2HB LYS 31 3.822 39.094 12.632 255 HG2 LYS 31 1HG LYS 31 4.880 39.266 14.792 256 HG3 LYS 31 2HG LYS 31 3.418 40.254 14.757 257 HD2 LYS 31 1HD LYS 31 2.215 38.685 16.058 258 HD3 LYS 31 2HD LYS 31 3.455 37.447 15.844 259 HE2 LYS 31 1HE LYS 31 5.027 39.007 17.072 260 HE3 LYS 31 2HE LYS 31 3.607 39.968 17.482 261 HZ1 LYS 31 3HZ LYS 31 4.430 38.157 19.107 262 HZ2 LYS 31 1HZ LYS 31 3.639 37.084 18.066 263 HZ3 LYS 31 2HZ LYS 31 2.770 38.319 18.827 264 H ASN 32 H ASN 32 0.821 40.774 13.827 265 HA ASN 32 HA ASN 32 -0.055 42.545 12.692 266 HB2 ASN 32 1HB ASN 32 2.400 42.780 12.214 267 HB3 ASN 32 2HB ASN 32 2.128 41.946 10.687 268 HD21 ASN 32 2HD2 ASN 32 1.955 43.244 9.025 269 HD22 ASN 32 1HD2 ASN 32 1.311 44.848 9.040 270 H ASP 33 H ASP 33 -1.588 40.405 12.263 271 HA ASP 33 HA ASP 33 -3.095 39.420 10.865 272 HB2 ASP 33 1HB ASP 33 -3.427 42.034 10.603 273 HB3 ASP 33 2HB ASP 33 -2.868 41.713 8.964 274 H GLU 34 H GLU 34 -0.249 38.911 10.373 275 HA GLU 34 HA GLU 34 -0.522 37.894 7.641 276 HB2 GLU 34 1HB GLU 34 1.673 39.655 8.673 277 HB3 GLU 34 2HB GLU 34 2.019 38.467 7.425 278 HG2 GLU 34 1HG GLU 34 0.087 39.507 6.133 279 HG3 GLU 34 2HG GLU 34 0.184 40.831 7.292 280 H GLU 35 H GLU 35 1.479 36.401 7.183 281 HA GLU 35 HA GLU 35 1.937 34.769 9.594 282 HB2 GLU 35 1HB GLU 35 0.920 34.051 6.939 283 HB3 GLU 35 2HB GLU 35 2.226 33.016 7.499 284 HG2 GLU 35 1HG GLU 35 1.006 32.189 9.254 285 HG3 GLU 35 2HG GLU 35 -0.037 33.607 9.339 286 H ARG 36 H ARG 36 3.991 34.445 10.134 287 HA ARG 36 HA ARG 36 6.060 34.739 8.062 288 HE ARG 36 HE ARG 36 8.791 38.273 8.884 289 HB2 ARG 36 1HB ARG 36 6.216 35.785 10.895 290 HB3 ARG 36 2HB ARG 36 7.503 35.864 9.700 291 HG2 ARG 36 1HG ARG 36 5.764 37.158 8.279 292 HG3 ARG 36 2HG ARG 36 4.943 37.394 9.824 293 HD2 ARG 36 1HD ARG 36 6.278 39.257 9.765 294 HD3 ARG 36 2HD ARG 36 7.328 38.131 10.623 295 HH11 ARG 36 1HH1 ARG 36 5.638 39.223 7.754 296 HH12 ARG 36 2HH1 ARG 36 6.195 39.669 6.175 297 HH21 ARG 36 1HH2 ARG 36 9.536 38.857 6.809 298 HH22 ARG 36 2HH2 ARG 36 8.412 39.459 5.638 299 H LEU 37 H LEU 37 7.686 33.268 8.097 300 HA LEU 37 HA LEU 37 7.312 30.887 9.617 301 HG LEU 37 HG LEU 37 9.564 29.401 9.399 302 HB2 LEU 37 1HB LEU 37 8.272 31.058 7.293 303 HB3 LEU 37 2HB LEU 37 9.753 31.661 8.034 304 HD11 LEU 37 1HD1 LEU 37 7.507 28.590 8.557 305 HD12 LEU 37 2HD1 LEU 37 8.771 27.614 7.811 306 HD13 LEU 37 3HD1 LEU 37 7.987 28.896 6.887 307 HD21 LEU 37 3HD2 LEU 37 11.357 28.773 8.198 308 HD22 LEU 37 1HD2 LEU 37 11.160 30.345 7.422 309 HD23 LEU 37 2HD2 LEU 37 10.502 28.897 6.660 310 H ALA 38 H ALA 38 7.727 30.841 11.730 311 HA ALA 38 HA ALA 38 10.137 32.208 12.724 312 HB1 ALA 38 1HB ALA 38 9.100 32.515 14.782 313 HB2 ALA 38 2HB ALA 38 7.793 32.777 13.626 314 HB3 ALA 38 3HB ALA 38 7.915 31.242 14.485 315 H GLU 39 H GLU 39 11.690 31.097 13.808 316 HA GLU 39 HA GLU 39 11.436 28.176 13.810 317 HB2 GLU 39 1HB GLU 39 13.362 28.930 12.613 318 HB3 GLU 39 2HB GLU 39 13.830 30.007 13.921 319 HG2 GLU 39 1HG GLU 39 14.429 28.172 15.318 320 HG3 GLU 39 2HG GLU 39 13.749 27.013 14.178 321 H ILE 40 H ILE 40 11.324 27.037 15.639 322 HA ILE 40 HA ILE 40 10.914 28.287 18.127 323 HB ILE 40 HB ILE 40 11.604 25.394 17.600 324 HG12 ILE 40 1HG1 ILE 40 9.612 26.220 16.352 325 HG13 ILE 40 2HG1 ILE 40 9.217 24.990 17.547 326 HG21 ILE 40 1HG2 ILE 40 11.864 25.597 19.875 327 HG22 ILE 40 2HG2 ILE 40 10.663 26.881 20.006 328 HG23 ILE 40 3HG2 ILE 40 10.146 25.213 19.764 329 HD11 ILE 40 3HD1 ILE 40 9.031 27.644 18.664 330 HD12 ILE 40 1HD1 ILE 40 8.013 27.461 17.236 331 HD13 ILE 40 2HD1 ILE 40 7.827 26.356 18.598 332 H LEU 41 H LEU 41 12.198 28.534 19.917 333 HA LEU 41 HA LEU 41 15.066 27.965 19.546 334 HG LEU 41 HG LEU 41 14.297 30.639 18.459 335 HB2 LEU 41 1HB LEU 41 13.664 30.307 20.788 336 HB3 LEU 41 2HB LEU 41 15.333 29.917 21.199 337 HD11 LEU 41 1HD1 LEU 41 14.368 32.563 19.899 338 HD12 LEU 41 2HD1 LEU 41 15.721 32.639 18.771 339 HD13 LEU 41 3HD1 LEU 41 15.993 32.146 20.442 340 HD21 LEU 41 3HD2 LEU 41 16.954 29.686 19.448 341 HD22 LEU 41 1HD2 LEU 41 16.856 30.782 18.070 342 HD23 LEU 41 2HD2 LEU 41 16.059 29.210 18.004 343 H SER 42 H SER 42 12.368 28.062 21.799 344 HA SER 42 HA SER 42 13.512 25.950 23.364 345 HG SER 42 HG SER 42 14.054 26.306 25.870 346 HB2 SER 42 1HB SER 42 14.237 28.530 24.127 347 HB3 SER 42 2HB SER 42 12.916 28.113 25.219 348 H ILE 43 H ILE 43 12.063 25.538 25.357 349 HA ILE 43 HA ILE 43 9.271 26.209 24.706 350 HB ILE 43 HB ILE 43 10.243 23.506 25.640 351 HG12 ILE 43 1HG1 ILE 43 9.067 24.245 22.956 352 HG13 ILE 43 2HG1 ILE 43 10.797 24.116 23.253 353 HG21 ILE 43 1HG2 ILE 43 7.519 24.621 25.051 354 HG22 ILE 43 2HG2 ILE 43 7.846 22.889 25.019 355 HG23 ILE 43 3HG2 ILE 43 8.086 23.803 26.508 356 HD11 ILE 43 3HD1 ILE 43 9.927 21.730 24.192 357 HD12 ILE 43 1HD1 ILE 43 8.785 22.026 22.881 358 HD13 ILE 43 2HD1 ILE 43 10.518 22.013 22.555 359 H ASN 44 H ASN 44 7.907 26.573 26.416 360 HA ASN 44 HA ASN 44 9.014 26.285 29.122 361 HB2 ASN 44 1HB ASN 44 9.364 28.597 28.596 362 HB3 ASN 44 2HB ASN 44 7.736 28.755 27.943 363 HD21 ASN 44 2HD2 ASN 44 7.112 30.382 29.299 364 HD22 ASN 44 1HD2 ASN 44 6.873 30.161 30.996 365 H THR 45 H THR 45 7.713 24.659 29.796 366 HA THR 45 HA THR 45 4.819 24.910 29.402 367 HB THR 45 HB THR 45 4.702 22.568 30.204 368 HG1 THR 45 HG1 THR 45 6.474 21.529 30.865 369 HG21 THR 45 3HG2 THR 45 6.749 22.285 28.133 370 HG22 THR 45 1HG2 THR 45 5.508 23.476 27.744 371 HG23 THR 45 2HG2 THR 45 5.050 21.814 28.117 372 H ARG 46 H ARG 46 5.158 26.764 31.052 373 HA ARG 46 HA ARG 46 4.846 25.656 33.766 374 HE ARG 46 HE ARG 46 9.037 26.241 35.793 375 HB2 ARG 46 1HB ARG 46 6.205 28.140 32.789 376 HB3 ARG 46 2HB ARG 46 5.511 28.110 34.405 377 HG2 ARG 46 1HG ARG 46 7.429 26.003 33.470 378 HG3 ARG 46 2HG ARG 46 7.977 27.529 34.167 379 HD2 ARG 46 1HD ARG 46 6.258 26.888 36.059 380 HD3 ARG 46 2HD ARG 46 6.534 25.259 35.445 381 HH11 ARG 46 1HH1 ARG 46 6.239 25.980 37.848 382 HH12 ARG 46 2HH1 ARG 46 7.162 25.823 39.306 383 HH21 ARG 46 1HH2 ARG 46 10.264 26.036 37.706 384 HH22 ARG 46 2HH2 ARG 46 9.451 25.856 39.224 385 H LYS 47 H LYS 47 3.043 26.626 31.350 386 HA LYS 47 HA LYS 47 1.031 27.825 33.106 387 HB2 LYS 47 1HB LYS 47 2.443 29.384 31.347 388 HB3 LYS 47 2HB LYS 47 1.034 28.944 30.390 389 HG2 LYS 47 1HG LYS 47 0.451 30.952 31.426 390 HG3 LYS 47 2HG LYS 47 -0.356 29.708 32.383 391 HD2 LYS 47 1HD LYS 47 0.569 30.831 34.111 392 HD3 LYS 47 2HD LYS 47 1.989 29.867 33.699 393 HE2 LYS 47 1HE LYS 47 1.715 32.347 32.160 394 HE3 LYS 47 2HE LYS 47 1.939 32.588 33.892 395 HZ1 LYS 47 3HZ LYS 47 3.777 31.471 31.919 396 HZ2 LYS 47 1HZ LYS 47 3.815 30.799 33.471 397 HZ3 LYS 47 2HZ LYS 47 4.094 32.453 33.259 398 H ALA 48 H ALA 48 -1.114 28.032 31.727 399 HA ALA 48 HA ALA 48 -1.411 25.723 29.949 400 HB1 ALA 48 1HB ALA 48 -2.785 26.118 32.568 401 HB2 ALA 48 2HB ALA 48 -3.633 25.301 31.254 402 HB3 ALA 48 3HB ALA 48 -2.110 24.650 31.861 403 HA PRO 49 HA PRO 49 -1.766 25.450 28.120 404 HB2 PRO 49 1HB PRO 49 -1.178 26.662 25.763 405 HB3 PRO 49 2HB PRO 49 -2.708 25.827 26.058 406 HG2 PRO 49 1HG PRO 49 -2.095 28.755 26.168 407 HG3 PRO 49 2HG PRO 49 -3.501 27.932 25.468 408 HD2 PRO 49 1HD PRO 49 -3.571 29.124 27.899 409 HD3 PRO 49 2HD PRO 49 -4.530 27.679 27.515 410 HA PRO 50 HA PRO 50 2.328 26.822 28.952 411 HB2 PRO 50 1HB PRO 50 3.788 25.402 27.157 412 HB3 PRO 50 2HB PRO 50 3.024 24.666 28.571 413 HG2 PRO 50 1HG PRO 50 2.087 24.727 25.728 414 HG3 PRO 50 2HG PRO 50 2.075 23.380 26.881 415 HD2 PRO 50 1HD PRO 50 -0.132 24.850 26.334 416 HD3 PRO 50 2HD PRO 50 0.164 24.131 27.930 417 H LYS 51 H LYS 51 4.433 27.520 27.717 418 HA LYS 51 HA LYS 51 3.658 29.279 25.483 419 HB2 LYS 51 1HB LYS 51 5.285 29.865 27.933 420 HB3 LYS 51 2HB LYS 51 5.571 30.767 26.451 421 HG2 LYS 51 1HG LYS 51 3.247 31.499 26.436 422 HG3 LYS 51 2HG LYS 51 2.942 30.577 27.910 423 HD2 LYS 51 1HD LYS 51 4.244 32.001 29.215 424 HD3 LYS 51 2HD LYS 51 5.105 32.650 27.818 425 HE2 LYS 51 1HE LYS 51 3.105 33.817 27.095 426 HE3 LYS 51 2HE LYS 51 2.186 33.110 28.423 427 HZ1 LYS 51 3HZ LYS 51 2.719 35.117 29.318 428 HZ2 LYS 51 1HZ LYS 51 4.180 35.252 28.476 429 HZ3 LYS 51 2HZ LYS 51 4.072 34.240 29.826 430 H PHE 52 H PHE 52 5.410 29.869 24.030 431 HA PHE 52 HA PHE 52 7.720 28.070 24.082 432 HD1 PHE 52 HD1 PHE 52 4.024 27.651 23.153 433 HD2 PHE 52 HD2 PHE 52 7.468 25.294 22.316 434 HE1 PHE 52 HE1 PHE 52 2.795 25.625 23.816 435 HE2 PHE 52 HE2 PHE 52 6.244 23.264 22.976 436 HZ PHE 52 HZ PHE 52 3.904 23.428 23.727 437 HB2 PHE 52 1HB PHE 52 5.917 28.451 21.682 438 HB3 PHE 52 2HB PHE 52 7.426 27.544 21.692 439 H TYR 53 H TYR 53 9.540 28.820 22.943 440 HA TYR 53 HA TYR 53 9.508 31.715 22.487 441 HD1 TYR 53 HD2 TYR 53 10.308 33.204 23.639 442 HD2 TYR 53 HD1 TYR 53 13.941 31.314 22.486 443 HE1 TYR 53 HE2 TYR 53 11.443 35.386 23.662 444 HE2 TYR 53 HE1 TYR 53 15.087 33.490 22.507 445 HH TYR 53 HH TYR 53 14.581 35.823 23.840 446 HB2 TYR 53 1HB TYR 53 11.166 30.474 24.071 447 HB3 TYR 53 2HB TYR 53 12.004 30.049 22.582 448 H VAL 54 H VAL 54 9.335 32.397 20.467 449 HA VAL 54 HA VAL 54 10.412 30.707 18.305 450 HB VAL 54 HB VAL 54 8.825 31.984 16.817 451 HG11 VAL 54 1HG1 VAL 54 7.270 30.534 18.920 452 HG12 VAL 54 2HG1 VAL 54 7.110 30.471 17.163 453 HG13 VAL 54 3HG1 VAL 54 8.470 29.674 17.956 454 HG21 VAL 54 3HG2 VAL 54 8.408 33.904 18.217 455 HG22 VAL 54 1HG2 VAL 54 6.890 33.050 17.938 456 HG23 VAL 54 2HG2 VAL 54 7.727 32.879 19.481 457 H HIS 55 H HIS 55 11.340 31.804 16.463 458 HA HIS 55 HA HIS 55 12.219 34.556 16.945 459 HD1 HIS 55 HD1 HIS 55 14.132 35.877 15.858 460 HD2 HIS 55 HD2 HIS 55 16.301 32.397 15.190 461 HE1 HIS 55 HE1 HIS 55 16.015 36.541 14.329 462 HB2 HIS 55 1HB HIS 55 14.121 33.471 17.748 463 HB3 HIS 55 2HB HIS 55 13.981 32.154 16.587 464 H TYR 56 H TYR 56 11.657 35.703 15.228 465 HA TYR 56 HA TYR 56 10.850 34.590 12.774 466 HD1 TYR 56 HD2 TYR 56 8.525 36.201 11.960 467 HD2 TYR 56 HD1 TYR 56 10.412 37.587 15.512 468 HE1 TYR 56 HE2 TYR 56 6.321 36.465 13.021 469 HE2 TYR 56 HE1 TYR 56 8.215 37.853 16.583 470 HH TYR 56 HH TYR 56 5.743 36.581 16.051 471 HB2 TYR 56 1HB TYR 56 11.650 37.426 13.455 472 HB3 TYR 56 2HB TYR 56 10.867 36.943 11.955 473 H VAL 57 H VAL 57 12.214 33.491 11.513 474 HA VAL 57 HA VAL 57 14.990 33.858 11.365 475 HB VAL 57 HB VAL 57 13.150 32.625 9.310 476 HG11 VAL 57 1HG1 VAL 57 15.272 33.163 8.303 477 HG12 VAL 57 2HG1 VAL 57 16.140 32.432 9.655 478 HG13 VAL 57 3HG1 VAL 57 15.184 31.422 8.569 479 HG21 VAL 57 3HG2 VAL 57 14.383 30.554 10.517 480 HG22 VAL 57 1HG2 VAL 57 14.276 31.685 11.866 481 HG23 VAL 57 2HG2 VAL 57 12.814 31.184 11.016 482 H ASN 58 H ASN 58 12.363 35.423 9.709 483 HA ASN 58 HA ASN 58 13.952 36.528 7.598 484 HB2 ASN 58 1HB ASN 58 11.245 37.432 8.604 485 HB3 ASN 58 2HB ASN 58 11.973 37.833 7.051 486 HD21 ASN 58 2HD2 ASN 58 10.135 35.584 8.818 487 HD22 ASN 58 1HD2 ASN 58 9.938 34.408 7.568 488 H TYR 59 H TYR 59 13.244 37.395 10.862 489 HA TYR 59 HA TYR 59 14.441 40.052 10.447 490 HD1 TYR 59 HD2 TYR 59 13.042 41.868 10.234 491 HD2 TYR 59 HD1 TYR 59 10.414 39.077 12.081 492 HE1 TYR 59 HE2 TYR 59 11.160 42.804 8.957 493 HE2 TYR 59 HE1 TYR 59 8.524 40.005 10.808 494 HH TYR 59 HH TYR 59 8.037 41.287 8.909 495 HB2 TYR 59 1HB TYR 59 12.639 39.038 12.652 496 HB3 TYR 59 2HB TYR 59 13.414 40.618 12.662 497 H ASN 60 H ASN 60 15.351 40.740 12.838 498 HA ASN 60 HA ASN 60 17.659 39.044 13.166 499 HB2 ASN 60 1HB ASN 60 16.825 41.663 14.414 500 HB3 ASN 60 2HB ASN 60 18.296 40.815 14.881 501 HD21 ASN 60 2HD2 ASN 60 16.725 42.706 12.470 502 HD22 ASN 60 1HD2 ASN 60 18.098 42.933 11.446 503 H LYS 61 H LYS 61 18.431 38.710 15.526 504 HA LYS 61 HA LYS 61 16.587 36.956 16.777 505 HB2 LYS 61 1HB LYS 61 19.104 36.760 16.816 506 HB3 LYS 61 2HB LYS 61 19.119 38.074 17.985 507 HG2 LYS 61 1HG LYS 61 18.320 36.776 19.666 508 HG3 LYS 61 2HG LYS 61 17.387 35.746 18.578 509 HD2 LYS 61 1HD LYS 61 19.190 34.402 18.088 510 HD3 LYS 61 2HD LYS 61 20.366 35.669 18.444 511 HE2 LYS 61 1HE LYS 61 20.255 35.309 20.726 512 HE3 LYS 61 2HE LYS 61 18.660 34.566 20.635 513 HZ1 LYS 61 3HZ LYS 61 21.026 33.270 19.432 514 HZ2 LYS 61 1HZ LYS 61 19.550 32.572 19.876 515 HZ3 LYS 61 2HZ LYS 61 20.647 33.059 21.067 516 H ARG 62 H ARG 62 16.943 40.300 16.915 517 HA ARG 62 HA ARG 62 16.091 40.649 19.647 518 HE ARG 62 HE ARG 62 16.807 45.088 18.097 519 HB2 ARG 62 1HB ARG 62 16.002 43.037 19.086 520 HB3 ARG 62 2HB ARG 62 17.531 42.318 18.597 521 HG2 ARG 62 1HG ARG 62 16.217 42.028 16.307 522 HG3 ARG 62 2HG ARG 62 15.333 43.415 16.948 523 HD2 ARG 62 1HD ARG 62 18.330 43.247 16.646 524 HD3 ARG 62 2HD ARG 62 17.242 44.069 15.528 525 HH11 ARG 62 1HH1 ARG 62 19.276 45.040 15.644 526 HH12 ARG 62 2HH1 ARG 62 19.951 46.567 16.109 527 HH21 ARG 62 1HH2 ARG 62 17.686 47.099 18.719 528 HH22 ARG 62 2HH2 ARG 62 19.046 47.736 17.859 529 H LEU 63 H LEU 63 14.523 39.580 16.995 530 HA LEU 63 HA LEU 63 12.014 40.986 17.555 531 HG LEU 63 HG LEU 63 11.755 41.096 13.916 532 HB2 LEU 63 1HB LEU 63 13.158 39.586 15.239 533 HB3 LEU 63 2HB LEU 63 11.440 39.301 15.505 534 HD11 LEU 63 1HD1 LEU 63 10.932 42.737 16.191 535 HD12 LEU 63 2HD1 LEU 63 10.123 41.173 16.099 536 HD13 LEU 63 3HD1 LEU 63 10.048 42.286 14.733 537 HD21 LEU 63 3HD2 LEU 63 14.027 41.725 14.972 538 HD22 LEU 63 1HD2 LEU 63 13.068 42.765 16.026 539 HD23 LEU 63 2HD2 LEU 63 13.027 43.003 14.279 540 H ASP 64 H ASP 64 13.600 37.958 17.988 541 HA ASP 64 HA ASP 64 11.515 36.161 18.187 542 HB2 ASP 64 1HB ASP 64 12.939 34.857 19.669 543 HB3 ASP 64 2HB ASP 64 13.907 35.558 18.375 544 H GLU 65 H GLU 65 10.491 35.245 20.126 545 HA GLU 65 HA GLU 65 10.357 36.661 22.566 546 HB2 GLU 65 1HB GLU 65 8.026 37.511 22.353 547 HB3 GLU 65 2HB GLU 65 9.179 38.356 21.329 548 HG2 GLU 65 1HG GLU 65 8.415 37.186 19.390 549 HG3 GLU 65 2HG GLU 65 7.389 36.139 20.369 550 H TRP 66 H TRP 66 8.118 35.995 23.706 551 HA TRP 66 HA TRP 66 7.963 33.085 23.358 552 HD1 TRP 66 HD1 TRP 66 9.663 35.884 25.749 553 HE1 TRP 66 HE1 TRP 66 11.870 34.914 26.652 554 HE3 TRP 66 HE3 TRP 66 8.352 30.947 25.962 555 HZ2 TRP 66 HZ2 TRP 66 12.916 32.389 27.360 556 HZ3 TRP 66 HZ3 TRP 66 10.015 29.319 26.763 557 HH2 TRP 66 HH2 TRP 66 12.249 30.027 27.446 558 HB2 TRP 66 1HB TRP 66 7.153 34.814 25.707 559 HB3 TRP 66 2HB TRP 66 7.051 33.056 25.652 560 H ILE 67 H ILE 67 6.365 32.561 21.996 561 HA ILE 67 HA ILE 67 3.823 34.012 22.147 562 HB ILE 67 HB ILE 67 3.255 32.883 20.034 563 HG12 ILE 67 1HG1 ILE 67 6.090 31.853 19.992 564 HG13 ILE 67 2HG1 ILE 67 4.743 30.871 20.557 565 HG21 ILE 67 1HG2 ILE 67 4.518 35.072 20.169 566 HG22 ILE 67 2HG2 ILE 67 5.970 34.149 19.789 567 HG23 ILE 67 3HG2 ILE 67 4.633 34.200 18.641 568 HD11 ILE 67 3HD1 ILE 67 3.664 31.182 18.350 569 HD12 ILE 67 1HD1 ILE 67 5.115 32.022 17.805 570 HD13 ILE 67 2HD1 ILE 67 5.203 30.325 18.278 571 H THR 68 H THR 68 1.823 32.675 21.867 572 HA THR 68 HA THR 68 2.015 30.267 23.549 573 HB THR 68 HB THR 68 -0.610 30.791 23.637 574 HG1 THR 68 HG1 THR 68 -0.833 33.106 23.769 575 HG21 THR 68 3HG2 THR 68 1.482 32.195 25.304 576 HG22 THR 68 1HG2 THR 68 0.860 30.568 25.576 577 HG23 THR 68 2HG2 THR 68 -0.205 31.962 25.758 578 H THR 69 H THR 69 0.040 28.755 23.139 579 HA THR 69 HA THR 69 0.353 27.553 20.655 580 HB THR 69 HB THR 69 -1.577 26.185 21.182 581 HG1 THR 69 HG1 THR 69 -2.126 28.264 23.031 582 HG21 THR 69 3HG2 THR 69 0.576 25.899 22.466 583 HG22 THR 69 1HG2 THR 69 -0.864 25.261 23.258 584 HG23 THR 69 2HG2 THR 69 -0.177 26.800 23.781 585 H ASP 70 H ASP 70 -2.100 29.851 21.755 586 HA ASP 70 HA ASP 70 -3.687 29.760 19.413 587 HB2 ASP 70 1HB ASP 70 -3.417 31.705 21.685 588 HB3 ASP 70 2HB ASP 70 -4.419 32.098 20.291 589 H ARG 71 H ARG 71 -0.619 31.042 19.989 590 HA ARG 71 HA ARG 71 -0.851 33.024 17.843 591 HE ARG 71 HE ARG 71 0.471 36.577 21.983 592 HB2 ARG 71 1HB ARG 71 1.300 32.493 19.893 593 HB3 ARG 71 2HB ARG 71 1.496 33.633 18.568 594 HG2 ARG 71 1HG ARG 71 -0.734 34.635 19.509 595 HG3 ARG 71 2HG ARG 71 -0.228 33.812 20.985 596 HD2 ARG 71 1HD ARG 71 1.849 35.018 21.011 597 HD3 ARG 71 2HD ARG 71 1.507 35.726 19.433 598 HH11 ARG 71 1HH1 ARG 71 0.020 36.609 18.531 599 HH12 ARG 71 2HH1 ARG 71 -0.945 38.048 18.540 600 HH21 ARG 71 1HH2 ARG 71 -0.799 38.472 22.008 601 HH22 ARG 71 2HH2 ARG 71 -1.409 39.107 20.517 602 H ILE 72 H ILE 72 -0.251 29.830 18.093 603 HA ILE 72 HA ILE 72 1.898 29.782 16.100 604 HB ILE 72 HB ILE 72 0.666 27.513 17.668 605 HG12 ILE 72 1HG1 ILE 72 3.474 28.553 17.941 606 HG13 ILE 72 2HG1 ILE 72 2.150 29.289 18.839 607 HG21 ILE 72 1HG2 ILE 72 2.811 27.607 15.579 608 HG22 ILE 72 2HG2 ILE 72 2.788 26.339 16.803 609 HG23 ILE 72 3HG2 ILE 72 1.423 26.525 15.702 610 HD11 ILE 72 3HD1 ILE 72 3.474 26.685 19.202 611 HD12 ILE 72 1HD1 ILE 72 2.778 27.787 20.390 612 HD13 ILE 72 2HD1 ILE 72 1.729 26.721 19.455 613 H ASN 73 H ASN 73 1.649 28.892 14.082 614 HA ASN 73 HA ASN 73 -1.123 28.532 13.203 615 HB2 ASN 73 1HB ASN 73 1.395 28.979 11.585 616 HB3 ASN 73 2HB ASN 73 -0.234 28.862 10.926 617 HD21 ASN 73 2HD2 ASN 73 -0.861 30.790 10.296 618 HD22 ASN 73 1HD2 ASN 73 -0.665 32.263 11.176 619 H LEU 74 H LEU 74 -1.738 26.465 13.411 620 HA LEU 74 HA LEU 74 0.137 24.319 12.773 621 HG LEU 74 HG LEU 74 -0.577 24.702 15.592 622 HB2 LEU 74 1HB LEU 74 -2.531 24.435 14.130 623 HB3 LEU 74 2HB LEU 74 -1.881 22.904 13.548 624 HD11 LEU 74 1HD1 LEU 74 -2.478 23.721 16.601 625 HD12 LEU 74 2HD1 LEU 74 -1.093 22.753 17.105 626 HD13 LEU 74 3HD1 LEU 74 -2.168 22.161 15.839 627 HD21 LEU 74 3HD2 LEU 74 0.569 22.224 15.776 628 HD22 LEU 74 1HD2 LEU 74 1.272 23.617 14.955 629 HD23 LEU 74 2HD2 LEU 74 0.365 22.417 14.034 630 H ASP 75 H ASP 75 -1.273 26.150 10.796 631 HA ASP 75 HA ASP 75 -2.791 24.161 9.268 632 HB2 ASP 75 1HB ASP 75 -3.608 26.581 9.730 633 HB3 ASP 75 2HB ASP 75 -2.463 27.041 8.474 634 H LYS 76 H LYS 76 0.228 25.801 9.357 635 HA LYS 76 HA LYS 76 0.843 25.049 6.591 636 HB2 LYS 76 1HB LYS 76 1.982 27.005 8.533 637 HB3 LYS 76 2HB LYS 76 3.056 26.330 7.314 638 HG2 LYS 76 1HG LYS 76 2.287 28.275 6.327 639 HG3 LYS 76 2HG LYS 76 1.240 27.035 5.632 640 HD2 LYS 76 1HD LYS 76 -0.552 27.619 7.084 641 HD3 LYS 76 2HD LYS 76 0.494 28.653 8.062 642 HE2 LYS 76 1HE LYS 76 0.467 30.354 6.537 643 HE3 LYS 76 2HE LYS 76 0.244 29.268 5.167 644 HZ1 LYS 76 3HZ LYS 76 -1.707 30.721 5.807 645 HZ2 LYS 76 1HZ LYS 76 -1.891 29.725 7.163 646 HZ3 LYS 76 2HZ LYS 76 -2.031 29.072 5.609 647 H GLU 77 H GLU 77 2.512 23.667 6.063 648 HA GLU 77 HA GLU 77 3.015 21.488 7.676 649 HB2 GLU 77 1HB GLU 77 4.839 22.573 5.523 650 HB3 GLU 77 2HB GLU 77 4.833 20.928 6.142 651 HG2 GLU 77 1HG GLU 77 2.655 20.527 5.231 652 HG3 GLU 77 2HG GLU 77 2.497 22.217 4.754 653 H VAL 78 H VAL 78 4.738 20.822 8.968 654 HA VAL 78 HA VAL 78 6.282 23.028 10.141 655 HB VAL 78 HB VAL 78 5.687 20.279 11.245 656 HG11 VAL 78 1HG1 VAL 78 7.220 22.596 12.411 657 HG12 VAL 78 2HG1 VAL 78 6.655 21.212 13.349 658 HG13 VAL 78 3HG1 VAL 78 7.827 20.980 12.052 659 HG21 VAL 78 3HG2 VAL 78 4.534 23.002 11.756 660 HG22 VAL 78 1HG2 VAL 78 3.696 21.494 11.389 661 HG23 VAL 78 2HG2 VAL 78 4.448 21.724 12.968 662 H LEU 79 H LEU 79 8.496 22.927 10.371 663 HA LEU 79 HA LEU 79 9.831 20.910 8.706 664 HG LEU 79 HG LEU 79 11.323 23.827 7.098 665 HB2 LEU 79 1HB LEU 79 10.242 23.751 9.220 666 HB3 LEU 79 2HB LEU 79 11.724 22.804 9.329 667 HD11 LEU 79 1HD1 LEU 79 12.701 21.785 7.446 668 HD12 LEU 79 2HD1 LEU 79 11.975 21.896 5.843 669 HD13 LEU 79 3HD1 LEU 79 11.281 20.815 7.052 670 HD21 LEU 79 3HD2 LEU 79 9.319 21.785 6.405 671 HD22 LEU 79 1HD2 LEU 79 9.479 23.455 5.860 672 HD23 LEU 79 2HD2 LEU 79 8.742 23.105 7.424 673 H TYR 80 H TYR 80 11.101 19.418 9.596 674 HA TYR 80 HA TYR 80 11.986 19.821 12.378 675 HD1 TYR 80 HD2 TYR 80 10.978 18.113 14.609 676 HD2 TYR 80 HD1 TYR 80 8.671 18.160 11.034 677 HE1 TYR 80 HE2 TYR 80 8.942 18.491 15.935 678 HE2 TYR 80 HE1 TYR 80 6.628 18.539 12.351 679 HH TYR 80 HH TYR 80 6.499 19.662 15.261 680 HB2 TYR 80 1HB TYR 80 10.943 17.340 11.023 681 HB3 TYR 80 2HB TYR 80 11.891 17.264 12.504 682 HA PRO 81 HA PRO 81 16.120 19.077 11.109 683 HB2 PRO 81 1HB PRO 81 17.121 17.746 13.252 684 HB3 PRO 81 2HB PRO 81 16.741 19.472 13.285 685 HG2 PRO 81 1HG PRO 81 15.135 17.159 14.301 686 HG3 PRO 81 2HG PRO 81 15.431 18.734 15.059 687 HD2 PRO 81 1HD PRO 81 13.130 18.155 13.756 688 HD3 PRO 81 2HD PRO 81 13.822 19.789 13.789 689 H LYS 82 H LYS 82 17.668 17.442 10.519 690 HA LYS 82 HA LYS 82 16.392 14.854 9.966 691 HB2 LYS 82 1HB LYS 82 17.121 16.043 7.981 692 HB3 LYS 82 2HB LYS 82 18.739 16.228 8.645 693 HG2 LYS 82 1HG LYS 82 19.361 14.167 8.031 694 HG3 LYS 82 2HG LYS 82 17.808 13.456 8.478 695 HD2 LYS 82 1HD LYS 82 16.877 14.578 6.389 696 HD3 LYS 82 2HD LYS 82 18.556 14.860 5.925 697 HE2 LYS 82 1HE LYS 82 17.753 12.835 4.882 698 HE3 LYS 82 2HE LYS 82 18.977 12.436 6.086 699 HZ1 LYS 82 3HZ LYS 82 17.460 11.453 7.442 700 HZ2 LYS 82 1HZ LYS 82 16.714 11.143 5.955 701 HZ3 LYS 82 2HZ LYS 82 16.173 12.421 6.922 702 H LEU 83 H LEU 83 17.426 12.919 10.428 703 HA LEU 83 HA LEU 83 19.852 13.107 12.086 704 HG LEU 83 HG LEU 83 17.166 13.690 13.333 705 HB2 LEU 83 1HB LEU 83 17.484 11.299 12.548 706 HB3 LEU 83 2HB LEU 83 18.979 11.292 13.482 707 HD11 LEU 83 1HD1 LEU 83 16.754 11.184 14.713 708 HD12 LEU 83 2HD1 LEU 83 15.679 12.572 14.547 709 HD13 LEU 83 3HD1 LEU 83 16.879 12.537 15.839 710 HD21 LEU 83 3HD2 LEU 83 19.728 13.486 14.205 711 HD22 LEU 83 1HD2 LEU 83 18.833 13.152 15.688 712 HD23 LEU 83 2HD2 LEU 83 18.555 14.656 14.810 713 H LYS 84 H LYS 84 21.443 11.697 11.627 714 HA LYS 84 HA LYS 84 20.860 9.345 9.994 715 HB2 LYS 84 1HB LYS 84 21.438 11.152 8.412 716 HB3 LYS 84 2HB LYS 84 22.966 11.385 9.251 717 HG2 LYS 84 1HG LYS 84 23.653 10.070 7.526 718 HG3 LYS 84 2HG LYS 84 23.269 8.827 8.719 719 HD2 LYS 84 1HD LYS 84 22.256 8.069 6.751 720 HD3 LYS 84 2HD LYS 84 20.934 8.804 7.661 721 HE2 LYS 84 1HE LYS 84 20.931 10.725 6.301 722 HE3 LYS 84 2HE LYS 84 22.504 10.335 5.607 723 HZ1 LYS 84 3HZ LYS 84 19.870 9.188 4.995 724 HZ2 LYS 84 1HZ LYS 84 21.251 8.235 4.775 725 HZ3 LYS 84 2HZ LYS 84 21.091 9.698 3.941 726 H ALA 85 H ALA 85 22.164 7.623 10.412 727 HA ALA 85 HA ALA 85 23.661 7.604 12.805 728 HB1 ALA 85 1HB ALA 85 23.101 5.660 10.636 729 HB2 ALA 85 2HB ALA 85 24.470 5.330 11.699 730 HB3 ALA 85 3HB ALA 85 22.853 5.521 12.377 731 H THR 86 H THR 86 25.563 8.559 13.082 732 HA THR 86 HA THR 86 27.626 8.206 11.022 733 HB THR 86 HB THR 86 27.513 10.795 12.518 734 HG1 THR 86 HG1 THR 86 26.376 11.484 10.425 735 HG21 THR 86 3HG2 THR 86 29.400 9.890 10.946 736 HG22 THR 86 1HG2 THR 86 28.906 11.580 10.851 737 HG23 THR 86 2HG2 THR 86 28.313 10.419 9.663 738 H ASP 87 H ASP 87 29.231 7.108 11.921 739 HA ASP 87 HA ASP 87 29.831 7.553 14.769 740 HB2 ASP 87 1HB ASP 87 29.161 5.237 14.100 741 HB3 ASP 87 2HB ASP 87 30.590 5.168 13.073 742 H GLU 88 H GLU 88 30.895 9.528 13.586 743 HA GLU 88 HA GLU 88 33.625 8.802 12.764 744 HB2 GLU 88 1HB GLU 88 31.903 11.202 12.201 745 HB3 GLU 88 2HB GLU 88 33.648 11.268 11.996 746 HG2 GLU 88 1HG GLU 88 33.374 9.215 10.506 747 HG3 GLU 88 2HG GLU 88 31.654 9.599 10.510 748 H ASP 89 H ASP 89 35.183 10.767 13.304 749 HA ASP 89 HA ASP 89 34.723 11.628 16.074 750 HB2 ASP 89 1HB ASP 89 36.133 9.770 16.410 751 HB3 ASP 89 2HB ASP 89 37.110 10.147 14.993 Start of MODEL 2 1 H1 GLY -2 H GLY -2 9.386 6.718 -25.028 2 HA2 GLY -2 1HA GLY -2 7.923 6.332 -22.655 3 HA3 GLY -2 2HA GLY -2 8.736 4.827 -23.061 4 H SER -1 H SER -1 11.125 5.068 -23.549 5 HA SER -1 HA SER -1 12.328 6.481 -21.341 6 HG SER -1 HG SER -1 13.756 3.414 -21.449 7 HB2 SER -1 1HB SER -1 13.589 4.778 -23.505 8 HB3 SER -1 2HB SER -1 14.412 5.374 -22.063 9 H HIS 0 H HIS 0 12.554 8.619 -21.586 10 HA HIS 0 HA HIS 0 13.974 9.568 -23.982 11 HD1 HIS 0 HD1 HIS 0 13.294 10.771 -26.085 12 HD2 HIS 0 HD2 HIS 0 12.213 13.707 -23.352 13 HE1 HIS 0 HE1 HIS 0 13.771 12.960 -27.227 14 HB2 HIS 0 1HB HIS 0 11.495 10.126 -23.981 15 HB3 HIS 0 2HB HIS 0 11.817 11.156 -22.589 16 H MET 1 H MET 1 12.979 10.480 -20.684 17 HA MET 1 HA MET 1 15.602 11.784 -20.363 18 HB2 MET 1 1HB MET 1 12.875 12.549 -19.398 19 HB3 MET 1 2HB MET 1 14.283 13.021 -18.458 20 HG2 MET 1 1HG MET 1 15.158 13.939 -20.723 21 HG3 MET 1 2HG MET 1 13.461 13.875 -21.193 22 HE1 MET 1 3HE MET 1 16.000 15.321 -18.517 23 HE2 MET 1 1HE MET 1 16.091 16.094 -20.099 24 HE3 MET 1 2HE MET 1 15.523 17.010 -18.703 25 H SER 2 H SER 2 16.197 11.954 -17.944 26 HA SER 2 HA SER 2 15.823 9.284 -16.770 27 HG SER 2 HG SER 2 18.569 11.134 -17.967 28 HB2 SER 2 1HB SER 2 17.981 11.191 -15.918 29 HB3 SER 2 2HB SER 2 17.966 9.429 -15.855 30 H HIS 3 H HIS 3 15.653 9.108 -14.449 31 HA HIS 3 HA HIS 3 14.420 11.486 -13.218 32 HD1 HIS 3 HD1 HIS 3 11.689 11.789 -13.026 33 HD2 HIS 3 HD2 HIS 3 12.154 8.257 -15.164 34 HE1 HIS 3 HE1 HIS 3 9.906 11.836 -14.799 35 HB2 HIS 3 1HB HIS 3 13.698 8.568 -12.952 36 HB3 HIS 3 2HB HIS 3 13.118 9.798 -11.832 37 H ASP 4 H ASP 4 17.014 11.469 -12.895 38 HA ASP 4 HA ASP 4 17.493 10.277 -10.242 39 HB2 ASP 4 1HB ASP 4 19.398 10.841 -12.512 40 HB3 ASP 4 2HB ASP 4 19.953 10.526 -10.870 41 H GLY 5 H GLY 5 19.180 11.541 -8.959 42 HA2 GLY 5 1HA GLY 5 19.740 14.230 -9.383 43 HA3 GLY 5 2HA GLY 5 18.195 14.169 -8.548 44 H LYS 6 H LYS 6 18.999 15.153 -6.691 45 HA LYS 6 HA LYS 6 20.652 13.388 -5.024 46 HB2 LYS 6 1HB LYS 6 22.105 15.171 -5.860 47 HB3 LYS 6 2HB LYS 6 20.975 16.385 -5.274 48 HG2 LYS 6 1HG LYS 6 22.640 16.347 -3.658 49 HG3 LYS 6 2HG LYS 6 21.362 15.348 -2.962 50 HD2 LYS 6 1HD LYS 6 23.254 14.070 -2.578 51 HD3 LYS 6 2HD LYS 6 22.639 13.385 -4.084 52 HE2 LYS 6 1HE LYS 6 24.923 13.647 -4.479 53 HE3 LYS 6 2HE LYS 6 24.197 15.057 -5.249 54 HZ1 LYS 6 3HZ LYS 6 24.665 16.186 -3.004 55 HZ2 LYS 6 1HZ LYS 6 25.956 15.943 -4.070 56 HZ3 LYS 6 2HZ LYS 6 25.747 14.911 -2.747 57 H GLU 7 H GLU 7 19.778 12.991 -3.096 58 HA GLU 7 HA GLU 7 17.342 14.361 -2.342 59 HB2 GLU 7 1HB GLU 7 17.638 11.873 -2.162 60 HB3 GLU 7 2HB GLU 7 18.788 12.160 -0.863 61 HG2 GLU 7 1HG GLU 7 16.631 11.594 0.047 62 HG3 GLU 7 2HG GLU 7 17.031 13.265 0.437 63 H GLU 8 H GLU 8 17.362 16.150 -1.168 64 HA GLU 8 HA GLU 8 19.675 16.728 0.532 65 HB2 GLU 8 1HB GLU 8 17.623 18.365 -0.854 66 HB3 GLU 8 2HB GLU 8 18.227 18.985 0.676 67 HG2 GLU 8 1HG GLU 8 19.615 19.967 -0.892 68 HG3 GLU 8 2HG GLU 8 20.560 18.596 -0.312 69 HA PRO 9 HA PRO 9 17.585 16.133 4.342 70 HB2 PRO 9 1HB PRO 9 18.492 18.208 5.839 71 HB3 PRO 9 2HB PRO 9 19.505 16.829 5.395 72 HG2 PRO 9 1HG PRO 9 19.357 19.548 4.153 73 HG3 PRO 9 2HG PRO 9 20.785 18.567 4.531 74 HD2 PRO 9 1HD PRO 9 19.752 18.736 2.033 75 HD3 PRO 9 2HD PRO 9 20.549 17.270 2.640 76 H GLY 10 H GLY 10 16.248 17.326 6.062 77 HA2 GLY 10 1HA GLY 10 14.799 19.206 6.548 78 HA3 GLY 10 2HA GLY 10 14.640 19.462 4.816 79 H ILE 11 H ILE 11 13.057 18.374 7.469 80 HA ILE 11 HA ILE 11 11.395 16.514 5.898 81 HB ILE 11 HB ILE 11 11.568 16.629 8.907 82 HG12 ILE 11 1HG1 ILE 11 12.712 14.259 8.229 83 HG13 ILE 11 2HG1 ILE 11 13.266 15.276 6.903 84 HG21 ILE 11 1HG2 ILE 11 9.861 15.212 8.891 85 HG22 ILE 11 2HG2 ILE 11 9.744 15.412 7.144 86 HG23 ILE 11 3HG2 ILE 11 10.736 14.120 7.819 87 HD11 ILE 11 3HD1 ILE 11 14.563 15.019 9.231 88 HD12 ILE 11 1HD1 ILE 11 14.649 16.460 8.220 89 HD13 ILE 11 2HD1 ILE 11 13.552 16.415 9.600 90 H ALA 12 H ALA 12 9.318 17.016 5.570 91 HA ALA 12 HA ALA 12 8.192 19.280 7.087 92 HB1 ALA 12 1HB ALA 12 6.749 19.540 4.948 93 HB2 ALA 12 2HB ALA 12 8.406 20.143 4.952 94 HB3 ALA 12 3HB ALA 12 8.031 18.603 4.179 95 H LYS 13 H LYS 13 6.628 18.655 8.410 96 HA LYS 13 HA LYS 13 4.686 16.666 7.476 97 HB2 LYS 13 1HB LYS 13 4.740 15.445 9.530 98 HB3 LYS 13 2HB LYS 13 6.396 15.572 8.953 99 HG2 LYS 13 1HG LYS 13 6.874 17.308 10.543 100 HG3 LYS 13 2HG LYS 13 5.184 17.358 11.051 101 HD2 LYS 13 1HD LYS 13 6.180 16.070 12.706 102 HD3 LYS 13 2HD LYS 13 5.529 14.852 11.607 103 HE2 LYS 13 1HE LYS 13 7.576 14.139 10.983 104 HE3 LYS 13 2HE LYS 13 8.261 15.763 11.003 105 HZ1 LYS 13 3HZ LYS 13 8.954 13.967 12.764 106 HZ2 LYS 13 1HZ LYS 13 7.574 14.527 13.566 107 HZ3 LYS 13 2HZ LYS 13 8.825 15.600 13.187 108 H LYS 14 H LYS 14 2.604 16.887 8.324 109 HA LYS 14 HA LYS 14 2.078 19.513 9.514 110 HB2 LYS 14 1HB LYS 14 0.941 18.401 7.352 111 HB3 LYS 14 2HB LYS 14 -0.152 17.786 8.585 112 HG2 LYS 14 1HG LYS 14 -0.853 19.924 9.201 113 HG3 LYS 14 2HG LYS 14 0.530 20.699 8.424 114 HD2 LYS 14 1HD LYS 14 -0.393 20.559 6.334 115 HD3 LYS 14 2HD LYS 14 -1.324 19.111 6.725 116 HE2 LYS 14 1HE LYS 14 -2.607 20.735 8.325 117 HE3 LYS 14 2HE LYS 14 -1.951 21.981 7.264 118 HZ1 LYS 14 3HZ LYS 14 -3.412 21.470 5.690 119 HZ2 LYS 14 1HZ LYS 14 -4.221 20.524 6.836 120 HZ3 LYS 14 2HZ LYS 14 -3.091 19.813 5.798 121 H ILE 15 H ILE 15 1.712 19.624 11.621 122 HA ILE 15 HA ILE 15 0.569 17.270 12.977 123 HB ILE 15 HB ILE 15 1.664 18.117 15.046 124 HG12 ILE 15 1HG1 ILE 15 3.551 19.771 13.479 125 HG13 ILE 15 2HG1 ILE 15 1.949 20.461 13.716 126 HG21 ILE 15 1HG2 ILE 15 3.042 16.482 14.408 127 HG22 ILE 15 2HG2 ILE 15 2.965 16.966 12.715 128 HG23 ILE 15 3HG2 ILE 15 4.099 17.760 13.807 129 HD11 ILE 15 3HD1 ILE 15 2.231 20.687 15.967 130 HD12 ILE 15 1HD1 ILE 15 3.378 19.351 16.071 131 HD13 ILE 15 2HD1 ILE 15 3.891 20.906 15.415 132 H ASN 16 H ASN 16 -0.720 17.763 14.925 133 HA ASN 16 HA ASN 16 -2.117 20.347 14.702 134 HB2 ASN 16 1HB ASN 16 -4.216 19.339 14.908 135 HB3 ASN 16 2HB ASN 16 -3.354 18.242 13.833 136 HD21 ASN 16 2HD2 ASN 16 -2.194 16.433 14.974 137 HD22 ASN 16 1HD2 ASN 16 -3.038 15.667 16.273 138 H SER 17 H SER 17 0.050 19.206 16.497 139 HA SER 17 HA SER 17 -1.198 20.043 19.011 140 HG SER 17 HG SER 17 0.030 17.130 17.520 141 HB2 SER 17 1HB SER 17 0.192 18.194 20.147 142 HB3 SER 17 2HB SER 17 -1.283 17.707 19.312 143 H VAL 18 H VAL 18 0.025 21.419 20.147 144 HA VAL 18 HA VAL 18 2.505 22.335 19.055 145 HB VAL 18 HB VAL 18 2.534 23.945 20.856 146 HG11 VAL 18 1HG1 VAL 18 0.373 25.033 20.493 147 HG12 VAL 18 2HG1 VAL 18 1.028 24.386 18.987 148 HG13 VAL 18 3HG1 VAL 18 -0.271 23.534 19.824 149 HG21 VAL 18 3HG2 VAL 18 0.454 22.153 22.067 150 HG22 VAL 18 1HG2 VAL 18 1.953 22.752 22.779 151 HG23 VAL 18 2HG2 VAL 18 0.593 23.849 22.533 152 H ASP 19 H ASP 19 1.625 19.959 21.351 153 HA ASP 19 HA ASP 19 3.816 19.968 23.081 154 HB2 ASP 19 1HB ASP 19 1.672 18.579 23.229 155 HB3 ASP 19 2HB ASP 19 2.454 17.455 22.121 156 H ASP 20 H ASP 20 3.424 18.567 19.875 157 HA ASP 20 HA ASP 20 6.021 17.302 19.936 158 HB2 ASP 20 1HB ASP 20 3.805 17.513 17.932 159 HB3 ASP 20 2HB ASP 20 5.408 17.017 17.398 160 H ILE 21 H ILE 21 6.625 19.772 20.524 161 HA ILE 21 HA ILE 21 7.755 20.867 18.038 162 HB ILE 21 HB ILE 21 6.578 22.467 20.312 163 HG12 ILE 21 1HG1 ILE 21 5.801 22.306 17.392 164 HG13 ILE 21 2HG1 ILE 21 4.938 21.524 18.712 165 HG21 ILE 21 1HG2 ILE 21 8.640 23.125 18.425 166 HG22 ILE 21 2HG2 ILE 21 7.227 24.146 18.168 167 HG23 ILE 21 3HG2 ILE 21 7.993 24.085 19.755 168 HD11 ILE 21 3HD1 ILE 21 3.787 23.526 18.093 169 HD12 ILE 21 1HD1 ILE 21 4.509 23.757 19.685 170 HD13 ILE 21 2HD1 ILE 21 5.261 24.479 18.262 171 H ILE 22 H ILE 22 9.892 20.782 18.120 172 HA ILE 22 HA ILE 22 11.219 20.910 20.742 173 HB ILE 22 HB ILE 22 13.197 19.944 19.509 174 HG12 ILE 22 1HG1 ILE 22 11.133 19.343 17.383 175 HG13 ILE 22 2HG1 ILE 22 12.358 20.598 17.237 176 HG21 ILE 22 1HG2 ILE 22 11.440 17.764 19.105 177 HG22 ILE 22 2HG2 ILE 22 12.485 18.087 20.488 178 HG23 ILE 22 3HG2 ILE 22 10.830 18.696 20.472 179 HD11 ILE 22 3HD1 ILE 22 12.573 17.709 16.896 180 HD12 ILE 22 1HD1 ILE 22 13.554 19.012 16.227 181 HD13 ILE 22 2HD1 ILE 22 13.867 18.422 17.860 182 H ILE 23 H ILE 23 13.538 21.812 20.555 183 HA ILE 23 HA ILE 23 13.341 24.530 19.773 184 HB ILE 23 HB ILE 23 15.798 22.950 20.541 185 HG12 ILE 23 1HG1 ILE 23 15.250 24.507 22.676 186 HG13 ILE 23 2HG1 ILE 23 13.616 24.240 22.079 187 HG21 ILE 23 1HG2 ILE 23 16.614 24.865 19.499 188 HG22 ILE 23 2HG2 ILE 23 15.308 25.874 20.117 189 HG23 ILE 23 3HG2 ILE 23 16.577 25.310 21.205 190 HD11 ILE 23 3HD1 ILE 23 13.683 21.989 22.511 191 HD12 ILE 23 1HD1 ILE 23 15.443 21.915 22.431 192 HD13 ILE 23 2HD1 ILE 23 14.652 22.633 23.835 193 H LYS 24 H LYS 24 14.331 21.684 18.130 194 HA LYS 24 HA LYS 24 15.782 23.181 16.083 195 HB2 LYS 24 1HB LYS 24 15.315 20.210 16.399 196 HB3 LYS 24 2HB LYS 24 16.294 20.950 15.139 197 HG2 LYS 24 1HG LYS 24 17.917 20.369 16.627 198 HG3 LYS 24 2HG LYS 24 17.555 22.003 17.190 199 HD2 LYS 24 1HD LYS 24 16.382 21.241 19.042 200 HD3 LYS 24 2HD LYS 24 16.085 19.656 18.326 201 HE2 LYS 24 1HE LYS 24 18.877 20.539 18.944 202 HE3 LYS 24 2HE LYS 24 17.844 19.900 20.222 203 HZ1 LYS 24 3HZ LYS 24 19.143 18.135 19.285 204 HZ2 LYS 24 1HZ LYS 24 18.621 18.506 17.719 205 HZ3 LYS 24 2HZ LYS 24 17.525 17.897 18.854 206 H CYS 25 H CYS 25 12.668 22.693 16.719 207 HA CYS 25 HA CYS 25 11.810 21.932 14.043 208 HG CYS 25 HG CYS 25 8.113 20.984 15.156 209 HB2 CYS 25 1HB CYS 25 10.721 21.467 16.499 210 HB3 CYS 25 2HB CYS 25 9.783 22.859 15.973 211 H GLN 26 H GLN 26 10.237 23.261 12.877 212 HA GLN 26 HA GLN 26 10.392 26.126 13.474 213 HB2 GLN 26 1HB GLN 26 11.013 24.889 10.786 214 HB3 GLN 26 2HB GLN 26 10.845 26.613 11.088 215 HG2 GLN 26 1HG GLN 26 12.755 26.550 12.593 216 HG3 GLN 26 2HG GLN 26 12.915 24.815 12.327 217 HE21 GLN 26 2HE2 GLN 26 12.773 27.864 10.526 218 HE22 GLN 26 1HE2 GLN 26 13.955 27.423 9.347 219 H CYS 27 H CYS 27 8.488 27.118 13.282 220 HA CYS 27 HA CYS 27 6.422 25.893 11.587 221 HG CYS 27 HG CYS 27 5.339 28.642 14.433 222 HB2 CYS 27 1HB CYS 27 4.742 26.202 13.271 223 HB3 CYS 27 2HB CYS 27 6.080 25.329 14.009 224 H TRP 28 H TRP 28 4.392 27.642 11.905 225 HA TRP 28 HA TRP 28 5.561 30.205 11.035 226 HD1 TRP 28 HD1 TRP 28 4.977 27.049 8.909 227 HE1 TRP 28 HE1 TRP 28 6.344 27.334 6.747 228 HE3 TRP 28 HE3 TRP 28 4.478 32.100 8.292 229 HZ2 TRP 28 HZ2 TRP 28 7.110 29.423 5.010 230 HZ3 TRP 28 HZ3 TRP 28 5.559 33.164 6.355 231 HH2 TRP 28 HH2 TRP 28 6.848 31.852 4.749 232 HB2 TRP 28 1HB TRP 28 3.133 28.712 10.058 233 HB3 TRP 28 2HB TRP 28 3.343 30.435 9.758 234 H VAL 29 H VAL 29 4.831 32.061 11.938 235 HA VAL 29 HA VAL 29 2.734 31.804 13.995 236 HB VAL 29 HB VAL 29 5.061 33.731 13.939 237 HG11 VAL 29 1HG1 VAL 29 2.581 33.629 15.498 238 HG12 VAL 29 2HG1 VAL 29 4.048 33.805 16.463 239 HG13 VAL 29 3HG1 VAL 29 3.678 34.975 15.195 240 HG21 VAL 29 3HG2 VAL 29 5.925 32.477 15.822 241 HG22 VAL 29 1HG2 VAL 29 4.534 31.394 15.772 242 HG23 VAL 29 2HG2 VAL 29 5.695 31.400 14.444 243 H GLN 30 H GLN 30 1.158 33.379 14.147 244 HA GLN 30 HA GLN 30 0.665 34.866 11.718 245 HB2 GLN 30 1HB GLN 30 -1.064 33.575 13.142 246 HB3 GLN 30 2HB GLN 30 -1.037 34.986 14.192 247 HG2 GLN 30 1HG GLN 30 -1.730 36.399 12.341 248 HG3 GLN 30 2HG GLN 30 -1.718 35.005 11.261 249 HE21 GLN 30 2HE2 GLN 30 -3.501 33.812 11.093 250 HE22 GLN 30 1HE2 GLN 30 -4.904 33.970 12.089 251 H LYS 31 H LYS 31 1.336 36.871 11.398 252 HA LYS 31 HA LYS 31 1.388 38.751 13.638 253 HB2 LYS 31 1HB LYS 31 3.732 37.881 12.014 254 HB3 LYS 31 2HB LYS 31 3.634 39.574 12.481 255 HG2 LYS 31 1HG LYS 31 3.455 37.297 14.437 256 HG3 LYS 31 2HG LYS 31 4.959 38.121 14.021 257 HD2 LYS 31 1HD LYS 31 2.610 39.738 14.897 258 HD3 LYS 31 2HD LYS 31 3.553 38.867 16.109 259 HE2 LYS 31 1HE LYS 31 5.599 39.965 15.022 260 HE3 LYS 31 2HE LYS 31 4.442 41.043 14.241 261 HZ1 LYS 31 3HZ LYS 31 4.905 42.213 16.124 262 HZ2 LYS 31 1HZ LYS 31 5.173 40.837 17.070 263 HZ3 LYS 31 2HZ LYS 31 3.593 41.305 16.687 264 H ASN 32 H ASN 32 0.593 40.690 13.104 265 HA ASN 32 HA ASN 32 -0.428 42.311 11.872 266 HB2 ASN 32 1HB ASN 32 1.715 41.732 9.821 267 HB3 ASN 32 2HB ASN 32 0.863 43.251 10.080 268 HD21 ASN 32 2HD2 ASN 32 3.746 41.994 10.381 269 HD22 ASN 32 1HD2 ASN 32 4.313 42.761 11.821 270 H ASP 33 H ASP 33 -1.827 40.062 11.647 271 HA ASP 33 HA ASP 33 -3.306 38.884 10.376 272 HB2 ASP 33 1HB ASP 33 -3.087 41.354 8.641 273 HB3 ASP 33 2HB ASP 33 -4.355 40.139 8.516 274 H GLU 34 H GLU 34 -0.440 38.495 9.867 275 HA GLU 34 HA GLU 34 -0.703 37.220 7.245 276 HB2 GLU 34 1HB GLU 34 1.546 39.047 8.087 277 HB3 GLU 34 2HB GLU 34 1.686 37.912 6.752 278 HG2 GLU 34 1HG GLU 34 -0.523 39.118 5.959 279 HG3 GLU 34 2HG GLU 34 0.120 40.422 6.956 280 H GLU 35 H GLU 35 1.435 35.849 6.888 281 HA GLU 35 HA GLU 35 1.945 34.412 9.410 282 HB2 GLU 35 1HB GLU 35 0.741 33.438 7.099 283 HB3 GLU 35 2HB GLU 35 2.392 32.842 7.003 284 HG2 GLU 35 1HG GLU 35 1.551 31.145 8.207 285 HG3 GLU 35 2HG GLU 35 1.852 32.239 9.556 286 H ARG 36 H ARG 36 4.002 34.142 10.017 287 HA ARG 36 HA ARG 36 6.123 34.608 8.032 288 HE ARG 36 HE ARG 36 5.764 39.445 8.212 289 HB2 ARG 36 1HB ARG 36 5.767 35.869 10.730 290 HB3 ARG 36 2HB ARG 36 7.382 35.640 10.073 291 HG2 ARG 36 1HG ARG 36 7.070 37.174 8.397 292 HG3 ARG 36 2HG ARG 36 5.317 36.971 8.392 293 HD2 ARG 36 1HD ARG 36 5.150 38.155 10.505 294 HD3 ARG 36 2HD ARG 36 6.905 38.297 10.585 295 HH11 ARG 36 1HH1 ARG 36 6.574 39.997 11.553 296 HH12 ARG 36 2HH1 ARG 36 6.680 41.717 11.379 297 HH21 ARG 36 1HH2 ARG 36 5.902 41.709 7.970 298 HH22 ARG 36 2HH2 ARG 36 6.297 42.690 9.340 299 H LEU 37 H LEU 37 7.745 33.165 8.057 300 HA LEU 37 HA LEU 37 7.520 30.787 9.554 301 HG LEU 37 HG LEU 37 9.862 29.503 9.514 302 HB2 LEU 37 1HB LEU 37 8.616 31.039 7.321 303 HB3 LEU 37 2HB LEU 37 9.971 31.816 8.137 304 HD11 LEU 37 1HD1 LEU 37 8.874 28.880 6.738 305 HD12 LEU 37 2HD1 LEU 37 8.064 28.534 8.265 306 HD13 LEU 37 3HD1 LEU 37 9.553 27.687 7.846 307 HD21 LEU 37 3HD2 LEU 37 11.276 29.393 6.908 308 HD22 LEU 37 1HD2 LEU 37 11.866 29.054 8.535 309 HD23 LEU 37 2HD2 LEU 37 11.668 30.723 7.999 310 H ALA 38 H ALA 38 8.019 30.438 11.605 311 HA ALA 38 HA ALA 38 10.188 32.024 12.818 312 HB1 ALA 38 1HB ALA 38 8.086 30.960 14.598 313 HB2 ALA 38 2HB ALA 38 8.958 32.493 14.656 314 HB3 ALA 38 3HB ALA 38 7.615 32.283 13.531 315 H GLU 39 H GLU 39 11.734 30.942 13.915 316 HA GLU 39 HA GLU 39 11.546 28.017 13.926 317 HB2 GLU 39 1HB GLU 39 13.495 28.808 12.794 318 HB3 GLU 39 2HB GLU 39 13.891 29.905 14.109 319 HG2 GLU 39 1HG GLU 39 14.559 28.143 15.518 320 HG3 GLU 39 2HG GLU 39 13.835 26.927 14.466 321 H ILE 40 H ILE 40 11.724 26.811 15.760 322 HA ILE 40 HA ILE 40 11.060 28.054 18.232 323 HB ILE 40 HB ILE 40 12.004 25.217 17.823 324 HG12 ILE 40 1HG1 ILE 40 10.120 25.795 16.314 325 HG13 ILE 40 2HG1 ILE 40 9.671 24.603 17.530 326 HG21 ILE 40 1HG2 ILE 40 11.963 25.947 20.146 327 HG22 ILE 40 2HG2 ILE 40 10.291 26.475 19.962 328 HG23 ILE 40 3HG2 ILE 40 10.693 24.763 19.840 329 HD11 ILE 40 3HD1 ILE 40 9.041 27.544 17.620 330 HD12 ILE 40 1HD1 ILE 40 7.917 26.247 17.218 331 HD13 ILE 40 2HD1 ILE 40 8.594 26.355 18.843 332 H LEU 41 H LEU 41 12.277 28.389 20.053 333 HA LEU 41 HA LEU 41 15.181 27.968 19.783 334 HG LEU 41 HG LEU 41 14.438 30.526 18.529 335 HB2 LEU 41 1HB LEU 41 13.631 30.307 20.825 336 HB3 LEU 41 2HB LEU 41 15.276 30.003 21.381 337 HD11 LEU 41 1HD1 LEU 41 14.286 32.536 19.824 338 HD12 LEU 41 2HD1 LEU 41 15.751 32.610 18.846 339 HD13 LEU 41 3HD1 LEU 41 15.858 32.233 20.565 340 HD21 LEU 41 3HD2 LEU 41 16.935 29.555 19.761 341 HD22 LEU 41 1HD2 LEU 41 17.108 30.844 18.570 342 HD23 LEU 41 2HD2 LEU 41 16.311 29.334 18.126 343 H SER 42 H SER 42 12.387 27.971 21.899 344 HA SER 42 HA SER 42 13.501 25.974 23.582 345 HG SER 42 HG SER 42 15.485 27.312 25.431 346 HB2 SER 42 1HB SER 42 14.293 28.562 24.256 347 HB3 SER 42 2HB SER 42 12.971 28.208 25.368 348 H ILE 43 H ILE 43 11.996 25.164 25.111 349 HA ILE 43 HA ILE 43 9.247 26.140 24.687 350 HB ILE 43 HB ILE 43 10.153 23.325 25.302 351 HG12 ILE 43 1HG1 ILE 43 8.634 23.541 22.902 352 HG13 ILE 43 2HG1 ILE 43 9.909 24.753 22.842 353 HG21 ILE 43 1HG2 ILE 43 7.664 22.899 24.719 354 HG22 ILE 43 2HG2 ILE 43 8.086 23.474 26.331 355 HG23 ILE 43 3HG2 ILE 43 7.455 24.601 25.131 356 HD11 ILE 43 3HD1 ILE 43 11.436 22.777 23.568 357 HD12 ILE 43 1HD1 ILE 43 10.119 21.785 22.942 358 HD13 ILE 43 2HD1 ILE 43 10.933 22.940 21.886 359 H ASN 44 H ASN 44 8.051 26.673 26.417 360 HA ASN 44 HA ASN 44 9.101 25.993 29.084 361 HB2 ASN 44 1HB ASN 44 9.507 28.378 28.508 362 HB3 ASN 44 2HB ASN 44 7.772 28.597 28.304 363 HD21 ASN 44 2HD2 ASN 44 8.143 30.262 29.946 364 HD22 ASN 44 1HD2 ASN 44 8.101 29.802 31.610 365 H THR 45 H THR 45 7.727 24.446 29.743 366 HA THR 45 HA THR 45 4.849 24.820 29.327 367 HB THR 45 HB THR 45 4.640 22.462 30.083 368 HG1 THR 45 HG1 THR 45 6.374 21.999 31.299 369 HG21 THR 45 3HG2 THR 45 5.383 23.379 27.643 370 HG22 THR 45 1HG2 THR 45 5.010 21.692 27.992 371 HG23 THR 45 2HG2 THR 45 6.686 22.239 27.977 372 H ARG 46 H ARG 46 5.238 26.617 31.026 373 HA ARG 46 HA ARG 46 4.861 25.456 33.709 374 HE ARG 46 HE ARG 46 9.095 26.826 36.592 375 HB2 ARG 46 1HB ARG 46 6.364 27.860 32.785 376 HB3 ARG 46 2HB ARG 46 5.575 27.929 34.355 377 HG2 ARG 46 1HG ARG 46 6.800 25.887 35.017 378 HG3 ARG 46 2HG ARG 46 7.648 25.933 33.470 379 HD2 ARG 46 1HD ARG 46 8.673 28.019 34.012 380 HD3 ARG 46 2HD ARG 46 7.665 28.204 35.447 381 HH11 ARG 46 1HH1 ARG 46 9.731 26.568 33.179 382 HH12 ARG 46 2HH1 ARG 46 11.171 25.627 33.385 383 HH21 ARG 46 1HH2 ARG 46 10.989 25.587 36.877 384 HH22 ARG 46 2HH2 ARG 46 11.885 25.069 35.489 385 H LYS 47 H LYS 47 3.087 26.488 31.322 386 HA LYS 47 HA LYS 47 1.119 27.752 33.083 387 HB2 LYS 47 1HB LYS 47 2.533 29.356 31.488 388 HB3 LYS 47 2HB LYS 47 1.334 28.827 30.315 389 HG2 LYS 47 1HG LYS 47 -0.387 29.885 31.387 390 HG3 LYS 47 2HG LYS 47 0.401 29.805 32.965 391 HD2 LYS 47 1HD LYS 47 2.138 31.411 31.849 392 HD3 LYS 47 2HD LYS 47 0.816 31.742 30.728 393 HE2 LYS 47 1HE LYS 47 0.430 31.876 33.701 394 HE3 LYS 47 2HE LYS 47 1.059 33.249 32.791 395 HZ1 LYS 47 3HZ LYS 47 -1.528 32.837 33.213 396 HZ2 LYS 47 1HZ LYS 47 -1.356 32.022 31.741 397 HZ3 LYS 47 2HZ LYS 47 -0.933 33.655 31.857 398 H ALA 48 H ALA 48 -1.031 28.002 31.745 399 HA ALA 48 HA ALA 48 -1.403 25.717 29.951 400 HB1 ALA 48 1HB ALA 48 -3.606 25.310 31.271 401 HB2 ALA 48 2HB ALA 48 -2.087 24.655 31.883 402 HB3 ALA 48 3HB ALA 48 -2.757 26.129 32.582 403 HA PRO 49 HA PRO 49 -1.750 25.500 28.114 404 HB2 PRO 49 1HB PRO 49 -1.151 26.754 25.782 405 HB3 PRO 49 2HB PRO 49 -2.690 25.932 26.062 406 HG2 PRO 49 1HG PRO 49 -2.042 28.849 26.233 407 HG3 PRO 49 2HG PRO 49 -3.459 28.058 25.518 408 HD2 PRO 49 1HD PRO 49 -3.511 29.199 27.974 409 HD3 PRO 49 2HD PRO 49 -4.488 27.774 27.562 410 HA PRO 50 HA PRO 50 2.361 26.805 28.969 411 HB2 PRO 50 1HB PRO 50 3.802 25.402 27.146 412 HB3 PRO 50 2HB PRO 50 3.030 24.649 28.546 413 HG2 PRO 50 1HG PRO 50 2.092 24.776 25.706 414 HG3 PRO 50 2HG PRO 50 2.063 23.407 26.833 415 HD2 PRO 50 1HD PRO 50 -0.126 24.914 26.317 416 HD3 PRO 50 2HD PRO 50 0.163 24.161 27.898 417 H LYS 51 H LYS 51 4.484 27.468 27.712 418 HA LYS 51 HA LYS 51 3.727 29.284 25.518 419 HB2 LYS 51 1HB LYS 51 5.300 29.822 28.006 420 HB3 LYS 51 2HB LYS 51 5.690 30.710 26.538 421 HG2 LYS 51 1HG LYS 51 3.257 31.362 26.429 422 HG3 LYS 51 2HG LYS 51 3.096 30.693 28.055 423 HD2 LYS 51 1HD LYS 51 4.449 32.323 28.997 424 HD3 LYS 51 2HD LYS 51 5.237 32.699 27.463 425 HE2 LYS 51 1HE LYS 51 3.099 33.663 26.659 426 HE3 LYS 51 2HE LYS 51 2.405 33.375 28.254 427 HZ1 LYS 51 3HZ LYS 51 3.248 35.292 28.925 428 HZ2 LYS 51 1HZ LYS 51 3.917 35.566 27.395 429 HZ3 LYS 51 2HZ LYS 51 4.816 34.759 28.579 430 H PHE 52 H PHE 52 5.473 29.863 24.066 431 HA PHE 52 HA PHE 52 7.789 28.073 24.113 432 HD1 PHE 52 HD2 PHE 52 4.048 27.690 23.099 433 HD2 PHE 52 HD1 PHE 52 7.490 25.263 22.486 434 HE1 PHE 52 HE2 PHE 52 2.767 25.706 23.787 435 HE2 PHE 52 HE1 PHE 52 6.214 23.274 23.172 436 HZ PHE 52 HZ PHE 52 3.850 23.494 23.825 437 HB2 PHE 52 1HB PHE 52 5.998 28.428 21.700 438 HB3 PHE 52 2HB PHE 52 7.487 27.490 21.752 439 H TYR 53 H TYR 53 9.607 28.845 23.016 440 HA TYR 53 HA TYR 53 9.532 31.726 22.483 441 HD1 TYR 53 HD2 TYR 53 10.278 33.246 23.664 442 HD2 TYR 53 HD1 TYR 53 13.959 31.428 22.548 443 HE1 TYR 53 HE2 TYR 53 11.362 35.453 23.668 444 HE2 TYR 53 HE1 TYR 53 15.054 33.630 22.550 445 HH TYR 53 HH TYR 53 13.218 36.594 23.026 446 HB2 TYR 53 1HB TYR 53 11.181 30.549 24.129 447 HB3 TYR 53 2HB TYR 53 12.058 30.116 22.665 448 H VAL 54 H VAL 54 9.420 32.369 20.447 449 HA VAL 54 HA VAL 54 10.599 30.657 18.356 450 HB VAL 54 HB VAL 54 8.968 31.792 16.798 451 HG11 VAL 54 1HG1 VAL 54 7.346 30.359 18.824 452 HG12 VAL 54 2HG1 VAL 54 7.463 30.110 17.081 453 HG13 VAL 54 3HG1 VAL 54 8.735 29.512 18.146 454 HG21 VAL 54 3HG2 VAL 54 7.801 32.715 19.419 455 HG22 VAL 54 1HG2 VAL 54 8.375 33.719 18.088 456 HG23 VAL 54 2HG2 VAL 54 6.927 32.732 17.888 457 H HIS 55 H HIS 55 11.560 31.722 16.540 458 HA HIS 55 HA HIS 55 12.288 34.533 16.990 459 HD1 HIS 55 HD1 HIS 55 14.091 35.921 15.839 460 HD2 HIS 55 HD2 HIS 55 16.428 32.556 15.146 461 HE1 HIS 55 HE1 HIS 55 15.921 36.680 14.290 462 HB2 HIS 55 1HB HIS 55 14.244 33.494 17.730 463 HB3 HIS 55 2HB HIS 55 14.118 32.196 16.547 464 H TYR 56 H TYR 56 12.001 35.770 15.253 465 HA TYR 56 HA TYR 56 11.061 34.628 12.804 466 HD1 TYR 56 HD1 TYR 56 8.620 36.156 12.130 467 HD2 TYR 56 HD2 TYR 56 10.605 37.578 15.614 468 HE1 TYR 56 HE1 TYR 56 6.456 36.325 13.287 469 HE2 TYR 56 HE2 TYR 56 8.447 37.750 16.781 470 HH TYR 56 HH TYR 56 6.208 37.705 16.526 471 HB2 TYR 56 1HB TYR 56 11.756 37.489 13.499 472 HB3 TYR 56 2HB TYR 56 10.929 36.976 12.033 473 H VAL 57 H VAL 57 12.433 33.653 11.463 474 HA VAL 57 HA VAL 57 15.198 34.099 11.323 475 HB VAL 57 HB VAL 57 13.409 32.946 9.177 476 HG11 VAL 57 1HG1 VAL 57 15.400 33.275 8.077 477 HG12 VAL 57 2HG1 VAL 57 16.366 33.083 9.541 478 HG13 VAL 57 3HG1 VAL 57 15.658 31.669 8.759 479 HG21 VAL 57 3HG2 VAL 57 14.570 31.821 11.677 480 HG22 VAL 57 1HG2 VAL 57 13.002 31.525 10.926 481 HG23 VAL 57 2HG2 VAL 57 14.455 30.783 10.256 482 H ASN 58 H ASN 58 12.524 35.682 9.764 483 HA ASN 58 HA ASN 58 14.028 36.909 7.674 484 HB2 ASN 58 1HB ASN 58 11.373 37.747 8.861 485 HB3 ASN 58 2HB ASN 58 12.034 38.283 7.320 486 HD21 ASN 58 2HD2 ASN 58 12.796 36.243 5.974 487 HD22 ASN 58 1HD2 ASN 58 11.571 35.038 5.794 488 H TYR 59 H TYR 59 13.476 37.616 11.008 489 HA TYR 59 HA TYR 59 14.758 40.247 10.670 490 HD1 TYR 59 HD1 TYR 59 13.222 42.400 10.856 491 HD2 TYR 59 HD2 TYR 59 10.822 39.035 11.867 492 HE1 TYR 59 HE1 TYR 59 11.350 43.360 9.582 493 HE2 TYR 59 HE2 TYR 59 8.944 39.985 10.595 494 HH TYR 59 HH TYR 59 9.090 43.217 9.242 495 HB2 TYR 59 1HB TYR 59 12.915 39.281 12.866 496 HB3 TYR 59 2HB TYR 59 13.723 40.845 12.850 497 H ASN 60 H ASN 60 15.656 40.819 13.105 498 HA ASN 60 HA ASN 60 17.879 39.006 13.408 499 HB2 ASN 60 1HB ASN 60 17.200 41.530 14.935 500 HB3 ASN 60 2HB ASN 60 18.732 40.665 15.007 501 HD21 ASN 60 2HD2 ASN 60 16.939 43.044 13.438 502 HD22 ASN 60 1HD2 ASN 60 18.021 43.348 12.126 503 H LYS 61 H LYS 61 18.600 38.570 15.768 504 HA LYS 61 HA LYS 61 16.685 36.848 16.937 505 HB2 LYS 61 1HB LYS 61 19.331 37.883 17.963 506 HB3 LYS 61 2HB LYS 61 18.376 36.659 18.790 507 HG2 LYS 61 1HG LYS 61 18.498 35.389 16.540 508 HG3 LYS 61 2HG LYS 61 19.849 36.472 16.197 509 HD2 LYS 61 1HD LYS 61 21.176 35.551 17.820 510 HD3 LYS 61 2HD LYS 61 19.804 35.071 18.821 511 HE2 LYS 61 1HE LYS 61 20.694 33.061 17.991 512 HE3 LYS 61 2HE LYS 61 19.271 33.377 17.001 513 HZ1 LYS 61 3HZ LYS 61 21.247 32.669 15.720 514 HZ2 LYS 61 1HZ LYS 61 22.041 34.084 16.203 515 HZ3 LYS 61 2HZ LYS 61 20.651 34.179 15.244 516 H ARG 62 H ARG 62 17.125 40.184 17.178 517 HA ARG 62 HA ARG 62 16.177 40.483 19.883 518 HE ARG 62 HE ARG 62 16.959 45.104 18.324 519 HB2 ARG 62 1HB ARG 62 16.243 42.861 19.453 520 HB3 ARG 62 2HB ARG 62 17.711 42.121 18.828 521 HG2 ARG 62 1HG ARG 62 17.311 43.178 16.923 522 HG3 ARG 62 2HG ARG 62 15.954 42.075 16.683 523 HD2 ARG 62 1HD ARG 62 15.140 44.308 16.440 524 HD3 ARG 62 2HD ARG 62 14.527 43.668 17.964 525 HH11 ARG 62 1HH1 ARG 62 13.532 45.491 17.854 526 HH12 ARG 62 2HH1 ARG 62 13.464 47.029 18.649 527 HH21 ARG 62 1HH2 ARG 62 16.883 47.128 19.373 528 HH22 ARG 62 2HH2 ARG 62 15.371 47.960 19.511 529 H LEU 63 H LEU 63 14.680 39.515 17.155 530 HA LEU 63 HA LEU 63 12.191 40.978 17.647 531 HG LEU 63 HG LEU 63 11.712 41.027 14.051 532 HB2 LEU 63 1HB LEU 63 13.451 39.826 15.336 533 HB3 LEU 63 2HB LEU 63 11.833 39.156 15.543 534 HD11 LEU 63 1HD1 LEU 63 9.947 42.148 15.020 535 HD12 LEU 63 2HD1 LEU 63 10.701 42.181 16.613 536 HD13 LEU 63 3HD1 LEU 63 10.017 40.679 15.993 537 HD21 LEU 63 3HD2 LEU 63 12.457 43.131 15.905 538 HD22 LEU 63 1HD2 LEU 63 12.942 42.875 14.229 539 HD23 LEU 63 2HD2 LEU 63 13.806 42.058 15.531 540 H ASP 64 H ASP 64 13.676 37.901 18.095 541 HA ASP 64 HA ASP 64 11.535 36.162 18.194 542 HB2 ASP 64 1HB ASP 64 12.870 34.808 19.728 543 HB3 ASP 64 2HB ASP 64 13.885 35.466 18.449 544 H GLU 65 H GLU 65 10.456 35.230 20.114 545 HA GLU 65 HA GLU 65 10.261 36.673 22.543 546 HB2 GLU 65 1HB GLU 65 7.943 37.507 22.273 547 HB3 GLU 65 2HB GLU 65 9.091 38.325 21.223 548 HG2 GLU 65 1HG GLU 65 8.296 37.244 19.312 549 HG3 GLU 65 2HG GLU 65 7.463 36.007 20.252 550 H TRP 66 H TRP 66 8.071 35.974 23.691 551 HA TRP 66 HA TRP 66 7.939 33.064 23.359 552 HD1 TRP 66 HD1 TRP 66 9.581 35.895 25.772 553 HE1 TRP 66 HE1 TRP 66 11.782 34.939 26.701 554 HE3 TRP 66 HE3 TRP 66 8.306 30.947 25.948 555 HZ2 TRP 66 HZ2 TRP 66 12.839 32.420 27.414 556 HZ3 TRP 66 HZ3 TRP 66 9.970 29.329 26.766 557 HH2 TRP 66 HH2 TRP 66 12.189 30.052 27.483 558 HB2 TRP 66 1HB TRP 66 7.086 34.815 25.676 559 HB3 TRP 66 2HB TRP 66 6.988 33.056 25.642 560 H ILE 67 H ILE 67 6.371 32.514 21.972 561 HA ILE 67 HA ILE 67 3.800 33.919 22.094 562 HB ILE 67 HB ILE 67 3.281 32.811 19.964 563 HG12 ILE 67 1HG1 ILE 67 6.119 31.786 19.973 564 HG13 ILE 67 2HG1 ILE 67 4.754 30.797 20.481 565 HG21 ILE 67 1HG2 ILE 67 5.790 34.424 20.217 566 HG22 ILE 67 2HG2 ILE 67 5.214 33.893 18.637 567 HG23 ILE 67 3HG2 ILE 67 4.197 34.920 19.646 568 HD11 ILE 67 3HD1 ILE 67 5.430 30.391 18.156 569 HD12 ILE 67 1HD1 ILE 67 3.768 30.966 18.292 570 HD13 ILE 67 2HD1 ILE 67 5.043 32.068 17.770 571 H THR 68 H THR 68 1.817 32.670 22.011 572 HA THR 68 HA THR 68 2.057 30.181 23.555 573 HB THR 68 HB THR 68 -0.517 30.658 23.844 574 HG1 THR 68 HG1 THR 68 -1.057 32.495 22.948 575 HG21 THR 68 3HG2 THR 68 0.064 32.165 25.807 576 HG22 THR 68 1HG2 THR 68 1.735 32.077 25.252 577 HG23 THR 68 2HG2 THR 68 0.890 30.609 25.745 578 H THR 69 H THR 69 0.008 28.728 23.174 579 HA THR 69 HA THR 69 0.242 27.556 20.669 580 HB THR 69 HB THR 69 -1.668 26.209 21.211 581 HG1 THR 69 HG1 THR 69 -3.302 27.192 22.114 582 HG21 THR 69 3HG2 THR 69 -1.049 25.349 23.358 583 HG22 THR 69 1HG2 THR 69 -0.325 26.886 23.827 584 HG23 THR 69 2HG2 THR 69 0.422 25.908 22.564 585 H ASP 70 H ASP 70 -2.146 29.893 21.841 586 HA ASP 70 HA ASP 70 -3.746 29.898 19.508 587 HB2 ASP 70 1HB ASP 70 -3.415 31.774 21.828 588 HB3 ASP 70 2HB ASP 70 -4.404 32.239 20.447 589 H ARG 71 H ARG 71 -0.648 31.108 20.104 590 HA ARG 71 HA ARG 71 -0.844 33.128 17.990 591 HE ARG 71 HE ARG 71 -0.562 36.586 21.073 592 HB2 ARG 71 1HB ARG 71 1.303 32.530 20.026 593 HB3 ARG 71 2HB ARG 71 1.504 33.698 18.727 594 HG2 ARG 71 1HG ARG 71 -0.711 34.702 19.700 595 HG3 ARG 71 2HG ARG 71 -0.212 33.836 21.154 596 HD2 ARG 71 1HD ARG 71 1.788 35.061 21.325 597 HD3 ARG 71 2HD ARG 71 1.655 35.663 19.673 598 HH11 ARG 71 1HH1 ARG 71 2.899 36.954 21.142 599 HH12 ARG 71 2HH1 ARG 71 2.846 38.562 21.785 600 HH21 ARG 71 1HH2 ARG 71 -0.645 38.702 21.920 601 HH22 ARG 71 2HH2 ARG 71 0.830 39.555 22.228 602 H ILE 72 H ILE 72 -0.294 29.921 18.194 603 HA ILE 72 HA ILE 72 1.855 29.870 16.201 604 HB ILE 72 HB ILE 72 0.594 27.606 17.753 605 HG12 ILE 72 1HG1 ILE 72 3.431 28.563 17.998 606 HG13 ILE 72 2HG1 ILE 72 2.144 29.350 18.904 607 HG21 ILE 72 1HG2 ILE 72 1.309 26.704 15.692 608 HG22 ILE 72 2HG2 ILE 72 2.795 27.652 15.707 609 HG23 ILE 72 3HG2 ILE 72 2.583 26.328 16.852 610 HD11 ILE 72 3HD1 ILE 72 1.657 26.764 19.496 611 HD12 ILE 72 1HD1 ILE 72 3.409 26.734 19.297 612 HD13 ILE 72 2HD1 ILE 72 2.672 27.834 20.463 613 H ASN 73 H ASN 73 1.598 28.986 14.176 614 HA ASN 73 HA ASN 73 -1.179 28.696 13.286 615 HB2 ASN 73 1HB ASN 73 0.681 30.257 12.217 616 HB3 ASN 73 2HB ASN 73 1.106 28.775 11.366 617 HD21 ASN 73 2HD2 ASN 73 0.105 28.425 9.526 618 HD22 ASN 73 1HD2 ASN 73 -1.403 29.113 9.040 619 H LEU 74 H LEU 74 -1.846 26.645 13.469 620 HA LEU 74 HA LEU 74 -0.018 24.460 12.826 621 HG LEU 74 HG LEU 74 -0.935 25.169 15.576 622 HB2 LEU 74 1HB LEU 74 -2.784 24.488 14.020 623 HB3 LEU 74 2HB LEU 74 -1.868 23.021 13.678 624 HD11 LEU 74 1HD1 LEU 74 -2.075 24.250 17.273 625 HD12 LEU 74 2HD1 LEU 74 -1.855 22.608 16.668 626 HD13 LEU 74 3HD1 LEU 74 -3.130 23.629 16.003 627 HD21 LEU 74 3HD2 LEU 74 0.296 22.867 14.425 628 HD22 LEU 74 1HD2 LEU 74 0.093 22.606 16.158 629 HD23 LEU 74 2HD2 LEU 74 0.964 24.025 15.576 630 H ASP 75 H ASP 75 -1.323 26.319 10.835 631 HA ASP 75 HA ASP 75 -2.923 24.399 9.303 632 HB2 ASP 75 1HB ASP 75 -3.569 26.900 9.757 633 HB3 ASP 75 2HB ASP 75 -2.454 27.227 8.433 634 H LYS 76 H LYS 76 0.158 25.947 9.385 635 HA LYS 76 HA LYS 76 0.766 25.098 6.646 636 HB2 LYS 76 1HB LYS 76 1.904 27.107 8.517 637 HB3 LYS 76 2HB LYS 76 3.017 26.339 7.394 638 HG2 LYS 76 1HG LYS 76 2.409 27.894 5.932 639 HG3 LYS 76 2HG LYS 76 0.874 27.034 5.802 640 HD2 LYS 76 1HD LYS 76 -0.193 28.477 7.306 641 HD3 LYS 76 2HD LYS 76 1.336 29.092 7.937 642 HE2 LYS 76 1HE LYS 76 0.439 30.800 6.563 643 HE3 LYS 76 2HE LYS 76 1.755 30.063 5.649 644 HZ1 LYS 76 3HZ LYS 76 -0.961 30.302 4.941 645 HZ2 LYS 76 1HZ LYS 76 -0.558 28.661 5.020 646 HZ3 LYS 76 2HZ LYS 76 0.323 29.701 4.019 647 H GLU 77 H GLU 77 2.412 23.665 6.168 648 HA GLU 77 HA GLU 77 2.857 21.539 7.891 649 HB2 GLU 77 1HB GLU 77 4.632 22.445 5.616 650 HB3 GLU 77 2HB GLU 77 4.625 20.843 6.342 651 HG2 GLU 77 1HG GLU 77 2.081 20.921 5.672 652 HG3 GLU 77 2HG GLU 77 2.666 22.103 4.502 653 H VAL 78 H VAL 78 4.588 20.892 9.176 654 HA VAL 78 HA VAL 78 6.212 23.106 10.207 655 HB VAL 78 HB VAL 78 5.790 20.376 11.427 656 HG11 VAL 78 1HG1 VAL 78 6.624 21.470 13.476 657 HG12 VAL 78 2HG1 VAL 78 7.827 21.439 12.184 658 HG13 VAL 78 3HG1 VAL 78 6.950 22.928 12.539 659 HG21 VAL 78 3HG2 VAL 78 4.288 21.612 13.010 660 HG22 VAL 78 1HG2 VAL 78 4.359 22.983 11.902 661 HG23 VAL 78 2HG2 VAL 78 3.663 21.453 11.368 662 H LEU 79 H LEU 79 8.446 22.930 10.474 663 HA LEU 79 HA LEU 79 9.708 20.908 8.753 664 HG LEU 79 HG LEU 79 11.286 21.721 7.210 665 HB2 LEU 79 1HB LEU 79 10.070 23.729 9.082 666 HB3 LEU 79 2HB LEU 79 11.573 22.895 9.471 667 HD11 LEU 79 1HD1 LEU 79 9.171 22.135 6.451 668 HD12 LEU 79 2HD1 LEU 79 10.051 23.429 5.639 669 HD13 LEU 79 3HD1 LEU 79 9.134 23.773 7.106 670 HD21 LEU 79 3HD2 LEU 79 12.237 24.400 7.871 671 HD22 LEU 79 1HD2 LEU 79 11.887 24.178 6.157 672 HD23 LEU 79 2HD2 LEU 79 13.026 23.105 6.970 673 H TYR 80 H TYR 80 11.177 19.509 9.543 674 HA TYR 80 HA TYR 80 11.916 19.786 12.383 675 HD1 TYR 80 HD1 TYR 80 8.786 18.217 11.179 676 HD2 TYR 80 HD2 TYR 80 11.443 17.389 14.397 677 HE1 TYR 80 HE1 TYR 80 6.883 18.198 12.738 678 HE2 TYR 80 HE2 TYR 80 9.548 17.367 15.965 679 HH TYR 80 HH TYR 80 6.437 18.486 15.102 680 HB2 TYR 80 1HB TYR 80 11.076 17.405 10.779 681 HB3 TYR 80 2HB TYR 80 12.188 17.180 12.124 682 HA PRO 81 HA PRO 81 16.170 19.600 11.330 683 HB2 PRO 81 1HB PRO 81 17.197 18.093 13.341 684 HB3 PRO 81 2HB PRO 81 16.631 19.751 13.576 685 HG2 PRO 81 1HG PRO 81 15.235 17.171 14.170 686 HG3 PRO 81 2HG PRO 81 15.318 18.648 15.147 687 HD2 PRO 81 1HD PRO 81 13.164 18.025 13.629 688 HD3 PRO 81 2HD PRO 81 13.673 19.701 13.923 689 H LYS 82 H LYS 82 17.763 18.332 10.368 690 HA LYS 82 HA LYS 82 17.094 15.494 9.957 691 HB2 LYS 82 1HB LYS 82 16.571 16.966 7.972 692 HB3 LYS 82 2HB LYS 82 18.294 17.295 7.851 693 HG2 LYS 82 1HG LYS 82 18.138 15.586 6.367 694 HG3 LYS 82 2HG LYS 82 18.432 14.655 7.837 695 HD2 LYS 82 1HD LYS 82 16.039 14.275 8.092 696 HD3 LYS 82 2HD LYS 82 15.717 15.252 6.658 697 HE2 LYS 82 1HE LYS 82 17.299 12.683 6.731 698 HE3 LYS 82 2HE LYS 82 15.641 12.857 6.157 699 HZ1 LYS 82 3HZ LYS 82 17.066 12.868 4.278 700 HZ2 LYS 82 1HZ LYS 82 18.088 14.030 4.961 701 HZ3 LYS 82 2HZ LYS 82 16.522 14.456 4.485 702 H LEU 83 H LEU 83 18.629 14.274 10.820 703 HA LEU 83 HA LEU 83 21.434 15.078 10.468 704 HG LEU 83 HG LEU 83 19.975 16.505 12.508 705 HB2 LEU 83 1HB LEU 83 20.230 13.946 12.990 706 HB3 LEU 83 2HB LEU 83 21.943 14.267 12.724 707 HD11 LEU 83 1HD1 LEU 83 20.176 16.947 14.883 708 HD12 LEU 83 2HD1 LEU 83 21.137 15.484 15.096 709 HD13 LEU 83 3HD1 LEU 83 19.444 15.364 14.616 710 HD21 LEU 83 3HD2 LEU 83 22.717 16.278 12.237 711 HD22 LEU 83 1HD2 LEU 83 22.505 16.946 13.855 712 HD23 LEU 83 2HD2 LEU 83 21.807 17.772 12.462 713 H LYS 84 H LYS 84 22.946 13.351 10.412 714 HA LYS 84 HA LYS 84 21.805 10.897 9.359 715 HB2 LYS 84 1HB LYS 84 23.879 12.293 8.486 716 HB3 LYS 84 2HB LYS 84 24.748 11.304 9.652 717 HG2 LYS 84 1HG LYS 84 22.926 9.975 7.708 718 HG3 LYS 84 2HG LYS 84 24.504 10.547 7.161 719 HD2 LYS 84 1HD LYS 84 24.362 8.943 9.666 720 HD3 LYS 84 2HD LYS 84 24.182 8.109 8.121 721 HE2 LYS 84 1HE LYS 84 26.446 10.017 8.579 722 HE3 LYS 84 2HE LYS 84 26.542 8.354 9.157 723 HZ1 LYS 84 3HZ LYS 84 26.994 9.321 6.567 724 HZ2 LYS 84 1HZ LYS 84 25.648 8.298 6.512 725 HZ3 LYS 84 2HZ LYS 84 27.117 7.730 7.129 726 H ALA 85 H ALA 85 21.037 9.699 11.047 727 HA ALA 85 HA ALA 85 22.129 9.397 13.571 728 HB1 ALA 85 1HB ALA 85 19.898 8.612 12.970 729 HB2 ALA 85 2HB ALA 85 20.607 7.332 11.984 730 HB3 ALA 85 3HB ALA 85 20.840 7.330 13.732 731 H THR 86 H THR 86 23.481 7.864 14.533 732 HA THR 86 HA THR 86 25.358 6.574 12.669 733 HB THR 86 HB THR 86 26.975 6.580 14.541 734 HG1 THR 86 HG1 THR 86 25.097 8.226 15.906 735 HG21 THR 86 3HG2 THR 86 27.663 8.733 14.170 736 HG22 THR 86 1HG2 THR 86 26.045 9.402 14.372 737 HG23 THR 86 2HG2 THR 86 26.478 8.578 12.874 738 H ASP 87 H ASP 87 25.889 4.433 12.884 739 HA ASP 87 HA ASP 87 24.135 2.866 14.639 740 HB2 ASP 87 1HB ASP 87 24.877 0.947 13.139 741 HB3 ASP 87 2HB ASP 87 23.879 2.186 12.383 742 H GLU 88 H GLU 88 26.183 4.046 15.982 743 HA GLU 88 HA GLU 88 28.017 1.796 16.490 744 HB2 GLU 88 1HB GLU 88 28.548 4.757 16.481 745 HB3 GLU 88 2HB GLU 88 29.577 3.648 17.376 746 HG2 GLU 88 1HG GLU 88 30.193 2.497 15.375 747 HG3 GLU 88 2HG GLU 88 29.013 3.406 14.432 748 H ASP 89 H ASP 89 26.857 0.883 18.149 749 HA ASP 89 HA ASP 89 26.276 2.580 20.478 750 HB2 ASP 89 1HB ASP 89 25.084 0.047 19.424 751 HB3 ASP 89 2HB ASP 89 24.999 0.373 21.153 Start of MODEL 3 1 H1 GLY -2 H GLY -2 5.593 -6.513 -0.695 2 HA2 GLY -2 1HA GLY -2 6.941 -3.959 -0.912 3 HA3 GLY -2 2HA GLY -2 7.162 -4.770 0.632 4 H SER -1 H SER -1 9.384 -4.274 -0.742 5 HA SER -1 HA SER -1 10.392 -6.909 -1.286 6 HG SER -1 HG SER -1 8.827 -6.491 -4.230 7 HB2 SER -1 1HB SER -1 10.005 -4.923 -3.506 8 HB3 SER -1 2HB SER -1 11.341 -6.073 -3.566 9 H HIS 0 H HIS 0 12.697 -6.978 -1.414 10 HA HIS 0 HA HIS 0 13.963 -4.569 -0.294 11 HD1 HIS 0 HD1 HIS 0 12.703 -8.350 0.983 12 HD2 HIS 0 HD2 HIS 0 14.318 -5.065 2.949 13 HE1 HIS 0 HE1 HIS 0 11.485 -8.215 3.179 14 HB2 HIS 0 1HB HIS 0 14.859 -7.452 -0.089 15 HB3 HIS 0 2HB HIS 0 15.637 -6.071 0.678 16 H MET 1 H MET 1 14.788 -3.465 -1.981 17 HA MET 1 HA MET 1 16.868 -4.781 -3.545 18 HB2 MET 1 1HB MET 1 14.748 -3.117 -4.902 19 HB3 MET 1 2HB MET 1 16.037 -4.041 -5.663 20 HG2 MET 1 1HG MET 1 14.963 -6.107 -4.706 21 HG3 MET 1 2HG MET 1 13.594 -5.087 -4.266 22 HE1 MET 1 3HE MET 1 12.481 -3.534 -5.849 23 HE2 MET 1 1HE MET 1 12.045 -3.979 -7.500 24 HE3 MET 1 2HE MET 1 11.455 -4.939 -6.143 25 H SER 2 H SER 2 18.596 -3.505 -3.881 26 HA SER 2 HA SER 2 18.655 -0.922 -2.634 27 HG SER 2 HG SER 2 20.466 -2.243 -1.477 28 HB2 SER 2 1HB SER 2 20.786 -2.288 -4.296 29 HB3 SER 2 2HB SER 2 21.023 -0.909 -3.223 30 H HIS 3 H HIS 3 18.289 0.986 -3.545 31 HA HIS 3 HA HIS 3 18.455 1.204 -6.477 32 HD1 HIS 3 HD1 HIS 3 16.543 1.433 -2.876 33 HD2 HIS 3 HD2 HIS 3 15.547 4.762 -5.154 34 HE1 HIS 3 HE1 HIS 3 15.646 3.121 -1.242 35 HB2 HIS 3 1HB HIS 3 16.512 2.638 -6.495 36 HB3 HIS 3 2HB HIS 3 16.096 1.136 -5.674 37 H ASP 4 H ASP 4 18.188 3.775 -6.949 38 HA ASP 4 HA ASP 4 20.258 5.075 -5.300 39 HB2 ASP 4 1HB ASP 4 20.813 6.367 -7.397 40 HB3 ASP 4 2HB ASP 4 21.192 4.647 -7.456 41 H GLY 5 H GLY 5 19.367 6.587 -4.059 42 HA2 GLY 5 1HA GLY 5 17.635 8.582 -5.301 43 HA3 GLY 5 2HA GLY 5 16.958 7.682 -3.952 44 H LYS 6 H LYS 6 18.368 10.507 -4.734 45 HA LYS 6 HA LYS 6 19.395 10.874 -2.001 46 HB2 LYS 6 1HB LYS 6 20.627 11.801 -4.591 47 HB3 LYS 6 2HB LYS 6 21.029 12.538 -3.045 48 HG2 LYS 6 1HG LYS 6 21.383 9.624 -3.720 49 HG3 LYS 6 2HG LYS 6 22.661 10.842 -3.739 50 HD2 LYS 6 1HD LYS 6 22.016 11.284 -1.299 51 HD3 LYS 6 2HD LYS 6 21.132 9.759 -1.390 52 HE2 LYS 6 1HE LYS 6 23.204 9.120 -0.556 53 HE3 LYS 6 2HE LYS 6 23.350 8.788 -2.281 54 HZ1 LYS 6 3HZ LYS 6 25.137 10.184 -0.883 55 HZ2 LYS 6 1HZ LYS 6 24.160 11.444 -1.448 56 HZ3 LYS 6 2HZ LYS 6 24.889 10.383 -2.545 57 H GLU 7 H GLU 7 18.245 12.348 -0.956 58 HA GLU 7 HA GLU 7 17.144 14.617 -2.474 59 HB2 GLU 7 1HB GLU 7 15.455 12.811 -1.773 60 HB3 GLU 7 2HB GLU 7 15.719 13.379 -0.130 61 HG2 GLU 7 1HG GLU 7 13.740 14.389 -1.110 62 HG3 GLU 7 2HG GLU 7 14.969 15.602 -0.756 63 H GLU 8 H GLU 8 17.345 16.599 -1.558 64 HA GLU 8 HA GLU 8 19.312 17.105 0.316 65 HB2 GLU 8 1HB GLU 8 17.040 18.688 -0.788 66 HB3 GLU 8 2HB GLU 8 17.888 19.329 0.612 67 HG2 GLU 8 1HG GLU 8 19.618 18.400 -1.569 68 HG3 GLU 8 2HG GLU 8 18.597 19.785 -1.954 69 HA PRO 9 HA PRO 9 17.641 16.448 4.317 70 HB2 PRO 9 1HB PRO 9 18.629 18.553 5.719 71 HB3 PRO 9 2HB PRO 9 19.635 17.206 5.171 72 HG2 PRO 9 1HG PRO 9 19.275 19.918 3.956 73 HG3 PRO 9 2HG PRO 9 20.764 18.983 4.185 74 HD2 PRO 9 1HD PRO 9 19.478 19.116 1.806 75 HD3 PRO 9 2HD PRO 9 20.379 17.677 2.325 76 H GLY 10 H GLY 10 16.330 17.445 6.089 77 HA2 GLY 10 1HA GLY 10 14.863 19.224 6.808 78 HA3 GLY 10 2HA GLY 10 14.647 19.662 5.120 79 H ILE 11 H ILE 11 13.117 18.336 7.666 80 HA ILE 11 HA ILE 11 11.505 16.519 6.000 81 HB ILE 11 HB ILE 11 11.611 16.596 9.015 82 HG12 ILE 11 1HG1 ILE 11 12.764 14.244 8.370 83 HG13 ILE 11 2HG1 ILE 11 13.301 15.218 7.005 84 HG21 ILE 11 1HG2 ILE 11 9.557 15.695 7.817 85 HG22 ILE 11 2HG2 ILE 11 10.594 14.385 7.255 86 HG23 ILE 11 3HG2 ILE 11 10.333 14.623 8.982 87 HD11 ILE 11 3HD1 ILE 11 14.490 16.683 8.375 88 HD12 ILE 11 1HD1 ILE 11 13.652 16.145 9.830 89 HD13 ILE 11 2HD1 ILE 11 14.819 15.084 9.042 90 H ALA 12 H ALA 12 9.523 17.148 5.472 91 HA ALA 12 HA ALA 12 8.287 19.329 7.019 92 HB1 ALA 12 1HB ALA 12 8.620 20.140 4.852 93 HB2 ALA 12 2HB ALA 12 8.132 18.617 4.109 94 HB3 ALA 12 3HB ALA 12 6.926 19.650 4.877 95 H LYS 13 H LYS 13 6.808 18.565 8.380 96 HA LYS 13 HA LYS 13 4.869 16.601 7.368 97 HB2 LYS 13 1HB LYS 13 4.879 15.410 9.464 98 HB3 LYS 13 2HB LYS 13 6.525 15.486 8.851 99 HG2 LYS 13 1HG LYS 13 7.134 17.143 10.428 100 HG3 LYS 13 2HG LYS 13 5.453 17.410 10.896 101 HD2 LYS 13 1HD LYS 13 6.216 16.085 12.626 102 HD3 LYS 13 2HD LYS 13 5.523 14.882 11.536 103 HE2 LYS 13 1HE LYS 13 7.593 14.117 10.854 104 HE3 LYS 13 2HE LYS 13 8.404 15.623 11.277 105 HZ1 LYS 13 3HZ LYS 13 7.369 14.607 13.632 106 HZ2 LYS 13 1HZ LYS 13 8.995 14.668 13.169 107 HZ3 LYS 13 2HZ LYS 13 8.072 13.290 12.837 108 H LYS 14 H LYS 14 2.770 16.770 8.205 109 HA LYS 14 HA LYS 14 2.172 19.396 9.359 110 HB2 LYS 14 1HB LYS 14 0.512 17.393 7.840 111 HB3 LYS 14 2HB LYS 14 -0.215 18.748 8.694 112 HG2 LYS 14 1HG LYS 14 -0.007 19.480 6.491 113 HG3 LYS 14 2HG LYS 14 1.352 20.228 7.333 114 HD2 LYS 14 1HD LYS 14 2.823 19.196 6.017 115 HD3 LYS 14 2HD LYS 14 2.074 17.626 6.316 116 HE2 LYS 14 1HE LYS 14 1.074 19.660 4.327 117 HE3 LYS 14 2HE LYS 14 2.090 18.277 3.923 118 HZ1 LYS 14 3HZ LYS 14 0.241 17.100 3.715 119 HZ2 LYS 14 1HZ LYS 14 -0.714 18.379 4.275 120 HZ3 LYS 14 2HZ LYS 14 -0.043 17.280 5.372 121 H ILE 15 H ILE 15 1.674 19.567 11.436 122 HA ILE 15 HA ILE 15 0.587 17.202 12.820 123 HB ILE 15 HB ILE 15 1.686 18.038 14.883 124 HG12 ILE 15 1HG1 ILE 15 3.603 19.696 13.386 125 HG13 ILE 15 2HG1 ILE 15 1.987 20.383 13.509 126 HG21 ILE 15 1HG2 ILE 15 4.047 17.463 14.119 127 HG22 ILE 15 2HG2 ILE 15 2.790 16.266 13.812 128 HG23 ILE 15 3HG2 ILE 15 3.360 17.300 12.503 129 HD11 ILE 15 3HD1 ILE 15 2.215 20.833 15.687 130 HD12 ILE 15 1HD1 ILE 15 3.059 19.321 16.019 131 HD13 ILE 15 2HD1 ILE 15 3.940 20.695 15.349 132 H ASN 16 H ASN 16 -0.621 17.776 14.846 133 HA ASN 16 HA ASN 16 -2.014 20.354 14.592 134 HB2 ASN 16 1HB ASN 16 -3.245 18.192 13.731 135 HB3 ASN 16 2HB ASN 16 -3.527 17.917 15.448 136 HD21 ASN 16 2HD2 ASN 16 -3.864 20.367 12.923 137 HD22 ASN 16 1HD2 ASN 16 -5.309 21.071 13.555 138 H SER 17 H SER 17 0.119 19.170 16.390 139 HA SER 17 HA SER 17 -1.138 19.993 18.904 140 HG SER 17 HG SER 17 -1.293 16.390 19.078 141 HB2 SER 17 1HB SER 17 0.672 17.579 18.769 142 HB3 SER 17 2HB SER 17 -0.288 18.137 20.139 143 H VAL 18 H VAL 18 0.091 21.346 20.060 144 HA VAL 18 HA VAL 18 2.611 22.211 19.000 145 HB VAL 18 HB VAL 18 2.620 23.862 20.756 146 HG11 VAL 18 1HG1 VAL 18 -0.179 23.468 19.701 147 HG12 VAL 18 2HG1 VAL 18 0.492 24.976 20.325 148 HG13 VAL 18 3HG1 VAL 18 1.144 24.264 18.849 149 HG21 VAL 18 3HG2 VAL 18 0.748 21.972 22.041 150 HG22 VAL 18 1HG2 VAL 18 1.978 23.015 22.754 151 HG23 VAL 18 2HG2 VAL 18 0.418 23.688 22.281 152 H ASP 19 H ASP 19 1.750 19.683 20.980 153 HA ASP 19 HA ASP 19 3.766 19.711 22.948 154 HB2 ASP 19 1HB ASP 19 2.263 17.412 21.683 155 HB3 ASP 19 2HB ASP 19 3.335 17.239 23.070 156 H ASP 20 H ASP 20 3.681 18.438 19.658 157 HA ASP 20 HA ASP 20 6.340 17.326 19.862 158 HB2 ASP 20 1HB ASP 20 4.270 16.589 18.360 159 HB3 ASP 20 2HB ASP 20 5.009 17.714 17.223 160 H ILE 21 H ILE 21 6.760 19.797 20.574 161 HA ILE 21 HA ILE 21 7.895 21.104 18.189 162 HB ILE 21 HB ILE 21 6.701 22.447 20.616 163 HG12 ILE 21 1HG1 ILE 21 5.903 22.559 17.699 164 HG13 ILE 21 2HG1 ILE 21 5.078 21.613 18.934 165 HG21 ILE 21 1HG2 ILE 21 8.727 23.341 18.786 166 HG22 ILE 21 2HG2 ILE 21 7.284 24.344 18.642 167 HG23 ILE 21 3HG2 ILE 21 8.069 24.149 20.209 168 HD11 ILE 21 3HD1 ILE 21 3.882 23.661 18.491 169 HD12 ILE 21 1HD1 ILE 21 4.534 23.681 20.130 170 HD13 ILE 21 2HD1 ILE 21 5.324 24.610 18.855 171 H ILE 22 H ILE 22 10.033 21.053 18.237 172 HA ILE 22 HA ILE 22 11.389 21.117 20.854 173 HB ILE 22 HB ILE 22 13.321 20.051 19.662 174 HG12 ILE 22 1HG1 ILE 22 11.339 19.332 17.514 175 HG13 ILE 22 2HG1 ILE 22 12.365 20.754 17.370 176 HG21 ILE 22 1HG2 ILE 22 12.560 18.158 20.536 177 HG22 ILE 22 2HG2 ILE 22 10.975 18.914 20.686 178 HG23 ILE 22 3HG2 ILE 22 11.375 17.985 19.242 179 HD11 ILE 22 3HD1 ILE 22 13.202 17.876 17.516 180 HD12 ILE 22 1HD1 ILE 22 13.436 19.018 16.193 181 HD13 ILE 22 2HD1 ILE 22 14.331 19.218 17.700 182 H ILE 23 H ILE 23 13.861 21.791 20.348 183 HA ILE 23 HA ILE 23 13.730 24.558 19.710 184 HB ILE 23 HB ILE 23 16.106 22.759 20.188 185 HG12 ILE 23 1HG1 ILE 23 16.094 24.318 22.314 186 HG13 ILE 23 2HG1 ILE 23 14.395 24.519 21.902 187 HG21 ILE 23 1HG2 ILE 23 17.268 24.998 20.603 188 HG22 ILE 23 2HG2 ILE 23 16.984 24.524 18.929 189 HG23 ILE 23 3HG2 ILE 23 15.934 25.714 19.698 190 HD11 ILE 23 3HD1 ILE 23 13.883 22.340 22.380 191 HD12 ILE 23 1HD1 ILE 23 15.526 21.773 22.085 192 HD13 ILE 23 2HD1 ILE 23 15.151 22.661 23.562 193 H LYS 24 H LYS 24 14.493 21.701 17.904 194 HA LYS 24 HA LYS 24 15.655 23.237 15.711 195 HB2 LYS 24 1HB LYS 24 15.340 20.287 16.234 196 HB3 LYS 24 2HB LYS 24 15.855 20.906 14.670 197 HG2 LYS 24 1HG LYS 24 17.899 20.596 15.564 198 HG3 LYS 24 2HG LYS 24 17.593 22.200 16.236 199 HD2 LYS 24 1HD LYS 24 16.990 21.314 18.338 200 HD3 LYS 24 2HD LYS 24 16.845 19.677 17.692 201 HE2 LYS 24 1HE LYS 24 19.365 19.968 17.121 202 HE3 LYS 24 2HE LYS 24 19.305 21.260 18.319 203 HZ1 LYS 24 3HZ LYS 24 18.035 18.960 19.341 204 HZ2 LYS 24 1HZ LYS 24 19.403 19.765 19.929 205 HZ3 LYS 24 2HZ LYS 24 19.573 18.537 18.778 206 H CYS 25 H CYS 25 12.646 22.728 16.725 207 HA CYS 25 HA CYS 25 11.439 21.958 14.201 208 HG CYS 25 HG CYS 25 7.856 23.006 16.310 209 HB2 CYS 25 1HB CYS 25 10.318 21.088 16.099 210 HB3 CYS 25 2HB CYS 25 10.327 22.646 16.916 211 H GLN 26 H GLN 26 10.369 23.286 12.809 212 HA GLN 26 HA GLN 26 10.381 26.164 13.437 213 HB2 GLN 26 1HB GLN 26 10.937 24.868 10.763 214 HB3 GLN 26 2HB GLN 26 10.824 26.599 11.048 215 HG2 GLN 26 1HG GLN 26 12.766 26.534 12.475 216 HG3 GLN 26 2HG GLN 26 12.850 24.780 12.327 217 HE21 GLN 26 2HE2 GLN 26 12.475 27.492 10.064 218 HE22 GLN 26 1HE2 GLN 26 13.748 27.003 9.003 219 H CYS 27 H CYS 27 8.481 27.160 13.266 220 HA CYS 27 HA CYS 27 6.388 25.944 11.600 221 HG CYS 27 HG CYS 27 5.707 26.899 16.092 222 HB2 CYS 27 1HB CYS 27 4.725 26.270 13.306 223 HB3 CYS 27 2HB CYS 27 6.055 25.359 14.010 224 H TRP 28 H TRP 28 4.369 27.699 11.949 225 HA TRP 28 HA TRP 28 5.537 30.264 11.087 226 HD1 TRP 28 HD1 TRP 28 4.904 27.062 9.060 227 HE1 TRP 28 HE1 TRP 28 6.253 27.235 6.875 228 HE3 TRP 28 HE3 TRP 28 4.467 32.088 8.231 229 HZ2 TRP 28 HZ2 TRP 28 7.030 29.237 5.043 230 HZ3 TRP 28 HZ3 TRP 28 5.543 33.053 6.240 231 HH2 TRP 28 HH2 TRP 28 6.799 31.655 4.680 232 HB2 TRP 28 1HB TRP 28 3.068 28.819 10.129 233 HB3 TRP 28 2HB TRP 28 3.357 30.524 9.793 234 H VAL 29 H VAL 29 4.809 32.117 12.001 235 HA VAL 29 HA VAL 29 2.713 31.851 14.057 236 HB VAL 29 HB VAL 29 5.045 33.772 14.040 237 HG11 VAL 29 1HG1 VAL 29 3.716 34.974 15.378 238 HG12 VAL 29 2HG1 VAL 29 2.564 33.652 15.571 239 HG13 VAL 29 3HG1 VAL 29 4.010 33.718 16.580 240 HG21 VAL 29 3HG2 VAL 29 5.932 32.467 15.875 241 HG22 VAL 29 1HG2 VAL 29 4.544 31.382 15.810 242 HG23 VAL 29 2HG2 VAL 29 5.691 31.427 14.471 243 H GLN 30 H GLN 30 1.134 33.413 14.200 244 HA GLN 30 HA GLN 30 0.711 34.980 11.803 245 HB2 GLN 30 1HB GLN 30 -1.142 33.707 12.811 246 HB3 GLN 30 2HB GLN 30 -1.011 34.681 14.270 247 HG2 GLN 30 1HG GLN 30 -1.478 36.691 12.818 248 HG3 GLN 30 2HG GLN 30 -1.890 35.553 11.535 249 HE21 GLN 30 2HE2 GLN 30 -3.364 33.694 12.526 250 HE22 GLN 30 1HE2 GLN 30 -4.758 34.292 13.353 251 H LYS 31 H LYS 31 1.476 36.967 11.601 252 HA LYS 31 HA LYS 31 1.339 38.795 13.877 253 HB2 LYS 31 1HB LYS 31 3.836 38.047 12.383 254 HB3 LYS 31 2HB LYS 31 3.679 39.632 13.130 255 HG2 LYS 31 1HG LYS 31 3.324 37.051 14.632 256 HG3 LYS 31 2HG LYS 31 4.863 37.907 14.504 257 HD2 LYS 31 1HD LYS 31 2.486 39.450 15.399 258 HD3 LYS 31 2HD LYS 31 3.196 38.298 16.533 259 HE2 LYS 31 1HE LYS 31 4.429 40.145 17.052 260 HE3 LYS 31 2HE LYS 31 5.436 39.478 15.768 261 HZ1 LYS 31 3HZ LYS 31 3.321 41.346 15.004 262 HZ2 LYS 31 1HZ LYS 31 4.857 41.120 14.333 263 HZ3 LYS 31 2HZ LYS 31 4.684 41.985 15.776 264 H ASN 32 H ASN 32 0.807 40.842 13.323 265 HA ASN 32 HA ASN 32 -0.015 42.537 12.043 266 HB2 ASN 32 1HB ASN 32 2.507 42.509 11.495 267 HB3 ASN 32 2HB ASN 32 2.027 41.788 9.961 268 HD21 ASN 32 2HD2 ASN 32 1.875 43.194 8.388 269 HD22 ASN 32 1HD2 ASN 32 1.385 44.845 8.531 270 H ASP 33 H ASP 33 -1.598 40.401 11.817 271 HA ASP 33 HA ASP 33 -3.143 39.335 10.524 272 HB2 ASP 33 1HB ASP 33 -2.699 41.863 8.933 273 HB3 ASP 33 2HB ASP 33 -3.951 40.689 8.535 274 H GLU 34 H GLU 34 -0.281 38.772 10.035 275 HA GLU 34 HA GLU 34 -0.621 37.474 7.433 276 HB2 GLU 34 1HB GLU 34 1.738 39.175 8.241 277 HB3 GLU 34 2HB GLU 34 1.789 38.030 6.908 278 HG2 GLU 34 1HG GLU 34 -0.337 40.119 6.983 279 HG3 GLU 34 2HG GLU 34 1.293 40.537 6.457 280 H GLU 35 H GLU 35 1.508 36.030 7.106 281 HA GLU 35 HA GLU 35 2.004 34.641 9.655 282 HB2 GLU 35 1HB GLU 35 2.053 32.514 8.310 283 HB3 GLU 35 2HB GLU 35 0.470 33.265 8.459 284 HG2 GLU 35 1HG GLU 35 1.722 34.289 6.126 285 HG3 GLU 35 2HG GLU 35 1.863 32.532 6.111 286 H ARG 36 H ARG 36 4.080 34.421 10.154 287 HA ARG 36 HA ARG 36 6.068 34.568 7.983 288 HE ARG 36 HE ARG 36 4.979 39.759 9.984 289 HB2 ARG 36 1HB ARG 36 6.151 35.808 10.733 290 HB3 ARG 36 2HB ARG 36 7.581 35.623 9.727 291 HG2 ARG 36 1HG ARG 36 7.015 37.736 9.147 292 HG3 ARG 36 2HG ARG 36 6.038 36.863 7.964 293 HD2 ARG 36 1HD ARG 36 4.068 37.189 9.177 294 HD3 ARG 36 2HD ARG 36 4.939 37.583 10.659 295 HH11 ARG 36 1HH1 ARG 36 4.450 37.744 7.195 296 HH12 ARG 36 2HH1 ARG 36 4.214 39.077 6.114 297 HH21 ARG 36 1HH2 ARG 36 4.670 41.522 8.571 298 HH22 ARG 36 2HH2 ARG 36 4.340 41.226 6.898 299 H LEU 37 H LEU 37 7.853 33.227 8.122 300 HA LEU 37 HA LEU 37 7.484 30.796 9.558 301 HG LEU 37 HG LEU 37 9.839 29.458 9.506 302 HB2 LEU 37 1HB LEU 37 8.576 31.015 7.322 303 HB3 LEU 37 2HB LEU 37 9.961 31.745 8.130 304 HD11 LEU 37 1HD1 LEU 37 8.617 28.850 6.824 305 HD12 LEU 37 2HD1 LEU 37 7.957 28.498 8.421 306 HD13 LEU 37 3HD1 LEU 37 9.382 27.633 7.847 307 HD21 LEU 37 3HD2 LEU 37 11.565 30.582 7.778 308 HD22 LEU 37 1HD2 LEU 37 11.100 29.152 6.857 309 HD23 LEU 37 2HD2 LEU 37 11.787 28.975 8.472 310 H ALA 38 H ALA 38 7.776 30.677 11.685 311 HA ALA 38 HA ALA 38 10.029 32.144 12.886 312 HB1 ALA 38 1HB ALA 38 7.442 32.298 13.606 313 HB2 ALA 38 2HB ALA 38 7.975 30.985 14.656 314 HB3 ALA 38 3HB ALA 38 8.783 32.551 14.723 315 H GLU 39 H GLU 39 11.626 31.069 13.900 316 HA GLU 39 HA GLU 39 11.490 28.141 13.881 317 HB2 GLU 39 1HB GLU 39 13.393 28.985 12.706 318 HB3 GLU 39 2HB GLU 39 13.807 30.067 14.027 319 HG2 GLU 39 1HG GLU 39 14.498 28.265 15.403 320 HG3 GLU 39 2HG GLU 39 13.830 27.075 14.288 321 H ILE 40 H ILE 40 11.381 26.992 15.701 322 HA ILE 40 HA ILE 40 10.951 28.233 18.200 323 HB ILE 40 HB ILE 40 11.633 25.338 17.677 324 HG12 ILE 40 1HG1 ILE 40 9.682 26.168 16.366 325 HG13 ILE 40 2HG1 ILE 40 9.251 24.936 17.548 326 HG21 ILE 40 1HG2 ILE 40 10.586 26.829 20.045 327 HG22 ILE 40 2HG2 ILE 40 10.132 25.144 19.794 328 HG23 ILE 40 3HG2 ILE 40 11.832 25.583 19.964 329 HD11 ILE 40 3HD1 ILE 40 7.860 26.306 18.603 330 HD12 ILE 40 1HD1 ILE 40 9.034 27.622 18.618 331 HD13 ILE 40 2HD1 ILE 40 8.016 27.364 17.201 332 H LEU 41 H LEU 41 12.235 28.459 19.990 333 HA LEU 41 HA LEU 41 15.091 27.824 19.640 334 HG LEU 41 HG LEU 41 14.298 30.513 18.490 335 HB2 LEU 41 1HB LEU 41 13.771 30.237 20.848 336 HB3 LEU 41 2HB LEU 41 15.448 29.817 21.191 337 HD11 LEU 41 1HD1 LEU 41 16.093 32.375 18.833 338 HD12 LEU 41 2HD1 LEU 41 15.854 32.016 20.543 339 HD13 LEU 41 3HD1 LEU 41 14.492 32.542 19.554 340 HD21 LEU 41 3HD2 LEU 41 16.803 29.228 19.315 341 HD22 LEU 41 1HD2 LEU 41 17.000 30.609 18.236 342 HD23 LEU 41 2HD2 LEU 41 15.995 29.245 17.747 343 H SER 42 H SER 42 12.359 27.997 21.827 344 HA SER 42 HA SER 42 13.464 25.943 23.488 345 HG SER 42 HG SER 42 15.371 27.451 25.447 346 HB2 SER 42 1HB SER 42 14.134 28.578 24.188 347 HB3 SER 42 2HB SER 42 12.844 28.115 25.298 348 H ILE 43 H ILE 43 11.970 25.480 25.376 349 HA ILE 43 HA ILE 43 9.201 26.254 24.749 350 HB ILE 43 HB ILE 43 10.130 23.468 25.454 351 HG12 ILE 43 1HG1 ILE 43 8.662 23.572 23.025 352 HG13 ILE 43 2HG1 ILE 43 9.892 24.828 22.946 353 HG21 ILE 43 1HG2 ILE 43 7.570 23.180 24.679 354 HG22 ILE 43 2HG2 ILE 43 8.065 23.384 26.358 355 HG23 ILE 43 3HG2 ILE 43 7.487 24.771 25.435 356 HD11 ILE 43 3HD1 ILE 43 10.205 21.875 23.134 357 HD12 ILE 43 1HD1 ILE 43 11.001 23.029 22.064 358 HD13 ILE 43 2HD1 ILE 43 11.474 22.926 23.760 359 H ASN 44 H ASN 44 7.966 26.790 26.455 360 HA ASN 44 HA ASN 44 9.018 26.220 29.147 361 HB2 ASN 44 1HB ASN 44 9.407 28.559 28.697 362 HB3 ASN 44 2HB ASN 44 7.750 28.772 28.138 363 HD21 ASN 44 2HD2 ASN 44 7.775 30.505 29.738 364 HD22 ASN 44 1HD2 ASN 44 7.405 30.123 31.382 365 H THR 45 H THR 45 7.690 24.627 29.811 366 HA THR 45 HA THR 45 4.802 24.918 29.396 367 HB THR 45 HB THR 45 4.655 22.562 30.160 368 HG1 THR 45 HG1 THR 45 7.464 22.385 29.948 369 HG21 THR 45 3HG2 THR 45 5.407 23.488 27.718 370 HG22 THR 45 1HG2 THR 45 5.042 21.800 28.072 371 HG23 THR 45 2HG2 THR 45 6.715 22.359 28.070 372 H ARG 46 H ARG 46 5.138 26.735 31.081 373 HA ARG 46 HA ARG 46 4.790 25.580 33.770 374 HE ARG 46 HE ARG 46 8.925 25.928 35.842 375 HB2 ARG 46 1HB ARG 46 6.226 28.034 32.847 376 HB3 ARG 46 2HB ARG 46 5.474 28.039 34.436 377 HG2 ARG 46 1HG ARG 46 6.764 25.881 34.866 378 HG3 ARG 46 2HG ARG 46 7.695 26.300 33.426 379 HD2 ARG 46 1HD ARG 46 8.466 28.319 34.409 380 HD3 ARG 46 2HD ARG 46 7.325 28.180 35.746 381 HH11 ARG 46 1HH1 ARG 46 9.336 29.377 36.076 382 HH12 ARG 46 2HH1 ARG 46 10.711 29.273 37.125 383 HH21 ARG 46 1HH2 ARG 46 10.735 25.778 37.223 384 HH22 ARG 46 2HH2 ARG 46 11.507 27.226 37.776 385 H LYS 47 H LYS 47 3.008 26.586 31.372 386 HA LYS 47 HA LYS 47 1.014 27.816 33.128 387 HB2 LYS 47 1HB LYS 47 2.423 29.199 31.064 388 HB3 LYS 47 2HB LYS 47 0.745 29.023 30.566 389 HG2 LYS 47 1HG LYS 47 1.113 31.117 31.752 390 HG3 LYS 47 2HG LYS 47 0.004 30.065 32.634 391 HD2 LYS 47 1HD LYS 47 1.628 29.518 34.240 392 HD3 LYS 47 2HD LYS 47 2.948 30.116 33.232 393 HE2 LYS 47 1HE LYS 47 2.569 31.700 34.985 394 HE3 LYS 47 2HE LYS 47 1.999 32.408 33.474 395 HZ1 LYS 47 3HZ LYS 47 0.124 30.968 35.231 396 HZ2 LYS 47 1HZ LYS 47 -0.194 32.181 34.095 397 HZ3 LYS 47 2HZ LYS 47 0.536 32.574 35.568 398 H ALA 48 H ALA 48 -1.133 28.042 31.765 399 HA ALA 48 HA ALA 48 -1.462 25.741 29.981 400 HB1 ALA 48 1HB ALA 48 -2.152 24.681 31.911 401 HB2 ALA 48 2HB ALA 48 -2.841 26.152 32.599 402 HB3 ALA 48 3HB ALA 48 -3.673 25.320 31.286 403 HA PRO 49 HA PRO 49 -1.801 25.500 28.146 404 HB2 PRO 49 1HB PRO 49 -1.200 26.736 25.805 405 HB3 PRO 49 2HB PRO 49 -2.734 25.904 26.085 406 HG2 PRO 49 1HG PRO 49 -2.111 28.829 26.231 407 HG3 PRO 49 2HG PRO 49 -3.518 28.018 25.516 408 HD2 PRO 49 1HD PRO 49 -3.592 29.182 27.960 409 HD3 PRO 49 2HD PRO 49 -4.555 27.746 27.557 410 HA PRO 50 HA PRO 50 2.293 26.850 29.016 411 HB2 PRO 50 1HB PRO 50 3.756 25.432 27.222 412 HB3 PRO 50 2HB PRO 50 2.980 24.692 28.628 413 HG2 PRO 50 1HG PRO 50 2.061 24.773 25.780 414 HG3 PRO 50 2HG PRO 50 2.035 23.420 26.926 415 HD2 PRO 50 1HD PRO 50 -0.162 24.903 26.373 416 HD3 PRO 50 2HD PRO 50 0.122 24.174 27.967 417 H LYS 51 H LYS 51 4.410 27.540 27.792 418 HA LYS 51 HA LYS 51 3.651 29.326 25.574 419 HB2 LYS 51 1HB LYS 51 5.291 29.863 28.026 420 HB3 LYS 51 2HB LYS 51 5.595 30.773 26.551 421 HG2 LYS 51 1HG LYS 51 3.349 31.622 26.547 422 HG3 LYS 51 2HG LYS 51 2.918 30.598 27.918 423 HD2 LYS 51 1HD LYS 51 4.522 31.797 29.321 424 HD3 LYS 51 2HD LYS 51 4.970 32.812 27.948 425 HE2 LYS 51 1HE LYS 51 2.416 33.337 27.869 426 HE3 LYS 51 2HE LYS 51 2.440 32.775 29.540 427 HZ1 LYS 51 3HZ LYS 51 2.740 35.152 29.452 428 HZ2 LYS 51 1HZ LYS 51 4.068 34.990 28.416 429 HZ3 LYS 51 2HZ LYS 51 4.164 34.427 30.008 430 H PHE 52 H PHE 52 5.393 29.897 24.109 431 HA PHE 52 HA PHE 52 7.695 28.090 24.140 432 HD1 PHE 52 HD2 PHE 52 3.955 27.714 23.178 433 HD2 PHE 52 HD1 PHE 52 7.384 25.289 22.484 434 HE1 PHE 52 HE2 PHE 52 2.685 25.725 23.873 435 HE2 PHE 52 HE1 PHE 52 6.119 23.296 23.177 436 HZ PHE 52 HZ PHE 52 3.766 23.512 23.874 437 HB2 PHE 52 1HB PHE 52 5.882 28.458 21.745 438 HB3 PHE 52 2HB PHE 52 7.373 27.521 21.774 439 H TYR 53 H TYR 53 9.509 28.843 23.012 440 HA TYR 53 HA TYR 53 9.458 31.728 22.499 441 HD1 TYR 53 HD2 TYR 53 10.250 33.238 23.667 442 HD2 TYR 53 HD1 TYR 53 13.883 31.366 22.487 443 HE1 TYR 53 HE2 TYR 53 11.368 35.429 23.655 444 HE2 TYR 53 HE1 TYR 53 15.012 33.552 22.473 445 HH TYR 53 HH TYR 53 14.339 35.978 23.893 446 HB2 TYR 53 1HB TYR 53 11.118 30.528 24.113 447 HB3 TYR 53 2HB TYR 53 11.966 30.083 22.636 448 H VAL 54 H VAL 54 9.290 32.369 20.466 449 HA VAL 54 HA VAL 54 10.389 30.646 18.342 450 HB VAL 54 HB VAL 54 8.796 31.886 16.824 451 HG11 VAL 54 1HG1 VAL 54 7.195 30.289 17.117 452 HG12 VAL 54 2HG1 VAL 54 8.471 29.596 18.119 453 HG13 VAL 54 3HG1 VAL 54 7.151 30.495 18.868 454 HG21 VAL 54 3HG2 VAL 54 6.842 32.942 17.919 455 HG22 VAL 54 1HG2 VAL 54 7.670 32.795 19.470 456 HG23 VAL 54 2HG2 VAL 54 8.347 33.817 18.202 457 H HIS 55 H HIS 55 11.389 31.673 16.530 458 HA HIS 55 HA HIS 55 12.241 34.449 16.972 459 HD1 HIS 55 HD1 HIS 55 14.079 35.762 15.843 460 HD2 HIS 55 HD2 HIS 55 16.347 32.338 15.211 461 HE1 HIS 55 HE1 HIS 55 15.961 36.471 14.334 462 HB2 HIS 55 1HB HIS 55 14.141 33.322 17.743 463 HB3 HIS 55 2HB HIS 55 13.985 32.040 16.546 464 H TYR 56 H TYR 56 11.976 35.676 15.228 465 HA TYR 56 HA TYR 56 11.040 34.537 12.775 466 HD1 TYR 56 HD2 TYR 56 10.890 37.393 15.639 467 HD2 TYR 56 HD1 TYR 56 8.531 36.330 12.261 468 HE1 TYR 56 HE2 TYR 56 8.848 37.687 16.979 469 HE2 TYR 56 HE1 TYR 56 6.483 36.623 13.591 470 HH TYR 56 HH TYR 56 6.258 36.560 16.658 471 HB2 TYR 56 1HB TYR 56 11.828 37.398 13.360 472 HB3 TYR 56 2HB TYR 56 10.861 36.838 12.000 473 H VAL 57 H VAL 57 12.439 33.487 11.510 474 HA VAL 57 HA VAL 57 15.205 33.929 11.379 475 HB VAL 57 HB VAL 57 13.443 32.698 9.255 476 HG11 VAL 57 1HG1 VAL 57 16.407 32.709 9.717 477 HG12 VAL 57 2HG1 VAL 57 15.619 31.419 8.806 478 HG13 VAL 57 3HG1 VAL 57 15.514 33.088 8.245 479 HG21 VAL 57 3HG2 VAL 57 13.076 31.057 10.710 480 HG22 VAL 57 1HG2 VAL 57 14.806 30.717 10.693 481 HG23 VAL 57 2HG2 VAL 57 14.135 31.813 11.901 482 H ASN 58 H ASN 58 12.538 35.383 9.657 483 HA ASN 58 HA ASN 58 14.065 36.550 7.564 484 HB2 ASN 58 1HB ASN 58 11.405 37.466 8.680 485 HB3 ASN 58 2HB ASN 58 12.077 37.879 7.105 486 HD21 ASN 58 2HD2 ASN 58 12.910 35.635 6.035 487 HD22 ASN 58 1HD2 ASN 58 11.641 34.471 5.895 488 H TYR 59 H TYR 59 13.495 37.389 10.860 489 HA TYR 59 HA TYR 59 14.769 40.010 10.423 490 HD1 TYR 59 HD1 TYR 59 13.182 41.568 9.848 491 HD2 TYR 59 HD2 TYR 59 10.721 39.127 12.316 492 HE1 TYR 59 HE1 TYR 59 11.212 42.240 8.538 493 HE2 TYR 59 HE2 TYR 59 8.744 39.791 11.011 494 HH TYR 59 HH TYR 59 7.971 41.015 9.334 495 HB2 TYR 59 1HB TYR 59 12.984 39.170 12.716 496 HB3 TYR 59 2HB TYR 59 13.684 40.767 12.478 497 H ASN 60 H ASN 60 15.582 40.658 12.904 498 HA ASN 60 HA ASN 60 17.842 38.899 13.275 499 HB2 ASN 60 1HB ASN 60 17.236 41.267 15.022 500 HB3 ASN 60 2HB ASN 60 18.801 40.614 14.545 501 HD21 ASN 60 2HD2 ASN 60 18.669 40.449 11.882 502 HD22 ASN 60 1HD2 ASN 60 18.429 42.008 11.177 503 H LYS 61 H LYS 61 18.523 38.517 15.656 504 HA LYS 61 HA LYS 61 16.584 36.804 16.823 505 HB2 LYS 61 1HB LYS 61 19.086 37.812 18.172 506 HB3 LYS 61 2HB LYS 61 18.237 36.300 18.465 507 HG2 LYS 61 1HG LYS 61 18.809 35.769 16.004 508 HG3 LYS 61 2HG LYS 61 20.001 37.060 16.174 509 HD2 LYS 61 1HD LYS 61 19.802 34.689 18.027 510 HD3 LYS 61 2HD LYS 61 20.883 34.765 16.634 511 HE2 LYS 61 1HE LYS 61 21.052 37.082 18.418 512 HE3 LYS 61 2HE LYS 61 21.516 35.558 19.171 513 HZ1 LYS 61 3HZ LYS 61 22.750 36.950 16.893 514 HZ2 LYS 61 1HZ LYS 61 22.902 35.270 17.023 515 HZ3 LYS 61 2HZ LYS 61 23.483 36.269 18.257 516 H ARG 62 H ARG 62 17.025 40.130 17.005 517 HA ARG 62 HA ARG 62 16.123 40.481 19.721 518 HE ARG 62 HE ARG 62 16.504 45.176 18.147 519 HB2 ARG 62 1HB ARG 62 16.273 42.818 19.311 520 HB3 ARG 62 2HB ARG 62 17.642 42.080 18.489 521 HG2 ARG 62 1HG ARG 62 15.996 42.081 16.441 522 HG3 ARG 62 2HG ARG 62 15.220 43.375 17.356 523 HD2 ARG 62 1HD ARG 62 18.176 43.393 16.871 524 HD3 ARG 62 2HD ARG 62 17.057 43.979 15.641 525 HH11 ARG 62 1HH1 ARG 62 18.763 45.255 15.500 526 HH12 ARG 62 2HH1 ARG 62 19.196 46.915 15.748 527 HH21 ARG 62 1HH2 ARG 62 17.065 47.361 18.484 528 HH22 ARG 62 2HH2 ARG 62 18.230 48.111 17.446 529 H LEU 63 H LEU 63 14.585 39.461 17.033 530 HA LEU 63 HA LEU 63 12.100 40.926 17.543 531 HG LEU 63 HG LEU 63 11.977 41.048 13.891 532 HB2 LEU 63 1HB LEU 63 13.241 39.459 15.255 533 HB3 LEU 63 2HB LEU 63 11.501 39.288 15.483 534 HD11 LEU 63 1HD1 LEU 63 10.114 41.218 15.644 535 HD12 LEU 63 2HD1 LEU 63 10.557 42.678 14.760 536 HD13 LEU 63 3HD1 LEU 63 11.133 42.438 16.409 537 HD21 LEU 63 3HD2 LEU 63 13.469 42.733 14.182 538 HD22 LEU 63 1HD2 LEU 63 14.235 41.531 15.221 539 HD23 LEU 63 2HD2 LEU 63 13.229 42.796 15.929 540 H ASP 64 H ASP 64 13.602 37.860 18.008 541 HA ASP 64 HA ASP 64 11.469 36.115 18.165 542 HB2 ASP 64 1HB ASP 64 12.831 34.788 19.699 543 HB3 ASP 64 2HB ASP 64 13.825 35.431 18.395 544 H GLU 65 H GLU 65 10.428 35.204 20.119 545 HA GLU 65 HA GLU 65 10.265 36.658 22.535 546 HB2 GLU 65 1HB GLU 65 8.051 37.631 22.332 547 HB3 GLU 65 2HB GLU 65 9.106 38.288 21.088 548 HG2 GLU 65 1HG GLU 65 8.122 36.730 19.461 549 HG3 GLU 65 2HG GLU 65 7.031 36.140 20.713 550 H TRP 66 H TRP 66 8.072 35.995 23.704 551 HA TRP 66 HA TRP 66 7.894 33.087 23.377 552 HD1 TRP 66 HD1 TRP 66 9.580 35.922 25.738 553 HE1 TRP 66 HE1 TRP 66 11.785 34.970 26.664 554 HE3 TRP 66 HE3 TRP 66 8.280 30.986 26.012 555 HZ2 TRP 66 HZ2 TRP 66 12.834 32.458 27.410 556 HZ3 TRP 66 HZ3 TRP 66 9.942 29.372 26.842 557 HH2 TRP 66 HH2 TRP 66 12.172 30.095 27.525 558 HB2 TRP 66 1HB TRP 66 7.072 34.845 25.699 559 HB3 TRP 66 2HB TRP 66 6.975 33.087 25.667 560 H ILE 67 H ILE 67 6.300 32.544 22.018 561 HA ILE 67 HA ILE 67 3.755 33.995 22.150 562 HB ILE 67 HB ILE 67 3.199 32.876 20.034 563 HG12 ILE 67 1HG1 ILE 67 6.022 31.808 20.031 564 HG13 ILE 67 2HG1 ILE 67 4.643 30.844 20.551 565 HG21 ILE 67 1HG2 ILE 67 4.559 34.202 18.657 566 HG22 ILE 67 2HG2 ILE 67 4.518 35.050 20.202 567 HG23 ILE 67 3HG2 ILE 67 5.930 34.091 19.760 568 HD11 ILE 67 3HD1 ILE 67 5.211 30.348 18.260 569 HD12 ILE 67 1HD1 ILE 67 3.633 31.130 18.337 570 HD13 ILE 67 2HD1 ILE 67 5.048 32.049 17.824 571 H THR 68 H THR 68 1.756 32.685 21.920 572 HA THR 68 HA THR 68 1.957 30.256 23.570 573 HB THR 68 HB THR 68 -0.653 30.777 23.722 574 HG1 THR 68 HG1 THR 68 -1.131 32.873 23.446 575 HG21 THR 68 3HG2 THR 68 -0.197 32.023 25.806 576 HG22 THR 68 1HG2 THR 68 1.486 32.200 25.311 577 HG23 THR 68 2HG2 THR 68 0.827 30.597 25.639 578 H THR 69 H THR 69 -0.049 28.771 23.174 579 HA THR 69 HA THR 69 0.232 27.569 20.687 580 HB THR 69 HB THR 69 -1.673 26.205 21.224 581 HG1 THR 69 HG1 THR 69 -3.102 26.790 22.888 582 HG21 THR 69 3HG2 THR 69 -1.080 25.412 23.435 583 HG22 THR 69 1HG2 THR 69 -0.273 26.936 23.799 584 HG23 THR 69 2HG2 THR 69 0.384 25.864 22.562 585 H ASP 70 H ASP 70 -2.198 29.889 21.800 586 HA ASP 70 HA ASP 70 -3.780 29.835 19.456 587 HB2 ASP 70 1HB ASP 70 -3.460 32.016 21.529 588 HB3 ASP 70 2HB ASP 70 -4.727 31.959 20.307 589 H ARG 71 H ARG 71 -0.701 31.091 20.052 590 HA ARG 71 HA ARG 71 -0.906 33.074 17.904 591 HE ARG 71 HE ARG 71 -0.412 36.134 21.836 592 HB2 ARG 71 1HB ARG 71 1.233 32.534 19.965 593 HB3 ARG 71 2HB ARG 71 1.432 33.681 18.647 594 HG2 ARG 71 1HG ARG 71 -0.798 34.680 19.584 595 HG3 ARG 71 2HG ARG 71 -0.305 33.843 21.057 596 HD2 ARG 71 1HD ARG 71 1.889 35.003 20.908 597 HD3 ARG 71 2HD ARG 71 1.266 35.917 19.535 598 HH11 ARG 71 1HH1 ARG 71 2.494 37.342 20.347 599 HH12 ARG 71 2HH1 ARG 71 2.433 38.870 21.162 600 HH21 ARG 71 1HH2 ARG 71 -0.504 38.142 22.915 601 HH22 ARG 71 2HH2 ARG 71 0.727 39.323 22.623 602 H ILE 72 H ILE 72 -0.303 29.875 18.181 603 HA ILE 72 HA ILE 72 1.846 29.821 16.188 604 HB ILE 72 HB ILE 72 0.628 27.560 17.777 605 HG12 ILE 72 1HG1 ILE 72 3.437 28.588 18.041 606 HG13 ILE 72 2HG1 ILE 72 2.121 29.369 18.910 607 HG21 ILE 72 1HG2 ILE 72 1.432 26.792 15.618 608 HG22 ILE 72 2HG2 ILE 72 2.984 27.580 15.897 609 HG23 ILE 72 3HG2 ILE 72 2.492 26.220 16.906 610 HD11 ILE 72 3HD1 ILE 72 2.210 27.828 20.487 611 HD12 ILE 72 1HD1 ILE 72 1.962 26.548 19.299 612 HD13 ILE 72 2HD1 ILE 72 3.594 27.107 19.666 613 H ASN 73 H ASN 73 1.602 28.908 14.178 614 HA ASN 73 HA ASN 73 -1.169 28.526 13.304 615 HB2 ASN 73 1HB ASN 73 1.331 28.930 11.646 616 HB3 ASN 73 2HB ASN 73 -0.320 28.880 11.036 617 HD21 ASN 73 2HD2 ASN 73 -1.031 30.809 10.533 618 HD22 ASN 73 1HD2 ASN 73 -0.697 32.278 11.378 619 H LEU 74 H LEU 74 -1.776 26.460 13.521 620 HA LEU 74 HA LEU 74 0.111 24.316 12.920 621 HG LEU 74 HG LEU 74 -1.482 23.096 16.015 622 HB2 LEU 74 1HB LEU 74 -2.479 24.522 14.360 623 HB3 LEU 74 2HB LEU 74 -2.068 22.975 13.623 624 HD11 LEU 74 1HD1 LEU 74 0.089 22.181 13.883 625 HD12 LEU 74 2HD1 LEU 74 0.125 21.639 15.560 626 HD13 LEU 74 3HD1 LEU 74 1.205 22.927 15.027 627 HD21 LEU 74 3HD2 LEU 74 -0.781 25.638 15.608 628 HD22 LEU 74 1HD2 LEU 74 0.807 24.887 15.452 629 HD23 LEU 74 2HD2 LEU 74 -0.129 24.669 16.931 630 H ASP 75 H ASP 75 -1.299 26.132 10.917 631 HA ASP 75 HA ASP 75 -2.769 24.115 9.377 632 HB2 ASP 75 1HB ASP 75 -3.795 26.370 9.751 633 HB3 ASP 75 2HB ASP 75 -2.485 27.071 8.805 634 H LYS 76 H LYS 76 0.235 25.757 9.519 635 HA LYS 76 HA LYS 76 0.886 25.058 6.748 636 HB2 LYS 76 1HB LYS 76 2.042 26.947 8.755 637 HB3 LYS 76 2HB LYS 76 3.083 26.322 7.482 638 HG2 LYS 76 1HG LYS 76 2.345 28.016 6.249 639 HG3 LYS 76 2HG LYS 76 0.833 27.116 6.113 640 HD2 LYS 76 1HD LYS 76 -0.181 28.343 7.837 641 HD3 LYS 76 2HD LYS 76 1.366 28.962 8.422 642 HE2 LYS 76 1HE LYS 76 0.391 30.774 7.304 643 HE3 LYS 76 2HE LYS 76 1.558 30.122 6.155 644 HZ1 LYS 76 3HZ LYS 76 -1.386 29.859 6.124 645 HZ2 LYS 76 1HZ LYS 76 -0.396 28.817 5.233 646 HZ3 LYS 76 2HZ LYS 76 -0.372 30.479 4.921 647 H GLU 77 H GLU 77 2.543 23.668 6.215 648 HA GLU 77 HA GLU 77 3.029 21.475 7.831 649 HB2 GLU 77 1HB GLU 77 4.929 22.472 5.707 650 HB3 GLU 77 2HB GLU 77 4.701 20.814 6.246 651 HG2 GLU 77 1HG GLU 77 2.268 21.144 5.424 652 HG3 GLU 77 2HG GLU 77 2.944 22.495 4.516 653 H VAL 78 H VAL 78 4.712 20.821 9.150 654 HA VAL 78 HA VAL 78 6.316 23.007 10.268 655 HB VAL 78 HB VAL 78 5.719 20.266 11.389 656 HG11 VAL 78 1HG1 VAL 78 7.713 20.704 12.407 657 HG12 VAL 78 2HG1 VAL 78 7.530 22.454 12.260 658 HG13 VAL 78 3HG1 VAL 78 6.636 21.573 13.500 659 HG21 VAL 78 3HG2 VAL 78 4.559 21.807 13.139 660 HG22 VAL 78 1HG2 VAL 78 4.547 22.980 11.823 661 HG23 VAL 78 2HG2 VAL 78 3.735 21.427 11.627 662 H LEU 79 H LEU 79 8.532 22.892 10.464 663 HA LEU 79 HA LEU 79 9.828 20.868 8.778 664 HG LEU 79 HG LEU 79 11.392 21.702 7.250 665 HB2 LEU 79 1HB LEU 79 10.174 23.689 9.140 666 HB3 LEU 79 2HB LEU 79 11.677 22.855 9.531 667 HD11 LEU 79 1HD1 LEU 79 9.315 23.844 7.122 668 HD12 LEU 79 2HD1 LEU 79 9.248 22.178 6.547 669 HD13 LEU 79 3HD1 LEU 79 10.196 23.376 5.667 670 HD21 LEU 79 3HD2 LEU 79 13.154 23.062 7.045 671 HD22 LEU 79 1HD2 LEU 79 12.379 24.354 7.962 672 HD23 LEU 79 2HD2 LEU 79 12.038 24.168 6.242 673 H TYR 80 H TYR 80 11.220 19.425 9.597 674 HA TYR 80 HA TYR 80 12.014 19.735 12.419 675 HD1 TYR 80 HD2 TYR 80 11.291 17.670 14.534 676 HD2 TYR 80 HD1 TYR 80 8.796 18.084 11.113 677 HE1 TYR 80 HE2 TYR 80 9.320 17.818 15.997 678 HE2 TYR 80 HE1 TYR 80 6.817 18.233 12.567 679 HH TYR 80 HH TYR 80 6.245 18.786 14.846 680 HB2 TYR 80 1HB TYR 80 11.090 17.316 10.897 681 HB3 TYR 80 2HB TYR 80 12.122 17.138 12.311 682 HA PRO 81 HA PRO 81 16.226 19.315 11.264 683 HB2 PRO 81 1HB PRO 81 17.235 17.870 13.329 684 HB3 PRO 81 2HB PRO 81 16.751 19.563 13.487 685 HG2 PRO 81 1HG PRO 81 15.254 17.085 14.252 686 HG3 PRO 81 2HG PRO 81 15.430 18.606 15.145 687 HD2 PRO 81 1HD PRO 81 13.212 18.006 13.714 688 HD3 PRO 81 2HD PRO 81 13.803 19.669 13.906 689 H LYS 82 H LYS 82 17.658 17.961 10.231 690 HA LYS 82 HA LYS 82 16.732 15.197 9.820 691 HB2 LYS 82 1HB LYS 82 16.782 16.668 7.813 692 HB3 LYS 82 2HB LYS 82 18.516 16.863 8.036 693 HG2 LYS 82 1HG LYS 82 18.827 15.074 6.775 694 HG3 LYS 82 2HG LYS 82 18.050 14.100 8.027 695 HD2 LYS 82 1HD LYS 82 15.890 14.425 6.998 696 HD3 LYS 82 2HD LYS 82 16.584 15.532 5.811 697 HE2 LYS 82 1HE LYS 82 16.852 13.764 4.483 698 HE3 LYS 82 2HE LYS 82 18.122 13.234 5.586 699 HZ1 LYS 82 3HZ LYS 82 16.019 12.297 6.863 700 HZ2 LYS 82 1HZ LYS 82 16.807 11.413 5.655 701 HZ3 LYS 82 2HZ LYS 82 15.389 12.261 5.294 702 H LEU 83 H LEU 83 17.873 13.700 10.842 703 HA LEU 83 HA LEU 83 20.677 14.255 11.513 704 HG LEU 83 HG LEU 83 20.802 14.144 14.006 705 HB2 LEU 83 1HB LEU 83 18.524 12.625 12.742 706 HB3 LEU 83 2HB LEU 83 20.180 12.045 12.910 707 HD11 LEU 83 1HD1 LEU 83 19.296 15.690 12.980 708 HD12 LEU 83 2HD1 LEU 83 18.982 15.689 14.715 709 HD13 LEU 83 3HD1 LEU 83 17.895 14.832 13.622 710 HD21 LEU 83 3HD2 LEU 83 19.490 12.060 15.104 711 HD22 LEU 83 1HD2 LEU 83 18.413 13.383 15.552 712 HD23 LEU 83 2HD2 LEU 83 20.111 13.428 16.029 713 H LYS 84 H LYS 84 22.316 12.854 10.965 714 HA LYS 84 HA LYS 84 21.892 11.265 8.623 715 HB2 LYS 84 1HB LYS 84 24.333 10.735 8.885 716 HB3 LYS 84 2HB LYS 84 23.959 12.451 8.791 717 HG2 LYS 84 1HG LYS 84 24.589 12.849 10.934 718 HG3 LYS 84 2HG LYS 84 24.113 11.243 11.491 719 HD2 LYS 84 1HD LYS 84 26.467 11.664 9.669 720 HD3 LYS 84 2HD LYS 84 26.613 11.775 11.425 721 HE2 LYS 84 1HE LYS 84 25.386 9.382 10.091 722 HE3 LYS 84 2HE LYS 84 27.129 9.523 10.314 723 HZ1 LYS 84 3HZ LYS 84 25.190 8.717 12.177 724 HZ2 LYS 84 1HZ LYS 84 25.914 10.137 12.745 725 HZ3 LYS 84 2HZ LYS 84 26.869 8.792 12.371 726 H ALA 85 H ALA 85 20.279 9.835 9.695 727 HA ALA 85 HA ALA 85 21.648 7.552 10.957 728 HB1 ALA 85 1HB ALA 85 20.227 7.474 12.683 729 HB2 ALA 85 2HB ALA 85 19.852 9.146 12.263 730 HB3 ALA 85 3HB ALA 85 18.829 7.838 11.671 731 H THR 86 H THR 86 20.481 5.485 10.685 732 HA THR 86 HA THR 86 19.244 5.370 8.021 733 HB THR 86 HB THR 86 21.225 4.028 8.113 734 HG1 THR 86 HG1 THR 86 19.134 2.148 8.476 735 HG21 THR 86 3HG2 THR 86 20.384 3.536 10.807 736 HG22 THR 86 1HG2 THR 86 21.937 3.187 10.049 737 HG23 THR 86 2HG2 THR 86 20.635 1.999 9.981 738 H ASP 87 H ASP 87 17.130 5.047 7.924 739 HA ASP 87 HA ASP 87 15.848 3.345 9.940 740 HB2 ASP 87 1HB ASP 87 13.875 5.003 9.823 741 HB3 ASP 87 2HB ASP 87 15.272 5.448 10.799 742 H GLU 88 H GLU 88 13.645 2.648 9.260 743 HA GLU 88 HA GLU 88 13.597 2.233 6.347 744 HB2 GLU 88 1HB GLU 88 12.214 0.235 6.849 745 HB3 GLU 88 2HB GLU 88 13.817 0.162 7.568 746 HG2 GLU 88 1HG GLU 88 12.957 0.676 9.727 747 HG3 GLU 88 2HG GLU 88 11.363 1.036 9.067 748 H ASP 89 H ASP 89 11.649 2.415 5.208 749 HA ASP 89 HA ASP 89 9.407 3.658 6.642 750 HB2 ASP 89 1HB ASP 89 10.735 4.681 4.131 751 HB3 ASP 89 2HB ASP 89 9.129 5.191 4.642 Start of MODEL 4 1 H1 GLY -2 H GLY -2 36.825 1.004 -13.212 2 HA2 GLY -2 1HA GLY -2 37.296 -0.553 -10.749 3 HA3 GLY -2 2HA GLY -2 37.307 1.204 -10.725 4 H SER -1 H SER -1 35.518 1.974 -9.843 5 HA SER -1 HA SER -1 33.078 0.431 -9.828 6 HG SER -1 HG SER -1 32.005 0.939 -7.806 7 HB2 SER -1 1HB SER -1 34.041 1.955 -7.939 8 HB3 SER -1 2HB SER -1 33.270 3.260 -8.840 9 H HIS 0 H HIS 0 30.989 1.858 -10.163 10 HA HIS 0 HA HIS 0 31.063 3.814 -12.226 11 HD1 HIS 0 HD1 HIS 0 28.085 0.677 -13.140 12 HD2 HIS 0 HD2 HIS 0 32.030 -0.522 -12.630 13 HE1 HIS 0 HE1 HIS 0 27.980 -1.786 -12.644 14 HB2 HIS 0 1HB HIS 0 29.828 2.414 -13.927 15 HB3 HIS 0 2HB HIS 0 31.529 2.009 -13.716 16 H MET 1 H MET 1 29.273 5.020 -12.093 17 HA MET 1 HA MET 1 27.169 4.178 -10.293 18 HB2 MET 1 1HB MET 1 27.847 6.745 -11.694 19 HB3 MET 1 2HB MET 1 26.273 6.531 -10.939 20 HG2 MET 1 1HG MET 1 27.389 7.493 -9.217 21 HG3 MET 1 2HG MET 1 27.741 5.800 -8.880 22 HE1 MET 1 3HE MET 1 30.627 9.096 -10.088 23 HE2 MET 1 1HE MET 1 28.918 9.054 -10.522 24 HE3 MET 1 2HE MET 1 29.394 9.171 -8.828 25 H SER 2 H SER 2 24.964 4.045 -10.820 26 HA SER 2 HA SER 2 24.335 3.890 -13.688 27 HG SER 2 HG SER 2 23.049 0.745 -13.769 28 HB2 SER 2 1HB SER 2 24.737 1.608 -12.673 29 HB3 SER 2 2HB SER 2 23.326 1.894 -11.654 30 H HIS 3 H HIS 3 23.464 6.043 -13.218 31 HA HIS 3 HA HIS 3 21.742 7.482 -12.846 32 HD1 HIS 3 HD1 HIS 3 20.418 8.261 -14.758 33 HD2 HIS 3 HD2 HIS 3 17.434 6.406 -12.540 34 HE1 HIS 3 HE1 HIS 3 18.382 9.712 -15.024 35 HB2 HIS 3 1HB HIS 3 20.626 5.467 -14.117 36 HB3 HIS 3 2HB HIS 3 19.835 5.191 -12.568 37 H ASP 4 H ASP 4 23.192 6.277 -10.568 38 HA ASP 4 HA ASP 4 21.127 6.478 -8.482 39 HB2 ASP 4 1HB ASP 4 22.781 4.440 -8.742 40 HB3 ASP 4 2HB ASP 4 23.898 5.514 -7.905 41 H GLY 5 H GLY 5 21.201 8.068 -6.989 42 HA2 GLY 5 1HA GLY 5 23.593 9.790 -6.932 43 HA3 GLY 5 2HA GLY 5 21.994 10.496 -7.110 44 H LYS 6 H LYS 6 21.482 11.480 -5.273 45 HA LYS 6 HA LYS 6 21.295 9.961 -2.838 46 HB2 LYS 6 1HB LYS 6 23.420 12.018 -3.229 47 HB3 LYS 6 2HB LYS 6 22.625 11.935 -1.663 48 HG2 LYS 6 1HG LYS 6 23.193 9.456 -1.685 49 HG3 LYS 6 2HG LYS 6 24.263 9.832 -3.037 50 HD2 LYS 6 1HD LYS 6 25.755 10.103 -1.344 51 HD3 LYS 6 2HD LYS 6 25.066 11.728 -1.342 52 HE2 LYS 6 1HE LYS 6 25.125 10.978 0.917 53 HE3 LYS 6 2HE LYS 6 23.442 10.936 0.394 54 HZ1 LYS 6 3HZ LYS 6 24.672 8.909 1.611 55 HZ2 LYS 6 1HZ LYS 6 24.931 8.482 -0.005 56 HZ3 LYS 6 2HZ LYS 6 23.356 8.712 0.566 57 H GLU 7 H GLU 7 20.011 10.980 -1.247 58 HA GLU 7 HA GLU 7 18.307 13.086 -2.336 59 HB2 GLU 7 1HB GLU 7 18.003 10.997 -0.234 60 HB3 GLU 7 2HB GLU 7 17.061 12.472 -0.065 61 HG2 GLU 7 1HG GLU 7 15.684 10.935 -1.190 62 HG3 GLU 7 2HG GLU 7 16.237 12.081 -2.410 63 H GLU 8 H GLU 8 17.538 14.795 -0.828 64 HA GLU 8 HA GLU 8 19.794 15.779 0.780 65 HB2 GLU 8 1HB GLU 8 18.588 18.012 0.528 66 HB3 GLU 8 2HB GLU 8 19.331 17.343 -0.919 67 HG2 GLU 8 1HG GLU 8 16.473 16.735 -0.377 68 HG3 GLU 8 2HG GLU 8 16.905 18.341 -0.959 69 HA PRO 9 HA PRO 9 17.528 15.552 4.529 70 HB2 PRO 9 1HB PRO 9 18.405 17.766 5.833 71 HB3 PRO 9 2HB PRO 9 19.413 16.335 5.585 72 HG2 PRO 9 1HG PRO 9 19.363 18.905 4.052 73 HG3 PRO 9 2HG PRO 9 20.757 17.953 4.595 74 HD2 PRO 9 1HD PRO 9 19.834 17.863 2.051 75 HD3 PRO 9 2HD PRO 9 20.580 16.462 2.847 76 H GLY 10 H GLY 10 16.301 17.167 6.123 77 HA2 GLY 10 1HA GLY 10 14.848 19.073 6.279 78 HA3 GLY 10 2HA GLY 10 14.696 19.051 4.529 79 H ILE 11 H ILE 11 13.133 18.369 7.350 80 HA ILE 11 HA ILE 11 11.385 16.388 6.041 81 HB ILE 11 HB ILE 11 11.665 16.781 9.018 82 HG12 ILE 11 1HG1 ILE 11 12.755 14.328 8.485 83 HG13 ILE 11 2HG1 ILE 11 13.318 15.270 7.108 84 HG21 ILE 11 1HG2 ILE 11 10.164 15.113 9.282 85 HG22 ILE 11 2HG2 ILE 11 9.633 15.645 7.687 86 HG23 ILE 11 3HG2 ILE 11 10.703 14.252 7.840 87 HD11 ILE 11 3HD1 ILE 11 13.656 16.186 9.945 88 HD12 ILE 11 1HD1 ILE 11 14.841 15.182 9.110 89 HD13 ILE 11 2HD1 ILE 11 14.459 16.791 8.496 90 H ALA 12 H ALA 12 9.462 17.144 5.485 91 HA ALA 12 HA ALA 12 8.357 19.430 6.982 92 HB1 ALA 12 1HB ALA 12 8.108 18.681 4.082 93 HB2 ALA 12 2HB ALA 12 7.039 19.849 4.859 94 HB3 ALA 12 3HB ALA 12 8.773 20.158 4.779 95 H LYS 13 H LYS 13 7.045 18.492 8.461 96 HA LYS 13 HA LYS 13 4.931 16.716 7.429 97 HB2 LYS 13 1HB LYS 13 4.963 15.444 9.426 98 HB3 LYS 13 2HB LYS 13 6.645 15.617 8.945 99 HG2 LYS 13 1HG LYS 13 6.954 17.383 10.584 100 HG3 LYS 13 2HG LYS 13 5.254 17.268 11.045 101 HD2 LYS 13 1HD LYS 13 6.376 16.019 12.675 102 HD3 LYS 13 2HD LYS 13 5.755 14.806 11.553 103 HE2 LYS 13 1HE LYS 13 8.445 15.862 10.961 104 HE3 LYS 13 2HE LYS 13 8.306 14.888 12.423 105 HZ1 LYS 13 3HZ LYS 13 8.280 14.060 9.697 106 HZ2 LYS 13 1HZ LYS 13 6.913 13.497 10.520 107 HZ3 LYS 13 2HZ LYS 13 8.459 13.131 11.099 108 H LYS 14 H LYS 14 2.849 17.018 8.214 109 HA LYS 14 HA LYS 14 2.390 19.636 9.449 110 HB2 LYS 14 1HB LYS 14 0.829 17.868 7.636 111 HB3 LYS 14 2HB LYS 14 -0.078 18.874 8.758 112 HG2 LYS 14 1HG LYS 14 0.802 20.863 7.834 113 HG3 LYS 14 2HG LYS 14 2.020 19.978 6.913 114 HD2 LYS 14 1HD LYS 14 0.615 19.864 5.196 115 HD3 LYS 14 2HD LYS 14 -0.509 18.934 6.191 116 HE2 LYS 14 1HE LYS 14 -1.856 20.693 5.653 117 HE3 LYS 14 2HE LYS 14 -1.109 21.342 7.112 118 HZ1 LYS 14 3HZ LYS 14 0.215 21.837 4.548 119 HZ2 LYS 14 1HZ LYS 14 0.147 22.807 5.933 120 HZ3 LYS 14 2HZ LYS 14 -1.188 22.716 4.899 121 H ILE 15 H ILE 15 1.904 19.753 11.531 122 HA ILE 15 HA ILE 15 0.799 17.366 12.854 123 HB ILE 15 HB ILE 15 1.701 18.287 14.958 124 HG12 ILE 15 1HG1 ILE 15 3.293 20.253 13.343 125 HG13 ILE 15 2HG1 ILE 15 1.693 20.687 13.935 126 HG21 ILE 15 1HG2 ILE 15 3.112 17.096 12.844 127 HG22 ILE 15 2HG2 ILE 15 4.188 18.309 13.535 128 HG23 ILE 15 3HG2 ILE 15 3.502 17.051 14.563 129 HD11 ILE 15 3HD1 ILE 15 4.060 20.990 15.285 130 HD12 ILE 15 1HD1 ILE 15 2.447 21.029 15.995 131 HD13 ILE 15 2HD1 ILE 15 3.376 19.529 15.997 132 H ASN 16 H ASN 16 -0.352 18.107 15.018 133 HA ASN 16 HA ASN 16 -2.036 20.450 14.523 134 HB2 ASN 16 1HB ASN 16 -3.162 18.369 13.632 135 HB3 ASN 16 2HB ASN 16 -3.212 17.775 15.289 136 HD21 ASN 16 2HD2 ASN 16 -4.224 20.434 13.210 137 HD22 ASN 16 1HD2 ASN 16 -5.644 20.833 14.109 138 H SER 17 H SER 17 0.104 19.333 16.469 139 HA SER 17 HA SER 17 -1.243 20.317 18.876 140 HG SER 17 HG SER 17 -1.793 16.998 19.341 141 HB2 SER 17 1HB SER 17 0.570 17.923 19.060 142 HB3 SER 17 2HB SER 17 -0.611 18.508 20.233 143 H VAL 18 H VAL 18 0.011 21.568 20.166 144 HA VAL 18 HA VAL 18 2.535 22.450 19.115 145 HB VAL 18 HB VAL 18 2.549 24.068 20.904 146 HG11 VAL 18 1HG1 VAL 18 -0.212 23.685 19.753 147 HG12 VAL 18 2HG1 VAL 18 0.369 25.166 20.517 148 HG13 VAL 18 3HG1 VAL 18 1.118 24.588 19.029 149 HG21 VAL 18 3HG2 VAL 18 1.867 23.272 22.894 150 HG22 VAL 18 1HG2 VAL 18 0.277 23.829 22.372 151 HG23 VAL 18 2HG2 VAL 18 0.730 22.137 22.166 152 H ASP 19 H ASP 19 1.533 20.076 21.348 153 HA ASP 19 HA ASP 19 3.686 20.043 23.146 154 HB2 ASP 19 1HB ASP 19 1.534 18.761 23.377 155 HB3 ASP 19 2HB ASP 19 2.145 17.633 22.170 156 H ASP 20 H ASP 20 3.283 18.602 19.956 157 HA ASP 20 HA ASP 20 5.828 17.239 20.076 158 HB2 ASP 20 1HB ASP 20 3.643 17.498 18.047 159 HB3 ASP 20 2HB ASP 20 5.235 16.954 17.526 160 H ILE 21 H ILE 21 6.537 19.681 20.637 161 HA ILE 21 HA ILE 21 7.700 20.724 18.141 162 HB ILE 21 HB ILE 21 6.661 22.350 20.463 163 HG12 ILE 21 1HG1 ILE 21 5.835 22.311 17.553 164 HG13 ILE 21 2HG1 ILE 21 4.953 21.525 18.858 165 HG21 ILE 21 1HG2 ILE 21 7.368 24.309 19.122 166 HG22 ILE 21 2HG2 ILE 21 8.718 23.325 19.684 167 HG23 ILE 21 3HG2 ILE 21 8.182 23.211 18.008 168 HD11 ILE 21 3HD1 ILE 21 3.921 23.627 18.278 169 HD12 ILE 21 1HD1 ILE 21 4.594 23.711 19.906 170 HD13 ILE 21 2HD1 ILE 21 5.439 24.479 18.561 171 H ILE 22 H ILE 22 9.829 21.296 18.201 172 HA ILE 22 HA ILE 22 11.220 21.058 20.784 173 HB ILE 22 HB ILE 22 13.150 20.051 19.502 174 HG12 ILE 22 1HG1 ILE 22 11.031 19.434 17.438 175 HG13 ILE 22 2HG1 ILE 22 12.211 20.727 17.253 176 HG21 ILE 22 1HG2 ILE 22 10.943 18.883 20.697 177 HG22 ILE 22 2HG2 ILE 22 11.127 18.002 19.181 178 HG23 ILE 22 3HG2 ILE 22 12.472 18.092 20.318 179 HD11 ILE 22 3HD1 ILE 22 14.012 19.173 17.214 180 HD12 ILE 22 1HD1 ILE 22 12.944 17.841 17.655 181 HD13 ILE 22 2HD1 ILE 22 12.784 18.614 16.077 182 H ILE 23 H ILE 23 13.686 21.750 20.276 183 HA ILE 23 HA ILE 23 13.537 24.534 19.692 184 HB ILE 23 HB ILE 23 15.931 22.752 20.152 185 HG12 ILE 23 1HG1 ILE 23 15.863 24.255 22.325 186 HG13 ILE 23 2HG1 ILE 23 14.161 24.408 21.903 187 HG21 ILE 23 1HG2 ILE 23 16.842 24.546 18.999 188 HG22 ILE 23 2HG2 ILE 23 15.698 25.698 19.686 189 HG23 ILE 23 3HG2 ILE 23 17.000 25.046 20.682 190 HD11 ILE 23 3HD1 ILE 23 15.462 21.723 22.095 191 HD12 ILE 23 1HD1 ILE 23 14.867 22.558 23.529 192 HD13 ILE 23 2HD1 ILE 23 13.755 22.146 22.223 193 H LYS 24 H LYS 24 14.470 21.698 17.889 194 HA LYS 24 HA LYS 24 15.608 23.271 15.724 195 HB2 LYS 24 1HB LYS 24 15.164 20.288 15.948 196 HB3 LYS 24 2HB LYS 24 16.062 21.099 14.671 197 HG2 LYS 24 1HG LYS 24 16.792 20.989 17.590 198 HG3 LYS 24 2HG LYS 24 17.591 20.140 16.263 199 HD2 LYS 24 1HD LYS 24 18.016 22.450 15.266 200 HD3 LYS 24 2HD LYS 24 17.549 23.091 16.844 201 HE2 LYS 24 1HE LYS 24 19.826 22.923 17.096 202 HE3 LYS 24 2HE LYS 24 19.304 21.362 17.727 203 HZ1 LYS 24 3HZ LYS 24 19.987 20.273 15.807 204 HZ2 LYS 24 1HZ LYS 24 21.222 21.399 16.070 205 HZ3 LYS 24 2HZ LYS 24 20.048 21.692 14.888 206 H CYS 25 H CYS 25 12.581 22.747 16.677 207 HA CYS 25 HA CYS 25 11.419 22.015 14.122 208 HG CYS 25 HG CYS 25 7.776 21.477 15.414 209 HB2 CYS 25 1HB CYS 25 10.264 21.117 15.985 210 HB3 CYS 25 2HB CYS 25 10.261 22.661 16.827 211 H GLN 26 H GLN 26 10.377 23.364 12.729 212 HA GLN 26 HA GLN 26 10.385 26.233 13.398 213 HB2 GLN 26 1HB GLN 26 10.985 24.955 10.725 214 HB3 GLN 26 2HB GLN 26 10.836 26.685 11.003 215 HG2 GLN 26 1HG GLN 26 12.787 26.745 12.320 216 HG3 GLN 26 2HG GLN 26 12.837 24.988 12.459 217 HE21 GLN 26 2HE2 GLN 26 13.586 27.729 10.508 218 HE22 GLN 26 1HE2 GLN 26 14.473 26.888 9.288 219 H CYS 27 H CYS 27 8.461 27.178 13.309 220 HA CYS 27 HA CYS 27 6.384 25.992 11.594 221 HG CYS 27 HG CYS 27 6.690 28.586 14.501 222 HB2 CYS 27 1HB CYS 27 4.717 26.350 13.290 223 HB3 CYS 27 2HB CYS 27 6.039 25.438 14.009 224 H TRP 28 H TRP 28 4.374 27.765 11.917 225 HA TRP 28 HA TRP 28 5.562 30.320 11.052 226 HD1 TRP 28 HD1 TRP 28 5.029 27.146 8.971 227 HE1 TRP 28 HE1 TRP 28 6.432 27.380 6.826 228 HE3 TRP 28 HE3 TRP 28 4.524 32.177 8.215 229 HZ2 TRP 28 HZ2 TRP 28 7.221 29.427 5.049 230 HZ3 TRP 28 HZ3 TRP 28 5.635 33.195 6.270 231 HH2 TRP 28 HH2 TRP 28 6.956 31.846 4.721 232 HB2 TRP 28 1HB TRP 28 3.141 28.845 10.027 233 HB3 TRP 28 2HB TRP 28 3.391 30.561 9.715 234 H VAL 29 H VAL 29 4.842 32.163 11.975 235 HA VAL 29 HA VAL 29 2.692 31.905 13.974 236 HB VAL 29 HB VAL 29 4.987 33.870 13.980 237 HG11 VAL 29 1HG1 VAL 29 3.936 33.768 16.513 238 HG12 VAL 29 2HG1 VAL 29 3.616 35.026 15.317 239 HG13 VAL 29 3HG1 VAL 29 2.501 33.670 15.493 240 HG21 VAL 29 3HG2 VAL 29 5.934 32.580 15.770 241 HG22 VAL 29 1HG2 VAL 29 4.549 31.488 15.775 242 HG23 VAL 29 2HG2 VAL 29 5.653 31.507 14.399 243 H GLN 30 H GLN 30 1.120 33.490 14.108 244 HA GLN 30 HA GLN 30 0.691 34.998 11.674 245 HB2 GLN 30 1HB GLN 30 -1.186 33.793 12.645 246 HB3 GLN 30 2HB GLN 30 -1.006 34.677 14.154 247 HG2 GLN 30 1HG GLN 30 -1.816 36.654 13.240 248 HG3 GLN 30 2HG GLN 30 -1.529 36.117 11.586 249 HE21 GLN 30 2HE2 GLN 30 -3.475 36.134 10.677 250 HE22 GLN 30 1HE2 GLN 30 -4.871 35.318 11.284 251 H LYS 31 H LYS 31 1.376 37.006 11.409 252 HA LYS 31 HA LYS 31 1.319 38.860 13.667 253 HB2 LYS 31 1HB LYS 31 3.745 37.983 12.182 254 HB3 LYS 31 2HB LYS 31 3.626 39.686 12.607 255 HG2 LYS 31 1HG LYS 31 3.428 37.397 14.554 256 HG3 LYS 31 2HG LYS 31 4.869 38.377 14.270 257 HD2 LYS 31 1HD LYS 31 3.493 40.388 14.901 258 HD3 LYS 31 2HD LYS 31 2.224 39.271 15.406 259 HE2 LYS 31 1HE LYS 31 5.039 39.352 16.489 260 HE3 LYS 31 2HE LYS 31 3.607 39.991 17.296 261 HZ1 LYS 31 3HZ LYS 31 3.074 37.980 18.034 262 HZ2 LYS 31 1HZ LYS 31 4.605 37.460 17.535 263 HZ3 LYS 31 2HZ LYS 31 3.271 37.267 16.513 264 H ASN 32 H ASN 32 0.494 40.772 13.105 265 HA ASN 32 HA ASN 32 -0.427 42.425 11.841 266 HB2 ASN 32 1HB ASN 32 1.996 42.810 11.371 267 HB3 ASN 32 2HB ASN 32 1.836 41.809 9.931 268 HD21 ASN 32 2HD2 ASN 32 2.507 43.617 8.700 269 HD22 ASN 32 1HD2 ASN 32 1.400 44.889 8.321 270 H ASP 33 H ASP 33 -1.826 40.176 11.556 271 HA ASP 33 HA ASP 33 -3.260 39.009 10.224 272 HB2 ASP 33 1HB ASP 33 -2.977 41.570 8.649 273 HB3 ASP 33 2HB ASP 33 -4.137 40.310 8.236 274 H GLU 34 H GLU 34 -0.381 38.614 9.814 275 HA GLU 34 HA GLU 34 -0.553 37.365 7.172 276 HB2 GLU 34 1HB GLU 34 1.612 39.238 8.105 277 HB3 GLU 34 2HB GLU 34 1.901 38.050 6.842 278 HG2 GLU 34 1HG GLU 34 0.236 39.043 5.438 279 HG3 GLU 34 2HG GLU 34 -0.260 40.139 6.727 280 H GLU 35 H GLU 35 1.487 35.918 6.858 281 HA GLU 35 HA GLU 35 1.987 34.515 9.402 282 HB2 GLU 35 1HB GLU 35 1.527 33.442 6.626 283 HB3 GLU 35 2HB GLU 35 2.303 32.477 7.875 284 HG2 GLU 35 1HG GLU 35 0.109 31.817 8.041 285 HG3 GLU 35 2HG GLU 35 0.215 33.063 9.284 286 H ARG 36 H ARG 36 4.035 34.400 10.029 287 HA ARG 36 HA ARG 36 6.146 34.726 7.999 288 HE ARG 36 HE ARG 36 5.464 39.985 10.186 289 HB2 ARG 36 1HB ARG 36 5.956 35.889 10.773 290 HB3 ARG 36 2HB ARG 36 7.481 35.776 9.905 291 HG2 ARG 36 1HG ARG 36 6.503 37.133 8.086 292 HG3 ARG 36 2HG ARG 36 5.038 37.313 9.054 293 HD2 ARG 36 1HD ARG 36 6.675 38.177 10.881 294 HD3 ARG 36 2HD ARG 36 7.772 38.429 9.524 295 HH11 ARG 36 1HH1 ARG 36 7.507 38.922 7.576 296 HH12 ARG 36 2HH1 ARG 36 7.132 40.273 6.559 297 HH21 ARG 36 1HH2 ARG 36 4.962 41.769 8.857 298 HH22 ARG 36 2HH2 ARG 36 5.685 41.893 7.288 299 H LEU 37 H LEU 37 7.822 33.320 8.054 300 HA LEU 37 HA LEU 37 7.540 30.892 9.466 301 HG LEU 37 HG LEU 37 9.917 29.627 9.466 302 HB2 LEU 37 1HB LEU 37 8.693 31.191 7.275 303 HB3 LEU 37 2HB LEU 37 10.024 31.960 8.137 304 HD11 LEU 37 1HD1 LEU 37 8.175 28.594 8.253 305 HD12 LEU 37 2HD1 LEU 37 9.671 27.857 7.680 306 HD13 LEU 37 3HD1 LEU 37 8.862 29.082 6.703 307 HD21 LEU 37 3HD2 LEU 37 11.949 29.274 8.551 308 HD22 LEU 37 1HD2 LEU 37 11.695 30.888 7.888 309 HD23 LEU 37 2HD2 LEU 37 11.360 29.467 6.899 310 H ALA 38 H ALA 38 7.803 30.683 11.586 311 HA ALA 38 HA ALA 38 9.971 32.189 12.894 312 HB1 ALA 38 1HB ALA 38 8.681 32.498 14.735 313 HB2 ALA 38 2HB ALA 38 7.394 32.367 13.537 314 HB3 ALA 38 3HB ALA 38 7.821 30.972 14.527 315 H GLU 39 H GLU 39 11.584 31.103 13.840 316 HA GLU 39 HA GLU 39 11.438 28.176 13.846 317 HB2 GLU 39 1HB GLU 39 13.329 29.004 12.643 318 HB3 GLU 39 2HB GLU 39 13.763 30.095 13.952 319 HG2 GLU 39 1HG GLU 39 14.574 28.370 15.287 320 HG3 GLU 39 2HG GLU 39 13.729 27.131 14.360 321 H ILE 40 H ILE 40 11.344 27.041 15.675 322 HA ILE 40 HA ILE 40 10.932 28.290 18.169 323 HB ILE 40 HB ILE 40 11.646 25.401 17.650 324 HG12 ILE 40 1HG1 ILE 40 9.661 26.192 16.375 325 HG13 ILE 40 2HG1 ILE 40 9.262 24.974 17.581 326 HG21 ILE 40 1HG2 ILE 40 10.644 26.889 20.036 327 HG22 ILE 40 2HG2 ILE 40 10.183 25.204 19.798 328 HG23 ILE 40 3HG2 ILE 40 11.886 25.641 19.930 329 HD11 ILE 40 3HD1 ILE 40 7.938 27.311 17.231 330 HD12 ILE 40 1HD1 ILE 40 7.943 26.368 18.721 331 HD13 ILE 40 2HD1 ILE 40 9.049 27.729 18.535 332 H LEU 41 H LEU 41 12.228 28.548 19.946 333 HA LEU 41 HA LEU 41 15.095 27.984 19.560 334 HG LEU 41 HG LEU 41 14.339 30.633 18.443 335 HB2 LEU 41 1HB LEU 41 13.698 30.339 20.780 336 HB3 LEU 41 2HB LEU 41 15.365 29.952 21.198 337 HD11 LEU 41 1HD1 LEU 41 15.970 32.586 18.851 338 HD12 LEU 41 2HD1 LEU 41 15.780 32.186 20.558 339 HD13 LEU 41 3HD1 LEU 41 14.374 32.645 19.598 340 HD21 LEU 41 3HD2 LEU 41 16.978 29.685 19.467 341 HD22 LEU 41 1HD2 LEU 41 16.920 30.805 18.106 342 HD23 LEU 41 2HD2 LEU 41 16.116 29.239 17.993 343 H SER 42 H SER 42 12.367 27.944 21.739 344 HA SER 42 HA SER 42 13.554 25.911 23.348 345 HG SER 42 HG SER 42 15.127 26.384 24.766 346 HB2 SER 42 1HB SER 42 14.251 28.488 24.106 347 HB3 SER 42 2HB SER 42 12.904 28.093 25.174 348 H ILE 43 H ILE 43 12.101 25.442 25.307 349 HA ILE 43 HA ILE 43 9.305 26.131 24.709 350 HB ILE 43 HB ILE 43 10.317 23.361 25.365 351 HG12 ILE 43 1HG1 ILE 43 8.754 23.657 22.939 352 HG13 ILE 43 2HG1 ILE 43 10.185 24.682 22.904 353 HG21 ILE 43 1HG2 ILE 43 7.918 22.731 24.938 354 HG22 ILE 43 2HG2 ILE 43 8.213 23.635 26.422 355 HG23 ILE 43 3HG2 ILE 43 7.535 24.451 25.014 356 HD11 ILE 43 3HD1 ILE 43 11.397 22.504 23.678 357 HD12 ILE 43 1HD1 ILE 43 9.976 21.716 22.992 358 HD13 ILE 43 2HD1 ILE 43 10.987 22.750 21.981 359 H ASN 44 H ASN 44 8.055 26.568 26.442 360 HA ASN 44 HA ASN 44 9.155 25.995 29.111 361 HB2 ASN 44 1HB ASN 44 9.516 28.354 28.646 362 HB3 ASN 44 2HB ASN 44 7.825 28.552 28.193 363 HD21 ASN 44 2HD2 ASN 44 6.833 29.690 29.684 364 HD22 ASN 44 1HD2 ASN 44 6.990 29.488 31.393 365 H THR 45 H THR 45 7.840 24.372 29.739 366 HA THR 45 HA THR 45 4.947 24.666 29.369 367 HB THR 45 HB THR 45 4.815 22.290 30.070 368 HG1 THR 45 HG1 THR 45 6.714 22.180 31.327 369 HG21 THR 45 3HG2 THR 45 5.600 23.301 27.646 370 HG22 THR 45 1HG2 THR 45 5.136 21.627 27.948 371 HG23 THR 45 2HG2 THR 45 6.838 22.087 27.966 372 H ARG 46 H ARG 46 5.305 26.440 31.098 373 HA ARG 46 HA ARG 46 4.994 25.214 33.760 374 HE ARG 46 HE ARG 46 10.269 26.535 35.041 375 HB2 ARG 46 1HB ARG 46 6.294 27.798 32.934 376 HB3 ARG 46 2HB ARG 46 5.728 27.543 34.579 377 HG2 ARG 46 1HG ARG 46 7.162 25.429 34.553 378 HG3 ARG 46 2HG ARG 46 7.910 26.112 33.108 379 HD2 ARG 46 1HD ARG 46 8.681 28.012 34.299 380 HD3 ARG 46 2HD ARG 46 7.690 27.618 35.703 381 HH11 ARG 46 1HH1 ARG 46 7.299 26.006 36.779 382 HH12 ARG 46 2HH1 ARG 46 8.009 24.909 37.917 383 HH21 ARG 46 1HH2 ARG 46 11.215 25.093 36.535 384 HH22 ARG 46 2HH2 ARG 46 10.236 24.392 37.778 385 H LYS 47 H LYS 47 3.189 26.301 31.402 386 HA LYS 47 HA LYS 47 1.200 27.451 33.217 387 HB2 LYS 47 1HB LYS 47 2.620 28.992 31.357 388 HB3 LYS 47 2HB LYS 47 1.048 28.716 30.619 389 HG2 LYS 47 1HG LYS 47 0.997 30.764 31.869 390 HG3 LYS 47 2HG LYS 47 -0.028 29.570 32.668 391 HD2 LYS 47 1HD LYS 47 1.585 29.186 34.362 392 HD3 LYS 47 2HD LYS 47 2.831 30.063 33.471 393 HE2 LYS 47 1HE LYS 47 2.133 31.538 35.160 394 HE3 LYS 47 2HE LYS 47 1.331 32.105 33.697 395 HZ1 LYS 47 3HZ LYS 47 -0.493 30.416 34.661 396 HZ2 LYS 47 1HZ LYS 47 -0.470 32.070 35.012 397 HZ3 LYS 47 2HZ LYS 47 0.194 30.964 36.106 398 H ALA 48 H ALA 48 -0.952 27.731 31.868 399 HA ALA 48 HA ALA 48 -1.284 25.500 29.999 400 HB1 ALA 48 1HB ALA 48 -1.973 24.366 31.884 401 HB2 ALA 48 2HB ALA 48 -2.654 25.810 32.635 402 HB3 ALA 48 3HB ALA 48 -3.495 25.034 31.293 403 HA PRO 49 HA PRO 49 -1.651 25.308 28.162 404 HB2 PRO 49 1HB PRO 49 -1.064 26.610 25.853 405 HB3 PRO 49 2HB PRO 49 -2.600 25.778 26.123 406 HG2 PRO 49 1HG PRO 49 -1.958 28.694 26.350 407 HG3 PRO 49 2HG PRO 49 -3.376 27.913 25.625 408 HD2 PRO 49 1HD PRO 49 -3.421 29.004 28.103 409 HD3 PRO 49 2HD PRO 49 -4.396 27.586 27.666 410 HA PRO 50 HA PRO 50 2.459 26.606 29.031 411 HB2 PRO 50 1HB PRO 50 3.897 25.238 27.179 412 HB3 PRO 50 2HB PRO 50 3.131 24.458 28.568 413 HG2 PRO 50 1HG PRO 50 2.184 24.634 25.733 414 HG3 PRO 50 2HG PRO 50 2.162 23.246 26.836 415 HD2 PRO 50 1HD PRO 50 -0.032 24.758 26.353 416 HD3 PRO 50 2HD PRO 50 0.263 23.977 27.920 417 H LYS 51 H LYS 51 4.560 27.347 27.834 418 HA LYS 51 HA LYS 51 3.795 29.194 25.667 419 HB2 LYS 51 1HB LYS 51 5.508 29.658 28.094 420 HB3 LYS 51 2HB LYS 51 5.690 30.650 26.654 421 HG2 LYS 51 1HG LYS 51 3.222 31.146 26.835 422 HG3 LYS 51 2HG LYS 51 3.280 30.386 28.427 423 HD2 LYS 51 1HD LYS 51 4.646 32.046 29.307 424 HD3 LYS 51 2HD LYS 51 5.208 32.564 27.716 425 HE2 LYS 51 1HE LYS 51 3.739 34.252 28.461 426 HE3 LYS 51 2HE LYS 51 2.832 33.317 27.273 427 HZ1 LYS 51 3HZ LYS 51 1.945 33.935 29.731 428 HZ2 LYS 51 1HZ LYS 51 2.561 32.381 29.989 429 HZ3 LYS 51 2HZ LYS 51 1.377 32.636 28.809 430 H PHE 52 H PHE 52 5.513 29.792 24.199 431 HA PHE 52 HA PHE 52 7.828 27.999 24.174 432 HD1 PHE 52 HD1 PHE 52 4.061 27.680 23.179 433 HD2 PHE 52 HD2 PHE 52 7.469 25.217 22.523 434 HE1 PHE 52 HE1 PHE 52 2.756 25.703 23.844 435 HE2 PHE 52 HE2 PHE 52 6.169 23.236 23.186 436 HZ PHE 52 HZ PHE 52 3.809 23.477 23.846 437 HB2 PHE 52 1HB PHE 52 6.014 28.413 21.788 438 HB3 PHE 52 2HB PHE 52 7.490 27.454 21.815 439 H TYR 53 H TYR 53 9.622 28.779 23.020 440 HA TYR 53 HA TYR 53 9.558 31.677 22.588 441 HD1 TYR 53 HD2 TYR 53 10.361 33.144 23.802 442 HD2 TYR 53 HD1 TYR 53 13.980 31.339 22.481 443 HE1 TYR 53 HE2 TYR 53 11.466 35.340 23.849 444 HE2 TYR 53 HE1 TYR 53 15.096 33.530 22.525 445 HH TYR 53 HH TYR 53 14.819 35.733 22.772 446 HB2 TYR 53 1HB TYR 53 11.254 30.424 24.130 447 HB3 TYR 53 2HB TYR 53 12.072 30.040 22.620 448 H VAL 54 H VAL 54 9.431 32.419 20.587 449 HA VAL 54 HA VAL 54 10.470 30.749 18.391 450 HB VAL 54 HB VAL 54 8.836 32.013 16.937 451 HG11 VAL 54 1HG1 VAL 54 7.057 30.527 17.383 452 HG12 VAL 54 2HG1 VAL 54 8.525 29.680 17.874 453 HG13 VAL 54 3HG1 VAL 54 7.479 30.413 19.091 454 HG21 VAL 54 3HG2 VAL 54 6.881 32.998 18.114 455 HG22 VAL 54 1HG2 VAL 54 7.769 32.846 19.631 456 HG23 VAL 54 2HG2 VAL 54 8.377 33.901 18.355 457 H HIS 55 H HIS 55 11.340 31.888 16.543 458 HA HIS 55 HA HIS 55 12.167 34.652 17.039 459 HD1 HIS 55 HD1 HIS 55 13.987 36.027 15.938 460 HD2 HIS 55 HD2 HIS 55 16.335 32.661 15.287 461 HE1 HIS 55 HE1 HIS 55 15.855 36.789 14.436 462 HB2 HIS 55 1HB HIS 55 14.096 33.585 17.821 463 HB3 HIS 55 2HB HIS 55 13.986 32.299 16.623 464 H TYR 56 H TYR 56 11.901 35.880 15.294 465 HA TYR 56 HA TYR 56 11.006 34.725 12.833 466 HD1 TYR 56 HD2 TYR 56 10.669 37.577 15.687 467 HD2 TYR 56 HD1 TYR 56 8.498 36.418 12.216 468 HE1 TYR 56 HE2 TYR 56 8.563 37.794 16.939 469 HE2 TYR 56 HE1 TYR 56 6.386 36.633 13.458 470 HH TYR 56 HH TYR 56 5.859 36.477 16.232 471 HB2 TYR 56 1HB TYR 56 11.711 37.598 13.467 472 HB3 TYR 56 2HB TYR 56 10.820 37.042 12.055 473 H VAL 57 H VAL 57 12.415 33.736 11.538 474 HA VAL 57 HA VAL 57 15.177 34.203 11.440 475 HB VAL 57 HB VAL 57 13.440 33.010 9.275 476 HG11 VAL 57 1HG1 VAL 57 15.723 31.737 8.955 477 HG12 VAL 57 2HG1 VAL 57 15.440 33.307 8.200 478 HG13 VAL 57 3HG1 VAL 57 16.381 33.198 9.689 479 HG21 VAL 57 3HG2 VAL 57 14.521 31.939 11.827 480 HG22 VAL 57 1HG2 VAL 57 13.000 31.588 11.006 481 HG23 VAL 57 2HG2 VAL 57 14.503 30.873 10.422 482 H ASN 58 H ASN 58 12.514 35.566 9.592 483 HA ASN 58 HA ASN 58 14.090 36.848 7.618 484 HB2 ASN 58 1HB ASN 58 11.527 36.370 7.672 485 HB3 ASN 58 2HB ASN 58 11.430 37.912 8.517 486 HD21 ASN 58 2HD2 ASN 58 13.255 36.646 5.745 487 HD22 ASN 58 1HD2 ASN 58 12.850 37.939 4.674 488 H TYR 59 H TYR 59 13.335 37.605 10.895 489 HA TYR 59 HA TYR 59 14.454 40.308 10.555 490 HD1 TYR 59 HD2 TYR 59 12.983 42.050 10.299 491 HD2 TYR 59 HD1 TYR 59 10.423 39.185 12.126 492 HE1 TYR 59 HE2 TYR 59 11.087 42.923 8.998 493 HE2 TYR 59 HE1 TYR 59 8.521 40.049 10.829 494 HH TYR 59 HH TYR 59 8.501 42.954 9.308 495 HB2 TYR 59 1HB TYR 59 12.644 39.210 12.714 496 HB3 TYR 59 2HB TYR 59 13.361 40.817 12.743 497 H ASN 60 H ASN 60 15.287 40.967 12.987 498 HA ASN 60 HA ASN 60 17.632 39.322 13.331 499 HB2 ASN 60 1HB ASN 60 16.701 41.930 14.509 500 HB3 ASN 60 2HB ASN 60 18.109 41.092 15.156 501 HD21 ASN 60 2HD2 ASN 60 17.292 43.521 13.245 502 HD22 ASN 60 1HD2 ASN 60 18.587 43.493 12.102 503 H LYS 61 H LYS 61 18.359 38.965 15.703 504 HA LYS 61 HA LYS 61 16.514 37.156 16.884 505 HB2 LYS 61 1HB LYS 61 18.235 36.952 18.673 506 HB3 LYS 61 2HB LYS 61 18.876 36.716 17.052 507 HG2 LYS 61 1HG LYS 61 19.029 39.481 17.959 508 HG3 LYS 61 2HG LYS 61 19.934 38.354 18.972 509 HD2 LYS 61 1HD LYS 61 20.715 37.459 16.591 510 HD3 LYS 61 2HD LYS 61 20.349 39.124 16.134 511 HE2 LYS 61 1HE LYS 61 21.753 39.454 18.459 512 HE3 LYS 61 2HE LYS 61 22.542 38.047 17.746 513 HZ1 LYS 61 3HZ LYS 61 23.223 40.521 17.142 514 HZ2 LYS 61 1HZ LYS 61 22.020 40.300 15.973 515 HZ3 LYS 61 2HZ LYS 61 23.346 39.252 16.030 516 H ARG 62 H ARG 62 16.807 40.493 17.077 517 HA ARG 62 HA ARG 62 15.951 40.792 19.814 518 HE ARG 62 HE ARG 62 16.183 44.047 14.847 519 HB2 ARG 62 1HB ARG 62 15.867 43.169 19.330 520 HB3 ARG 62 2HB ARG 62 17.363 42.488 18.706 521 HG2 ARG 62 1HG ARG 62 15.928 42.275 16.498 522 HG3 ARG 62 2HG ARG 62 15.026 43.591 17.252 523 HD2 ARG 62 1HD ARG 62 17.047 44.911 17.440 524 HD3 ARG 62 2HD ARG 62 18.007 43.578 16.798 525 HH11 ARG 62 1HH1 ARG 62 18.448 46.054 16.568 526 HH12 ARG 62 2HH1 ARG 62 18.684 47.148 15.245 527 HH21 ARG 62 1HH2 ARG 62 16.484 45.480 13.098 528 HH22 ARG 62 2HH2 ARG 62 17.566 46.821 13.272 529 H LEU 63 H LEU 63 14.403 39.715 17.155 530 HA LEU 63 HA LEU 63 11.865 41.062 17.729 531 HG LEU 63 HG LEU 63 11.784 41.217 14.062 532 HB2 LEU 63 1HB LEU 63 12.980 39.576 15.417 533 HB3 LEU 63 2HB LEU 63 11.239 39.490 15.674 534 HD11 LEU 63 1HD1 LEU 63 10.448 42.918 14.939 535 HD12 LEU 63 2HD1 LEU 63 11.012 42.640 16.586 536 HD13 LEU 63 3HD1 LEU 63 9.936 41.475 15.814 537 HD21 LEU 63 3HD2 LEU 63 13.024 43.247 14.852 538 HD22 LEU 63 1HD2 LEU 63 14.013 41.797 14.669 539 HD23 LEU 63 2HD2 LEU 63 13.504 42.321 16.275 540 H ASP 64 H ASP 64 13.514 38.061 18.129 541 HA ASP 64 HA ASP 64 11.463 36.224 18.323 542 HB2 ASP 64 1HB ASP 64 12.920 34.931 19.781 543 HB3 ASP 64 2HB ASP 64 13.866 35.662 18.488 544 H GLU 65 H GLU 65 10.541 35.240 20.314 545 HA GLU 65 HA GLU 65 10.382 36.613 22.756 546 HB2 GLU 65 1HB GLU 65 8.055 37.477 22.585 547 HB3 GLU 65 2HB GLU 65 9.199 38.341 21.567 548 HG2 GLU 65 1HG GLU 65 8.409 36.717 19.716 549 HG3 GLU 65 2HG GLU 65 7.029 36.447 20.780 550 H TRP 66 H TRP 66 8.170 35.917 23.910 551 HA TRP 66 HA TRP 66 8.012 33.018 23.498 552 HD1 TRP 66 HD1 TRP 66 9.683 35.790 25.934 553 HE1 TRP 66 HE1 TRP 66 11.891 34.823 26.837 554 HE3 TRP 66 HE3 TRP 66 8.401 30.843 26.083 555 HZ2 TRP 66 HZ2 TRP 66 12.949 32.297 27.521 556 HZ3 TRP 66 HZ3 TRP 66 10.069 29.216 26.874 557 HH2 TRP 66 HH2 TRP 66 12.296 29.930 27.577 558 HB2 TRP 66 1HB TRP 66 7.178 34.702 25.870 559 HB3 TRP 66 2HB TRP 66 7.090 32.945 25.785 560 H ILE 67 H ILE 67 6.421 32.497 22.130 561 HA ILE 67 HA ILE 67 3.873 33.940 22.281 562 HB ILE 67 HB ILE 67 3.320 32.840 20.153 563 HG12 ILE 67 1HG1 ILE 67 6.146 31.787 20.122 564 HG13 ILE 67 2HG1 ILE 67 4.786 30.812 20.665 565 HG21 ILE 67 1HG2 ILE 67 4.785 34.117 18.766 566 HG22 ILE 67 2HG2 ILE 67 4.537 35.019 20.260 567 HG23 ILE 67 3HG2 ILE 67 6.038 34.129 20.007 568 HD11 ILE 67 3HD1 ILE 67 3.732 31.112 18.464 569 HD12 ILE 67 1HD1 ILE 67 5.152 32.011 17.931 570 HD13 ILE 67 2HD1 ILE 67 5.299 30.309 18.371 571 H THR 68 H THR 68 1.875 32.625 22.020 572 HA THR 68 HA THR 68 2.074 30.175 23.641 573 HB THR 68 HB THR 68 -0.538 30.711 23.806 574 HG1 THR 68 HG1 THR 68 -0.985 32.670 23.168 575 HG21 THR 68 3HG2 THR 68 0.452 30.541 25.851 576 HG22 THR 68 1HG2 THR 68 0.241 32.291 25.815 577 HG23 THR 68 2HG2 THR 68 1.803 31.582 25.406 578 H THR 69 H THR 69 0.032 28.723 23.231 579 HA THR 69 HA THR 69 0.302 27.541 20.736 580 HB THR 69 HB THR 69 -1.625 26.206 21.250 581 HG1 THR 69 HG1 THR 69 -3.272 27.118 22.197 582 HG21 THR 69 3HG2 THR 69 -1.015 25.314 23.362 583 HG22 THR 69 1HG2 THR 69 -0.378 26.863 23.913 584 HG23 THR 69 2HG2 THR 69 0.468 25.958 22.657 585 H ASP 70 H ASP 70 -2.133 29.859 21.860 586 HA ASP 70 HA ASP 70 -3.673 29.869 19.493 587 HB2 ASP 70 1HB ASP 70 -4.474 30.724 21.682 588 HB3 ASP 70 2HB ASP 70 -3.368 32.086 21.528 589 H ARG 71 H ARG 71 -0.593 31.096 20.161 590 HA ARG 71 HA ARG 71 -0.750 33.106 18.034 591 HE ARG 71 HE ARG 71 -0.190 36.034 22.145 592 HB2 ARG 71 1HB ARG 71 1.348 32.531 20.128 593 HB3 ARG 71 2HB ARG 71 1.577 33.692 18.827 594 HG2 ARG 71 1HG ARG 71 -0.688 34.665 19.750 595 HG3 ARG 71 2HG ARG 71 -0.170 33.844 21.223 596 HD2 ARG 71 1HD ARG 71 2.028 35.033 20.994 597 HD3 ARG 71 2HD ARG 71 1.308 35.971 19.686 598 HH11 ARG 71 1HH1 ARG 71 2.373 37.496 20.297 599 HH12 ARG 71 2HH1 ARG 71 2.259 39.025 21.104 600 HH21 ARG 71 1HH2 ARG 71 -0.349 38.042 23.215 601 HH22 ARG 71 2HH2 ARG 71 0.711 39.334 22.765 602 H ILE 72 H ILE 72 -0.447 29.972 18.003 603 HA ILE 72 HA ILE 72 1.827 29.908 16.131 604 HB ILE 72 HB ILE 72 0.590 27.625 17.674 605 HG12 ILE 72 1HG1 ILE 72 3.401 28.653 17.960 606 HG13 ILE 72 2HG1 ILE 72 2.079 29.388 18.863 607 HG21 ILE 72 1HG2 ILE 72 1.398 26.909 15.493 608 HG22 ILE 72 2HG2 ILE 72 2.960 27.661 15.811 609 HG23 ILE 72 3HG2 ILE 72 2.433 26.284 16.777 610 HD11 ILE 72 3HD1 ILE 72 3.511 26.928 19.346 611 HD12 ILE 72 1HD1 ILE 72 2.459 27.855 20.415 612 HD13 ILE 72 2HD1 ILE 72 1.766 26.677 19.300 613 H ASN 73 H ASN 73 1.579 29.021 14.107 614 HA ASN 73 HA ASN 73 -1.195 28.690 13.221 615 HB2 ASN 73 1HB ASN 73 0.411 30.346 12.112 616 HB3 ASN 73 2HB ASN 73 1.226 28.937 11.440 617 HD21 ASN 73 2HD2 ASN 73 0.138 30.842 9.813 618 HD22 ASN 73 1HD2 ASN 73 -1.234 30.190 8.989 619 H LEU 74 H LEU 74 -1.842 26.633 13.376 620 HA LEU 74 HA LEU 74 0.022 24.471 12.758 621 HG LEU 74 HG LEU 74 -1.622 23.298 15.857 622 HB2 LEU 74 1HB LEU 74 -2.594 24.674 14.162 623 HB3 LEU 74 2HB LEU 74 -2.145 23.130 13.440 624 HD11 LEU 74 1HD1 LEU 74 1.071 23.034 15.022 625 HD12 LEU 74 2HD1 LEU 74 0.042 22.399 13.739 626 HD13 LEU 74 3HD1 LEU 74 -0.100 21.764 15.378 627 HD21 LEU 74 3HD2 LEU 74 -0.876 25.822 15.401 628 HD22 LEU 74 1HD2 LEU 74 0.702 25.041 15.297 629 HD23 LEU 74 2HD2 LEU 74 -0.268 24.875 16.760 630 H ASP 75 H ASP 75 -1.305 26.327 10.761 631 HA ASP 75 HA ASP 75 -2.833 24.376 9.194 632 HB2 ASP 75 1HB ASP 75 -3.501 26.896 9.670 633 HB3 ASP 75 2HB ASP 75 -2.445 27.196 8.292 634 H LYS 76 H LYS 76 0.212 25.973 9.343 635 HA LYS 76 HA LYS 76 0.871 25.199 6.594 636 HB2 LYS 76 1HB LYS 76 1.900 27.209 8.507 637 HB3 LYS 76 2HB LYS 76 3.103 26.445 7.476 638 HG2 LYS 76 1HG LYS 76 2.468 27.621 5.701 639 HG3 LYS 76 2HG LYS 76 0.760 27.284 5.988 640 HD2 LYS 76 1HD LYS 76 0.601 29.090 7.554 641 HD3 LYS 76 2HD LYS 76 2.347 29.344 7.514 642 HE2 LYS 76 1HE LYS 76 1.428 31.031 6.151 643 HE3 LYS 76 2HE LYS 76 2.077 29.826 5.040 644 HZ1 LYS 76 3HZ LYS 76 -0.707 29.494 5.810 645 HZ2 LYS 76 1HZ LYS 76 0.035 29.272 4.306 646 HZ3 LYS 76 2HZ LYS 76 -0.366 30.829 4.830 647 H GLU 77 H GLU 77 2.585 23.833 6.108 648 HA GLU 77 HA GLU 77 3.006 21.629 7.713 649 HB2 GLU 77 1HB GLU 77 4.983 22.701 5.697 650 HB3 GLU 77 2HB GLU 77 4.822 21.035 6.235 651 HG2 GLU 77 1HG GLU 77 2.556 20.982 5.243 652 HG3 GLU 77 2HG GLU 77 2.831 22.605 4.615 653 H VAL 78 H VAL 78 4.957 20.875 8.794 654 HA VAL 78 HA VAL 78 6.381 23.078 10.140 655 HB VAL 78 HB VAL 78 5.682 20.343 11.215 656 HG11 VAL 78 1HG1 VAL 78 7.813 20.906 12.094 657 HG12 VAL 78 2HG1 VAL 78 7.325 22.576 12.388 658 HG13 VAL 78 3HG1 VAL 78 6.634 21.272 13.353 659 HG21 VAL 78 3HG2 VAL 78 4.617 23.102 11.702 660 HG22 VAL 78 1HG2 VAL 78 3.737 21.612 11.360 661 HG23 VAL 78 2HG2 VAL 78 4.489 21.850 12.937 662 H LEU 79 H LEU 79 8.581 22.979 10.353 663 HA LEU 79 HA LEU 79 9.922 20.941 8.729 664 HG LEU 79 HG LEU 79 11.596 21.803 7.277 665 HB2 LEU 79 1HB LEU 79 10.292 23.754 9.157 666 HB3 LEU 79 2HB LEU 79 11.769 22.886 9.573 667 HD11 LEU 79 1HD1 LEU 79 10.329 23.709 5.810 668 HD12 LEU 79 2HD1 LEU 79 9.278 23.593 7.221 669 HD13 LEU 79 3HD1 LEU 79 9.629 22.155 6.263 670 HD21 LEU 79 3HD2 LEU 79 12.223 24.202 6.235 671 HD22 LEU 79 1HD2 LEU 79 13.312 23.268 7.261 672 HD23 LEU 79 2HD2 LEU 79 12.350 24.572 7.955 673 H TYR 80 H TYR 80 11.215 19.444 9.597 674 HA TYR 80 HA TYR 80 11.918 19.717 12.446 675 HD1 TYR 80 HD2 TYR 80 8.702 18.255 11.158 676 HD2 TYR 80 HD1 TYR 80 11.219 17.491 14.502 677 HE1 TYR 80 HE2 TYR 80 6.753 18.401 12.651 678 HE2 TYR 80 HE1 TYR 80 9.277 17.635 16.004 679 HH TYR 80 HH TYR 80 6.126 18.641 14.842 680 HB2 TYR 80 1HB TYR 80 10.959 17.363 10.864 681 HB3 TYR 80 2HB TYR 80 12.009 17.100 12.252 682 HA PRO 81 HA PRO 81 16.166 19.220 11.472 683 HB2 PRO 81 1HB PRO 81 17.053 17.685 13.528 684 HB3 PRO 81 2HB PRO 81 16.599 19.382 13.723 685 HG2 PRO 81 1HG PRO 81 15.018 16.915 14.337 686 HG3 PRO 81 2HG PRO 81 15.187 18.401 15.289 687 HD2 PRO 81 1HD PRO 81 13.021 17.900 13.744 688 HD3 PRO 81 2HD PRO 81 13.639 19.541 14.018 689 H LYS 82 H LYS 82 17.497 17.921 10.309 690 HA LYS 82 HA LYS 82 16.673 15.110 9.981 691 HB2 LYS 82 1HB LYS 82 16.374 16.604 7.982 692 HB3 LYS 82 2HB LYS 82 18.119 16.821 7.953 693 HG2 LYS 82 1HG LYS 82 18.050 15.109 6.507 694 HG3 LYS 82 2HG LYS 82 17.967 14.128 7.972 695 HD2 LYS 82 1HD LYS 82 15.622 13.892 7.796 696 HD3 LYS 82 2HD LYS 82 15.509 15.169 6.584 697 HE2 LYS 82 1HE LYS 82 16.652 13.791 4.966 698 HE3 LYS 82 2HE LYS 82 16.933 12.541 6.178 699 HZ1 LYS 82 3HZ LYS 82 14.168 13.352 5.687 700 HZ2 LYS 82 1HZ LYS 82 14.796 11.830 6.077 701 HZ3 LYS 82 2HZ LYS 82 14.928 12.419 4.497 702 H LEU 83 H LEU 83 18.046 13.719 10.856 703 HA LEU 83 HA LEU 83 20.907 14.420 10.927 704 HG LEU 83 HG LEU 83 21.593 14.765 13.384 705 HB2 LEU 83 1HB LEU 83 19.117 13.116 12.905 706 HB3 LEU 83 2HB LEU 83 20.790 12.567 12.822 707 HD11 LEU 83 1HD1 LEU 83 19.726 16.452 14.083 708 HD12 LEU 83 2HD1 LEU 83 18.747 15.536 12.938 709 HD13 LEU 83 3HD1 LEU 83 20.227 16.326 12.397 710 HD21 LEU 83 3HD2 LEU 83 20.943 14.837 15.629 711 HD22 LEU 83 1HD2 LEU 83 20.696 13.155 15.160 712 HD23 LEU 83 2HD2 LEU 83 19.318 14.250 15.273 713 H LYS 84 H LYS 84 22.404 12.584 10.832 714 HA LYS 84 HA LYS 84 21.340 10.430 9.127 715 HB2 LYS 84 1HB LYS 84 24.088 11.686 9.180 716 HB3 LYS 84 2HB LYS 84 23.676 10.260 8.238 717 HG2 LYS 84 1HG LYS 84 22.227 12.870 7.922 718 HG3 LYS 84 2HG LYS 84 23.688 12.473 7.014 719 HD2 LYS 84 1HD LYS 84 21.297 10.653 7.050 720 HD3 LYS 84 2HD LYS 84 21.433 11.989 5.904 721 HE2 LYS 84 1HE LYS 84 23.633 11.040 5.188 722 HE3 LYS 84 2HE LYS 84 23.301 9.643 6.210 723 HZ1 LYS 84 3HZ LYS 84 21.258 10.411 4.268 724 HZ2 LYS 84 1HZ LYS 84 21.715 8.873 4.806 725 HZ3 LYS 84 2HZ LYS 84 22.665 9.689 3.669 726 H ALA 85 H ALA 85 22.252 8.319 9.366 727 HA ALA 85 HA ALA 85 22.456 7.421 11.993 728 HB1 ALA 85 1HB ALA 85 23.725 5.913 9.742 729 HB2 ALA 85 2HB ALA 85 22.812 5.304 11.123 730 HB3 ALA 85 3HB ALA 85 21.975 6.124 9.806 731 H THR 86 H THR 86 24.028 7.551 13.443 732 HA THR 86 HA THR 86 26.810 7.774 12.498 733 HB THR 86 HB THR 86 27.236 9.196 14.545 734 HG1 THR 86 HG1 THR 86 25.605 9.533 15.838 735 HG21 THR 86 3HG2 THR 86 27.302 10.650 12.836 736 HG22 THR 86 1HG2 THR 86 25.691 11.132 13.365 737 HG23 THR 86 2HG2 THR 86 25.877 9.952 12.068 738 H ASP 87 H ASP 87 28.429 6.992 13.978 739 HA ASP 87 HA ASP 87 27.406 5.120 16.005 740 HB2 ASP 87 1HB ASP 87 29.408 4.596 13.819 741 HB3 ASP 87 2HB ASP 87 29.386 3.631 15.292 742 H GLU 88 H GLU 88 30.282 6.812 14.780 743 HA GLU 88 HA GLU 88 31.395 6.796 17.497 744 HB2 GLU 88 1HB GLU 88 32.717 6.001 15.425 745 HB3 GLU 88 2HB GLU 88 32.856 7.709 15.033 746 HG2 GLU 88 1HG GLU 88 33.742 7.914 17.472 747 HG3 GLU 88 2HG GLU 88 34.043 6.186 17.303 748 H ASP 89 H ASP 89 31.064 8.539 18.690 749 HA ASP 89 HA ASP 89 31.061 11.172 17.379 750 HB2 ASP 89 1HB ASP 89 28.767 10.844 17.797 751 HB3 ASP 89 2HB ASP 89 29.071 10.076 19.353 Start of MODEL 5 1 H1 GLY -2 H GLY -2 12.915 23.229 -13.833 2 HA2 GLY -2 1HA GLY -2 13.053 21.224 -12.634 3 HA3 GLY -2 2HA GLY -2 11.298 21.170 -12.566 4 H SER -1 H SER -1 14.011 20.835 -14.836 5 HA SER -1 HA SER -1 12.422 18.809 -16.271 6 HG SER -1 HG SER -1 13.052 19.285 -19.173 7 HB2 SER -1 1HB SER -1 12.749 20.742 -17.698 8 HB3 SER -1 2HB SER -1 14.482 20.734 -17.373 9 H HIS 0 H HIS 0 15.844 19.799 -16.072 10 HA HIS 0 HA HIS 0 16.905 17.256 -16.529 11 HD1 HIS 0 HD1 HIS 0 20.781 19.521 -15.060 12 HD2 HIS 0 HD2 HIS 0 18.893 15.923 -15.926 13 HE1 HIS 0 HE1 HIS 0 22.559 17.757 -14.831 14 HB2 HIS 0 1HB HIS 0 18.237 19.298 -16.738 15 HB3 HIS 0 2HB HIS 0 18.119 19.569 -15.001 16 H MET 1 H MET 1 16.612 15.493 -15.344 17 HA MET 1 HA MET 1 16.860 15.707 -12.426 18 HB2 MET 1 1HB MET 1 14.500 15.552 -12.789 19 HB3 MET 1 2HB MET 1 14.704 14.248 -13.952 20 HG2 MET 1 1HG MET 1 15.079 12.672 -12.330 21 HG3 MET 1 2HG MET 1 15.659 13.857 -11.162 22 HE1 MET 1 3HE MET 1 12.866 13.003 -13.402 23 HE2 MET 1 1HE MET 1 11.923 12.076 -12.234 24 HE3 MET 1 2HE MET 1 11.430 13.714 -12.664 25 H SER 2 H SER 2 17.796 13.944 -11.399 26 HA SER 2 HA SER 2 18.685 11.715 -13.084 27 HG SER 2 HG SER 2 21.544 11.307 -12.724 28 HB2 SER 2 1HB SER 2 20.589 13.158 -13.129 29 HB3 SER 2 2HB SER 2 20.464 13.486 -11.400 30 H HIS 3 H HIS 3 18.867 9.768 -12.044 31 HA HIS 3 HA HIS 3 17.629 9.615 -9.425 32 HD1 HIS 3 HD1 HIS 3 16.308 5.510 -10.866 33 HD2 HIS 3 HD2 HIS 3 17.046 8.176 -7.766 34 HE1 HIS 3 HE1 HIS 3 15.020 4.624 -8.897 35 HB2 HIS 3 1HB HIS 3 17.226 8.068 -11.505 36 HB3 HIS 3 2HB HIS 3 18.653 7.223 -10.912 37 H ASP 4 H ASP 4 18.844 9.820 -7.671 38 HA ASP 4 HA ASP 4 21.460 8.475 -7.613 39 HB2 ASP 4 1HB ASP 4 21.429 11.094 -7.811 40 HB3 ASP 4 2HB ASP 4 21.043 11.021 -6.093 41 H GLY 5 H GLY 5 22.253 8.151 -5.331 42 HA2 GLY 5 1HA GLY 5 19.960 7.364 -3.652 43 HA3 GLY 5 2HA GLY 5 21.530 6.575 -3.642 44 H LYS 6 H LYS 6 21.066 10.055 -3.644 45 HA LYS 6 HA LYS 6 22.142 10.127 -0.901 46 HB2 LYS 6 1HB LYS 6 23.697 10.954 -2.677 47 HB3 LYS 6 2HB LYS 6 22.526 12.209 -3.058 48 HG2 LYS 6 1HG LYS 6 22.727 12.990 -0.686 49 HG3 LYS 6 2HG LYS 6 24.067 11.855 -0.501 50 HD2 LYS 6 1HD LYS 6 24.113 13.772 -2.783 51 HD3 LYS 6 2HD LYS 6 24.493 14.368 -1.165 52 HE2 LYS 6 1HE LYS 6 26.573 13.764 -1.990 53 HE3 LYS 6 2HE LYS 6 26.100 12.345 -1.057 54 HZ1 LYS 6 3HZ LYS 6 25.973 11.085 -2.888 55 HZ2 LYS 6 1HZ LYS 6 26.955 12.269 -3.592 56 HZ3 LYS 6 2HZ LYS 6 25.281 12.308 -3.830 57 H GLU 7 H GLU 7 20.332 10.408 0.302 58 HA GLU 7 HA GLU 7 18.315 12.333 -0.517 59 HB2 GLU 7 1HB GLU 7 17.656 10.154 0.459 60 HB3 GLU 7 2HB GLU 7 18.448 10.608 1.962 61 HG2 GLU 7 1HG GLU 7 16.863 12.672 1.846 62 HG3 GLU 7 2HG GLU 7 15.926 11.645 0.762 63 H GLU 8 H GLU 8 18.348 14.391 0.076 64 HA GLU 8 HA GLU 8 20.275 15.319 2.017 65 HB2 GLU 8 1HB GLU 8 18.466 16.583 0.020 66 HB3 GLU 8 2HB GLU 8 18.970 17.561 1.391 67 HG2 GLU 8 1HG GLU 8 20.578 18.061 -0.167 68 HG3 GLU 8 2HG GLU 8 21.355 16.775 0.755 69 HA PRO 9 HA PRO 9 17.687 15.757 5.531 70 HB2 PRO 9 1HB PRO 9 18.489 18.139 6.558 71 HB3 PRO 9 2HB PRO 9 19.485 16.681 6.623 72 HG2 PRO 9 1HG PRO 9 19.624 18.987 4.719 73 HG3 PRO 9 2HG PRO 9 20.945 18.121 5.526 74 HD2 PRO 9 1HD PRO 9 20.251 17.647 2.952 75 HD3 PRO 9 2HD PRO 9 20.895 16.380 4.016 76 H GLY 10 H GLY 10 16.235 17.429 6.707 77 HA2 GLY 10 1HA GLY 10 14.770 19.313 6.532 78 HA3 GLY 10 2HA GLY 10 14.925 19.227 4.783 79 H ILE 11 H ILE 11 13.083 18.329 7.490 80 HA ILE 11 HA ILE 11 11.451 16.515 5.837 81 HB ILE 11 HB ILE 11 11.511 16.649 8.853 82 HG12 ILE 11 1HG1 ILE 11 12.520 14.199 8.175 83 HG13 ILE 11 2HG1 ILE 11 13.200 15.217 6.910 84 HG21 ILE 11 1HG2 ILE 11 9.787 15.241 8.846 85 HG22 ILE 11 2HG2 ILE 11 9.606 15.604 7.130 86 HG23 ILE 11 3HG2 ILE 11 10.550 14.204 7.641 87 HD11 ILE 11 3HD1 ILE 11 14.401 16.503 8.424 88 HD12 ILE 11 1HD1 ILE 11 13.411 15.992 9.791 89 HD13 ILE 11 2HD1 ILE 11 14.549 14.863 9.055 90 H ALA 12 H ALA 12 9.443 17.120 5.343 91 HA ALA 12 HA ALA 12 8.301 19.430 6.775 92 HB1 ALA 12 1HB ALA 12 8.117 18.613 3.892 93 HB2 ALA 12 2HB ALA 12 6.970 19.739 4.621 94 HB3 ALA 12 3HB ALA 12 8.688 20.136 4.574 95 H LYS 13 H LYS 13 6.935 18.591 8.243 96 HA LYS 13 HA LYS 13 4.849 16.765 7.253 97 HB2 LYS 13 1HB LYS 13 4.901 15.488 9.249 98 HB3 LYS 13 2HB LYS 13 6.575 15.648 8.734 99 HG2 LYS 13 1HG LYS 13 6.828 17.520 10.352 100 HG3 LYS 13 2HG LYS 13 5.198 17.172 10.934 101 HD2 LYS 13 1HD LYS 13 6.667 16.055 12.411 102 HD3 LYS 13 2HD LYS 13 6.002 14.806 11.355 103 HE2 LYS 13 1HE LYS 13 7.990 14.495 10.248 104 HE3 LYS 13 2HE LYS 13 8.552 16.134 10.575 105 HZ1 LYS 13 3HZ LYS 13 9.704 15.339 12.272 106 HZ2 LYS 13 1HZ LYS 13 9.112 13.778 11.997 107 HZ3 LYS 13 2HZ LYS 13 8.276 14.831 13.023 108 H LYS 14 H LYS 14 2.778 17.063 8.075 109 HA LYS 14 HA LYS 14 2.341 19.678 9.322 110 HB2 LYS 14 1HB LYS 14 0.660 17.866 7.629 111 HB3 LYS 14 2HB LYS 14 -0.117 19.058 8.663 112 HG2 LYS 14 1HG LYS 14 1.150 20.836 7.553 113 HG3 LYS 14 2HG LYS 14 1.903 19.633 6.503 114 HD2 LYS 14 1HD LYS 14 0.160 20.454 5.200 115 HD3 LYS 14 2HD LYS 14 -0.522 18.982 5.895 116 HE2 LYS 14 1HE LYS 14 -0.886 21.517 7.395 117 HE3 LYS 14 2HE LYS 14 -1.820 21.303 5.916 118 HZ1 LYS 14 3HZ LYS 14 -3.234 20.303 7.336 119 HZ2 LYS 14 1HZ LYS 14 -2.033 19.915 8.462 120 HZ3 LYS 14 2HZ LYS 14 -2.237 18.961 7.081 121 H ILE 15 H ILE 15 1.950 19.766 11.425 122 HA ILE 15 HA ILE 15 0.826 17.390 12.751 123 HB ILE 15 HB ILE 15 1.795 18.282 14.841 124 HG12 ILE 15 1HG1 ILE 15 3.477 20.185 13.274 125 HG13 ILE 15 2HG1 ILE 15 1.846 20.683 13.710 126 HG21 ILE 15 1HG2 ILE 15 4.272 18.241 13.478 127 HG22 ILE 15 2HG2 ILE 15 3.479 16.928 14.347 128 HG23 ILE 15 3HG2 ILE 15 3.177 17.154 12.624 129 HD11 ILE 15 3HD1 ILE 15 2.343 20.864 15.907 130 HD12 ILE 15 1HD1 ILE 15 3.526 19.557 15.863 131 HD13 ILE 15 2HD1 ILE 15 3.953 21.154 15.249 132 H ASN 16 H ASN 16 -0.299 18.083 14.915 133 HA ASN 16 HA ASN 16 -1.920 20.490 14.524 134 HB2 ASN 16 1HB ASN 16 -3.024 18.308 13.623 135 HB3 ASN 16 2HB ASN 16 -3.269 17.929 15.326 136 HD21 ASN 16 2HD2 ASN 16 -4.074 20.098 12.724 137 HD22 ASN 16 1HD2 ASN 16 -5.460 20.804 13.476 138 H SER 17 H SER 17 0.213 19.306 16.402 139 HA SER 17 HA SER 17 -1.111 20.184 18.861 140 HG SER 17 HG SER 17 -0.057 17.822 20.982 141 HB2 SER 17 1HB SER 17 -1.270 17.902 19.274 142 HB3 SER 17 2HB SER 17 0.220 17.537 18.404 143 H VAL 18 H VAL 18 0.097 21.546 20.026 144 HA VAL 18 HA VAL 18 2.632 22.404 19.034 145 HB VAL 18 HB VAL 18 2.639 24.003 20.837 146 HG11 VAL 18 1HG1 VAL 18 -0.140 23.621 19.727 147 HG12 VAL 18 2HG1 VAL 18 0.472 25.105 20.461 148 HG13 VAL 18 3HG1 VAL 18 1.181 24.504 18.962 149 HG21 VAL 18 3HG2 VAL 18 1.005 22.005 22.144 150 HG22 VAL 18 1HG2 VAL 18 1.917 23.346 22.839 151 HG23 VAL 18 2HG2 VAL 18 0.276 23.608 22.248 152 H ASP 19 H ASP 19 1.656 19.979 21.212 153 HA ASP 19 HA ASP 19 3.807 19.941 23.017 154 HB2 ASP 19 1HB ASP 19 1.780 18.646 23.410 155 HB3 ASP 19 2HB ASP 19 2.109 17.658 21.990 156 H ASP 20 H ASP 20 3.413 18.546 19.806 157 HA ASP 20 HA ASP 20 5.970 17.204 19.904 158 HB2 ASP 20 1HB ASP 20 3.778 17.469 17.883 159 HB3 ASP 20 2HB ASP 20 5.375 16.947 17.352 160 H ILE 21 H ILE 21 6.648 19.651 20.496 161 HA ILE 21 HA ILE 21 7.798 20.736 18.012 162 HB ILE 21 HB ILE 21 6.763 22.325 20.362 163 HG12 ILE 21 1HG1 ILE 21 5.894 22.277 17.463 164 HG13 ILE 21 2HG1 ILE 21 5.032 21.508 18.791 165 HG21 ILE 21 1HG2 ILE 21 7.433 24.304 19.040 166 HG22 ILE 21 2HG2 ILE 21 8.804 23.321 19.553 167 HG23 ILE 21 3HG2 ILE 21 8.228 23.231 17.888 168 HD11 ILE 21 3HD1 ILE 21 3.997 23.608 18.197 169 HD12 ILE 21 1HD1 ILE 21 4.685 23.701 19.818 170 HD13 ILE 21 2HD1 ILE 21 5.519 24.458 18.460 171 H ILE 22 H ILE 22 9.912 21.415 18.097 172 HA ILE 22 HA ILE 22 11.315 21.133 20.665 173 HB ILE 22 HB ILE 22 13.250 20.143 19.394 174 HG12 ILE 22 1HG1 ILE 22 11.192 19.495 17.286 175 HG13 ILE 22 2HG1 ILE 22 12.277 20.873 17.146 176 HG21 ILE 22 1HG2 ILE 22 10.967 18.260 19.120 177 HG22 ILE 22 2HG2 ILE 22 12.552 18.017 19.851 178 HG23 ILE 22 3HG2 ILE 22 11.313 18.928 20.715 179 HD11 ILE 22 3HD1 ILE 22 14.042 18.901 17.672 180 HD12 ILE 22 1HD1 ILE 22 12.799 18.011 16.792 181 HD13 ILE 22 2HD1 ILE 22 13.572 19.413 16.051 182 H ILE 23 H ILE 23 13.772 21.856 20.160 183 HA ILE 23 HA ILE 23 13.587 24.642 19.582 184 HB ILE 23 HB ILE 23 16.004 22.897 20.061 185 HG12 ILE 23 1HG1 ILE 23 15.884 24.394 22.240 186 HG13 ILE 23 2HG1 ILE 23 14.182 24.503 21.803 187 HG21 ILE 23 1HG2 ILE 23 16.935 25.290 20.658 188 HG22 ILE 23 2HG2 ILE 23 16.987 24.671 19.009 189 HG23 ILE 23 3HG2 ILE 23 15.720 25.800 19.486 190 HD11 ILE 23 3HD1 ILE 23 14.875 22.678 23.432 191 HD12 ILE 23 1HD1 ILE 23 13.851 22.210 22.076 192 HD13 ILE 23 2HD1 ILE 23 15.580 21.865 22.035 193 H LYS 24 H LYS 24 14.404 21.829 17.744 194 HA LYS 24 HA LYS 24 15.601 23.410 15.601 195 HB2 LYS 24 1HB LYS 24 15.311 20.451 16.082 196 HB3 LYS 24 2HB LYS 24 15.830 21.089 14.527 197 HG2 LYS 24 1HG LYS 24 17.897 20.992 15.331 198 HG3 LYS 24 2HG LYS 24 17.468 22.385 16.327 199 HD2 LYS 24 1HD LYS 24 17.179 21.116 18.217 200 HD3 LYS 24 2HD LYS 24 16.763 19.662 17.307 201 HE2 LYS 24 1HE LYS 24 19.216 19.743 16.505 202 HE3 LYS 24 2HE LYS 24 19.464 20.834 17.867 203 HZ1 LYS 24 3HZ LYS 24 18.938 19.177 19.388 204 HZ2 LYS 24 1HZ LYS 24 19.859 18.355 18.231 205 HZ3 LYS 24 2HZ LYS 24 18.174 18.203 18.235 206 H CYS 25 H CYS 25 12.578 22.858 16.548 207 HA CYS 25 HA CYS 25 11.429 22.126 13.985 208 HG CYS 25 HG CYS 25 7.747 21.605 15.403 209 HB2 CYS 25 1HB CYS 25 10.279 21.194 15.831 210 HB3 CYS 25 2HB CYS 25 10.263 22.725 16.696 211 H GLN 26 H GLN 26 10.368 23.472 12.604 212 HA GLN 26 HA GLN 26 10.352 26.337 13.294 213 HB2 GLN 26 1HB GLN 26 10.936 25.076 10.609 214 HB3 GLN 26 2HB GLN 26 10.769 26.803 10.893 215 HG2 GLN 26 1HG GLN 26 12.701 26.778 12.354 216 HG3 GLN 26 2HG GLN 26 12.849 25.033 12.156 217 HE21 GLN 26 2HE2 GLN 26 12.645 27.978 10.188 218 HE22 GLN 26 1HE2 GLN 26 13.837 27.495 9.035 219 H CYS 27 H CYS 27 8.415 27.255 13.250 220 HA CYS 27 HA CYS 27 6.330 26.070 11.542 221 HG CYS 27 HG CYS 27 6.041 28.850 14.343 222 HB2 CYS 27 1HB CYS 27 4.679 26.403 13.263 223 HB3 CYS 27 2HB CYS 27 6.013 25.486 13.951 224 H TRP 28 H TRP 28 4.308 27.821 11.905 225 HA TRP 28 HA TRP 28 5.462 30.397 11.057 226 HD1 TRP 28 HD1 TRP 28 4.949 27.228 8.977 227 HE1 TRP 28 HE1 TRP 28 6.328 27.471 6.818 228 HE3 TRP 28 HE3 TRP 28 4.375 32.249 8.209 229 HZ2 TRP 28 HZ2 TRP 28 7.074 29.521 5.026 230 HZ3 TRP 28 HZ3 TRP 28 5.454 33.273 6.250 231 HH2 TRP 28 HH2 TRP 28 6.775 31.936 4.693 232 HB2 TRP 28 1HB TRP 28 3.041 28.915 10.037 233 HB3 TRP 28 2HB TRP 28 3.289 30.633 9.733 234 H VAL 29 H VAL 29 4.702 32.232 11.976 235 HA VAL 29 HA VAL 29 2.563 31.929 13.983 236 HB VAL 29 HB VAL 29 4.847 33.906 14.047 237 HG11 VAL 29 1HG1 VAL 29 3.437 34.991 15.409 238 HG12 VAL 29 2HG1 VAL 29 2.379 33.589 15.588 239 HG13 VAL 29 3HG1 VAL 29 3.834 33.729 16.575 240 HG21 VAL 29 3HG2 VAL 29 5.807 32.564 15.801 241 HG22 VAL 29 1HG2 VAL 29 4.448 31.442 15.739 242 HG23 VAL 29 2HG2 VAL 29 5.564 31.552 14.378 243 H GLN 30 H GLN 30 1.029 33.566 14.183 244 HA GLN 30 HA GLN 30 0.575 35.084 11.761 245 HB2 GLN 30 1HB GLN 30 -1.325 33.960 12.714 246 HB3 GLN 30 2HB GLN 30 -1.056 34.722 14.276 247 HG2 GLN 30 1HG GLN 30 -1.617 36.887 13.349 248 HG3 GLN 30 2HG GLN 30 -1.814 36.172 11.750 249 HE21 GLN 30 2HE2 GLN 30 -3.487 34.502 11.544 250 HE22 GLN 30 1HE2 GLN 30 -4.932 34.665 12.476 251 H LYS 31 H LYS 31 1.281 37.082 11.477 252 HA LYS 31 HA LYS 31 1.329 38.933 13.739 253 HB2 LYS 31 1HB LYS 31 3.693 38.090 12.110 254 HB3 LYS 31 2HB LYS 31 3.609 39.742 12.708 255 HG2 LYS 31 1HG LYS 31 3.356 37.323 14.476 256 HG3 LYS 31 2HG LYS 31 4.883 38.146 14.150 257 HD2 LYS 31 1HD LYS 31 2.570 39.769 15.088 258 HD3 LYS 31 2HD LYS 31 3.411 38.750 16.259 259 HE2 LYS 31 1HE LYS 31 4.710 40.589 16.478 260 HE3 LYS 31 2HE LYS 31 5.522 39.901 15.073 261 HZ1 LYS 31 3HZ LYS 31 5.014 41.714 13.937 262 HZ2 LYS 31 1HZ LYS 31 4.235 42.374 15.287 263 HZ3 LYS 31 2HZ LYS 31 3.362 41.440 14.178 264 H ASN 32 H ASN 32 0.485 40.840 13.203 265 HA ASN 32 HA ASN 32 -0.437 42.516 11.971 266 HB2 ASN 32 1HB ASN 32 2.073 42.678 11.391 267 HB3 ASN 32 2HB ASN 32 1.623 41.956 9.849 268 HD21 ASN 32 2HD2 ASN 32 2.355 43.883 8.846 269 HD22 ASN 32 1HD2 ASN 32 1.361 45.296 8.823 270 H ASP 33 H ASP 33 -1.869 40.280 11.722 271 HA ASP 33 HA ASP 33 -3.361 39.141 10.430 272 HB2 ASP 33 1HB ASP 33 -3.090 41.743 8.937 273 HB3 ASP 33 2HB ASP 33 -4.202 40.485 8.405 274 H GLU 34 H GLU 34 -0.492 38.722 9.933 275 HA GLU 34 HA GLU 34 -0.760 37.464 7.303 276 HB2 GLU 34 1HB GLU 34 1.364 39.406 8.139 277 HB3 GLU 34 2HB GLU 34 1.749 38.130 6.992 278 HG2 GLU 34 1HG GLU 34 -0.558 40.001 6.580 279 HG3 GLU 34 2HG GLU 34 1.077 40.387 6.047 280 H GLU 35 H GLU 35 1.293 36.024 6.933 281 HA GLU 35 HA GLU 35 1.831 34.603 9.459 282 HB2 GLU 35 1HB GLU 35 1.324 33.557 6.684 283 HB3 GLU 35 2HB GLU 35 2.142 32.583 7.897 284 HG2 GLU 35 1HG GLU 35 0.016 31.877 8.230 285 HG3 GLU 35 2HG GLU 35 0.037 33.245 9.342 286 H ARG 36 H ARG 36 3.889 34.469 10.057 287 HA ARG 36 HA ARG 36 5.973 34.827 8.005 288 HE ARG 36 HE ARG 36 7.753 37.997 10.820 289 HB2 ARG 36 1HB ARG 36 5.726 36.029 10.744 290 HB3 ARG 36 2HB ARG 36 7.309 35.802 10.012 291 HG2 ARG 36 1HG ARG 36 6.985 37.431 8.466 292 HG3 ARG 36 2HG ARG 36 5.243 37.162 8.385 293 HD2 ARG 36 1HD ARG 36 5.708 39.311 9.402 294 HD3 ARG 36 2HD ARG 36 4.994 38.220 10.588 295 HH11 ARG 36 1HH1 ARG 36 5.296 40.425 11.251 296 HH12 ARG 36 2HH1 ARG 36 6.168 41.277 12.482 297 HH21 ARG 36 1HH2 ARG 36 8.912 39.110 12.440 298 HH22 ARG 36 2HH2 ARG 36 8.226 40.528 13.156 299 H LEU 37 H LEU 37 7.692 33.459 8.056 300 HA LEU 37 HA LEU 37 7.420 31.001 9.434 301 HG LEU 37 HG LEU 37 9.821 29.764 9.406 302 HB2 LEU 37 1HB LEU 37 8.546 31.315 7.236 303 HB3 LEU 37 2HB LEU 37 9.878 32.102 8.081 304 HD11 LEU 37 1HD1 LEU 37 9.574 27.992 7.630 305 HD12 LEU 37 2HD1 LEU 37 8.750 29.206 6.652 306 HD13 LEU 37 3HD1 LEU 37 8.073 28.719 8.205 307 HD21 LEU 37 3HD2 LEU 37 11.561 31.055 7.809 308 HD22 LEU 37 1HD2 LEU 37 11.235 29.630 6.822 309 HD23 LEU 37 2HD2 LEU 37 11.847 29.442 8.466 310 H ALA 38 H ALA 38 7.698 30.784 11.552 311 HA ALA 38 HA ALA 38 9.873 32.286 12.852 312 HB1 ALA 38 1HB ALA 38 7.223 32.272 13.511 313 HB2 ALA 38 2HB ALA 38 7.885 31.063 14.612 314 HB3 ALA 38 3HB ALA 38 8.541 32.700 14.602 315 H GLU 39 H GLU 39 11.508 31.201 13.759 316 HA GLU 39 HA GLU 39 11.380 28.273 13.742 317 HB2 GLU 39 1HB GLU 39 13.248 29.124 12.517 318 HB3 GLU 39 2HB GLU 39 13.695 30.205 13.829 319 HG2 GLU 39 1HG GLU 39 14.391 28.377 15.194 320 HG3 GLU 39 2HG GLU 39 13.751 27.207 14.041 321 H ILE 40 H ILE 40 11.270 27.139 15.566 322 HA ILE 40 HA ILE 40 10.917 28.368 18.074 323 HB ILE 40 HB ILE 40 11.608 25.478 17.536 324 HG12 ILE 40 1HG1 ILE 40 9.624 26.282 16.266 325 HG13 ILE 40 2HG1 ILE 40 9.223 25.060 17.468 326 HG21 ILE 40 1HG2 ILE 40 11.037 26.983 19.946 327 HG22 ILE 40 2HG2 ILE 40 9.920 25.637 19.722 328 HG23 ILE 40 3HG2 ILE 40 11.658 25.343 19.760 329 HD11 ILE 40 3HD1 ILE 40 9.011 27.702 18.585 330 HD12 ILE 40 1HD1 ILE 40 8.034 27.548 17.125 331 HD13 ILE 40 2HD1 ILE 40 7.799 26.426 18.467 332 H LEU 41 H LEU 41 12.241 28.600 19.835 333 HA LEU 41 HA LEU 41 15.098 28.026 19.397 334 HG LEU 41 HG LEU 41 14.207 30.731 18.369 335 HB2 LEU 41 1HB LEU 41 13.749 30.355 20.729 336 HB3 LEU 41 2HB LEU 41 15.444 29.969 21.014 337 HD11 LEU 41 1HD1 LEU 41 15.944 32.634 18.728 338 HD12 LEU 41 2HD1 LEU 41 15.790 32.201 20.430 339 HD13 LEU 41 3HD1 LEU 41 14.371 32.720 19.520 340 HD21 LEU 41 3HD2 LEU 41 16.744 29.457 19.074 341 HD22 LEU 41 1HD2 LEU 41 16.917 30.910 18.088 342 HD23 LEU 41 2HD2 LEU 41 15.921 29.570 17.517 343 H SER 42 H SER 42 12.462 28.158 21.729 344 HA SER 42 HA SER 42 13.650 26.034 23.262 345 HG SER 42 HG SER 42 15.510 27.453 25.345 346 HB2 SER 42 1HB SER 42 14.366 28.605 24.017 347 HB3 SER 42 2HB SER 42 13.034 28.213 25.105 348 H ILE 43 H ILE 43 12.230 25.525 25.219 349 HA ILE 43 HA ILE 43 9.422 26.202 24.649 350 HB ILE 43 HB ILE 43 10.447 23.468 25.424 351 HG12 ILE 43 1HG1 ILE 43 9.111 24.272 22.840 352 HG13 ILE 43 2HG1 ILE 43 10.861 24.258 23.036 353 HG21 ILE 43 1HG2 ILE 43 8.295 23.843 26.400 354 HG22 ILE 43 2HG2 ILE 43 7.667 24.495 24.887 355 HG23 ILE 43 3HG2 ILE 43 8.086 22.786 25.004 356 HD11 ILE 43 3HD1 ILE 43 8.977 22.039 22.701 357 HD12 ILE 43 1HD1 ILE 43 10.676 22.173 22.247 358 HD13 ILE 43 2HD1 ILE 43 10.236 21.781 23.909 359 H ASN 44 H ASN 44 8.114 26.546 26.391 360 HA ASN 44 HA ASN 44 9.268 26.130 29.063 361 HB2 ASN 44 1HB ASN 44 9.543 28.495 28.458 362 HB3 ASN 44 2HB ASN 44 7.817 28.617 28.130 363 HD21 ASN 44 2HD2 ASN 44 7.109 29.955 29.655 364 HD22 ASN 44 1HD2 ASN 44 7.319 29.730 31.355 365 H THR 45 H THR 45 7.997 24.474 29.714 366 HA THR 45 HA THR 45 5.093 24.701 29.377 367 HB THR 45 HB THR 45 5.020 22.334 30.111 368 HG1 THR 45 HG1 THR 45 7.825 22.220 29.843 369 HG21 THR 45 3HG2 THR 45 7.050 22.247 27.973 370 HG22 THR 45 1HG2 THR 45 5.662 23.290 27.667 371 HG23 THR 45 2HG2 THR 45 5.420 21.578 28.016 372 H ARG 46 H ARG 46 5.431 26.508 31.075 373 HA ARG 46 HA ARG 46 5.171 25.314 33.757 374 HE ARG 46 HE ARG 46 6.816 24.250 34.538 375 HB2 ARG 46 1HB ARG 46 6.299 28.004 32.970 376 HB3 ARG 46 2HB ARG 46 5.959 27.528 34.628 377 HG2 ARG 46 1HG ARG 46 7.683 25.730 33.029 378 HG3 ARG 46 2HG ARG 46 8.361 27.280 33.531 379 HD2 ARG 46 1HD ARG 46 8.934 25.926 35.306 380 HD3 ARG 46 2HD ARG 46 7.414 26.624 35.866 381 HH11 ARG 46 1HH1 ARG 46 8.510 25.299 37.393 382 HH12 ARG 46 2HH1 ARG 46 8.202 23.838 38.271 383 HH21 ARG 46 1HH2 ARG 46 6.404 22.321 35.684 384 HH22 ARG 46 2HH2 ARG 46 7.005 22.144 37.298 385 H LYS 47 H LYS 47 3.316 26.318 31.413 386 HA LYS 47 HA LYS 47 1.339 27.484 33.230 387 HB2 LYS 47 1HB LYS 47 2.672 29.155 31.624 388 HB3 LYS 47 2HB LYS 47 1.451 28.614 30.480 389 HG2 LYS 47 1HG LYS 47 -0.262 29.609 31.621 390 HG3 LYS 47 2HG LYS 47 0.572 29.517 33.174 391 HD2 LYS 47 1HD LYS 47 2.191 31.230 32.266 392 HD3 LYS 47 2HD LYS 47 1.084 31.433 30.906 393 HE2 LYS 47 1HE LYS 47 -0.604 32.309 32.261 394 HE3 LYS 47 2HE LYS 47 0.120 31.670 33.736 395 HZ1 LYS 47 3HZ LYS 47 1.889 33.461 32.416 396 HZ2 LYS 47 1HZ LYS 47 1.288 33.520 33.996 397 HZ3 LYS 47 2HZ LYS 47 0.405 34.210 32.730 398 H ALA 48 H ALA 48 -0.839 27.695 31.912 399 HA ALA 48 HA ALA 48 -1.165 25.415 30.102 400 HB1 ALA 48 1HB ALA 48 -1.803 24.314 32.025 401 HB2 ALA 48 2HB ALA 48 -2.495 25.764 32.753 402 HB3 ALA 48 3HB ALA 48 -3.345 24.943 31.445 403 HA PRO 49 HA PRO 49 -1.535 25.194 28.270 404 HB2 PRO 49 1HB PRO 49 -0.999 26.472 25.936 405 HB3 PRO 49 2HB PRO 49 -2.513 25.610 26.233 406 HG2 PRO 49 1HG PRO 49 -1.937 28.542 26.409 407 HG3 PRO 49 2HG PRO 49 -3.343 27.718 25.710 408 HD2 PRO 49 1HD PRO 49 -3.390 28.847 28.171 409 HD3 PRO 49 2HD PRO 49 -4.336 27.401 27.765 410 HA PRO 50 HA PRO 50 2.555 26.597 29.071 411 HB2 PRO 50 1HB PRO 50 4.003 25.248 27.213 412 HB3 PRO 50 2HB PRO 50 3.273 24.462 28.618 413 HG2 PRO 50 1HG PRO 50 2.288 24.590 25.793 414 HG3 PRO 50 2HG PRO 50 2.313 23.211 26.908 415 HD2 PRO 50 1HD PRO 50 0.077 24.665 26.439 416 HD3 PRO 50 2HD PRO 50 0.410 23.906 28.008 417 H LYS 51 H LYS 51 4.633 27.347 27.810 418 HA LYS 51 HA LYS 51 3.788 29.178 25.661 419 HB2 LYS 51 1HB LYS 51 5.472 29.671 28.089 420 HB3 LYS 51 2HB LYS 51 5.764 30.608 26.629 421 HG2 LYS 51 1HG LYS 51 3.363 31.274 26.661 422 HG3 LYS 51 2HG LYS 51 3.217 30.471 28.226 423 HD2 LYS 51 1HD LYS 51 4.481 32.051 29.306 424 HD3 LYS 51 2HD LYS 51 5.393 32.469 27.854 425 HE2 LYS 51 1HE LYS 51 2.469 33.097 28.118 426 HE3 LYS 51 2HE LYS 51 3.707 34.180 28.752 427 HZ1 LYS 51 3HZ LYS 51 2.789 33.940 26.113 428 HZ2 LYS 51 1HZ LYS 51 4.422 33.498 26.143 429 HZ3 LYS 51 2HZ LYS 51 3.945 35.010 26.730 430 H PHE 52 H PHE 52 5.486 29.816 24.167 431 HA PHE 52 HA PHE 52 7.803 28.029 24.077 432 HD1 PHE 52 HD1 PHE 52 4.053 27.642 23.237 433 HD2 PHE 52 HD2 PHE 52 7.471 25.282 22.309 434 HE1 PHE 52 HE1 PHE 52 2.829 25.613 23.902 435 HE2 PHE 52 HE2 PHE 52 6.253 23.250 22.971 436 HZ PHE 52 HZ PHE 52 3.928 23.414 23.768 437 HB2 PHE 52 1HB PHE 52 5.916 28.457 21.750 438 HB3 PHE 52 2HB PHE 52 7.418 27.540 21.699 439 H TYR 53 H TYR 53 9.581 28.836 22.935 440 HA TYR 53 HA TYR 53 9.493 31.734 22.511 441 HD1 TYR 53 HD1 TYR 53 10.273 33.191 23.749 442 HD2 TYR 53 HD2 TYR 53 13.912 31.454 22.393 443 HE1 TYR 53 HE1 TYR 53 11.348 35.402 23.821 444 HE2 TYR 53 HE2 TYR 53 14.998 33.660 22.462 445 HH TYR 53 HH TYR 53 13.650 36.324 24.024 446 HB2 TYR 53 1HB TYR 53 11.206 30.479 24.040 447 HB3 TYR 53 2HB TYR 53 12.024 30.126 22.522 448 H VAL 54 H VAL 54 9.229 32.412 20.499 449 HA VAL 54 HA VAL 54 10.298 30.771 18.298 450 HB VAL 54 HB VAL 54 8.660 32.043 16.860 451 HG11 VAL 54 1HG1 VAL 54 7.166 30.549 18.973 452 HG12 VAL 54 2HG1 VAL 54 6.983 30.496 17.218 453 HG13 VAL 54 3HG1 VAL 54 8.366 29.715 17.987 454 HG21 VAL 54 3HG2 VAL 54 8.256 33.937 18.311 455 HG22 VAL 54 1HG2 VAL 54 6.743 33.078 18.022 456 HG23 VAL 54 2HG2 VAL 54 7.591 32.879 19.556 457 H HIS 55 H HIS 55 11.242 31.859 16.491 458 HA HIS 55 HA HIS 55 12.059 34.636 16.955 459 HD1 HIS 55 HD1 HIS 55 13.923 35.964 15.775 460 HD2 HIS 55 HD2 HIS 55 16.176 32.520 15.203 461 HE1 HIS 55 HE1 HIS 55 15.783 36.628 14.220 462 HB2 HIS 55 1HB HIS 55 13.991 33.601 17.738 463 HB3 HIS 55 2HB HIS 55 13.855 32.262 16.602 464 H TYR 56 H TYR 56 11.807 35.854 15.201 465 HA TYR 56 HA TYR 56 10.917 34.684 12.744 466 HD1 TYR 56 HD2 TYR 56 10.609 37.625 15.564 467 HD2 TYR 56 HD1 TYR 56 8.399 36.318 12.171 468 HE1 TYR 56 HE2 TYR 56 8.520 37.863 16.840 469 HE2 TYR 56 HE1 TYR 56 6.304 36.554 13.437 470 HH TYR 56 HH TYR 56 6.282 37.174 16.854 471 HB2 TYR 56 1HB TYR 56 11.626 37.563 13.347 472 HB3 TYR 56 2HB TYR 56 10.716 36.988 11.954 473 H VAL 57 H VAL 57 12.340 33.677 11.475 474 HA VAL 57 HA VAL 57 15.100 34.158 11.382 475 HB VAL 57 HB VAL 57 13.435 32.961 9.167 476 HG11 VAL 57 1HG1 VAL 57 16.348 32.933 9.856 477 HG12 VAL 57 2HG1 VAL 57 15.628 31.606 8.941 478 HG13 VAL 57 3HG1 VAL 57 15.570 33.251 8.306 479 HG21 VAL 57 3HG2 VAL 57 14.133 31.956 11.842 480 HG22 VAL 57 1HG2 VAL 57 12.818 31.495 10.761 481 HG23 VAL 57 2HG2 VAL 57 14.436 30.837 10.513 482 H ASN 58 H ASN 58 12.439 35.644 9.702 483 HA ASN 58 HA ASN 58 13.941 36.824 7.600 484 HB2 ASN 58 1HB ASN 58 11.307 36.519 8.022 485 HB3 ASN 58 2HB ASN 58 11.484 38.184 8.568 486 HD21 ASN 58 2HD2 ASN 58 12.927 36.279 5.944 487 HD22 ASN 58 1HD2 ASN 58 12.511 37.385 4.685 488 H TYR 59 H TYR 59 13.507 37.589 10.922 489 HA TYR 59 HA TYR 59 14.833 40.187 10.499 490 HD1 TYR 59 HD1 TYR 59 11.128 38.804 11.173 491 HD2 TYR 59 HD2 TYR 59 12.991 42.627 11.021 492 HE1 TYR 59 HE1 TYR 59 9.260 39.654 9.817 493 HE2 TYR 59 HE2 TYR 59 11.127 43.487 9.665 494 HH TYR 59 HH TYR 59 8.222 41.674 9.173 495 HB2 TYR 59 1HB TYR 59 12.937 39.410 12.724 496 HB3 TYR 59 2HB TYR 59 13.757 40.961 12.576 497 H ASN 60 H ASN 60 15.657 40.818 12.965 498 HA ASN 60 HA ASN 60 17.849 39.005 13.371 499 HB2 ASN 60 1HB ASN 60 17.045 41.659 14.511 500 HB3 ASN 60 2HB ASN 60 18.290 40.708 15.316 501 HD21 ASN 60 2HD2 ASN 60 17.522 42.732 12.678 502 HD22 ASN 60 1HD2 ASN 60 19.084 42.748 11.939 503 H LYS 61 H LYS 61 18.467 38.500 15.734 504 HA LYS 61 HA LYS 61 16.423 36.827 16.808 505 HB2 LYS 61 1HB LYS 61 19.192 37.560 17.749 506 HB3 LYS 61 2HB LYS 61 18.143 36.483 18.662 507 HG2 LYS 61 1HG LYS 61 19.490 35.048 17.427 508 HG3 LYS 61 2HG LYS 61 17.986 35.114 16.505 509 HD2 LYS 61 1HD LYS 61 18.921 36.464 14.849 510 HD3 LYS 61 2HD LYS 61 20.254 36.975 15.887 511 HE2 LYS 61 1HE LYS 61 21.069 35.430 14.219 512 HE3 LYS 61 2HE LYS 61 21.152 34.679 15.812 513 HZ1 LYS 61 3HZ LYS 61 18.857 33.734 15.169 514 HZ2 LYS 61 1HZ LYS 61 20.246 33.025 14.514 515 HZ3 LYS 61 2HZ LYS 61 19.322 34.091 13.582 516 H ARG 62 H ARG 62 17.048 40.097 17.133 517 HA ARG 62 HA ARG 62 16.271 40.389 19.889 518 HE ARG 62 HE ARG 62 17.529 44.619 18.616 519 HB2 ARG 62 1HB ARG 62 16.303 42.800 19.412 520 HB3 ARG 62 2HB ARG 62 17.779 42.011 18.871 521 HG2 ARG 62 1HG ARG 62 16.357 41.878 16.606 522 HG3 ARG 62 2HG ARG 62 15.652 43.332 17.314 523 HD2 ARG 62 1HD ARG 62 18.578 42.826 16.786 524 HD3 ARG 62 2HD ARG 62 17.522 43.912 15.882 525 HH11 ARG 62 1HH1 ARG 62 19.529 44.723 15.768 526 HH12 ARG 62 2HH1 ARG 62 20.408 46.126 16.278 527 HH21 ARG 62 1HH2 ARG 62 18.679 46.467 19.298 528 HH22 ARG 62 2HH2 ARG 62 19.924 47.117 18.287 529 H LEU 63 H LEU 63 14.578 39.540 17.223 530 HA LEU 63 HA LEU 63 12.169 41.052 17.929 531 HG LEU 63 HG LEU 63 10.742 41.604 16.134 532 HB2 LEU 63 1HB LEU 63 13.264 40.114 15.492 533 HB3 LEU 63 2HB LEU 63 11.745 39.260 15.752 534 HD11 LEU 63 1HD1 LEU 63 12.906 42.766 16.290 535 HD12 LEU 63 2HD1 LEU 63 11.878 43.421 15.017 536 HD13 LEU 63 3HD1 LEU 63 13.226 42.362 14.604 537 HD21 LEU 63 3HD2 LEU 63 9.842 40.971 14.204 538 HD22 LEU 63 1HD2 LEU 63 11.291 40.072 13.754 539 HD23 LEU 63 2HD2 LEU 63 11.172 41.793 13.386 540 H ASP 64 H ASP 64 13.598 37.937 18.189 541 HA ASP 64 HA ASP 64 11.439 36.226 18.319 542 HB2 ASP 64 1HB ASP 64 12.807 34.797 19.735 543 HB3 ASP 64 2HB ASP 64 13.804 35.515 18.473 544 H GLU 65 H GLU 65 10.336 35.295 20.184 545 HA GLU 65 HA GLU 65 10.271 36.652 22.684 546 HB2 GLU 65 1HB GLU 65 7.883 37.439 22.460 547 HB3 GLU 65 2HB GLU 65 9.075 38.374 21.568 548 HG2 GLU 65 1HG GLU 65 8.469 37.024 19.542 549 HG3 GLU 65 2HG GLU 65 7.133 36.357 20.479 550 H TRP 66 H TRP 66 8.078 35.958 23.859 551 HA TRP 66 HA TRP 66 7.912 33.057 23.467 552 HD1 TRP 66 HD1 TRP 66 9.556 35.893 25.919 553 HE1 TRP 66 HE1 TRP 66 11.804 34.979 26.778 554 HE3 TRP 66 HE3 TRP 66 8.433 30.906 25.987 555 HZ2 TRP 66 HZ2 TRP 66 12.950 32.476 27.400 556 HZ3 TRP 66 HZ3 TRP 66 10.161 29.318 26.726 557 HH2 TRP 66 HH2 TRP 66 12.372 30.088 27.417 558 HB2 TRP 66 1HB TRP 66 7.093 34.741 25.844 559 HB3 TRP 66 2HB TRP 66 7.046 32.982 25.766 560 H ILE 67 H ILE 67 6.287 32.490 22.167 561 HA ILE 67 HA ILE 67 3.741 33.942 22.356 562 HB ILE 67 HB ILE 67 3.159 32.875 20.220 563 HG12 ILE 67 1HG1 ILE 67 5.991 31.837 20.133 564 HG13 ILE 67 2HG1 ILE 67 4.637 30.845 20.663 565 HG21 ILE 67 1HG2 ILE 67 4.509 34.235 18.850 566 HG22 ILE 67 2HG2 ILE 67 4.438 35.057 20.407 567 HG23 ILE 67 3HG2 ILE 67 5.874 34.136 19.961 568 HD11 ILE 67 3HD1 ILE 67 5.117 30.383 18.362 569 HD12 ILE 67 1HD1 ILE 67 3.565 31.214 18.471 570 HD13 ILE 67 2HD1 ILE 67 5.003 32.094 17.953 571 H THR 68 H THR 68 1.751 32.599 22.079 572 HA THR 68 HA THR 68 1.990 30.148 23.691 573 HB THR 68 HB THR 68 -0.630 30.627 23.843 574 HG1 THR 68 HG1 THR 68 -1.117 32.751 23.673 575 HG21 THR 68 3HG2 THR 68 0.660 30.419 25.812 576 HG22 THR 68 1HG2 THR 68 -0.111 32.001 25.920 577 HG23 THR 68 2HG2 THR 68 1.585 31.877 25.453 578 H THR 69 H THR 69 0.008 28.637 23.267 579 HA THR 69 HA THR 69 0.312 27.475 20.768 580 HB THR 69 HB THR 69 -1.654 26.131 21.263 581 HG1 THR 69 HG1 THR 69 -2.810 26.690 23.273 582 HG21 THR 69 3HG2 THR 69 -0.238 26.625 23.874 583 HG22 THR 69 1HG2 THR 69 0.530 25.801 22.517 584 HG23 THR 69 2HG2 THR 69 -0.911 25.112 23.267 585 H ASP 70 H ASP 70 -2.203 29.703 21.901 586 HA ASP 70 HA ASP 70 -3.742 29.679 19.537 587 HB2 ASP 70 1HB ASP 70 -3.484 31.868 21.611 588 HB3 ASP 70 2HB ASP 70 -4.769 31.732 20.414 589 H ARG 71 H ARG 71 -0.698 31.002 20.205 590 HA ARG 71 HA ARG 71 -0.915 33.002 18.074 591 HE ARG 71 HE ARG 71 0.715 36.171 22.607 592 HB2 ARG 71 1HB ARG 71 1.204 32.490 20.162 593 HB3 ARG 71 2HB ARG 71 1.392 33.659 18.863 594 HG2 ARG 71 1HG ARG 71 -0.885 34.578 19.784 595 HG3 ARG 71 2HG ARG 71 -0.373 33.746 21.254 596 HD2 ARG 71 1HD ARG 71 1.829 34.975 21.015 597 HD3 ARG 71 2HD ARG 71 1.041 35.954 19.779 598 HH11 ARG 71 1HH1 ARG 71 -0.894 36.602 19.550 599 HH12 ARG 71 2HH1 ARG 71 -1.993 37.800 20.149 600 HH21 ARG 71 1HH2 ARG 71 -0.726 37.747 23.408 601 HH22 ARG 71 2HH2 ARG 71 -1.896 38.451 22.344 602 H ILE 72 H ILE 72 -0.580 29.901 17.978 603 HA ILE 72 HA ILE 72 1.725 29.886 16.143 604 HB ILE 72 HB ILE 72 0.503 27.570 17.648 605 HG12 ILE 72 1HG1 ILE 72 3.288 28.672 17.958 606 HG13 ILE 72 2HG1 ILE 72 1.940 29.304 18.897 607 HG21 ILE 72 1HG2 ILE 72 2.879 27.653 15.794 608 HG22 ILE 72 2HG2 ILE 72 2.371 26.261 16.749 609 HG23 ILE 72 3HG2 ILE 72 1.328 26.879 15.468 610 HD11 ILE 72 3HD1 ILE 72 2.557 27.749 20.376 611 HD12 ILE 72 1HD1 ILE 72 1.667 26.647 19.326 612 HD13 ILE 72 2HD1 ILE 72 3.417 26.794 19.169 613 H ASN 73 H ASN 73 1.513 29.006 14.108 614 HA ASN 73 HA ASN 73 -1.248 28.665 13.185 615 HB2 ASN 73 1HB ASN 73 0.237 30.355 12.073 616 HB3 ASN 73 2HB ASN 73 1.250 29.026 11.519 617 HD21 ASN 73 2HD2 ASN 73 -1.208 31.038 10.685 618 HD22 ASN 73 1HD2 ASN 73 -1.918 30.112 9.410 619 H LEU 74 H LEU 74 -1.872 26.598 13.349 620 HA LEU 74 HA LEU 74 0.008 24.457 12.714 621 HG LEU 74 HG LEU 74 -1.610 23.202 15.788 622 HB2 LEU 74 1HB LEU 74 -2.599 24.636 14.133 623 HB3 LEU 74 2HB LEU 74 -2.160 23.101 13.386 624 HD11 LEU 74 1HD1 LEU 74 0.023 22.355 13.659 625 HD12 LEU 74 2HD1 LEU 74 0.000 21.755 15.317 626 HD13 LEU 74 3HD1 LEU 74 1.093 23.065 14.870 627 HD21 LEU 74 3HD2 LEU 74 -0.348 24.809 16.743 628 HD22 LEU 74 1HD2 LEU 74 -0.898 25.764 15.367 629 HD23 LEU 74 2HD2 LEU 74 0.687 24.992 15.326 630 H ASP 75 H ASP 75 -1.366 26.320 10.740 631 HA ASP 75 HA ASP 75 -2.856 24.353 9.156 632 HB2 ASP 75 1HB ASP 75 -2.811 27.312 9.308 633 HB3 ASP 75 2HB ASP 75 -3.060 26.620 7.707 634 H LYS 76 H LYS 76 0.162 25.981 9.329 635 HA LYS 76 HA LYS 76 0.822 25.293 6.557 636 HB2 LYS 76 1HB LYS 76 1.906 27.214 8.556 637 HB3 LYS 76 2HB LYS 76 3.034 26.541 7.386 638 HG2 LYS 76 1HG LYS 76 2.395 28.205 6.056 639 HG3 LYS 76 2HG LYS 76 0.911 27.279 5.815 640 HD2 LYS 76 1HD LYS 76 -0.287 28.567 7.334 641 HD3 LYS 76 2HD LYS 76 1.172 29.147 8.141 642 HE2 LYS 76 1HE LYS 76 1.324 30.905 6.779 643 HE3 LYS 76 2HE LYS 76 1.128 29.897 5.347 644 HZ1 LYS 76 3HZ LYS 76 -0.639 31.714 6.044 645 HZ2 LYS 76 1HZ LYS 76 -1.258 30.420 6.941 646 HZ3 LYS 76 2HZ LYS 76 -1.087 30.280 5.265 647 H GLU 77 H GLU 77 2.500 23.920 6.025 648 HA GLU 77 HA GLU 77 2.964 21.700 7.599 649 HB2 GLU 77 1HB GLU 77 4.909 22.773 5.554 650 HB3 GLU 77 2HB GLU 77 4.706 21.100 6.055 651 HG2 GLU 77 1HG GLU 77 2.379 21.207 5.130 652 HG3 GLU 77 2HG GLU 77 2.798 22.779 4.453 653 H VAL 78 H VAL 78 4.764 20.968 8.803 654 HA VAL 78 HA VAL 78 6.291 23.150 10.056 655 HB VAL 78 HB VAL 78 5.594 20.418 11.141 656 HG11 VAL 78 1HG1 VAL 78 7.214 22.659 12.341 657 HG12 VAL 78 2HG1 VAL 78 6.600 21.278 13.252 658 HG13 VAL 78 3HG1 VAL 78 7.766 21.030 11.952 659 HG21 VAL 78 3HG2 VAL 78 4.542 23.180 11.634 660 HG22 VAL 78 1HG2 VAL 78 3.655 21.688 11.318 661 HG23 VAL 78 2HG2 VAL 78 4.435 21.936 12.880 662 H LEU 79 H LEU 79 8.498 23.007 10.290 663 HA LEU 79 HA LEU 79 9.801 20.948 8.651 664 HG LEU 79 HG LEU 79 11.377 21.743 7.127 665 HB2 LEU 79 1HB LEU 79 10.174 23.772 8.981 666 HB3 LEU 79 2HB LEU 79 11.661 22.922 9.399 667 HD11 LEU 79 1HD1 LEU 79 9.171 23.654 7.087 668 HD12 LEU 79 2HD1 LEU 79 9.452 22.220 6.100 669 HD13 LEU 79 3HD1 LEU 79 10.220 23.748 5.671 670 HD21 LEU 79 3HD2 LEU 79 12.303 24.490 7.722 671 HD22 LEU 79 1HD2 LEU 79 12.180 24.036 6.022 672 HD23 LEU 79 2HD2 LEU 79 13.196 23.095 7.114 673 H TYR 80 H TYR 80 11.029 19.436 9.565 674 HA TYR 80 HA TYR 80 11.886 19.839 12.356 675 HD1 TYR 80 HD2 TYR 80 10.843 18.068 14.570 676 HD2 TYR 80 HD1 TYR 80 8.593 18.252 10.963 677 HE1 TYR 80 HE2 TYR 80 8.793 18.447 15.875 678 HE2 TYR 80 HE1 TYR 80 6.537 18.633 12.258 679 HH TYR 80 HH TYR 80 5.937 17.941 15.002 680 HB2 TYR 80 1HB TYR 80 10.854 17.368 10.976 681 HB3 TYR 80 2HB TYR 80 11.783 17.279 12.468 682 HA PRO 81 HA PRO 81 16.040 19.083 11.162 683 HB2 PRO 81 1HB PRO 81 16.995 17.733 13.315 684 HB3 PRO 81 2HB PRO 81 16.622 19.460 13.352 685 HG2 PRO 81 1HG PRO 81 14.987 17.148 14.323 686 HG3 PRO 81 2HG PRO 81 15.276 18.717 15.097 687 HD2 PRO 81 1HD PRO 81 12.997 18.156 13.747 688 HD3 PRO 81 2HD PRO 81 13.696 19.787 13.804 689 H LYS 82 H LYS 82 17.453 17.527 10.340 690 HA LYS 82 HA LYS 82 16.341 14.804 10.152 691 HB2 LYS 82 1HB LYS 82 16.297 15.999 8.008 692 HB3 LYS 82 2HB LYS 82 18.026 16.297 8.133 693 HG2 LYS 82 1HG LYS 82 18.264 14.450 6.917 694 HG3 LYS 82 2HG LYS 82 17.871 13.573 8.398 695 HD2 LYS 82 1HD LYS 82 15.575 13.404 7.778 696 HD3 LYS 82 2HD LYS 82 15.796 14.519 6.428 697 HE2 LYS 82 1HE LYS 82 15.670 12.214 5.646 698 HE3 LYS 82 2HE LYS 82 17.262 12.901 5.330 699 HZ1 LYS 82 3HZ LYS 82 16.532 11.020 7.506 700 HZ2 LYS 82 1HZ LYS 82 18.037 11.785 7.383 701 HZ3 LYS 82 2HZ LYS 82 17.535 10.706 6.181 702 H LEU 83 H LEU 83 17.522 13.241 11.028 703 HA LEU 83 HA LEU 83 20.387 13.746 11.495 704 HG LEU 83 HG LEU 83 18.316 14.533 13.490 705 HB2 LEU 83 1HB LEU 83 18.481 12.024 13.073 706 HB3 LEU 83 2HB LEU 83 20.206 12.195 13.394 707 HD11 LEU 83 1HD1 LEU 83 18.412 14.183 15.987 708 HD12 LEU 83 2HD1 LEU 83 19.007 12.558 15.649 709 HD13 LEU 83 3HD1 LEU 83 17.409 13.046 15.086 710 HD21 LEU 83 3HD2 LEU 83 20.445 15.392 13.446 711 HD22 LEU 83 1HD2 LEU 83 21.144 13.996 14.266 712 HD23 LEU 83 2HD2 LEU 83 20.209 15.179 15.181 713 H LYS 84 H LYS 84 21.803 12.415 10.570 714 HA LYS 84 HA LYS 84 20.773 10.019 9.223 715 HB2 LYS 84 1HB LYS 84 22.801 10.127 7.852 716 HB3 LYS 84 2HB LYS 84 21.906 11.640 7.784 717 HG2 LYS 84 1HG LYS 84 24.021 11.461 9.834 718 HG3 LYS 84 2HG LYS 84 24.551 11.505 8.151 719 HD2 LYS 84 1HD LYS 84 22.721 13.479 8.115 720 HD3 LYS 84 2HD LYS 84 23.257 13.591 9.794 721 HE2 LYS 84 1HE LYS 84 25.578 13.770 9.034 722 HE3 LYS 84 2HE LYS 84 25.039 13.660 7.359 723 HZ1 LYS 84 3HZ LYS 84 23.850 15.718 7.609 724 HZ2 LYS 84 1HZ LYS 84 25.456 15.954 8.086 725 HZ3 LYS 84 2HZ LYS 84 24.240 15.804 9.253 726 H ALA 85 H ALA 85 22.121 8.084 9.214 727 HA ALA 85 HA ALA 85 23.108 7.509 11.865 728 HB1 ALA 85 1HB ALA 85 23.466 5.205 10.875 729 HB2 ALA 85 2HB ALA 85 21.805 5.797 10.899 730 HB3 ALA 85 3HB ALA 85 22.731 5.832 9.399 731 H THR 86 H THR 86 25.107 8.068 12.416 732 HA THR 86 HA THR 86 27.278 7.568 10.489 733 HB THR 86 HB THR 86 28.458 9.543 11.227 734 HG1 THR 86 HG1 THR 86 26.204 10.160 12.855 735 HG21 THR 86 3HG2 THR 86 25.992 9.595 9.836 736 HG22 THR 86 1HG2 THR 86 27.347 10.714 9.693 737 HG23 THR 86 2HG2 THR 86 26.055 11.036 10.850 738 H ASP 87 H ASP 87 29.475 7.896 11.862 739 HA ASP 87 HA ASP 87 29.186 6.402 14.379 740 HB2 ASP 87 1HB ASP 87 30.844 5.715 11.985 741 HB3 ASP 87 2HB ASP 87 31.446 5.303 13.588 742 H GLU 88 H GLU 88 31.038 6.585 15.819 743 HA GLU 88 HA GLU 88 32.379 9.182 15.492 744 HB2 GLU 88 1HB GLU 88 31.502 7.622 17.902 745 HB3 GLU 88 2HB GLU 88 32.767 8.835 18.041 746 HG2 GLU 88 1HG GLU 88 30.126 9.492 16.799 747 HG3 GLU 88 2HG GLU 88 30.350 9.517 18.547 748 H ASP 89 H ASP 89 34.376 8.974 14.729 749 HA ASP 89 HA ASP 89 36.105 6.904 15.908 750 HB2 ASP 89 1HB ASP 89 35.905 7.709 13.003 751 HB3 ASP 89 2HB ASP 89 37.249 6.778 13.657 Start of MODEL 6 1 H1 GLY -2 H GLY -2 17.764 2.143 15.036 2 HA2 GLY -2 1HA GLY -2 17.188 4.558 14.472 3 HA3 GLY -2 2HA GLY -2 16.469 4.582 16.075 4 H SER -1 H SER -1 19.036 5.639 14.465 5 HA SER -1 HA SER -1 20.596 6.000 16.849 6 HG SER -1 HG SER -1 20.848 2.945 16.130 7 HB2 SER -1 1HB SER -1 21.632 4.252 14.612 8 HB3 SER -1 2HB SER -1 22.690 5.023 15.795 9 H HIS 0 H HIS 0 22.074 7.681 16.677 10 HA HIS 0 HA HIS 0 21.845 9.254 14.205 11 HD1 HIS 0 HD1 HIS 0 21.055 10.811 18.608 12 HD2 HIS 0 HD2 HIS 0 19.373 9.909 14.918 13 HE1 HIS 0 HE1 HIS 0 18.570 10.780 18.992 14 HB2 HIS 0 1HB HIS 0 22.776 10.239 16.904 15 HB3 HIS 0 2HB HIS 0 22.292 11.208 15.515 16 H MET 1 H MET 1 23.506 7.747 13.319 17 HA MET 1 HA MET 1 26.180 8.808 13.899 18 HB2 MET 1 1HB MET 1 27.051 6.447 13.466 19 HB3 MET 1 2HB MET 1 26.276 6.738 15.018 20 HG2 MET 1 1HG MET 1 24.206 5.744 14.154 21 HG3 MET 1 2HG MET 1 25.018 5.417 12.625 22 HE1 MET 1 3HE MET 1 27.989 3.281 13.864 23 HE2 MET 1 1HE MET 1 26.894 2.920 12.529 24 HE3 MET 1 2HE MET 1 27.447 4.574 12.793 25 H SER 2 H SER 2 24.851 9.877 11.894 26 HA SER 2 HA SER 2 26.049 8.643 9.507 27 HG SER 2 HG SER 2 23.692 8.977 7.331 28 HB2 SER 2 1HB SER 2 23.742 8.151 9.251 29 HB3 SER 2 2HB SER 2 23.259 9.750 9.819 30 H HIS 3 H HIS 3 27.313 9.974 8.386 31 HA HIS 3 HA HIS 3 27.380 12.795 9.132 32 HD1 HIS 3 HD1 HIS 3 31.645 12.469 7.202 33 HD2 HIS 3 HD2 HIS 3 28.467 14.809 8.499 34 HE1 HIS 3 HE1 HIS 3 32.420 14.849 6.960 35 HB2 HIS 3 1HB HIS 3 29.483 11.463 9.088 36 HB3 HIS 3 2HB HIS 3 29.272 11.243 7.354 37 H ASP 4 H ASP 4 27.729 11.048 6.040 38 HA ASP 4 HA ASP 4 25.838 12.920 4.819 39 HB2 ASP 4 1HB ASP 4 28.406 13.499 4.526 40 HB3 ASP 4 2HB ASP 4 28.311 12.257 3.281 41 H GLY 5 H GLY 5 25.478 12.198 2.419 42 HA2 GLY 5 1HA GLY 5 25.894 9.563 1.603 43 HA3 GLY 5 2HA GLY 5 24.389 9.590 2.510 44 H LYS 6 H LYS 6 25.637 12.170 0.455 45 HA LYS 6 HA LYS 6 24.801 13.178 -1.405 46 HB2 LYS 6 1HB LYS 6 24.381 10.314 -1.831 47 HB3 LYS 6 2HB LYS 6 23.256 11.318 -2.735 48 HG2 LYS 6 1HG LYS 6 24.988 11.096 -4.223 49 HG3 LYS 6 2HG LYS 6 25.395 12.621 -3.432 50 HD2 LYS 6 1HD LYS 6 26.957 11.467 -1.968 51 HD3 LYS 6 2HD LYS 6 26.515 9.917 -2.689 52 HE2 LYS 6 1HE LYS 6 28.489 10.476 -3.784 53 HE3 LYS 6 2HE LYS 6 27.238 10.993 -4.914 54 HZ1 LYS 6 3HZ LYS 6 27.541 13.221 -3.536 55 HZ2 LYS 6 1HZ LYS 6 28.482 12.862 -4.895 56 HZ3 LYS 6 2HZ LYS 6 29.100 12.593 -3.343 57 H GLU 7 H GLU 7 23.165 12.815 1.144 58 HA GLU 7 HA GLU 7 20.686 13.884 0.019 59 HB2 GLU 7 1HB GLU 7 20.752 11.300 0.881 60 HB3 GLU 7 2HB GLU 7 20.288 12.135 2.357 61 HG2 GLU 7 1HG GLU 7 18.815 12.958 -0.041 62 HG3 GLU 7 2HG GLU 7 18.562 11.286 0.457 63 H GLU 8 H GLU 8 19.869 15.570 1.137 64 HA GLU 8 HA GLU 8 21.302 16.356 3.577 65 HB2 GLU 8 1HB GLU 8 20.028 17.855 1.349 66 HB3 GLU 8 2HB GLU 8 19.966 18.586 2.947 67 HG2 GLU 8 1HG GLU 8 21.895 19.486 2.102 68 HG3 GLU 8 2HG GLU 8 22.516 18.090 2.981 69 HA PRO 9 HA PRO 9 17.778 15.954 6.156 70 HB2 PRO 9 1HB PRO 9 17.966 18.142 7.753 71 HB3 PRO 9 2HB PRO 9 19.064 16.762 7.880 72 HG2 PRO 9 1HG PRO 9 19.478 19.393 6.512 73 HG3 PRO 9 2HG PRO 9 20.600 18.473 7.531 74 HD2 PRO 9 1HD PRO 9 20.739 18.456 4.826 75 HD3 PRO 9 2HD PRO 9 21.191 17.052 5.814 76 H GLY 10 H GLY 10 16.025 17.597 7.254 77 HA2 GLY 10 1HA GLY 10 14.613 19.512 6.786 78 HA3 GLY 10 2HA GLY 10 14.983 19.299 5.081 79 H ILE 11 H ILE 11 12.887 18.477 7.651 80 HA ILE 11 HA ILE 11 11.403 16.664 5.862 81 HB ILE 11 HB ILE 11 11.513 16.582 8.879 82 HG12 ILE 11 1HG1 ILE 11 12.325 14.330 7.085 83 HG13 ILE 11 2HG1 ILE 11 13.446 15.664 7.335 84 HG21 ILE 11 1HG2 ILE 11 9.810 15.170 6.872 85 HG22 ILE 11 2HG2 ILE 11 10.238 14.372 8.384 86 HG23 ILE 11 3HG2 ILE 11 9.357 15.899 8.412 87 HD11 ILE 11 3HD1 ILE 11 12.279 14.577 9.789 88 HD12 ILE 11 1HD1 ILE 11 13.298 13.455 8.888 89 HD13 ILE 11 2HD1 ILE 11 13.946 15.009 9.413 90 H ALA 12 H ALA 12 9.370 17.213 5.383 91 HA ALA 12 HA ALA 12 8.167 19.453 6.870 92 HB1 ALA 12 1HB ALA 12 7.909 18.632 3.989 93 HB2 ALA 12 2HB ALA 12 6.811 19.779 4.758 94 HB3 ALA 12 3HB ALA 12 8.533 20.147 4.644 95 H LYS 13 H LYS 13 6.601 18.847 8.201 96 HA LYS 13 HA LYS 13 4.665 16.841 7.289 97 HB2 LYS 13 1HB LYS 13 4.723 15.621 9.313 98 HB3 LYS 13 2HB LYS 13 6.405 15.838 8.848 99 HG2 LYS 13 1HG LYS 13 6.535 17.755 10.421 100 HG3 LYS 13 2HG LYS 13 4.896 17.371 10.953 101 HD2 LYS 13 1HD LYS 13 6.427 16.379 12.501 102 HD3 LYS 13 2HD LYS 13 5.706 15.083 11.544 103 HE2 LYS 13 1HE LYS 13 8.158 16.177 10.390 104 HE3 LYS 13 2HE LYS 13 8.389 15.448 11.978 105 HZ1 LYS 13 3HZ LYS 13 6.756 13.752 10.474 106 HZ2 LYS 13 1HZ LYS 13 8.328 13.467 11.029 107 HZ3 LYS 13 2HZ LYS 13 8.082 14.165 9.508 108 H LYS 14 H LYS 14 2.575 17.068 8.136 109 HA LYS 14 HA LYS 14 2.030 19.733 9.225 110 HB2 LYS 14 1HB LYS 14 0.460 17.768 7.613 111 HB3 LYS 14 2HB LYS 14 -0.410 18.907 8.633 112 HG2 LYS 14 1HG LYS 14 1.685 20.063 6.915 113 HG3 LYS 14 2HG LYS 14 0.276 19.400 6.085 114 HD2 LYS 14 1HD LYS 14 -0.928 20.783 8.070 115 HD3 LYS 14 2HD LYS 14 0.517 21.768 7.826 116 HE2 LYS 14 1HE LYS 14 -1.070 20.880 5.459 117 HE3 LYS 14 2HE LYS 14 -1.660 22.221 6.440 118 HZ1 LYS 14 3HZ LYS 14 1.043 22.671 5.971 119 HZ2 LYS 14 1HZ LYS 14 -0.273 23.537 5.354 120 HZ3 LYS 14 2HZ LYS 14 0.363 22.234 4.485 121 H ILE 15 H ILE 15 2.009 19.756 11.383 122 HA ILE 15 HA ILE 15 0.831 17.487 12.824 123 HB ILE 15 HB ILE 15 1.887 18.424 14.834 124 HG12 ILE 15 1HG1 ILE 15 3.598 20.305 13.366 125 HG13 ILE 15 2HG1 ILE 15 1.909 20.796 13.448 126 HG21 ILE 15 1HG2 ILE 15 3.959 18.267 12.665 127 HG22 ILE 15 2HG2 ILE 15 4.081 17.739 14.342 128 HG23 ILE 15 3HG2 ILE 15 3.059 16.853 13.211 129 HD11 ILE 15 3HD1 ILE 15 3.319 19.920 15.924 130 HD12 ILE 15 1HD1 ILE 15 3.573 21.545 15.287 131 HD13 ILE 15 2HD1 ILE 15 1.951 21.017 15.736 132 H ASN 16 H ASN 16 -0.330 18.140 14.906 133 HA ASN 16 HA ASN 16 -1.891 20.598 14.578 134 HB2 ASN 16 1HB ASN 16 -2.956 17.795 14.656 135 HB3 ASN 16 2HB ASN 16 -3.919 19.114 15.317 136 HD21 ASN 16 2HD2 ASN 16 -5.352 19.852 13.947 137 HD22 ASN 16 1HD2 ASN 16 -5.170 19.961 12.232 138 H SER 17 H SER 17 0.222 19.396 16.427 139 HA SER 17 HA SER 17 -1.122 20.179 18.909 140 HG SER 17 HG SER 17 -2.005 17.455 18.755 141 HB2 SER 17 1HB SER 17 0.769 17.854 18.985 142 HB3 SER 17 2HB SER 17 -0.516 18.284 20.113 143 H VAL 18 H VAL 18 0.040 21.591 20.044 144 HA VAL 18 HA VAL 18 2.572 22.490 19.104 145 HB VAL 18 HB VAL 18 2.538 24.063 20.927 146 HG11 VAL 18 1HG1 VAL 18 1.009 24.412 18.991 147 HG12 VAL 18 2HG1 VAL 18 -0.293 23.713 19.954 148 HG13 VAL 18 3HG1 VAL 18 0.484 25.209 20.474 149 HG21 VAL 18 3HG2 VAL 18 0.258 22.429 22.039 150 HG22 VAL 18 1HG2 VAL 18 1.877 22.574 22.725 151 HG23 VAL 18 2HG2 VAL 18 0.810 23.978 22.678 152 H ASP 19 H ASP 19 1.629 20.008 21.226 153 HA ASP 19 HA ASP 19 3.757 19.979 23.056 154 HB2 ASP 19 1HB ASP 19 1.954 17.818 21.982 155 HB3 ASP 19 2HB ASP 19 3.220 17.466 23.155 156 H ASP 20 H ASP 20 3.434 18.623 19.817 157 HA ASP 20 HA ASP 20 6.030 17.360 19.920 158 HB2 ASP 20 1HB ASP 20 3.850 17.584 17.883 159 HB3 ASP 20 2HB ASP 20 5.466 17.119 17.359 160 H ILE 21 H ILE 21 6.628 19.818 20.550 161 HA ILE 21 HA ILE 21 7.758 20.976 18.089 162 HB ILE 21 HB ILE 21 6.665 22.487 20.464 163 HG12 ILE 21 1HG1 ILE 21 5.830 22.470 17.555 164 HG13 ILE 21 2HG1 ILE 21 4.967 21.672 18.865 165 HG21 ILE 21 1HG2 ILE 21 7.294 24.513 19.185 166 HG22 ILE 21 2HG2 ILE 21 8.681 23.563 19.714 167 HG23 ILE 21 3HG2 ILE 21 8.146 23.482 18.036 168 HD11 ILE 21 3HD1 ILE 21 5.401 24.632 18.554 169 HD12 ILE 21 1HD1 ILE 21 3.895 23.754 18.294 170 HD13 ILE 21 2HD1 ILE 21 4.587 23.859 19.913 171 H ILE 22 H ILE 22 9.900 21.074 18.098 172 HA ILE 22 HA ILE 22 11.293 21.030 20.696 173 HB ILE 22 HB ILE 22 13.188 19.956 19.502 174 HG12 ILE 22 1HG1 ILE 22 11.242 19.479 17.247 175 HG13 ILE 22 2HG1 ILE 22 12.401 20.803 17.225 176 HG21 ILE 22 1HG2 ILE 22 12.337 17.798 19.683 177 HG22 ILE 22 2HG2 ILE 22 11.272 18.745 20.720 178 HG23 ILE 22 3HG2 ILE 22 10.741 18.275 19.105 179 HD11 ILE 22 3HD1 ILE 22 14.171 18.993 17.610 180 HD12 ILE 22 1HD1 ILE 22 12.911 17.858 17.127 181 HD13 ILE 22 2HD1 ILE 22 13.437 19.119 16.012 182 H ILE 23 H ILE 23 13.777 21.683 20.128 183 HA ILE 23 HA ILE 23 13.652 24.475 19.592 184 HB ILE 23 HB ILE 23 16.022 22.638 19.942 185 HG12 ILE 23 1HG1 ILE 23 16.094 24.118 22.117 186 HG13 ILE 23 2HG1 ILE 23 14.389 24.370 21.760 187 HG21 ILE 23 1HG2 ILE 23 16.820 24.469 18.676 188 HG22 ILE 23 2HG2 ILE 23 15.886 25.625 19.625 189 HG23 ILE 23 3HG2 ILE 23 17.265 24.798 20.350 190 HD11 ILE 23 3HD1 ILE 23 15.522 21.609 21.874 191 HD12 ILE 23 1HD1 ILE 23 15.076 22.466 23.349 192 HD13 ILE 23 2HD1 ILE 23 13.860 22.148 22.112 193 H LYS 24 H LYS 24 14.344 21.672 17.673 194 HA LYS 24 HA LYS 24 15.457 23.269 15.499 195 HB2 LYS 24 1HB LYS 24 15.108 20.304 15.917 196 HB3 LYS 24 2HB LYS 24 15.610 20.981 14.373 197 HG2 LYS 24 1HG LYS 24 17.667 20.631 15.204 198 HG3 LYS 24 2HG LYS 24 17.382 22.183 15.995 199 HD2 LYS 24 1HD LYS 24 16.817 21.153 18.038 200 HD3 LYS 24 2HD LYS 24 16.633 19.570 17.281 201 HE2 LYS 24 1HE LYS 24 18.917 19.242 17.113 202 HE3 LYS 24 2HE LYS 24 19.274 20.967 17.192 203 HZ1 LYS 24 3HZ LYS 24 18.077 19.617 19.516 204 HZ2 LYS 24 1HZ LYS 24 19.051 20.999 19.466 205 HZ3 LYS 24 2HZ LYS 24 19.738 19.472 19.231 206 H CYS 25 H CYS 25 12.471 22.760 16.582 207 HA CYS 25 HA CYS 25 11.166 22.055 14.098 208 HG CYS 25 HG CYS 25 7.505 22.432 16.270 209 HB2 CYS 25 1HB CYS 25 10.079 21.243 16.044 210 HB3 CYS 25 2HB CYS 25 10.158 22.813 16.835 211 H GLN 26 H GLN 26 10.100 23.408 12.726 212 HA GLN 26 HA GLN 26 10.208 26.287 13.335 213 HB2 GLN 26 1HB GLN 26 10.793 24.919 10.705 214 HB3 GLN 26 2HB GLN 26 10.585 26.656 10.886 215 HG2 GLN 26 1HG GLN 26 12.758 26.793 11.266 216 HG3 GLN 26 2HG GLN 26 12.478 25.971 12.800 217 HE21 GLN 26 2HE2 GLN 26 14.673 25.942 10.700 218 HE22 GLN 26 1HE2 GLN 26 14.953 24.261 10.418 219 H CYS 27 H CYS 27 8.271 27.199 13.357 220 HA CYS 27 HA CYS 27 6.192 26.170 11.555 221 HG CYS 27 HG CYS 27 3.249 25.386 14.207 222 HB2 CYS 27 1HB CYS 27 6.000 25.390 14.017 223 HB3 CYS 27 2HB CYS 27 5.524 27.050 14.351 224 H TRP 28 H TRP 28 4.442 27.705 11.158 225 HA TRP 28 HA TRP 28 5.494 30.391 10.895 226 HD1 TRP 28 HD1 TRP 28 4.779 27.228 8.971 227 HE1 TRP 28 HE1 TRP 28 6.001 27.256 6.706 228 HE3 TRP 28 HE3 TRP 28 4.281 32.189 7.840 229 HZ2 TRP 28 HZ2 TRP 28 6.666 29.132 4.705 230 HZ3 TRP 28 HZ3 TRP 28 5.239 33.020 5.732 231 HH2 TRP 28 HH2 TRP 28 6.407 31.521 4.198 232 HB2 TRP 28 1HB TRP 28 2.916 29.129 9.944 233 HB3 TRP 28 2HB TRP 28 3.382 30.795 9.612 234 H VAL 29 H VAL 29 4.583 32.256 11.754 235 HA VAL 29 HA VAL 29 2.642 31.833 13.933 236 HB VAL 29 HB VAL 29 4.947 33.788 13.900 237 HG11 VAL 29 1HG1 VAL 29 4.020 33.750 16.451 238 HG12 VAL 29 2HG1 VAL 29 3.578 34.961 15.244 239 HG13 VAL 29 3HG1 VAL 29 2.520 33.581 15.540 240 HG21 VAL 29 3HG2 VAL 29 5.953 32.454 15.591 241 HG22 VAL 29 1HG2 VAL 29 4.516 31.444 15.740 242 HG23 VAL 29 2HG2 VAL 29 5.504 31.362 14.281 243 H GLN 30 H GLN 30 1.051 33.374 14.223 244 HA GLN 30 HA GLN 30 0.450 34.978 11.896 245 HB2 GLN 30 1HB GLN 30 -1.358 33.743 12.919 246 HB3 GLN 30 2HB GLN 30 -1.056 34.511 14.472 247 HG2 GLN 30 1HG GLN 30 -1.930 36.548 13.778 248 HG3 GLN 30 2HG GLN 30 -1.771 36.142 12.070 249 HE21 GLN 30 2HE2 GLN 30 -3.897 36.564 11.584 250 HE22 GLN 30 1HE2 GLN 30 -5.200 35.569 12.126 251 H LYS 31 H LYS 31 1.200 36.968 11.661 252 HA LYS 31 HA LYS 31 1.209 38.776 13.956 253 HB2 LYS 31 1HB LYS 31 3.604 38.142 12.239 254 HB3 LYS 31 2HB LYS 31 3.482 39.633 13.164 255 HG2 LYS 31 1HG LYS 31 3.206 36.931 14.441 256 HG3 LYS 31 2HG LYS 31 4.768 37.722 14.219 257 HD2 LYS 31 1HD LYS 31 2.528 39.204 15.529 258 HD3 LYS 31 2HD LYS 31 3.455 38.022 16.455 259 HE2 LYS 31 1HE LYS 31 4.769 39.810 16.877 260 HE3 LYS 31 2HE LYS 31 5.468 39.385 15.316 261 HZ1 LYS 31 3HZ LYS 31 3.161 41.113 15.160 262 HZ2 LYS 31 1HZ LYS 31 4.650 41.219 14.364 263 HZ3 LYS 31 2HZ LYS 31 4.491 41.806 15.942 264 H ASN 32 H ASN 32 0.632 40.826 13.457 265 HA ASN 32 HA ASN 32 -0.294 42.520 12.249 266 HB2 ASN 32 1HB ASN 32 1.739 41.754 10.147 267 HB3 ASN 32 2HB ASN 32 1.000 43.334 10.388 268 HD21 ASN 32 2HD2 ASN 32 3.608 41.349 11.106 269 HD22 ASN 32 1HD2 ASN 32 4.333 42.317 12.340 270 H ASP 33 H ASP 33 -1.863 40.369 12.084 271 HA ASP 33 HA ASP 33 -3.466 39.300 10.868 272 HB2 ASP 33 1HB ASP 33 -3.231 41.596 8.925 273 HB3 ASP 33 2HB ASP 33 -4.659 40.636 9.305 274 H GLU 34 H GLU 34 -0.632 38.770 10.217 275 HA GLU 34 HA GLU 34 -1.100 37.502 7.620 276 HB2 GLU 34 1HB GLU 34 1.230 39.276 8.324 277 HB3 GLU 34 2HB GLU 34 1.329 38.076 7.043 278 HG2 GLU 34 1HG GLU 34 -0.643 39.171 5.974 279 HG3 GLU 34 2HG GLU 34 -0.513 40.447 7.183 280 H GLU 35 H GLU 35 1.020 36.079 7.162 281 HA GLU 35 HA GLU 35 1.659 34.660 9.663 282 HB2 GLU 35 1HB GLU 35 1.673 32.558 8.249 283 HB3 GLU 35 2HB GLU 35 0.094 33.264 8.562 284 HG2 GLU 35 1HG GLU 35 1.111 34.391 6.163 285 HG3 GLU 35 2HG GLU 35 1.288 32.639 6.077 286 H ARG 36 H ARG 36 3.758 34.351 10.034 287 HA ARG 36 HA ARG 36 5.628 34.494 7.768 288 HE ARG 36 HE ARG 36 5.020 39.297 7.744 289 HB2 ARG 36 1HB ARG 36 6.107 35.749 10.475 290 HB3 ARG 36 2HB ARG 36 7.168 35.826 9.074 291 HG2 ARG 36 1HG ARG 36 5.039 36.910 7.956 292 HG3 ARG 36 2HG ARG 36 4.652 37.294 9.635 293 HD2 ARG 36 1HD ARG 36 6.507 38.650 9.890 294 HD3 ARG 36 2HD ARG 36 7.382 37.872 8.571 295 HH11 ARG 36 1HH1 ARG 36 8.433 39.511 8.394 296 HH12 ARG 36 2HH1 ARG 36 8.672 40.897 7.383 297 HH21 ARG 36 1HH2 ARG 36 5.321 41.122 6.409 298 HH22 ARG 36 2HH2 ARG 36 6.901 41.813 6.255 299 H LEU 37 H LEU 37 7.557 33.303 7.997 300 HA LEU 37 HA LEU 37 7.281 30.875 9.438 301 HG LEU 37 HG LEU 37 9.676 29.674 9.534 302 HB2 LEU 37 1HB LEU 37 8.491 31.161 7.273 303 HB3 LEU 37 2HB LEU 37 9.772 31.986 8.158 304 HD11 LEU 37 1HD1 LEU 37 8.874 28.994 6.710 305 HD12 LEU 37 2HD1 LEU 37 7.963 28.660 8.182 306 HD13 LEU 37 3HD1 LEU 37 9.495 27.837 7.888 307 HD21 LEU 37 3HD2 LEU 37 11.705 29.162 8.528 308 HD22 LEU 37 1HD2 LEU 37 11.564 30.901 8.273 309 HD23 LEU 37 2HD2 LEU 37 11.198 29.785 6.957 310 H ALA 38 H ALA 38 7.930 30.330 11.421 311 HA ALA 38 HA ALA 38 9.834 32.100 12.808 312 HB1 ALA 38 1HB ALA 38 8.485 32.391 14.582 313 HB2 ALA 38 2HB ALA 38 7.203 31.998 13.437 314 HB3 ALA 38 3HB ALA 38 7.848 30.749 14.501 315 H GLU 39 H GLU 39 11.518 31.108 13.729 316 HA GLU 39 HA GLU 39 11.553 28.177 13.719 317 HB2 GLU 39 1HB GLU 39 13.382 29.125 12.508 318 HB3 GLU 39 2HB GLU 39 13.755 30.236 13.818 319 HG2 GLU 39 1HG GLU 39 14.734 28.596 15.112 320 HG3 GLU 39 2HG GLU 39 13.889 27.291 14.280 321 H ILE 40 H ILE 40 11.374 27.078 15.550 322 HA ILE 40 HA ILE 40 11.027 28.327 18.053 323 HB ILE 40 HB ILE 40 11.642 25.425 17.485 324 HG12 ILE 40 1HG1 ILE 40 9.629 26.307 16.314 325 HG13 ILE 40 2HG1 ILE 40 9.246 25.074 17.510 326 HG21 ILE 40 1HG2 ILE 40 10.185 25.338 19.707 327 HG22 ILE 40 2HG2 ILE 40 11.941 25.494 19.737 328 HG23 ILE 40 3HG2 ILE 40 10.926 26.921 19.941 329 HD11 ILE 40 3HD1 ILE 40 7.961 26.465 18.668 330 HD12 ILE 40 1HD1 ILE 40 9.161 27.757 18.610 331 HD13 ILE 40 2HD1 ILE 40 8.045 27.529 17.264 332 H LEU 41 H LEU 41 12.352 28.549 19.813 333 HA LEU 41 HA LEU 41 15.198 27.916 19.388 334 HG LEU 41 HG LEU 41 14.417 30.611 18.313 335 HB2 LEU 41 1HB LEU 41 13.885 30.291 20.668 336 HB3 LEU 41 2HB LEU 41 15.563 29.868 21.004 337 HD11 LEU 41 1HD1 LEU 41 15.990 32.089 20.382 338 HD12 LEU 41 2HD1 LEU 41 14.577 32.610 19.465 339 HD13 LEU 41 3HD1 LEU 41 16.150 32.501 18.674 340 HD21 LEU 41 3HD2 LEU 41 17.125 30.740 18.088 341 HD22 LEU 41 1HD2 LEU 41 16.133 29.383 17.553 342 HD23 LEU 41 2HD2 LEU 41 16.925 29.329 19.128 343 H SER 42 H SER 42 12.494 27.910 21.589 344 HA SER 42 HA SER 42 13.658 25.852 23.179 345 HG SER 42 HG SER 42 15.613 27.040 24.956 346 HB2 SER 42 1HB SER 42 14.401 28.420 23.943 347 HB3 SER 42 2HB SER 42 13.072 28.023 25.032 348 H ILE 43 H ILE 43 12.212 25.275 25.048 349 HA ILE 43 HA ILE 43 9.426 26.071 24.526 350 HB ILE 43 HB ILE 43 10.392 23.272 25.124 351 HG12 ILE 43 1HG1 ILE 43 8.842 23.487 22.734 352 HG13 ILE 43 2HG1 ILE 43 10.123 24.693 22.671 353 HG21 ILE 43 1HG2 ILE 43 8.324 23.433 26.183 354 HG22 ILE 43 2HG2 ILE 43 7.657 24.480 24.931 355 HG23 ILE 43 3HG2 ILE 43 7.925 22.769 24.598 356 HD11 ILE 43 3HD1 ILE 43 11.698 22.787 23.300 357 HD12 ILE 43 1HD1 ILE 43 10.361 21.717 22.878 358 HD13 ILE 43 2HD1 ILE 43 11.037 22.804 21.665 359 H ASN 44 H ASN 44 8.218 26.533 26.275 360 HA ASN 44 HA ASN 44 9.329 25.886 28.925 361 HB2 ASN 44 1HB ASN 44 9.724 28.235 28.549 362 HB3 ASN 44 2HB ASN 44 8.061 28.477 28.020 363 HD21 ASN 44 2HD2 ASN 44 7.055 29.648 29.480 364 HD22 ASN 44 1HD2 ASN 44 7.116 29.413 31.191 365 H THR 45 H THR 45 8.004 24.272 29.549 366 HA THR 45 HA THR 45 5.111 24.596 29.208 367 HB THR 45 HB THR 45 4.964 22.214 29.888 368 HG1 THR 45 HG1 THR 45 7.758 22.001 29.601 369 HG21 THR 45 3HG2 THR 45 5.294 21.537 27.765 370 HG22 THR 45 1HG2 THR 45 6.977 22.062 27.754 371 HG23 THR 45 2HG2 THR 45 5.686 23.229 27.466 372 H ARG 46 H ARG 46 5.505 26.349 30.953 373 HA ARG 46 HA ARG 46 5.199 25.099 33.604 374 HE ARG 46 HE ARG 46 7.146 23.757 33.613 375 HB2 ARG 46 1HB ARG 46 6.401 27.776 32.886 376 HB3 ARG 46 2HB ARG 46 6.047 27.265 34.531 377 HG2 ARG 46 1HG ARG 46 7.828 25.656 32.735 378 HG3 ARG 46 2HG ARG 46 8.440 27.009 33.689 379 HD2 ARG 46 1HD ARG 46 8.804 25.316 35.171 380 HD3 ARG 46 2HD ARG 46 7.157 25.748 35.628 381 HH11 ARG 46 1HH1 ARG 46 7.740 24.229 37.011 382 HH12 ARG 46 2HH1 ARG 46 7.322 22.604 37.443 383 HH21 ARG 46 1HH2 ARG 46 6.593 21.615 34.169 384 HH22 ARG 46 2HH2 ARG 46 6.670 21.118 35.825 385 H LYS 47 H LYS 47 3.376 26.204 31.283 386 HA LYS 47 HA LYS 47 1.430 27.386 33.124 387 HB2 LYS 47 1HB LYS 47 2.805 28.826 31.068 388 HB3 LYS 47 2HB LYS 47 1.107 28.697 30.626 389 HG2 LYS 47 1HG LYS 47 1.050 30.618 31.841 390 HG3 LYS 47 2HG LYS 47 0.752 29.446 33.127 391 HD2 LYS 47 1HD LYS 47 2.411 30.696 34.094 392 HD3 LYS 47 2HD LYS 47 3.383 29.462 33.288 393 HE2 LYS 47 1HE LYS 47 4.355 31.611 32.849 394 HE3 LYS 47 2HE LYS 47 3.638 31.004 31.358 395 HZ1 LYS 47 3HZ LYS 47 2.678 33.004 31.276 396 HZ2 LYS 47 1HZ LYS 47 2.952 33.331 32.913 397 HZ3 LYS 47 2HZ LYS 47 1.614 32.408 32.448 398 H ALA 48 H ALA 48 -0.741 27.682 31.814 399 HA ALA 48 HA ALA 48 -1.128 25.452 29.954 400 HB1 ALA 48 1HB ALA 48 -1.792 24.326 31.854 401 HB2 ALA 48 2HB ALA 48 -2.448 25.777 32.614 402 HB3 ALA 48 3HB ALA 48 -3.318 25.005 31.288 403 HA PRO 49 HA PRO 49 -1.506 25.283 28.118 404 HB2 PRO 49 1HB PRO 49 -0.939 26.600 25.813 405 HB3 PRO 49 2HB PRO 49 -2.475 25.771 26.093 406 HG2 PRO 49 1HG PRO 49 -1.822 28.683 26.334 407 HG3 PRO 49 2HG PRO 49 -3.250 27.912 25.619 408 HD2 PRO 49 1HD PRO 49 -3.266 28.985 28.105 409 HD3 PRO 49 2HD PRO 49 -4.249 27.573 27.668 410 HA PRO 50 HA PRO 50 2.618 26.562 28.949 411 HB2 PRO 50 1HB PRO 50 4.031 25.210 27.066 412 HB3 PRO 50 2HB PRO 50 3.279 24.418 28.456 413 HG2 PRO 50 1HG PRO 50 2.300 24.625 25.635 414 HG3 PRO 50 2HG PRO 50 2.287 23.225 26.723 415 HD2 PRO 50 1HD PRO 50 0.092 24.747 26.281 416 HD3 PRO 50 2HD PRO 50 0.403 23.950 27.836 417 H LYS 51 H LYS 51 4.715 27.285 27.708 418 HA LYS 51 HA LYS 51 3.930 29.154 25.569 419 HB2 LYS 51 1HB LYS 51 5.558 29.618 28.040 420 HB3 LYS 51 2HB LYS 51 5.892 30.562 26.594 421 HG2 LYS 51 1HG LYS 51 3.402 31.123 26.598 422 HG3 LYS 51 2HG LYS 51 3.392 30.492 28.246 423 HD2 LYS 51 1HD LYS 51 5.152 32.102 28.852 424 HD3 LYS 51 2HD LYS 51 5.110 32.749 27.210 425 HE2 LYS 51 1HE LYS 51 2.629 33.173 27.626 426 HE3 LYS 51 2HE LYS 51 2.979 32.870 29.327 427 HZ1 LYS 51 3HZ LYS 51 3.490 35.201 27.766 428 HZ2 LYS 51 1HZ LYS 51 4.896 34.652 28.531 429 HZ3 LYS 51 2HZ LYS 51 3.518 35.006 29.446 430 H PHE 52 H PHE 52 5.626 29.748 24.084 431 HA PHE 52 HA PHE 52 7.958 27.978 24.056 432 HD1 PHE 52 HD2 PHE 52 4.182 27.642 23.053 433 HD2 PHE 52 HD1 PHE 52 7.603 25.188 22.433 434 HE1 PHE 52 HE2 PHE 52 2.881 25.666 23.725 435 HE2 PHE 52 HE1 PHE 52 6.307 23.206 23.103 436 HZ PHE 52 HZ PHE 52 3.943 23.444 23.752 437 HB2 PHE 52 1HB PHE 52 6.138 28.376 21.673 438 HB3 PHE 52 2HB PHE 52 7.615 27.419 21.703 439 H TYR 53 H TYR 53 9.744 28.772 22.906 440 HA TYR 53 HA TYR 53 9.652 31.667 22.460 441 HD1 TYR 53 HD1 TYR 53 10.447 33.151 23.672 442 HD2 TYR 53 HD2 TYR 53 14.074 31.369 22.341 443 HE1 TYR 53 HE1 TYR 53 11.534 35.357 23.701 444 HE2 TYR 53 HE2 TYR 53 15.172 33.569 22.368 445 HH TYR 53 HH TYR 53 14.948 35.727 23.318 446 HB2 TYR 53 1HB TYR 53 11.357 30.444 24.011 447 HB3 TYR 53 2HB TYR 53 12.181 30.053 22.506 448 H VAL 54 H VAL 54 9.449 32.360 20.447 449 HA VAL 54 HA VAL 54 10.511 30.691 18.261 450 HB VAL 54 HB VAL 54 8.889 31.972 16.805 451 HG11 VAL 54 1HG1 VAL 54 7.075 30.518 17.281 452 HG12 VAL 54 2HG1 VAL 54 8.547 29.646 17.713 453 HG13 VAL 54 3HG1 VAL 54 7.548 30.371 18.973 454 HG21 VAL 54 3HG2 VAL 54 8.468 33.862 18.252 455 HG22 VAL 54 1HG2 VAL 54 6.959 32.997 17.960 456 HG23 VAL 54 2HG2 VAL 54 7.804 32.803 19.495 457 H HIS 55 H HIS 55 11.419 31.795 16.422 458 HA HIS 55 HA HIS 55 12.275 34.557 16.903 459 HD1 HIS 55 HD1 HIS 55 14.147 35.913 15.833 460 HD2 HIS 55 HD2 HIS 55 16.362 32.480 15.076 461 HE1 HIS 55 HE1 HIS 55 16.007 36.636 14.302 462 HB2 HIS 55 1HB HIS 55 14.193 33.463 17.673 463 HB3 HIS 55 2HB HIS 55 14.054 32.174 16.481 464 H TYR 56 H TYR 56 11.796 35.745 15.188 465 HA TYR 56 HA TYR 56 10.944 34.613 12.731 466 HD1 TYR 56 HD2 TYR 56 10.700 37.435 15.597 467 HD2 TYR 56 HD1 TYR 56 8.434 36.374 12.156 468 HE1 TYR 56 HE2 TYR 56 8.625 37.680 16.895 469 HE2 TYR 56 HE1 TYR 56 6.353 36.617 13.444 470 HH TYR 56 HH TYR 56 6.075 36.526 16.524 471 HB2 TYR 56 1HB TYR 56 11.689 37.481 13.342 472 HB3 TYR 56 2HB TYR 56 10.761 36.927 11.953 473 H VAL 57 H VAL 57 12.327 33.603 11.423 474 HA VAL 57 HA VAL 57 15.091 34.050 11.280 475 HB VAL 57 HB VAL 57 13.381 32.899 9.074 476 HG11 VAL 57 1HG1 VAL 57 16.165 33.338 9.327 477 HG12 VAL 57 2HG1 VAL 57 15.887 31.599 9.430 478 HG13 VAL 57 3HG1 VAL 57 15.301 32.506 8.035 479 HG21 VAL 57 3HG2 VAL 57 12.729 31.463 10.696 480 HG22 VAL 57 1HG2 VAL 57 14.302 30.734 10.374 481 HG23 VAL 57 2HG2 VAL 57 14.105 31.840 11.733 482 H ASN 58 H ASN 58 12.410 35.520 9.586 483 HA ASN 58 HA ASN 58 13.955 36.747 7.532 484 HB2 ASN 58 1HB ASN 58 11.161 37.044 8.561 485 HB3 ASN 58 2HB ASN 58 11.812 38.288 7.498 486 HD21 ASN 58 2HD2 ASN 58 12.068 34.749 7.608 487 HD22 ASN 58 1HD2 ASN 58 11.557 34.493 5.977 488 H TYR 59 H TYR 59 13.291 37.509 10.828 489 HA TYR 59 HA TYR 59 14.448 40.193 10.466 490 HD1 TYR 59 HD2 TYR 59 13.121 42.287 10.692 491 HD2 TYR 59 HD1 TYR 59 10.463 39.115 11.679 492 HE1 TYR 59 HE2 TYR 59 11.326 43.411 9.443 493 HE2 TYR 59 HE1 TYR 59 8.660 40.230 10.432 494 HH TYR 59 HH TYR 59 8.275 42.937 9.779 495 HB2 TYR 59 1HB TYR 59 12.589 39.107 12.580 496 HB3 TYR 59 2HB TYR 59 13.430 40.644 12.749 497 H ASN 60 H ASN 60 15.366 40.850 12.851 498 HA ASN 60 HA ASN 60 17.675 39.154 13.159 499 HB2 ASN 60 1HB ASN 60 16.826 41.790 14.333 500 HB3 ASN 60 2HB ASN 60 18.221 40.924 14.971 501 HD21 ASN 60 2HD2 ASN 60 16.868 41.853 11.822 502 HD22 ASN 60 1HD2 ASN 60 18.371 42.363 11.138 503 H LYS 61 H LYS 61 18.449 38.793 15.515 504 HA LYS 61 HA LYS 61 16.615 37.012 16.742 505 HB2 LYS 61 1HB LYS 61 19.163 36.893 16.772 506 HB3 LYS 61 2HB LYS 61 19.106 38.124 18.027 507 HG2 LYS 61 1HG LYS 61 17.390 36.353 19.071 508 HG3 LYS 61 2HG LYS 61 18.420 35.259 18.146 509 HD2 LYS 61 1HD LYS 61 19.765 37.324 19.796 510 HD3 LYS 61 2HD LYS 61 18.982 35.991 20.649 511 HE2 LYS 61 1HE LYS 61 20.698 35.311 18.327 512 HE3 LYS 61 2HE LYS 61 21.503 35.867 19.794 513 HZ1 LYS 61 3HZ LYS 61 20.746 33.325 19.313 514 HZ2 LYS 61 1HZ LYS 61 19.462 33.889 20.259 515 HZ3 LYS 61 2HZ LYS 61 21.045 33.969 20.849 516 H ARG 62 H ARG 62 16.943 40.357 16.920 517 HA ARG 62 HA ARG 62 16.087 40.668 19.656 518 HE ARG 62 HE ARG 62 17.123 44.448 14.555 519 HB2 ARG 62 1HB ARG 62 16.036 43.044 19.173 520 HB3 ARG 62 2HB ARG 62 17.522 42.345 18.544 521 HG2 ARG 62 1HG ARG 62 16.029 42.149 16.350 522 HG3 ARG 62 2HG ARG 62 15.219 43.521 17.110 523 HD2 ARG 62 1HD ARG 62 17.549 44.520 17.391 524 HD3 ARG 62 2HD ARG 62 18.092 43.276 16.266 525 HH11 ARG 62 1HH1 ARG 62 15.911 45.644 17.591 526 HH12 ARG 62 2HH1 ARG 62 15.081 46.988 16.880 527 HH21 ARG 62 1HH2 ARG 62 16.035 46.214 13.606 528 HH22 ARG 62 2HH2 ARG 62 15.151 47.311 14.613 529 H LEU 63 H LEU 63 14.528 39.608 16.996 530 HA LEU 63 HA LEU 63 12.007 40.988 17.565 531 HG LEU 63 HG LEU 63 11.680 41.098 13.937 532 HB2 LEU 63 1HB LEU 63 13.180 39.658 15.236 533 HB3 LEU 63 2HB LEU 63 11.482 39.271 15.503 534 HD11 LEU 63 1HD1 LEU 63 9.932 41.025 15.879 535 HD12 LEU 63 2HD1 LEU 63 10.055 42.444 14.840 536 HD13 LEU 63 3HD1 LEU 63 10.797 42.456 16.440 537 HD21 LEU 63 3HD2 LEU 63 12.992 42.927 14.189 538 HD22 LEU 63 1HD2 LEU 63 13.917 41.823 15.208 539 HD23 LEU 63 2HD2 LEU 63 12.793 42.968 15.941 540 H ASP 64 H ASP 64 13.619 37.971 17.981 541 HA ASP 64 HA ASP 64 11.548 36.156 18.171 542 HB2 ASP 64 1HB ASP 64 12.986 34.857 19.649 543 HB3 ASP 64 2HB ASP 64 13.940 35.564 18.348 544 H GLU 65 H GLU 65 10.587 35.198 20.146 545 HA GLU 65 HA GLU 65 10.435 36.594 22.584 546 HB2 GLU 65 1HB GLU 65 8.124 37.470 22.404 547 HB3 GLU 65 2HB GLU 65 9.254 38.299 21.342 548 HG2 GLU 65 1HG GLU 65 8.354 37.364 19.432 549 HG3 GLU 65 2HG GLU 65 7.634 36.015 20.308 550 H TRP 66 H TRP 66 8.230 35.905 23.746 551 HA TRP 66 HA TRP 66 8.072 33.003 23.364 552 HD1 TRP 66 HD1 TRP 66 9.766 35.780 25.758 553 HE1 TRP 66 HE1 TRP 66 11.965 34.804 26.673 554 HE3 TRP 66 HE3 TRP 66 8.432 30.850 25.989 555 HZ2 TRP 66 HZ2 TRP 66 12.997 32.278 27.397 556 HZ3 TRP 66 HZ3 TRP 66 10.083 29.218 26.803 557 HH2 TRP 66 HH2 TRP 66 12.318 29.920 27.492 558 HB2 TRP 66 1HB TRP 66 7.247 34.715 25.719 559 HB3 TRP 66 2HB TRP 66 7.144 32.958 25.654 560 H ILE 67 H ILE 67 6.460 32.406 22.066 561 HA ILE 67 HA ILE 67 3.913 33.861 22.197 562 HB ILE 67 HB ILE 67 3.359 32.764 20.068 563 HG12 ILE 67 1HG1 ILE 67 6.195 31.736 20.017 564 HG13 ILE 67 2HG1 ILE 67 4.848 30.747 20.569 565 HG21 ILE 67 1HG2 ILE 67 4.829 34.044 18.675 566 HG22 ILE 67 2HG2 ILE 67 4.540 34.952 20.158 567 HG23 ILE 67 3HG2 ILE 67 6.062 34.089 19.936 568 HD11 ILE 67 3HD1 ILE 67 5.233 30.187 18.313 569 HD12 ILE 67 1HD1 ILE 67 3.771 31.172 18.340 570 HD13 ILE 67 2HD1 ILE 67 5.303 31.881 17.829 571 H THR 68 H THR 68 1.922 32.552 21.982 572 HA THR 68 HA THR 68 2.156 30.076 23.557 573 HB THR 68 HB THR 68 -0.438 30.600 23.823 574 HG1 THR 68 HG1 THR 68 -0.517 32.999 24.095 575 HG21 THR 68 3HG2 THR 68 1.156 30.380 25.663 576 HG22 THR 68 1HG2 THR 68 0.080 31.752 25.928 577 HG23 THR 68 2HG2 THR 68 1.733 32.021 25.372 578 H THR 69 H THR 69 0.072 28.656 23.178 579 HA THR 69 HA THR 69 0.281 27.489 20.673 580 HB THR 69 HB THR 69 -1.657 26.185 21.203 581 HG1 THR 69 HG1 THR 69 -2.931 26.862 23.108 582 HG21 THR 69 3HG2 THR 69 0.447 25.943 22.621 583 HG22 THR 69 1HG2 THR 69 -1.039 25.267 23.287 584 HG23 THR 69 2HG2 THR 69 -0.431 26.813 23.878 585 H ASP 70 H ASP 70 -2.132 29.814 21.845 586 HA ASP 70 HA ASP 70 -3.681 29.884 19.493 587 HB2 ASP 70 1HB ASP 70 -4.329 30.761 21.785 588 HB3 ASP 70 2HB ASP 70 -3.337 32.173 21.431 589 H ARG 71 H ARG 71 -0.580 31.084 20.160 590 HA ARG 71 HA ARG 71 -0.722 33.087 18.027 591 HE ARG 71 HE ARG 71 0.672 36.554 22.311 592 HB2 ARG 71 1HB ARG 71 1.384 32.502 20.111 593 HB3 ARG 71 2HB ARG 71 1.599 33.673 18.817 594 HG2 ARG 71 1HG ARG 71 -0.655 34.642 19.761 595 HG3 ARG 71 2HG ARG 71 -0.139 33.799 21.224 596 HD2 ARG 71 1HD ARG 71 1.956 35.012 21.222 597 HD3 ARG 71 2HD ARG 71 1.534 35.790 19.698 598 HH11 ARG 71 1HH1 ARG 71 -0.232 36.515 18.950 599 HH12 ARG 71 2HH1 ARG 71 -1.296 37.875 19.086 600 HH21 ARG 71 1HH2 ARG 71 -0.726 38.345 22.503 601 HH22 ARG 71 2HH2 ARG 71 -1.576 38.916 21.107 602 H ILE 72 H ILE 72 -0.527 29.990 17.903 603 HA ILE 72 HA ILE 72 1.787 29.885 16.081 604 HB ILE 72 HB ILE 72 0.488 27.630 17.613 605 HG12 ILE 72 1HG1 ILE 72 3.336 28.571 17.849 606 HG13 ILE 72 2HG1 ILE 72 2.052 29.320 18.792 607 HG21 ILE 72 1HG2 ILE 72 2.767 26.578 16.642 608 HG22 ILE 72 2HG2 ILE 72 1.203 26.434 15.841 609 HG23 ILE 72 3HG2 ILE 72 2.346 27.675 15.327 610 HD11 ILE 72 3HD1 ILE 72 2.471 27.759 20.312 611 HD12 ILE 72 1HD1 ILE 72 1.662 26.634 19.222 612 HD13 ILE 72 2HD1 ILE 72 3.418 26.794 19.180 613 H ASN 73 H ASN 73 1.532 29.075 14.036 614 HA ASN 73 HA ASN 73 -1.240 28.784 13.130 615 HB2 ASN 73 1HB ASN 73 1.308 29.285 11.576 616 HB3 ASN 73 2HB ASN 73 -0.292 29.133 10.857 617 HD21 ASN 73 2HD2 ASN 73 0.248 31.281 10.030 618 HD22 ASN 73 1HD2 ASN 73 -0.092 32.657 11.017 619 H LEU 74 H LEU 74 -1.914 26.734 13.201 620 HA LEU 74 HA LEU 74 -0.060 24.570 12.561 621 HG LEU 74 HG LEU 74 -0.830 25.002 15.278 622 HB2 LEU 74 1HB LEU 74 -2.819 24.643 13.751 623 HB3 LEU 74 2HB LEU 74 -2.048 23.139 13.250 624 HD11 LEU 74 1HD1 LEU 74 -1.705 22.969 16.774 625 HD12 LEU 74 2HD1 LEU 74 -2.987 23.002 15.563 626 HD13 LEU 74 3HD1 LEU 74 -2.638 24.444 16.516 627 HD21 LEU 74 3HD2 LEU 74 -0.074 22.384 15.758 628 HD22 LEU 74 1HD2 LEU 74 0.899 23.631 14.978 629 HD23 LEU 74 2HD2 LEU 74 -0.055 22.518 13.998 630 H ASP 75 H ASP 75 -1.300 26.482 10.579 631 HA ASP 75 HA ASP 75 -2.844 24.604 8.941 632 HB2 ASP 75 1HB ASP 75 -3.742 26.903 9.334 633 HB3 ASP 75 2HB ASP 75 -2.351 27.550 8.469 634 H LYS 76 H LYS 76 0.229 26.156 9.167 635 HA LYS 76 HA LYS 76 0.932 25.379 6.430 636 HB2 LYS 76 1HB LYS 76 2.097 27.279 8.425 637 HB3 LYS 76 2HB LYS 76 3.133 26.617 7.168 638 HG2 LYS 76 1HG LYS 76 2.443 28.464 6.073 639 HG3 LYS 76 2HG LYS 76 1.093 27.410 5.645 640 HD2 LYS 76 1HD LYS 76 -0.337 28.413 7.181 641 HD3 LYS 76 2HD LYS 76 0.993 29.078 8.132 642 HE2 LYS 76 1HE LYS 76 0.123 30.932 7.017 643 HE3 LYS 76 2HE LYS 76 1.520 30.474 6.044 644 HZ1 LYS 76 3HZ LYS 76 -0.065 29.215 4.607 645 HZ2 LYS 76 1HZ LYS 76 -0.264 30.895 4.570 646 HZ3 LYS 76 2HZ LYS 76 -1.336 29.936 5.459 647 H GLU 77 H GLU 77 2.544 23.922 5.970 648 HA GLU 77 HA GLU 77 2.956 21.775 7.668 649 HB2 GLU 77 1HB GLU 77 4.870 22.659 5.505 650 HB3 GLU 77 2HB GLU 77 4.650 21.029 6.127 651 HG2 GLU 77 1HG GLU 77 2.330 21.067 5.248 652 HG3 GLU 77 2HG GLU 77 2.680 22.631 4.515 653 H VAL 78 H VAL 78 4.592 21.134 9.041 654 HA VAL 78 HA VAL 78 6.258 23.313 10.078 655 HB VAL 78 HB VAL 78 5.549 20.645 11.308 656 HG11 VAL 78 1HG1 VAL 78 7.144 22.945 12.433 657 HG12 VAL 78 2HG1 VAL 78 6.615 21.528 13.342 658 HG13 VAL 78 3HG1 VAL 78 7.762 21.348 12.014 659 HG21 VAL 78 3HG2 VAL 78 4.375 22.183 12.966 660 HG22 VAL 78 1HG2 VAL 78 4.561 23.448 11.751 661 HG23 VAL 78 2HG2 VAL 78 3.627 21.999 11.380 662 H LEU 79 H LEU 79 8.467 23.140 10.293 663 HA LEU 79 HA LEU 79 9.714 21.030 8.685 664 HG LEU 79 HG LEU 79 11.535 23.756 7.101 665 HB2 LEU 79 1HB LEU 79 10.221 23.845 9.123 666 HB3 LEU 79 2HB LEU 79 11.670 22.877 9.389 667 HD11 LEU 79 1HD1 LEU 79 12.210 21.794 6.026 668 HD12 LEU 79 2HD1 LEU 79 11.131 20.785 6.989 669 HD13 LEU 79 3HD1 LEU 79 12.563 21.502 7.729 670 HD21 LEU 79 3HD2 LEU 79 8.916 23.464 7.187 671 HD22 LEU 79 1HD2 LEU 79 9.298 21.899 6.470 672 HD23 LEU 79 2HD2 LEU 79 9.798 23.384 5.661 673 H TYR 80 H TYR 80 11.036 19.542 9.543 674 HA TYR 80 HA TYR 80 11.954 19.914 12.312 675 HD1 TYR 80 HD2 TYR 80 10.831 19.002 14.521 676 HD2 TYR 80 HD1 TYR 80 8.354 18.036 11.199 677 HE1 TYR 80 HE2 TYR 80 8.849 19.683 15.808 678 HE2 TYR 80 HE1 TYR 80 6.365 18.715 12.477 679 HH TYR 80 HH TYR 80 6.505 20.511 15.276 680 HB2 TYR 80 1HB TYR 80 10.617 17.480 11.130 681 HB3 TYR 80 2HB TYR 80 11.559 17.421 12.616 682 HA PRO 81 HA PRO 81 15.915 18.644 10.916 683 HB2 PRO 81 1HB PRO 81 16.864 17.332 13.095 684 HB3 PRO 81 2HB PRO 81 16.679 19.089 13.037 685 HG2 PRO 81 1HG PRO 81 14.877 17.035 14.259 686 HG3 PRO 81 2HG PRO 81 15.382 18.607 14.905 687 HD2 PRO 81 1HD PRO 81 12.971 18.219 13.735 688 HD3 PRO 81 2HD PRO 81 13.841 19.763 13.639 689 H LYS 82 H LYS 82 17.143 16.871 10.188 690 HA LYS 82 HA LYS 82 15.671 14.320 10.136 691 HB2 LYS 82 1HB LYS 82 15.925 15.461 7.942 692 HB3 LYS 82 2HB LYS 82 17.672 15.360 8.121 693 HG2 LYS 82 1HG LYS 82 17.465 13.473 6.945 694 HG3 LYS 82 2HG LYS 82 16.953 12.767 8.479 695 HD2 LYS 82 1HD LYS 82 14.791 12.604 7.834 696 HD3 LYS 82 2HD LYS 82 14.844 14.108 6.911 697 HE2 LYS 82 1HE LYS 82 16.224 12.871 5.202 698 HE3 LYS 82 2HE LYS 82 15.843 11.391 6.080 699 HZ1 LYS 82 3HZ LYS 82 14.007 11.294 4.862 700 HZ2 LYS 82 1HZ LYS 82 14.246 12.845 4.230 701 HZ3 LYS 82 2HZ LYS 82 13.431 12.647 5.698 702 H LEU 83 H LEU 83 16.596 12.592 11.028 703 HA LEU 83 HA LEU 83 19.510 12.551 11.373 704 HG LEU 83 HG LEU 83 18.553 14.399 13.101 705 HB2 LEU 83 1HB LEU 83 17.441 12.025 13.494 706 HB3 LEU 83 2HB LEU 83 19.126 11.531 13.641 707 HD11 LEU 83 1HD1 LEU 83 16.983 14.158 14.807 708 HD12 LEU 83 2HD1 LEU 83 18.447 14.666 15.649 709 HD13 LEU 83 3HD1 LEU 83 17.962 12.971 15.670 710 HD21 LEU 83 3HD2 LEU 83 20.848 13.323 13.272 711 HD22 LEU 83 1HD2 LEU 83 20.517 13.140 14.995 712 HD23 LEU 83 2HD2 LEU 83 20.563 14.748 14.273 713 H LYS 84 H LYS 84 19.858 10.986 9.859 714 HA LYS 84 HA LYS 84 18.330 8.498 10.017 715 HB2 LYS 84 1HB LYS 84 19.410 7.922 7.900 716 HB3 LYS 84 2HB LYS 84 18.643 9.502 7.803 717 HG2 LYS 84 1HG LYS 84 20.768 10.604 8.023 718 HG3 LYS 84 2HG LYS 84 21.580 9.061 8.298 719 HD2 LYS 84 1HD LYS 84 22.013 9.355 6.067 720 HD3 LYS 84 2HD LYS 84 20.494 8.461 5.972 721 HE2 LYS 84 1HE LYS 84 20.139 10.215 4.503 722 HE3 LYS 84 2HE LYS 84 19.396 10.805 5.988 723 HZ1 LYS 84 3HZ LYS 84 21.127 12.268 6.371 724 HZ2 LYS 84 1HZ LYS 84 20.955 12.352 4.690 725 HZ3 LYS 84 2HZ LYS 84 22.207 11.440 5.367 726 H ALA 85 H ALA 85 19.509 6.432 9.899 727 HA ALA 85 HA ALA 85 21.958 6.543 11.530 728 HB1 ALA 85 1HB ALA 85 19.555 5.090 11.866 729 HB2 ALA 85 2HB ALA 85 20.834 3.928 11.509 730 HB3 ALA 85 3HB ALA 85 21.011 5.046 12.862 731 H THR 86 H THR 86 23.786 6.014 10.549 732 HA THR 86 HA THR 86 23.729 4.007 8.404 733 HB THR 86 HB THR 86 25.405 6.513 8.231 734 HG1 THR 86 HG1 THR 86 23.726 6.817 6.411 735 HG21 THR 86 3HG2 THR 86 25.176 5.620 5.718 736 HG22 THR 86 1HG2 THR 86 25.025 4.086 6.573 737 HG23 THR 86 2HG2 THR 86 26.458 5.087 6.804 738 H ASP 87 H ASP 87 25.649 2.813 8.138 739 HA ASP 87 HA ASP 87 27.384 2.850 10.505 740 HB2 ASP 87 1HB ASP 87 26.242 0.733 10.081 741 HB3 ASP 87 2HB ASP 87 26.913 0.677 8.453 742 H GLU 88 H GLU 88 29.128 4.081 10.182 743 HA GLU 88 HA GLU 88 30.770 3.532 7.816 744 HB2 GLU 88 1HB GLU 88 31.205 5.877 7.437 745 HB3 GLU 88 2HB GLU 88 29.469 5.601 7.395 746 HG2 GLU 88 1HG GLU 88 30.901 6.582 9.845 747 HG3 GLU 88 2HG GLU 88 30.251 7.663 8.613 748 H ASP 89 H ASP 89 32.972 3.663 8.139 749 HA ASP 89 HA ASP 89 33.931 4.492 10.779 750 HB2 ASP 89 1HB ASP 89 35.456 2.364 10.618 751 HB3 ASP 89 2HB ASP 89 33.819 2.229 11.254 Start of MODEL 7 1 H1 GLY -2 H GLY -2 -1.141 -0.918 -0.324 2 HA2 GLY -2 1HA GLY -2 -2.018 1.480 0.863 3 HA3 GLY -2 2HA GLY -2 -0.754 0.785 1.867 4 H SER -1 H SER -1 0.854 2.235 1.509 5 HA SER -1 HA SER -1 1.843 2.416 -1.260 6 HG SER -1 HG SER -1 2.594 4.307 -1.991 7 HB2 SER -1 1HB SER -1 0.758 4.545 -0.347 8 HB3 SER -1 2HB SER -1 2.131 4.644 0.756 9 H HIS 0 H HIS 0 4.158 2.821 -1.444 10 HA HIS 0 HA HIS 0 5.622 1.344 0.594 11 HD1 HIS 0 HD1 HIS 0 5.069 -0.707 -0.539 12 HD2 HIS 0 HD2 HIS 0 5.884 1.012 -4.233 13 HE1 HIS 0 HE1 HIS 0 3.992 -2.218 -2.236 14 HB2 HIS 0 1HB HIS 0 6.653 2.405 -2.041 15 HB3 HIS 0 2HB HIS 0 7.397 1.176 -1.022 16 H MET 1 H MET 1 7.835 2.131 1.185 17 HA MET 1 HA MET 1 7.978 5.061 1.324 18 HB2 MET 1 1HB MET 1 7.058 3.951 3.449 19 HB3 MET 1 2HB MET 1 8.685 3.323 3.679 20 HG2 MET 1 1HG MET 1 9.460 5.744 3.500 21 HG3 MET 1 2HG MET 1 7.763 6.173 3.701 22 HE1 MET 1 3HE MET 1 6.536 6.258 5.467 23 HE2 MET 1 1HE MET 1 6.828 5.709 7.117 24 HE3 MET 1 2HE MET 1 7.577 7.197 6.538 25 H SER 2 H SER 2 9.785 5.623 0.315 26 HA SER 2 HA SER 2 11.996 3.813 0.022 27 HG SER 2 HG SER 2 10.546 5.859 -2.284 28 HB2 SER 2 1HB SER 2 11.702 6.723 -0.763 29 HB3 SER 2 2HB SER 2 13.048 5.682 -1.227 30 H HIS 3 H HIS 3 13.778 3.670 1.226 31 HA HIS 3 HA HIS 3 14.036 5.410 3.540 32 HD1 HIS 3 HD1 HIS 3 16.673 1.886 5.082 33 HD2 HIS 3 HD2 HIS 3 15.635 5.907 5.226 34 HE1 HIS 3 HE1 HIS 3 17.812 2.802 7.129 35 HB2 HIS 3 1HB HIS 3 14.261 2.921 3.720 36 HB3 HIS 3 2HB HIS 3 15.740 3.034 2.770 37 H ASP 4 H ASP 4 16.190 4.252 0.942 38 HA ASP 4 HA ASP 4 17.887 6.606 1.386 39 HB2 ASP 4 1HB ASP 4 19.661 5.424 0.356 40 HB3 ASP 4 2HB ASP 4 18.861 4.250 1.397 41 H GLY 5 H GLY 5 19.005 7.332 -0.763 42 HA2 GLY 5 1HA GLY 5 18.342 7.288 -3.265 43 HA3 GLY 5 2HA GLY 5 16.817 7.901 -2.644 44 H LYS 6 H LYS 6 18.001 9.418 -4.472 45 HA LYS 6 HA LYS 6 19.748 11.372 -3.256 46 HB2 LYS 6 1HB LYS 6 19.807 10.625 -5.699 47 HB3 LYS 6 2HB LYS 6 18.369 11.612 -5.926 48 HG2 LYS 6 1HG LYS 6 19.643 13.575 -5.122 49 HG3 LYS 6 2HG LYS 6 21.085 12.561 -5.039 50 HD2 LYS 6 1HD LYS 6 19.561 12.622 -7.592 51 HD3 LYS 6 2HD LYS 6 20.532 14.035 -7.171 52 HE2 LYS 6 1HE LYS 6 22.064 12.785 -8.339 53 HE3 LYS 6 2HE LYS 6 22.379 12.243 -6.691 54 HZ1 LYS 6 3HZ LYS 6 21.667 10.191 -7.154 55 HZ2 LYS 6 1HZ LYS 6 21.879 10.618 -8.777 56 HZ3 LYS 6 2HZ LYS 6 20.348 10.728 -8.067 57 H GLU 7 H GLU 7 18.239 11.944 -1.525 58 HA GLU 7 HA GLU 7 16.262 13.927 -2.442 59 HB2 GLU 7 1HB GLU 7 15.421 11.723 -1.326 60 HB3 GLU 7 2HB GLU 7 15.964 12.478 0.166 61 HG2 GLU 7 1HG GLU 7 14.369 14.134 0.071 62 HG3 GLU 7 2HG GLU 7 14.162 13.980 -1.672 63 H GLU 8 H GLU 8 16.318 15.906 -1.509 64 HA GLU 8 HA GLU 8 18.651 16.656 -0.064 65 HB2 GLU 8 1HB GLU 8 16.213 18.049 -1.059 66 HB3 GLU 8 2HB GLU 8 17.155 18.841 0.196 67 HG2 GLU 8 1HG GLU 8 19.170 18.510 -1.294 68 HG3 GLU 8 2HG GLU 8 18.034 18.059 -2.564 69 HA PRO 9 HA PRO 9 17.431 16.292 4.133 70 HB2 PRO 9 1HB PRO 9 18.463 18.544 5.242 71 HB3 PRO 9 2HB PRO 9 19.466 17.192 4.705 72 HG2 PRO 9 1HG PRO 9 18.863 19.773 3.313 73 HG3 PRO 9 2HG PRO 9 20.408 18.915 3.459 74 HD2 PRO 9 1HD PRO 9 18.880 18.793 1.227 75 HD3 PRO 9 2HD PRO 9 19.892 17.438 1.766 76 H GLY 10 H GLY 10 16.490 17.712 6.025 77 HA2 GLY 10 1HA GLY 10 14.901 19.250 6.781 78 HA3 GLY 10 2HA GLY 10 14.639 19.761 5.120 79 H ILE 11 H ILE 11 13.406 17.992 7.701 80 HA ILE 11 HA ILE 11 11.623 16.416 5.987 81 HB ILE 11 HB ILE 11 11.854 16.282 8.991 82 HG12 ILE 11 1HG1 ILE 11 13.059 14.026 8.188 83 HG13 ILE 11 2HG1 ILE 11 13.496 15.061 6.833 84 HG21 ILE 11 1HG2 ILE 11 11.064 13.836 7.837 85 HG22 ILE 11 2HG2 ILE 11 10.105 14.927 8.836 86 HG23 ILE 11 3HG2 ILE 11 10.092 15.099 7.081 87 HD11 ILE 11 3HD1 ILE 11 14.733 14.876 9.343 88 HD12 ILE 11 1HD1 ILE 11 15.107 15.986 8.025 89 HD13 ILE 11 2HD1 ILE 11 13.958 16.459 9.278 90 H ALA 12 H ALA 12 9.782 17.365 5.435 91 HA ALA 12 HA ALA 12 8.568 19.316 7.262 92 HB1 ALA 12 1HB ALA 12 9.075 19.951 4.880 93 HB2 ALA 12 2HB ALA 12 7.812 18.820 4.392 94 HB3 ALA 12 3HB ALA 12 7.409 20.212 5.397 95 H LYS 13 H LYS 13 6.866 18.748 8.432 96 HA LYS 13 HA LYS 13 4.999 16.746 7.390 97 HB2 LYS 13 1HB LYS 13 4.979 15.474 9.411 98 HB3 LYS 13 2HB LYS 13 6.659 15.632 8.913 99 HG2 LYS 13 1HG LYS 13 7.048 17.329 10.567 100 HG3 LYS 13 2HG LYS 13 5.336 17.358 10.995 101 HD2 LYS 13 1HD LYS 13 6.300 16.046 12.666 102 HD3 LYS 13 2HD LYS 13 5.644 14.860 11.534 103 HE2 LYS 13 1HE LYS 13 7.715 14.210 10.806 104 HE3 LYS 13 2HE LYS 13 8.447 15.777 11.147 105 HZ1 LYS 13 3HZ LYS 13 8.033 13.493 12.920 106 HZ2 LYS 13 1HZ LYS 13 7.893 15.035 13.602 107 HZ3 LYS 13 2HZ LYS 13 9.329 14.576 12.836 108 H LYS 14 H LYS 14 2.893 16.845 8.310 109 HA LYS 14 HA LYS 14 2.271 19.492 9.407 110 HB2 LYS 14 1HB LYS 14 0.801 17.512 7.746 111 HB3 LYS 14 2HB LYS 14 -0.151 18.499 8.847 112 HG2 LYS 14 1HG LYS 14 1.749 20.089 7.353 113 HG3 LYS 14 2HG LYS 14 0.666 19.181 6.295 114 HD2 LYS 14 1HD LYS 14 -0.474 21.182 6.676 115 HD3 LYS 14 2HD LYS 14 -1.216 20.055 7.813 116 HE2 LYS 14 1HE LYS 14 1.121 21.498 8.851 117 HE3 LYS 14 2HE LYS 14 -0.263 22.519 8.463 118 HZ1 LYS 14 3HZ LYS 14 -1.353 21.787 10.237 119 HZ2 LYS 14 1HZ LYS 14 0.090 21.070 10.754 120 HZ3 LYS 14 2HZ LYS 14 -1.037 20.164 9.877 121 H ILE 15 H ILE 15 1.392 19.774 11.380 122 HA ILE 15 HA ILE 15 0.464 17.415 12.860 123 HB ILE 15 HB ILE 15 1.608 18.219 14.897 124 HG12 ILE 15 1HG1 ILE 15 3.445 19.917 13.296 125 HG13 ILE 15 2HG1 ILE 15 1.862 20.592 13.664 126 HG21 ILE 15 1HG2 ILE 15 2.752 16.924 12.652 127 HG22 ILE 15 2HG2 ILE 15 3.995 17.937 13.383 128 HG23 ILE 15 3HG2 ILE 15 3.158 16.728 14.356 129 HD11 ILE 15 3HD1 ILE 15 2.403 20.972 15.787 130 HD12 ILE 15 1HD1 ILE 15 3.162 19.391 15.974 131 HD13 ILE 15 2HD1 ILE 15 4.069 20.728 15.265 132 H ASN 16 H ASN 16 -0.887 17.926 14.706 133 HA ASN 16 HA ASN 16 -2.160 20.575 14.492 134 HB2 ASN 16 1HB ASN 16 -3.351 17.846 14.551 135 HB3 ASN 16 2HB ASN 16 -4.211 19.126 15.401 136 HD21 ASN 16 2HD2 ASN 16 -3.147 17.938 12.323 137 HD22 ASN 16 1HD2 ASN 16 -4.114 18.990 11.352 138 H SER 17 H SER 17 -0.065 19.323 16.318 139 HA SER 17 HA SER 17 -1.313 20.212 18.817 140 HG SER 17 HG SER 17 -1.195 16.907 17.782 141 HB2 SER 17 1HB SER 17 0.483 17.790 18.755 142 HB3 SER 17 2HB SER 17 -0.552 18.350 20.069 143 H VAL 18 H VAL 18 -0.033 21.463 20.061 144 HA VAL 18 HA VAL 18 2.475 22.345 18.971 145 HB VAL 18 HB VAL 18 2.530 23.942 20.782 146 HG11 VAL 18 1HG1 VAL 18 1.027 24.368 18.867 147 HG12 VAL 18 2HG1 VAL 18 -0.303 23.660 19.786 148 HG13 VAL 18 3HG1 VAL 18 0.476 25.137 20.355 149 HG21 VAL 18 3HG2 VAL 18 1.872 23.075 22.761 150 HG22 VAL 18 1HG2 VAL 18 0.309 23.745 22.293 151 HG23 VAL 18 2HG2 VAL 18 0.653 22.036 22.023 152 H ASP 19 H ASP 19 1.472 20.038 21.314 153 HA ASP 19 HA ASP 19 3.654 19.955 23.038 154 HB2 ASP 19 1HB ASP 19 1.626 18.674 23.459 155 HB3 ASP 19 2HB ASP 19 1.933 17.676 22.040 156 H ASP 20 H ASP 20 3.218 18.507 19.852 157 HA ASP 20 HA ASP 20 5.782 17.178 19.939 158 HB2 ASP 20 1HB ASP 20 3.556 16.535 18.638 159 HB3 ASP 20 2HB ASP 20 4.286 17.533 17.384 160 H ILE 21 H ILE 21 6.447 19.648 20.463 161 HA ILE 21 HA ILE 21 7.611 20.642 17.951 162 HB ILE 21 HB ILE 21 6.432 22.333 20.158 163 HG12 ILE 21 1HG1 ILE 21 5.715 22.047 17.231 164 HG13 ILE 21 2HG1 ILE 21 4.780 21.426 18.587 165 HG21 ILE 21 1HG2 ILE 21 8.490 23.339 19.402 166 HG22 ILE 21 2HG2 ILE 21 8.004 23.148 17.718 167 HG23 ILE 21 3HG2 ILE 21 7.125 24.258 18.770 168 HD11 ILE 21 3HD1 ILE 21 5.277 24.306 17.885 169 HD12 ILE 21 1HD1 ILE 21 3.751 23.427 17.805 170 HD13 ILE 21 2HD1 ILE 21 4.492 23.767 19.369 171 H ILE 22 H ILE 22 9.752 20.782 18.022 172 HA ILE 22 HA ILE 22 11.058 20.899 20.662 173 HB ILE 22 HB ILE 22 13.010 19.806 19.578 174 HG12 ILE 22 1HG1 ILE 22 11.129 19.201 17.296 175 HG13 ILE 22 2HG1 ILE 22 12.298 20.516 17.242 176 HG21 ILE 22 1HG2 ILE 22 11.138 17.727 19.019 177 HG22 ILE 22 2HG2 ILE 22 12.173 17.937 20.430 178 HG23 ILE 22 3HG2 ILE 22 10.566 18.662 20.401 179 HD11 ILE 22 3HD1 ILE 22 13.554 18.933 16.252 180 HD12 ILE 22 1HD1 ILE 22 13.930 18.516 17.923 181 HD13 ILE 22 2HD1 ILE 22 12.704 17.605 17.041 182 H ILE 23 H ILE 23 13.191 21.956 20.689 183 HA ILE 23 HA ILE 23 13.088 24.558 19.678 184 HB ILE 23 HB ILE 23 15.490 23.002 20.641 185 HG12 ILE 23 1HG1 ILE 23 13.933 25.096 22.147 186 HG13 ILE 23 2HG1 ILE 23 13.477 23.396 22.194 187 HG21 ILE 23 1HG2 ILE 23 15.127 25.865 19.869 188 HG22 ILE 23 2HG2 ILE 23 16.279 25.430 21.130 189 HG23 ILE 23 3HG2 ILE 23 16.458 24.766 19.506 190 HD11 ILE 23 3HD1 ILE 23 15.812 24.773 23.385 191 HD12 ILE 23 1HD1 ILE 23 14.789 23.495 24.041 192 HD13 ILE 23 2HD1 ILE 23 16.022 23.110 22.839 193 H LYS 24 H LYS 24 14.343 21.628 18.300 194 HA LYS 24 HA LYS 24 15.835 22.995 16.230 195 HB2 LYS 24 1HB LYS 24 15.175 20.062 16.555 196 HB3 LYS 24 2HB LYS 24 16.299 20.734 15.381 197 HG2 LYS 24 1HG LYS 24 16.585 20.786 18.378 198 HG3 LYS 24 2HG LYS 24 17.514 19.807 17.240 199 HD2 LYS 24 1HD LYS 24 17.492 22.824 17.343 200 HD3 LYS 24 2HD LYS 24 18.762 21.787 17.996 201 HE2 LYS 24 1HE LYS 24 18.868 20.821 15.596 202 HE3 LYS 24 2HE LYS 24 18.013 22.294 15.141 203 HZ1 LYS 24 3HZ LYS 24 20.508 22.377 16.725 204 HZ2 LYS 24 1HZ LYS 24 19.786 23.620 15.834 205 HZ3 LYS 24 2HZ LYS 24 20.533 22.331 15.034 206 H CYS 25 H CYS 25 12.669 22.688 16.723 207 HA CYS 25 HA CYS 25 11.967 22.036 13.954 208 HG CYS 25 HG CYS 25 10.307 20.661 13.256 209 HB2 CYS 25 1HB CYS 25 10.766 21.346 16.335 210 HB3 CYS 25 2HB CYS 25 9.769 22.684 15.779 211 H GLN 26 H GLN 26 10.347 23.409 12.871 212 HA GLN 26 HA GLN 26 10.406 26.212 13.730 213 HB2 GLN 26 1HB GLN 26 10.951 25.347 10.888 214 HB3 GLN 26 2HB GLN 26 10.985 26.987 11.520 215 HG2 GLN 26 1HG GLN 26 12.953 26.574 12.757 216 HG3 GLN 26 2HG GLN 26 12.833 24.835 12.498 217 HE21 GLN 26 2HE2 GLN 26 12.489 27.519 10.223 218 HE22 GLN 26 1HE2 GLN 26 13.779 27.033 9.182 219 H CYS 27 H CYS 27 8.475 27.160 13.615 220 HA CYS 27 HA CYS 27 6.446 26.000 11.828 221 HG CYS 27 HG CYS 27 6.147 28.473 15.112 222 HB2 CYS 27 1HB CYS 27 4.751 26.510 13.605 223 HB3 CYS 27 2HB CYS 27 5.886 25.235 14.033 224 H TRP 28 H TRP 28 4.501 27.559 11.661 225 HA TRP 28 HA TRP 28 5.599 30.206 11.053 226 HD1 TRP 28 HD1 TRP 28 4.933 27.024 8.913 227 HE1 TRP 28 HE1 TRP 28 6.308 27.283 6.752 228 HE3 TRP 28 HE3 TRP 28 4.594 32.093 8.337 229 HZ2 TRP 28 HZ2 TRP 28 7.139 29.361 5.032 230 HZ3 TRP 28 HZ3 TRP 28 5.708 33.138 6.408 231 HH2 TRP 28 HH2 TRP 28 6.954 31.799 4.791 232 HB2 TRP 28 1HB TRP 28 3.157 28.723 10.090 233 HB3 TRP 28 2HB TRP 28 3.390 30.442 9.780 234 H VAL 29 H VAL 29 4.776 32.079 11.889 235 HA VAL 29 HA VAL 29 2.714 31.788 13.976 236 HB VAL 29 HB VAL 29 5.044 33.711 13.956 237 HG11 VAL 29 1HG1 VAL 29 4.015 33.748 16.477 238 HG12 VAL 29 2HG1 VAL 29 3.662 34.942 15.226 239 HG13 VAL 29 3HG1 VAL 29 2.555 33.595 15.499 240 HG21 VAL 29 3HG2 VAL 29 4.498 31.286 15.666 241 HG22 VAL 29 1HG2 VAL 29 5.759 31.446 14.444 242 HG23 VAL 29 2HG2 VAL 29 5.821 32.427 15.908 243 H GLN 30 H GLN 30 1.142 33.368 14.140 244 HA GLN 30 HA GLN 30 0.637 34.860 11.724 245 HB2 GLN 30 1HB GLN 30 -1.217 33.735 12.803 246 HB3 GLN 30 2HB GLN 30 -0.924 34.612 14.299 247 HG2 GLN 30 1HG GLN 30 -1.564 36.687 13.267 248 HG3 GLN 30 2HG GLN 30 -1.722 35.897 11.699 249 HE21 GLN 30 2HE2 GLN 30 -3.501 34.613 11.284 250 HE22 GLN 30 1HE2 GLN 30 -4.902 34.610 12.293 251 H LYS 31 H LYS 31 1.333 36.851 11.371 252 HA LYS 31 HA LYS 31 1.455 38.753 13.587 253 HB2 LYS 31 1HB LYS 31 3.761 37.740 12.034 254 HB3 LYS 31 2HB LYS 31 3.704 39.481 12.274 255 HG2 LYS 31 1HG LYS 31 3.586 37.424 14.470 256 HG3 LYS 31 2HG LYS 31 5.023 38.331 13.993 257 HD2 LYS 31 1HD LYS 31 3.406 40.391 14.388 258 HD3 LYS 31 2HD LYS 31 2.593 39.238 15.449 259 HE2 LYS 31 1HE LYS 31 5.551 39.536 15.644 260 HE3 LYS 31 2HE LYS 31 4.525 40.789 16.340 261 HZ1 LYS 31 3HZ LYS 31 4.130 37.926 16.967 262 HZ2 LYS 31 1HZ LYS 31 3.562 39.276 17.814 263 HZ3 LYS 31 2HZ LYS 31 5.208 38.890 17.845 264 H ASN 32 H ASN 32 0.658 40.685 13.040 265 HA ASN 32 HA ASN 32 -0.366 42.297 11.797 266 HB2 ASN 32 1HB ASN 32 1.789 41.720 9.760 267 HB3 ASN 32 2HB ASN 32 0.937 43.239 10.018 268 HD21 ASN 32 2HD2 ASN 32 3.770 41.722 10.499 269 HD22 ASN 32 1HD2 ASN 32 4.348 42.586 11.879 270 H ASP 33 H ASP 33 -1.765 40.051 11.567 271 HA ASP 33 HA ASP 33 -3.242 38.879 10.289 272 HB2 ASP 33 1HB ASP 33 -3.757 41.398 9.798 273 HB3 ASP 33 2HB ASP 33 -3.094 41.032 8.207 274 H GLU 34 H GLU 34 -0.358 38.491 9.813 275 HA GLU 34 HA GLU 34 -0.598 37.186 7.200 276 HB2 GLU 34 1HB GLU 34 1.433 39.208 8.017 277 HB3 GLU 34 2HB GLU 34 1.970 37.860 7.024 278 HG2 GLU 34 1HG GLU 34 -0.355 39.605 6.275 279 HG3 GLU 34 2HG GLU 34 1.305 39.963 5.804 280 H GLU 35 H GLU 35 1.550 35.802 6.894 281 HA GLU 35 HA GLU 35 2.020 34.389 9.438 282 HB2 GLU 35 1HB GLU 35 1.687 33.250 6.660 283 HB3 GLU 35 2HB GLU 35 2.275 32.320 8.031 284 HG2 GLU 35 1HG GLU 35 0.008 31.799 7.880 285 HG3 GLU 35 2HG GLU 35 0.115 32.963 9.199 286 H ARG 36 H ARG 36 4.068 34.295 10.066 287 HA ARG 36 HA ARG 36 6.180 34.569 8.031 288 HE ARG 36 HE ARG 36 7.462 37.612 6.928 289 HB2 ARG 36 1HB ARG 36 6.326 35.685 10.833 290 HB3 ARG 36 2HB ARG 36 7.474 35.934 9.524 291 HG2 ARG 36 1HG ARG 36 4.960 36.795 8.583 292 HG3 ARG 36 2HG ARG 36 5.167 37.459 10.205 293 HD2 ARG 36 1HD ARG 36 6.275 39.084 9.097 294 HD3 ARG 36 2HD ARG 36 7.611 37.938 9.195 295 HH11 ARG 36 1HH1 ARG 36 4.628 39.296 8.048 296 HH12 ARG 36 2HH1 ARG 36 4.045 39.644 6.454 297 HH21 ARG 36 1HH2 ARG 36 6.704 38.064 4.824 298 HH22 ARG 36 2HH2 ARG 36 5.226 38.942 4.621 299 H LEU 37 H LEU 37 7.827 33.146 8.133 300 HA LEU 37 HA LEU 37 7.573 30.812 9.694 301 HG LEU 37 HG LEU 37 9.812 29.446 9.683 302 HB2 LEU 37 1HB LEU 37 8.727 31.060 7.462 303 HB3 LEU 37 2HB LEU 37 10.084 31.767 8.338 304 HD11 LEU 37 1HD1 LEU 37 8.022 28.586 8.334 305 HD12 LEU 37 2HD1 LEU 37 9.485 27.663 7.993 306 HD13 LEU 37 3HD1 LEU 37 8.933 28.891 6.855 307 HD21 LEU 37 3HD2 LEU 37 11.732 30.600 8.257 308 HD22 LEU 37 1HD2 LEU 37 11.330 29.296 7.140 309 HD23 LEU 37 2HD2 LEU 37 11.836 28.921 8.788 310 H ALA 38 H ALA 38 8.302 30.293 11.658 311 HA ALA 38 HA ALA 38 10.388 31.958 12.886 312 HB1 ALA 38 1HB ALA 38 9.160 32.557 14.682 313 HB2 ALA 38 2HB ALA 38 7.814 32.332 13.563 314 HB3 ALA 38 3HB ALA 38 8.244 31.050 14.695 315 H GLU 39 H GLU 39 11.899 30.848 13.993 316 HA GLU 39 HA GLU 39 11.573 27.939 14.145 317 HB2 GLU 39 1HB GLU 39 13.543 28.577 12.959 318 HB3 GLU 39 2HB GLU 39 14.004 29.723 14.210 319 HG2 GLU 39 1HG GLU 39 14.412 27.887 15.758 320 HG3 GLU 39 2HG GLU 39 13.929 26.730 14.519 321 H ILE 40 H ILE 40 11.754 26.807 16.033 322 HA ILE 40 HA ILE 40 11.173 28.201 18.452 323 HB ILE 40 HB ILE 40 11.980 25.306 18.206 324 HG12 ILE 40 1HG1 ILE 40 10.164 25.849 16.614 325 HG13 ILE 40 2HG1 ILE 40 9.622 24.778 17.901 326 HG21 ILE 40 1HG2 ILE 40 10.443 26.887 20.251 327 HG22 ILE 40 2HG2 ILE 40 10.409 25.126 20.180 328 HG23 ILE 40 3HG2 ILE 40 11.931 25.966 20.474 329 HD11 ILE 40 3HD1 ILE 40 8.605 26.679 19.047 330 HD12 ILE 40 1HD1 ILE 40 9.140 27.744 17.747 331 HD13 ILE 40 2HD1 ILE 40 7.961 26.473 17.419 332 H LEU 41 H LEU 41 12.431 28.550 20.243 333 HA LEU 41 HA LEU 41 15.305 27.964 19.957 334 HG LEU 41 HG LEU 41 14.387 30.592 18.659 335 HB2 LEU 41 1HB LEU 41 13.934 30.414 21.033 336 HB3 LEU 41 2HB LEU 41 15.629 30.053 21.355 337 HD11 LEU 41 1HD1 LEU 41 16.268 32.177 20.398 338 HD12 LEU 41 2HD1 LEU 41 14.626 32.611 19.925 339 HD13 LEU 41 3HD1 LEU 41 15.907 32.557 18.714 340 HD21 LEU 41 3HD2 LEU 41 16.072 29.360 17.865 341 HD22 LEU 41 1HD2 LEU 41 16.878 29.294 19.433 342 HD23 LEU 41 2HD2 LEU 41 17.119 30.686 18.377 343 H SER 42 H SER 42 12.548 28.226 22.106 344 HA SER 42 HA SER 42 13.713 26.324 23.918 345 HG SER 42 HG SER 42 14.983 27.154 26.001 346 HB2 SER 42 1HB SER 42 14.579 28.714 24.543 347 HB3 SER 42 2HB SER 42 12.957 28.931 25.200 348 H ILE 43 H ILE 43 12.203 25.527 25.474 349 HA ILE 43 HA ILE 43 9.409 26.258 24.886 350 HB ILE 43 HB ILE 43 10.473 23.511 25.553 351 HG12 ILE 43 1HG1 ILE 43 9.156 24.424 22.996 352 HG13 ILE 43 2HG1 ILE 43 10.902 24.434 23.218 353 HG21 ILE 43 1HG2 ILE 43 8.408 23.143 26.310 354 HG22 ILE 43 2HG2 ILE 43 7.813 24.672 25.667 355 HG23 ILE 43 3HG2 ILE 43 7.890 23.249 24.628 356 HD11 ILE 43 3HD1 ILE 43 10.574 22.428 22.163 357 HD12 ILE 43 1HD1 ILE 43 10.553 21.936 23.857 358 HD13 ILE 43 2HD1 ILE 43 9.037 22.128 22.975 359 H ASN 44 H ASN 44 8.204 26.852 26.569 360 HA ASN 44 HA ASN 44 9.167 26.190 29.275 361 HB2 ASN 44 1HB ASN 44 9.522 28.559 28.825 362 HB3 ASN 44 2HB ASN 44 7.840 28.743 28.337 363 HD21 ASN 44 2HD2 ASN 44 7.169 30.151 29.852 364 HD22 ASN 44 1HD2 ASN 44 7.150 29.823 31.548 365 H THR 45 H THR 45 7.844 24.570 29.873 366 HA THR 45 HA THR 45 4.966 24.824 29.378 367 HB THR 45 HB THR 45 4.834 22.454 30.103 368 HG1 THR 45 HG1 THR 45 6.497 21.633 31.105 369 HG21 THR 45 3HG2 THR 45 6.959 22.347 28.064 370 HG22 THR 45 1HG2 THR 45 5.611 23.421 27.696 371 HG23 THR 45 2HG2 THR 45 5.314 21.713 28.021 372 H ARG 46 H ARG 46 5.228 26.620 31.102 373 HA ARG 46 HA ARG 46 4.810 25.416 33.760 374 HE ARG 46 HE ARG 46 6.038 24.355 35.129 375 HB2 ARG 46 1HB ARG 46 6.259 27.888 32.920 376 HB3 ARG 46 2HB ARG 46 5.442 27.881 34.477 377 HG2 ARG 46 1HG ARG 46 7.274 25.635 33.786 378 HG3 ARG 46 2HG ARG 46 7.949 27.188 34.284 379 HD2 ARG 46 1HD ARG 46 7.770 26.119 36.309 380 HD3 ARG 46 2HD ARG 46 6.227 26.968 36.240 381 HH11 ARG 46 1HH1 ARG 46 6.155 26.103 38.137 382 HH12 ARG 46 2HH1 ARG 46 5.284 24.895 39.023 383 HH21 ARG 46 1HH2 ARG 46 4.890 22.758 36.285 384 HH22 ARG 46 2HH2 ARG 46 4.566 22.993 37.969 385 H LYS 47 H LYS 47 3.086 26.429 31.330 386 HA LYS 47 HA LYS 47 1.030 27.618 33.041 387 HB2 LYS 47 1HB LYS 47 2.459 29.002 30.953 388 HB3 LYS 47 2HB LYS 47 0.753 28.886 30.543 389 HG2 LYS 47 1HG LYS 47 0.545 29.665 33.100 390 HG3 LYS 47 2HG LYS 47 2.092 30.406 32.684 391 HD2 LYS 47 1HD LYS 47 0.212 30.827 30.560 392 HD3 LYS 47 2HD LYS 47 -0.493 31.349 32.091 393 HE2 LYS 47 1HE LYS 47 1.313 32.836 32.509 394 HE3 LYS 47 2HE LYS 47 2.263 32.156 31.189 395 HZ1 LYS 47 3HZ LYS 47 1.346 34.216 30.469 396 HZ2 LYS 47 1HZ LYS 47 -0.213 33.776 30.959 397 HZ3 LYS 47 2HZ LYS 47 0.518 32.985 29.654 398 H ALA 48 H ALA 48 -1.078 27.840 31.616 399 HA ALA 48 HA ALA 48 -1.331 25.558 29.797 400 HB1 ALA 48 1HB ALA 48 -3.577 25.102 31.032 401 HB2 ALA 48 2HB ALA 48 -2.068 24.464 31.688 402 HB3 ALA 48 3HB ALA 48 -2.785 25.919 32.380 403 HA PRO 49 HA PRO 49 -1.598 25.350 27.946 404 HB2 PRO 49 1HB PRO 49 -0.937 26.636 25.648 405 HB3 PRO 49 2HB PRO 49 -2.467 25.776 25.862 406 HG2 PRO 49 1HG PRO 49 -1.894 28.707 26.079 407 HG3 PRO 49 2HG PRO 49 -3.263 27.889 25.304 408 HD2 PRO 49 1HD PRO 49 -3.437 29.008 27.763 409 HD3 PRO 49 2HD PRO 49 -4.364 27.565 27.302 410 HA PRO 50 HA PRO 50 2.447 26.740 28.966 411 HB2 PRO 50 1HB PRO 50 3.989 25.397 27.179 412 HB3 PRO 50 2HB PRO 50 3.184 24.606 28.539 413 HG2 PRO 50 1HG PRO 50 2.349 24.751 25.668 414 HG3 PRO 50 2HG PRO 50 2.312 23.366 26.775 415 HD2 PRO 50 1HD PRO 50 0.107 24.827 26.197 416 HD3 PRO 50 2HD PRO 50 0.356 24.059 27.778 417 H LYS 51 H LYS 51 4.595 27.481 27.808 418 HA LYS 51 HA LYS 51 3.859 29.342 25.644 419 HB2 LYS 51 1HB LYS 51 5.460 29.783 28.137 420 HB3 LYS 51 2HB LYS 51 5.810 30.737 26.701 421 HG2 LYS 51 1HG LYS 51 3.362 31.358 26.673 422 HG3 LYS 51 2HG LYS 51 3.256 30.634 28.279 423 HD2 LYS 51 1HD LYS 51 4.793 32.204 29.182 424 HD3 LYS 51 2HD LYS 51 5.242 32.786 27.577 425 HE2 LYS 51 1HE LYS 51 2.785 33.464 27.341 426 HE3 LYS 51 2HE LYS 51 2.680 33.221 29.084 427 HZ1 LYS 51 3HZ LYS 51 3.957 35.345 27.589 428 HZ2 LYS 51 1HZ LYS 51 4.860 34.757 28.893 429 HZ3 LYS 51 2HZ LYS 51 3.301 35.360 29.148 430 H PHE 52 H PHE 52 5.433 29.781 24.068 431 HA PHE 52 HA PHE 52 7.800 28.038 24.097 432 HD1 PHE 52 HD2 PHE 52 4.063 27.701 23.165 433 HD2 PHE 52 HD1 PHE 52 7.470 25.287 22.340 434 HE1 PHE 52 HE2 PHE 52 2.793 25.694 23.809 435 HE2 PHE 52 HE1 PHE 52 6.205 23.276 22.981 436 HZ PHE 52 HZ PHE 52 3.864 23.479 23.718 437 HB2 PHE 52 1HB PHE 52 5.976 28.481 21.723 438 HB3 PHE 52 2HB PHE 52 7.465 27.541 21.715 439 H TYR 53 H TYR 53 9.623 28.830 23.037 440 HA TYR 53 HA TYR 53 9.568 31.722 22.565 441 HD1 TYR 53 HD1 TYR 53 10.229 33.128 23.910 442 HD2 TYR 53 HD2 TYR 53 13.972 31.517 22.688 443 HE1 TYR 53 HE1 TYR 53 11.246 35.359 24.105 444 HE2 TYR 53 HE2 TYR 53 15.000 33.743 22.881 445 HH TYR 53 HH TYR 53 13.095 36.605 23.433 446 HB2 TYR 53 1HB TYR 53 11.220 30.425 24.164 447 HB3 TYR 53 2HB TYR 53 12.108 30.147 22.670 448 H VAL 54 H VAL 54 9.268 32.291 20.518 449 HA VAL 54 HA VAL 54 10.454 30.635 18.393 450 HB VAL 54 HB VAL 54 8.877 31.881 16.874 451 HG11 VAL 54 1HG1 VAL 54 8.520 29.597 18.160 452 HG12 VAL 54 2HG1 VAL 54 7.211 30.508 18.916 453 HG13 VAL 54 3HG1 VAL 54 7.250 30.307 17.164 454 HG21 VAL 54 3HG2 VAL 54 8.468 33.812 18.305 455 HG22 VAL 54 1HG2 VAL 54 6.956 32.998 17.904 456 HG23 VAL 54 2HG2 VAL 54 7.682 32.777 19.496 457 H HIS 55 H HIS 55 11.404 31.719 16.558 458 HA HIS 55 HA HIS 55 12.245 34.486 17.014 459 HD1 HIS 55 HD1 HIS 55 14.207 35.833 16.026 460 HD2 HIS 55 HD2 HIS 55 16.355 32.345 15.336 461 HE1 HIS 55 HE1 HIS 55 16.109 36.501 14.522 462 HB2 HIS 55 1HB HIS 55 14.139 33.435 17.885 463 HB3 HIS 55 2HB HIS 55 14.047 32.102 16.737 464 H TYR 56 H TYR 56 11.791 35.617 15.255 465 HA TYR 56 HA TYR 56 11.079 34.406 12.789 466 HD1 TYR 56 HD1 TYR 56 10.478 37.346 15.531 467 HD2 TYR 56 HD2 TYR 56 8.606 35.942 11.977 468 HE1 TYR 56 HE1 TYR 56 8.284 37.509 16.630 469 HE2 TYR 56 HE2 TYR 56 6.406 36.102 13.066 470 HH TYR 56 HH TYR 56 6.038 36.534 16.410 471 HB2 TYR 56 1HB TYR 56 11.681 37.304 13.418 472 HB3 TYR 56 2HB TYR 56 10.908 36.720 11.949 473 H VAL 57 H VAL 57 12.512 33.462 11.498 474 HA VAL 57 HA VAL 57 15.276 33.937 11.487 475 HB VAL 57 HB VAL 57 13.655 32.791 9.212 476 HG11 VAL 57 1HG1 VAL 57 16.558 32.608 9.980 477 HG12 VAL 57 2HG1 VAL 57 15.792 31.500 8.840 478 HG13 VAL 57 3HG1 VAL 57 15.866 33.226 8.481 479 HG21 VAL 57 3HG2 VAL 57 14.699 30.660 10.562 480 HG22 VAL 57 1HG2 VAL 57 14.263 31.750 11.878 481 HG23 VAL 57 2HG2 VAL 57 13.041 31.241 10.713 482 H ASN 58 H ASN 58 12.716 35.108 9.326 483 HA ASN 58 HA ASN 58 14.342 36.476 7.510 484 HB2 ASN 58 1HB ASN 58 11.501 37.017 8.393 485 HB3 ASN 58 2HB ASN 58 12.278 37.835 7.041 486 HD21 ASN 58 2HD2 ASN 58 13.317 36.265 5.441 487 HD22 ASN 58 1HD2 ASN 58 12.352 34.903 4.993 488 H TYR 59 H TYR 59 13.429 37.242 10.745 489 HA TYR 59 HA TYR 59 14.466 39.978 10.440 490 HD1 TYR 59 HD2 TYR 59 12.900 41.085 9.722 491 HD2 TYR 59 HD1 TYR 59 10.445 39.016 12.514 492 HE1 TYR 59 HE2 TYR 59 10.904 41.739 8.442 493 HE2 TYR 59 HE1 TYR 59 8.442 39.664 11.241 494 HH TYR 59 HH TYR 59 8.663 41.195 8.122 495 HB2 TYR 59 1HB TYR 59 12.769 38.789 12.644 496 HB3 TYR 59 2HB TYR 59 13.345 40.452 12.592 497 H ASN 60 H ASN 60 15.259 40.631 12.901 498 HA ASN 60 HA ASN 60 17.661 39.037 13.229 499 HB2 ASN 60 1HB ASN 60 16.747 41.674 14.375 500 HB3 ASN 60 2HB ASN 60 18.221 40.875 14.915 501 HD21 ASN 60 2HD2 ASN 60 16.581 41.957 11.971 502 HD22 ASN 60 1HD2 ASN 60 18.018 42.439 11.141 503 H LYS 61 H LYS 61 18.423 38.794 15.606 504 HA LYS 61 HA LYS 61 16.626 37.019 16.890 505 HB2 LYS 61 1HB LYS 61 18.340 36.877 18.644 506 HB3 LYS 61 2HB LYS 61 19.044 36.725 17.040 507 HG2 LYS 61 1HG LYS 61 19.047 39.475 17.821 508 HG3 LYS 61 2HG LYS 61 19.776 38.494 19.094 509 HD2 LYS 61 1HD LYS 61 20.574 37.937 16.288 510 HD3 LYS 61 2HD LYS 61 21.183 39.414 17.038 511 HE2 LYS 61 1HE LYS 61 22.288 38.221 18.736 512 HE3 LYS 61 2HE LYS 61 21.392 36.742 18.393 513 HZ1 LYS 61 3HZ LYS 61 22.637 37.254 16.049 514 HZ2 LYS 61 1HZ LYS 61 23.188 36.172 17.227 515 HZ3 LYS 61 2HZ LYS 61 23.794 37.751 17.179 516 H ARG 62 H ARG 62 16.855 40.375 16.928 517 HA ARG 62 HA ARG 62 15.966 40.782 19.639 518 HE ARG 62 HE ARG 62 17.754 45.215 17.934 519 HB2 ARG 62 1HB ARG 62 15.899 43.117 19.092 520 HB3 ARG 62 2HB ARG 62 17.358 42.436 18.386 521 HG2 ARG 62 1HG ARG 62 15.808 42.173 16.274 522 HG3 ARG 62 2HG ARG 62 14.911 43.473 17.061 523 HD2 ARG 62 1HD ARG 62 17.852 43.525 16.392 524 HD3 ARG 62 2HD ARG 62 16.579 44.324 15.470 525 HH11 ARG 62 1HH1 ARG 62 14.937 45.357 15.893 526 HH12 ARG 62 2HH1 ARG 62 14.401 46.881 16.518 527 HH21 ARG 62 1HH2 ARG 62 17.058 47.222 18.765 528 HH22 ARG 62 2HH2 ARG 62 15.608 47.942 18.151 529 H LEU 63 H LEU 63 14.461 39.554 17.019 530 HA LEU 63 HA LEU 63 11.892 40.870 17.515 531 HG LEU 63 HG LEU 63 11.741 40.853 13.859 532 HB2 LEU 63 1HB LEU 63 13.085 39.373 15.268 533 HB3 LEU 63 2HB LEU 63 11.358 39.141 15.527 534 HD11 LEU 63 1HD1 LEU 63 9.941 41.014 15.750 535 HD12 LEU 63 2HD1 LEU 63 10.193 42.358 14.637 536 HD13 LEU 63 3HD1 LEU 63 10.893 42.410 16.255 537 HD21 LEU 63 3HD2 LEU 63 12.996 42.805 14.216 538 HD22 LEU 63 1HD2 LEU 63 14.003 41.496 14.837 539 HD23 LEU 63 2HD2 LEU 63 13.102 42.521 15.955 540 H ASP 64 H ASP 64 13.585 37.885 17.980 541 HA ASP 64 HA ASP 64 11.541 36.054 18.278 542 HB2 ASP 64 1HB ASP 64 13.043 34.735 19.559 543 HB3 ASP 64 2HB ASP 64 14.046 35.644 18.431 544 H GLU 65 H GLU 65 10.525 35.187 20.209 545 HA GLU 65 HA GLU 65 10.487 36.535 22.678 546 HB2 GLU 65 1HB GLU 65 8.287 37.604 22.575 547 HB3 GLU 65 2HB GLU 65 9.392 38.316 21.407 548 HG2 GLU 65 1HG GLU 65 8.334 36.697 19.722 549 HG3 GLU 65 2HG GLU 65 7.057 36.510 20.922 550 H TRP 66 H TRP 66 8.134 35.997 23.756 551 HA TRP 66 HA TRP 66 7.888 33.096 23.415 552 HD1 TRP 66 HD1 TRP 66 9.364 36.041 25.848 553 HE1 TRP 66 HE1 TRP 66 11.550 35.202 26.917 554 HE3 TRP 66 HE3 TRP 66 8.277 31.053 26.110 555 HZ2 TRP 66 HZ2 TRP 66 12.666 32.750 27.759 556 HZ3 TRP 66 HZ3 TRP 66 9.958 29.528 27.061 557 HH2 TRP 66 HH2 TRP 66 12.107 30.361 27.867 558 HB2 TRP 66 1HB TRP 66 6.910 34.840 25.686 559 HB3 TRP 66 2HB TRP 66 6.906 33.079 25.646 560 H ILE 67 H ILE 67 6.168 32.257 22.448 561 HA ILE 67 HA ILE 67 3.705 33.873 22.315 562 HB ILE 67 HB ILE 67 3.222 32.824 20.143 563 HG12 ILE 67 1HG1 ILE 67 6.057 31.799 20.156 564 HG13 ILE 67 2HG1 ILE 67 4.699 30.797 20.654 565 HG21 ILE 67 1HG2 ILE 67 4.437 34.338 18.938 566 HG22 ILE 67 2HG2 ILE 67 4.692 34.972 20.563 567 HG23 ILE 67 3HG2 ILE 67 5.937 33.985 19.796 568 HD11 ILE 67 3HD1 ILE 67 3.681 31.142 18.436 569 HD12 ILE 67 1HD1 ILE 67 5.114 32.047 17.951 570 HD13 ILE 67 2HD1 ILE 67 5.249 30.338 18.364 571 H THR 68 H THR 68 1.708 32.684 22.206 572 HA THR 68 HA THR 68 1.863 30.166 23.702 573 HB THR 68 HB THR 68 -0.740 30.663 23.805 574 HG1 THR 68 HG1 THR 68 -1.175 32.856 23.718 575 HG21 THR 68 3HG2 THR 68 -0.364 31.889 25.902 576 HG22 THR 68 1HG2 THR 68 1.315 32.160 25.438 577 HG23 THR 68 2HG2 THR 68 0.738 30.522 25.744 578 H THR 69 H THR 69 -0.102 28.672 23.206 579 HA THR 69 HA THR 69 0.257 27.549 20.691 580 HB THR 69 HB THR 69 -1.645 26.143 21.144 581 HG1 THR 69 HG1 THR 69 -3.163 26.662 22.681 582 HG21 THR 69 3HG2 THR 69 0.387 25.754 22.488 583 HG22 THR 69 1HG2 THR 69 -1.079 25.292 23.352 584 HG23 THR 69 2HG2 THR 69 -0.262 26.804 23.748 585 H ASP 70 H ASP 70 -2.191 29.836 21.815 586 HA ASP 70 HA ASP 70 -3.758 29.813 19.459 587 HB2 ASP 70 1HB ASP 70 -4.291 30.752 21.837 588 HB3 ASP 70 2HB ASP 70 -3.548 32.227 21.227 589 H ARG 71 H ARG 71 -0.681 31.050 20.089 590 HA ARG 71 HA ARG 71 -0.871 33.073 17.977 591 HE ARG 71 HE ARG 71 0.498 36.528 22.227 592 HB2 ARG 71 1HB ARG 71 1.262 32.483 20.030 593 HB3 ARG 71 2HB ARG 71 1.467 33.655 18.736 594 HG2 ARG 71 1HG ARG 71 -0.769 34.634 19.696 595 HG3 ARG 71 2HG ARG 71 -0.258 33.780 21.153 596 HD2 ARG 71 1HD ARG 71 1.828 34.983 21.185 597 HD3 ARG 71 2HD ARG 71 1.455 35.743 19.638 598 HH11 ARG 71 1HH1 ARG 71 -0.158 36.573 18.809 599 HH12 ARG 71 2HH1 ARG 71 -1.165 37.980 18.888 600 HH21 ARG 71 1HH2 ARG 71 -0.826 38.381 22.345 601 HH22 ARG 71 2HH2 ARG 71 -1.544 39.009 20.900 602 H ILE 72 H ILE 72 -0.332 29.873 18.153 603 HA ILE 72 HA ILE 72 1.852 29.832 16.198 604 HB ILE 72 HB ILE 72 0.552 27.545 17.680 605 HG12 ILE 72 1HG1 ILE 72 3.334 28.655 18.043 606 HG13 ILE 72 2HG1 ILE 72 1.965 29.193 19.010 607 HG21 ILE 72 1HG2 ILE 72 2.399 26.195 16.807 608 HG22 ILE 72 2HG2 ILE 72 1.404 26.852 15.509 609 HG23 ILE 72 3HG2 ILE 72 2.967 27.580 15.876 610 HD11 ILE 72 3HD1 ILE 72 2.955 27.590 20.341 611 HD12 ILE 72 1HD1 ILE 72 1.661 26.691 19.549 612 HD13 ILE 72 2HD1 ILE 72 3.322 26.535 18.976 613 H ASN 73 H ASN 73 1.632 28.931 14.167 614 HA ASN 73 HA ASN 73 -1.130 28.698 13.216 615 HB2 ASN 73 1HB ASN 73 0.761 30.226 12.182 616 HB3 ASN 73 2HB ASN 73 1.217 28.734 11.364 617 HD21 ASN 73 2HD2 ASN 73 0.551 28.943 9.347 618 HD22 ASN 73 1HD2 ASN 73 -1.041 29.400 8.853 619 H LEU 74 H LEU 74 -1.838 26.659 13.412 620 HA LEU 74 HA LEU 74 -0.047 24.434 12.805 621 HG LEU 74 HG LEU 74 -1.741 23.351 15.914 622 HB2 LEU 74 1HB LEU 74 -2.664 24.727 14.196 623 HB3 LEU 74 2HB LEU 74 -2.252 23.165 13.491 624 HD11 LEU 74 1HD1 LEU 74 -0.398 21.693 15.272 625 HD12 LEU 74 2HD1 LEU 74 0.902 22.883 15.309 626 HD13 LEU 74 3HD1 LEU 74 0.072 22.531 13.793 627 HD21 LEU 74 3HD2 LEU 74 0.635 25.019 15.319 628 HD22 LEU 74 1HD2 LEU 74 -0.315 24.881 16.798 629 HD23 LEU 74 2HD2 LEU 74 -0.922 25.839 15.447 630 H ASP 75 H ASP 75 -1.321 26.326 10.800 631 HA ASP 75 HA ASP 75 -2.901 24.415 9.237 632 HB2 ASP 75 1HB ASP 75 -3.789 26.723 9.597 633 HB3 ASP 75 2HB ASP 75 -2.414 27.349 8.692 634 H LYS 76 H LYS 76 0.178 25.968 9.362 635 HA LYS 76 HA LYS 76 0.821 25.124 6.629 636 HB2 LYS 76 1HB LYS 76 1.754 27.243 8.413 637 HB3 LYS 76 2HB LYS 76 3.071 26.369 7.641 638 HG2 LYS 76 1HG LYS 76 2.668 27.296 5.653 639 HG3 LYS 76 2HG LYS 76 0.923 27.082 5.803 640 HD2 LYS 76 1HD LYS 76 0.674 29.091 7.002 641 HD3 LYS 76 2HD LYS 76 2.405 29.203 7.332 642 HE2 LYS 76 1HE LYS 76 2.330 29.162 4.596 643 HE3 LYS 76 2HE LYS 76 0.870 30.066 4.995 644 HZ1 LYS 76 3HZ LYS 76 3.582 30.896 5.130 645 HZ2 LYS 76 1HZ LYS 76 2.834 31.074 6.637 646 HZ3 LYS 76 2HZ LYS 76 2.173 31.821 5.271 647 H GLU 77 H GLU 77 2.591 23.785 6.177 648 HA GLU 77 HA GLU 77 2.988 21.628 7.911 649 HB2 GLU 77 1HB GLU 77 4.810 22.506 5.666 650 HB3 GLU 77 2HB GLU 77 4.711 20.896 6.364 651 HG2 GLU 77 1HG GLU 77 2.563 20.528 5.454 652 HG3 GLU 77 2HG GLU 77 2.382 22.226 5.016 653 H VAL 78 H VAL 78 4.744 20.990 9.181 654 HA VAL 78 HA VAL 78 6.333 23.223 10.221 655 HB VAL 78 HB VAL 78 5.985 20.476 11.426 656 HG11 VAL 78 1HG1 VAL 78 7.051 23.066 12.547 657 HG12 VAL 78 2HG1 VAL 78 6.767 21.597 13.484 658 HG13 VAL 78 3HG1 VAL 78 7.976 21.605 12.200 659 HG21 VAL 78 3HG2 VAL 78 4.433 21.656 13.008 660 HG22 VAL 78 1HG2 VAL 78 4.455 23.027 11.899 661 HG23 VAL 78 2HG2 VAL 78 3.820 21.471 11.365 662 H LEU 79 H LEU 79 8.572 23.075 10.493 663 HA LEU 79 HA LEU 79 9.863 21.105 8.735 664 HG LEU 79 HG LEU 79 11.402 24.004 7.156 665 HB2 LEU 79 1HB LEU 79 10.253 23.933 9.242 666 HB3 LEU 79 2HB LEU 79 11.752 23.022 9.414 667 HD11 LEU 79 1HD1 LEU 79 12.359 22.216 6.058 668 HD12 LEU 79 2HD1 LEU 79 11.353 21.030 6.886 669 HD13 LEU 79 3HD1 LEU 79 12.676 21.816 7.746 670 HD21 LEU 79 3HD2 LEU 79 8.835 23.279 7.386 671 HD22 LEU 79 1HD2 LEU 79 9.445 21.895 6.479 672 HD23 LEU 79 2HD2 LEU 79 9.631 23.525 5.832 673 H TYR 80 H TYR 80 11.128 19.582 9.573 674 HA TYR 80 HA TYR 80 11.921 19.837 12.396 675 HD1 TYR 80 HD1 TYR 80 8.823 18.357 11.165 676 HD2 TYR 80 HD2 TYR 80 11.478 17.288 14.313 677 HE1 TYR 80 HE1 TYR 80 6.926 18.270 12.727 678 HE2 TYR 80 HE2 TYR 80 9.588 17.197 15.884 679 HH TYR 80 HH TYR 80 6.442 18.353 15.042 680 HB2 TYR 80 1HB TYR 80 11.109 17.505 10.713 681 HB3 TYR 80 2HB TYR 80 12.226 17.237 12.046 682 HA PRO 81 HA PRO 81 16.192 19.715 11.406 683 HB2 PRO 81 1HB PRO 81 17.201 18.148 13.380 684 HB3 PRO 81 2HB PRO 81 16.618 19.793 13.662 685 HG2 PRO 81 1HG PRO 81 15.234 17.183 14.147 686 HG3 PRO 81 2HG PRO 81 15.291 18.627 15.174 687 HD2 PRO 81 1HD PRO 81 13.165 18.040 13.603 688 HD3 PRO 81 2HD PRO 81 13.655 19.708 13.962 689 H LYS 82 H LYS 82 17.816 18.489 10.435 690 HA LYS 82 HA LYS 82 17.108 15.692 9.831 691 HB2 LYS 82 1HB LYS 82 16.799 17.132 7.870 692 HB3 LYS 82 2HB LYS 82 18.457 17.700 8.016 693 HG2 LYS 82 1HG LYS 82 18.624 16.116 6.355 694 HG3 LYS 82 2HG LYS 82 19.075 15.195 7.792 695 HD2 LYS 82 1HD LYS 82 16.574 14.582 7.914 696 HD3 LYS 82 2HD LYS 82 16.508 15.136 6.240 697 HE2 LYS 82 1HE LYS 82 18.070 13.493 5.544 698 HE3 LYS 82 2HE LYS 82 18.488 13.087 7.208 699 HZ1 LYS 82 3HZ LYS 82 16.550 11.905 5.611 700 HZ2 LYS 82 1HZ LYS 82 15.718 12.745 6.821 701 HZ3 LYS 82 2HZ LYS 82 16.879 11.588 7.240 702 H LEU 83 H LEU 83 18.526 14.276 10.586 703 HA LEU 83 HA LEU 83 21.264 15.182 11.153 704 HG LEU 83 HG LEU 83 20.397 13.899 14.493 705 HB2 LEU 83 1HB LEU 83 19.437 13.204 12.394 706 HB3 LEU 83 2HB LEU 83 21.160 12.837 12.413 707 HD11 LEU 83 1HD1 LEU 83 22.455 14.701 14.655 708 HD12 LEU 83 2HD1 LEU 83 22.021 16.093 13.663 709 HD13 LEU 83 3HD1 LEU 83 22.610 14.617 12.900 710 HD21 LEU 83 3HD2 LEU 83 20.047 16.494 13.077 711 HD22 LEU 83 1HD2 LEU 83 19.375 15.944 14.612 712 HD23 LEU 83 2HD2 LEU 83 18.705 15.349 13.093 713 H LYS 84 H LYS 84 22.768 14.598 9.750 714 HA LYS 84 HA LYS 84 22.741 11.902 8.639 715 HB2 LYS 84 1HB LYS 84 22.421 14.408 7.067 716 HB3 LYS 84 2HB LYS 84 23.464 13.161 6.396 717 HG2 LYS 84 1HG LYS 84 20.730 12.444 7.350 718 HG3 LYS 84 2HG LYS 84 20.942 13.224 5.781 719 HD2 LYS 84 1HD LYS 84 22.682 11.405 5.317 720 HD3 LYS 84 2HD LYS 84 22.001 10.572 6.717 721 HE2 LYS 84 1HE LYS 84 20.189 11.552 4.555 722 HE3 LYS 84 2HE LYS 84 21.110 10.069 4.309 723 HZ1 LYS 84 3HZ LYS 84 20.140 9.476 6.631 724 HZ2 LYS 84 1HZ LYS 84 19.195 9.271 5.242 725 HZ3 LYS 84 2HZ LYS 84 18.962 10.622 6.232 726 H ALA 85 H ALA 85 24.749 11.062 8.325 727 HA ALA 85 HA ALA 85 26.940 12.102 9.657 728 HB1 ALA 85 1HB ALA 85 27.153 10.261 7.287 729 HB2 ALA 85 2HB ALA 85 28.228 10.371 8.681 730 HB3 ALA 85 3HB ALA 85 26.597 9.730 8.875 731 H THR 86 H THR 86 28.186 13.796 9.260 732 HA THR 86 HA THR 86 28.686 14.564 6.461 733 HB THR 86 HB THR 86 28.545 16.642 8.620 734 HG1 THR 86 HG1 THR 86 26.410 16.675 8.548 735 HG21 THR 86 3HG2 THR 86 28.235 18.153 6.833 736 HG22 THR 86 1HG2 THR 86 27.839 16.860 5.702 737 HG23 THR 86 2HG2 THR 86 29.492 17.042 6.289 738 H ASP 87 H ASP 87 30.720 15.436 6.003 739 HA ASP 87 HA ASP 87 32.749 14.888 8.059 740 HB2 ASP 87 1HB ASP 87 32.723 13.755 5.702 741 HB3 ASP 87 2HB ASP 87 33.394 15.291 5.157 742 H GLU 88 H GLU 88 32.306 16.966 9.056 743 HA GLU 88 HA GLU 88 33.488 19.215 7.563 744 HB2 GLU 88 1HB GLU 88 31.414 19.257 9.761 745 HB3 GLU 88 2HB GLU 88 32.170 20.691 9.079 746 HG2 GLU 88 1HG GLU 88 31.293 19.774 6.822 747 HG3 GLU 88 2HG GLU 88 30.216 18.812 7.832 748 H ASP 89 H ASP 89 34.969 17.246 9.056 749 HA ASP 89 HA ASP 89 35.918 18.837 11.343 750 HB2 ASP 89 1HB ASP 89 36.733 16.842 12.330 751 HB3 ASP 89 2HB ASP 89 35.134 16.441 11.710 Start of MODEL 8 1 H1 GLY -2 H GLY -2 26.887 -7.418 5.565 2 HA2 GLY -2 1HA GLY -2 25.489 -5.129 4.852 3 HA3 GLY -2 2HA GLY -2 27.094 -4.595 5.329 4 H SER -1 H SER -1 25.318 -5.264 2.724 5 HA SER -1 HA SER -1 27.681 -6.026 1.155 6 HG SER -1 HG SER -1 24.187 -7.774 0.135 7 HB2 SER -1 1HB SER -1 26.275 -7.471 -0.272 8 HB3 SER -1 2HB SER -1 26.313 -8.042 1.396 9 H HIS 0 H HIS 0 27.271 -5.628 -1.244 10 HA HIS 0 HA HIS 0 26.787 -2.941 -1.697 11 HD1 HIS 0 HD1 HIS 0 28.781 -2.209 -2.791 12 HD2 HIS 0 HD2 HIS 0 29.187 -6.159 -4.011 13 HE1 HIS 0 HE1 HIS 0 31.257 -2.600 -2.989 14 HB2 HIS 0 1HB HIS 0 26.675 -5.283 -3.602 15 HB3 HIS 0 2HB HIS 0 26.589 -3.605 -4.127 16 H MET 1 H MET 1 24.953 -1.872 -1.374 17 HA MET 1 HA MET 1 22.392 -3.101 -1.385 18 HB2 MET 1 1HB MET 1 21.516 -0.911 -0.943 19 HB3 MET 1 2HB MET 1 23.007 -1.095 -0.029 20 HG2 MET 1 1HG MET 1 24.174 0.126 -1.885 21 HG3 MET 1 2HG MET 1 22.581 0.471 -2.556 22 HE1 MET 1 3HE MET 1 24.156 0.513 1.139 23 HE2 MET 1 1HE MET 1 25.259 1.292 0.004 24 HE3 MET 1 2HE MET 1 24.444 2.251 1.239 25 H SER 2 H SER 2 20.859 -3.222 -2.935 26 HA SER 2 HA SER 2 21.608 -2.903 -5.647 27 HG SER 2 HG SER 2 18.571 -3.742 -6.767 28 HB2 SER 2 1HB SER 2 19.846 -4.498 -4.573 29 HB3 SER 2 2HB SER 2 18.743 -3.137 -4.774 30 H HIS 3 H HIS 3 19.746 -1.787 -7.101 31 HA HIS 3 HA HIS 3 20.208 0.933 -7.025 32 HD1 HIS 3 HD1 HIS 3 18.660 -1.579 -10.472 33 HD2 HIS 3 HD2 HIS 3 21.199 1.447 -9.184 34 HE1 HIS 3 HE1 HIS 3 20.513 -1.489 -12.170 35 HB2 HIS 3 1HB HIS 3 17.983 -0.674 -8.266 36 HB3 HIS 3 2HB HIS 3 18.081 1.074 -8.459 37 H ASP 4 H ASP 4 19.506 2.547 -5.796 38 HA ASP 4 HA ASP 4 17.015 2.164 -4.268 39 HB2 ASP 4 1HB ASP 4 19.439 3.712 -3.336 40 HB3 ASP 4 2HB ASP 4 17.982 3.364 -2.409 41 H GLY 5 H GLY 5 16.450 4.517 -3.281 42 HA2 GLY 5 1HA GLY 5 16.159 6.214 -5.663 43 HA3 GLY 5 2HA GLY 5 15.119 6.250 -4.247 44 H LYS 6 H LYS 6 16.484 8.454 -5.585 45 HA LYS 6 HA LYS 6 18.610 9.256 -3.792 46 HB2 LYS 6 1HB LYS 6 17.268 10.590 -6.140 47 HB3 LYS 6 2HB LYS 6 18.480 11.403 -5.158 48 HG2 LYS 6 1HG LYS 6 19.004 8.770 -6.501 49 HG3 LYS 6 2HG LYS 6 19.280 10.320 -7.300 50 HD2 LYS 6 1HD LYS 6 20.444 9.867 -4.593 51 HD3 LYS 6 2HD LYS 6 21.212 9.106 -5.988 52 HE2 LYS 6 1HE LYS 6 20.523 12.006 -6.106 53 HE3 LYS 6 2HE LYS 6 21.938 11.498 -5.185 54 HZ1 LYS 6 3HZ LYS 6 21.698 10.373 -7.850 55 HZ2 LYS 6 1HZ LYS 6 23.062 10.964 -7.040 56 HZ3 LYS 6 2HZ LYS 6 21.991 12.038 -7.788 57 H GLU 7 H GLU 7 17.962 9.768 -1.785 58 HA GLU 7 HA GLU 7 15.550 11.395 -1.438 59 HB2 GLU 7 1HB GLU 7 15.539 10.716 0.838 60 HB3 GLU 7 2HB GLU 7 15.894 9.277 -0.107 61 HG2 GLU 7 1HG GLU 7 18.350 9.790 0.364 62 HG3 GLU 7 2HG GLU 7 17.749 10.902 1.593 63 H GLU 8 H GLU 8 15.635 13.152 0.185 64 HA GLU 8 HA GLU 8 18.274 14.433 0.353 65 HB2 GLU 8 1HB GLU 8 15.768 15.515 -0.844 66 HB3 GLU 8 2HB GLU 8 16.797 16.622 0.053 67 HG2 GLU 8 1HG GLU 8 17.579 14.976 -2.340 68 HG3 GLU 8 2HG GLU 8 17.335 16.721 -2.287 69 HA PRO 9 HA PRO 9 17.327 15.330 4.540 70 HB2 PRO 9 1HB PRO 9 18.415 17.795 4.874 71 HB3 PRO 9 2HB PRO 9 19.389 16.331 4.694 72 HG2 PRO 9 1HG PRO 9 18.683 18.400 2.649 73 HG3 PRO 9 2HG PRO 9 20.239 17.602 2.942 74 HD2 PRO 9 1HD PRO 9 18.572 16.853 0.944 75 HD3 PRO 9 2HD PRO 9 19.625 15.701 1.792 76 H GLY 10 H GLY 10 16.526 17.291 5.980 77 HA2 GLY 10 1HA GLY 10 14.910 18.882 6.434 78 HA3 GLY 10 2HA GLY 10 14.688 19.095 4.704 79 H ILE 11 H ILE 11 13.392 17.810 7.547 80 HA ILE 11 HA ILE 11 11.545 16.055 6.099 81 HB ILE 11 HB ILE 11 11.811 16.403 9.085 82 HG12 ILE 11 1HG1 ILE 11 12.832 13.956 8.621 83 HG13 ILE 11 2HG1 ILE 11 13.322 14.756 7.132 84 HG21 ILE 11 1HG2 ILE 11 10.764 14.006 8.865 85 HG22 ILE 11 2HG2 ILE 11 9.748 15.445 8.804 86 HG23 ILE 11 3HG2 ILE 11 10.208 14.628 7.311 87 HD11 ILE 11 3HD1 ILE 11 15.127 15.291 8.349 88 HD12 ILE 11 1HD1 ILE 11 14.094 16.598 8.927 89 HD13 ILE 11 2HD1 ILE 11 14.276 15.128 9.885 90 H ALA 12 H ALA 12 9.704 16.917 5.427 91 HA ALA 12 HA ALA 12 8.557 19.172 6.928 92 HB1 ALA 12 1HB ALA 12 9.174 19.306 4.408 93 HB2 ALA 12 2HB ALA 12 7.668 18.417 4.177 94 HB3 ALA 12 3HB ALA 12 7.649 19.992 4.969 95 H LYS 13 H LYS 13 6.990 18.605 8.278 96 HA LYS 13 HA LYS 13 4.932 16.737 7.348 97 HB2 LYS 13 1HB LYS 13 4.946 15.461 9.348 98 HB3 LYS 13 2HB LYS 13 6.621 15.562 8.823 99 HG2 LYS 13 1HG LYS 13 7.058 17.298 10.458 100 HG3 LYS 13 2HG LYS 13 5.365 17.277 10.956 101 HD2 LYS 13 1HD LYS 13 6.400 15.956 12.564 102 HD3 LYS 13 2HD LYS 13 5.772 14.767 11.420 103 HE2 LYS 13 1HE LYS 13 8.510 15.794 10.943 104 HE3 LYS 13 2HE LYS 13 8.285 14.725 12.326 105 HZ1 LYS 13 3HZ LYS 13 6.930 13.541 10.243 106 HZ2 LYS 13 1HZ LYS 13 8.408 13.048 10.903 107 HZ3 LYS 13 2HZ LYS 13 8.382 14.081 9.564 108 H LYS 14 H LYS 14 2.873 17.134 8.119 109 HA LYS 14 HA LYS 14 2.530 19.738 9.420 110 HB2 LYS 14 1HB LYS 14 0.671 18.013 7.788 111 HB3 LYS 14 2HB LYS 14 0.120 19.433 8.667 112 HG2 LYS 14 1HG LYS 14 1.269 20.893 7.289 113 HG3 LYS 14 2HG LYS 14 2.387 19.647 6.732 114 HD2 LYS 14 1HD LYS 14 0.928 20.061 4.921 115 HD3 LYS 14 2HD LYS 14 0.388 18.539 5.635 116 HE2 LYS 14 1HE LYS 14 -1.394 19.684 6.806 117 HE3 LYS 14 2HE LYS 14 -0.816 21.243 6.219 118 HZ1 LYS 14 3HZ LYS 14 -2.760 20.147 5.009 119 HZ2 LYS 14 1HZ LYS 14 -1.605 19.107 4.339 120 HZ3 LYS 14 2HZ LYS 14 -1.503 20.773 4.066 121 H ILE 15 H ILE 15 2.300 19.680 11.553 122 HA ILE 15 HA ILE 15 1.016 17.351 12.794 123 HB ILE 15 HB ILE 15 1.937 18.206 14.920 124 HG12 ILE 15 1HG1 ILE 15 3.573 20.166 13.337 125 HG13 ILE 15 2HG1 ILE 15 1.991 20.626 13.956 126 HG21 ILE 15 1HG2 ILE 15 3.651 16.876 14.461 127 HG22 ILE 15 2HG2 ILE 15 3.353 17.085 12.736 128 HG23 ILE 15 3HG2 ILE 15 4.442 18.185 13.582 129 HD11 ILE 15 3HD1 ILE 15 3.790 19.381 15.913 130 HD12 ILE 15 1HD1 ILE 15 4.301 20.952 15.297 131 HD13 ILE 15 2HD1 ILE 15 2.724 20.777 16.069 132 H ASN 16 H ASN 16 -0.149 18.029 14.948 133 HA ASN 16 HA ASN 16 -1.759 20.440 14.541 134 HB2 ASN 16 1HB ASN 16 -2.777 17.620 14.684 135 HB3 ASN 16 2HB ASN 16 -3.774 18.948 15.271 136 HD21 ASN 16 2HD2 ASN 16 -3.878 20.838 13.678 137 HD22 ASN 16 1HD2 ASN 16 -4.162 20.410 12.028 138 H SER 17 H SER 17 0.337 19.237 16.453 139 HA SER 17 HA SER 17 -1.031 20.107 18.892 140 HG SER 17 HG SER 17 -1.036 17.165 17.646 141 HB2 SER 17 1HB SER 17 0.765 17.686 18.927 142 HB3 SER 17 2HB SER 17 -0.345 18.245 20.179 143 H VAL 18 H VAL 18 0.124 21.587 19.930 144 HA VAL 18 HA VAL 18 2.692 22.386 19.039 145 HB VAL 18 HB VAL 18 2.666 23.996 20.838 146 HG11 VAL 18 1HG1 VAL 18 1.312 24.609 18.980 147 HG12 VAL 18 2HG1 VAL 18 -0.017 23.588 19.533 148 HG13 VAL 18 3HG1 VAL 18 0.418 25.038 20.438 149 HG21 VAL 18 3HG2 VAL 18 0.267 23.639 22.184 150 HG22 VAL 18 1HG2 VAL 18 0.965 22.021 22.099 151 HG23 VAL 18 2HG2 VAL 18 1.884 23.341 22.821 152 H ASP 19 H ASP 19 1.692 19.947 21.166 153 HA ASP 19 HA ASP 19 3.791 19.933 23.040 154 HB2 ASP 19 1HB ASP 19 1.671 18.620 23.232 155 HB3 ASP 19 2HB ASP 19 2.278 17.537 21.983 156 H ASP 20 H ASP 20 3.484 18.517 19.826 157 HA ASP 20 HA ASP 20 6.053 17.206 19.990 158 HB2 ASP 20 1HB ASP 20 3.909 17.436 17.913 159 HB3 ASP 20 2HB ASP 20 5.522 16.918 17.430 160 H ILE 21 H ILE 21 6.696 19.660 20.580 161 HA ILE 21 HA ILE 21 7.866 20.757 18.109 162 HB ILE 21 HB ILE 21 6.816 22.323 20.467 163 HG12 ILE 21 1HG1 ILE 21 5.963 22.293 17.564 164 HG13 ILE 21 2HG1 ILE 21 5.093 21.519 18.884 165 HG21 ILE 21 1HG2 ILE 21 8.861 23.329 19.676 166 HG22 ILE 21 2HG2 ILE 21 8.290 23.256 18.010 167 HG23 ILE 21 3HG2 ILE 21 7.490 24.316 19.170 168 HD11 ILE 21 3HD1 ILE 21 4.067 23.626 18.286 169 HD12 ILE 21 1HD1 ILE 21 4.733 23.704 19.917 170 HD13 ILE 21 2HD1 ILE 21 5.587 24.471 18.577 171 H ILE 22 H ILE 22 9.995 21.284 18.167 172 HA ILE 22 HA ILE 22 11.388 21.001 20.747 173 HB ILE 22 HB ILE 22 13.339 20.105 19.403 174 HG12 ILE 22 1HG1 ILE 22 11.281 19.351 17.346 175 HG13 ILE 22 2HG1 ILE 22 12.171 20.864 17.208 176 HG21 ILE 22 1HG2 ILE 22 11.116 18.828 20.523 177 HG22 ILE 22 2HG2 ILE 22 11.438 17.985 19.009 178 HG23 ILE 22 3HG2 ILE 22 12.710 18.137 20.220 179 HD11 ILE 22 3HD1 ILE 22 14.208 19.159 17.600 180 HD12 ILE 22 1HD1 ILE 22 13.061 18.095 16.785 181 HD13 ILE 22 2HD1 ILE 22 13.579 19.593 16.010 182 H ILE 23 H ILE 23 13.835 21.770 20.283 183 HA ILE 23 HA ILE 23 13.619 24.576 19.800 184 HB ILE 23 HB ILE 23 16.045 22.842 20.274 185 HG12 ILE 23 1HG1 ILE 23 15.891 24.258 22.489 186 HG13 ILE 23 2HG1 ILE 23 14.202 24.426 22.024 187 HG21 ILE 23 1HG2 ILE 23 17.097 24.619 19.345 188 HG22 ILE 23 2HG2 ILE 23 15.759 25.721 19.669 189 HG23 ILE 23 3HG2 ILE 23 16.878 25.288 20.962 190 HD11 ILE 23 3HD1 ILE 23 13.764 22.189 22.316 191 HD12 ILE 23 1HD1 ILE 23 15.451 21.721 22.107 192 HD13 ILE 23 2HD1 ILE 23 14.931 22.504 23.599 193 H LYS 24 H LYS 24 14.527 21.831 17.896 194 HA LYS 24 HA LYS 24 15.716 23.504 15.818 195 HB2 LYS 24 1HB LYS 24 15.359 20.504 15.846 196 HB3 LYS 24 2HB LYS 24 16.367 21.437 14.748 197 HG2 LYS 24 1HG LYS 24 16.793 21.256 17.722 198 HG3 LYS 24 2HG LYS 24 17.641 20.281 16.519 199 HD2 LYS 24 1HD LYS 24 17.654 23.248 16.230 200 HD3 LYS 24 2HD LYS 24 18.689 22.511 17.455 201 HE2 LYS 24 1HE LYS 24 20.084 22.583 15.612 202 HE3 LYS 24 2HE LYS 24 19.431 20.948 15.522 203 HZ1 LYS 24 3HZ LYS 24 17.929 23.004 14.120 204 HZ2 LYS 24 1HZ LYS 24 18.280 21.414 13.660 205 HZ3 LYS 24 2HZ LYS 24 19.444 22.626 13.470 206 H CYS 25 H CYS 25 12.696 22.833 16.698 207 HA CYS 25 HA CYS 25 11.610 22.127 14.101 208 HG CYS 25 HG CYS 25 7.937 21.468 15.376 209 HB2 CYS 25 1HB CYS 25 10.448 21.132 15.903 210 HB3 CYS 25 2HB CYS 25 10.389 22.642 16.805 211 H GLN 26 H GLN 26 10.555 23.472 12.719 212 HA GLN 26 HA GLN 26 10.444 26.321 13.461 213 HB2 GLN 26 1HB GLN 26 10.895 25.332 10.653 214 HB3 GLN 26 2HB GLN 26 11.125 26.957 11.284 215 HG2 GLN 26 1HG GLN 26 12.983 26.076 12.686 216 HG3 GLN 26 2HG GLN 26 12.803 24.529 11.860 217 HE21 GLN 26 2HE2 GLN 26 12.838 27.924 10.822 218 HE22 GLN 26 1HE2 GLN 26 14.053 27.719 9.611 219 H CYS 27 H CYS 27 8.524 27.281 13.260 220 HA CYS 27 HA CYS 27 6.493 26.028 11.543 221 HG CYS 27 HG CYS 27 5.377 28.776 14.350 222 HB2 CYS 27 1HB CYS 27 4.797 26.299 13.212 223 HB3 CYS 27 2HB CYS 27 6.148 25.463 13.968 224 H TRP 28 H TRP 28 4.433 27.745 11.851 225 HA TRP 28 HA TRP 28 5.565 30.333 11.009 226 HD1 TRP 28 HD1 TRP 28 5.091 27.121 8.979 227 HE1 TRP 28 HE1 TRP 28 6.492 27.325 6.830 228 HE3 TRP 28 HE3 TRP 28 4.508 32.124 8.102 229 HZ2 TRP 28 HZ2 TRP 28 7.251 29.340 5.005 230 HZ3 TRP 28 HZ3 TRP 28 5.605 33.111 6.133 231 HH2 TRP 28 HH2 TRP 28 6.948 31.746 4.618 232 HB2 TRP 28 1HB TRP 28 3.162 28.827 9.979 233 HB3 TRP 28 2HB TRP 28 3.417 30.539 9.650 234 H VAL 29 H VAL 29 4.806 32.153 11.942 235 HA VAL 29 HA VAL 29 2.638 31.843 13.916 236 HB VAL 29 HB VAL 29 4.911 33.833 13.984 237 HG11 VAL 29 1HG1 VAL 29 3.517 34.948 15.327 238 HG12 VAL 29 2HG1 VAL 29 2.409 33.581 15.459 239 HG13 VAL 29 3HG1 VAL 29 3.829 33.670 16.502 240 HG21 VAL 29 3HG2 VAL 29 4.473 31.353 15.647 241 HG22 VAL 29 1HG2 VAL 29 5.682 31.541 14.376 242 HG23 VAL 29 2HG2 VAL 29 5.784 32.517 15.842 243 H GLN 30 H GLN 30 1.027 33.375 14.015 244 HA GLN 30 HA GLN 30 0.650 34.945 11.612 245 HB2 GLN 30 1HB GLN 30 -1.166 33.571 12.718 246 HB3 GLN 30 2HB GLN 30 -1.185 34.774 14.001 247 HG2 GLN 30 1HG GLN 30 -2.908 35.464 12.640 248 HG3 GLN 30 2HG GLN 30 -1.566 36.467 12.092 249 HE21 GLN 30 2HE2 GLN 30 -3.332 36.472 10.303 250 HE22 GLN 30 1HE2 GLN 30 -3.066 35.346 9.020 251 H LYS 31 H LYS 31 1.364 36.953 11.441 252 HA LYS 31 HA LYS 31 1.132 38.760 13.725 253 HB2 LYS 31 1HB LYS 31 3.687 38.314 12.171 254 HB3 LYS 31 2HB LYS 31 3.426 39.643 13.293 255 HG2 LYS 31 1HG LYS 31 3.233 36.747 14.080 256 HG3 LYS 31 2HG LYS 31 4.711 37.704 14.211 257 HD2 LYS 31 1HD LYS 31 2.149 38.645 15.452 258 HD3 LYS 31 2HD LYS 31 3.186 37.483 16.283 259 HE2 LYS 31 1HE LYS 31 5.020 39.317 15.589 260 HE3 LYS 31 2HE LYS 31 3.604 40.357 15.730 261 HZ1 LYS 31 3HZ LYS 31 3.542 40.110 17.945 262 HZ2 LYS 31 1HZ LYS 31 5.167 39.666 17.783 263 HZ3 LYS 31 2HZ LYS 31 3.972 38.475 17.900 264 H ASN 32 H ASN 32 0.568 40.800 13.173 265 HA ASN 32 HA ASN 32 -0.259 42.488 11.887 266 HB2 ASN 32 1HB ASN 32 2.306 42.422 11.358 267 HB3 ASN 32 2HB ASN 32 1.776 41.844 9.781 268 HD21 ASN 32 2HD2 ASN 32 3.158 44.205 10.084 269 HD22 ASN 32 1HD2 ASN 32 2.116 45.529 9.700 270 H ASP 33 H ASP 33 -1.797 40.324 11.618 271 HA ASP 33 HA ASP 33 -3.294 39.234 10.290 272 HB2 ASP 33 1HB ASP 33 -2.886 41.642 8.503 273 HB3 ASP 33 2HB ASP 33 -4.268 40.550 8.478 274 H GLU 34 H GLU 34 -0.412 38.731 9.854 275 HA GLU 34 HA GLU 34 -0.676 37.443 7.238 276 HB2 GLU 34 1HB GLU 34 1.533 39.295 8.088 277 HB3 GLU 34 2HB GLU 34 1.816 38.042 6.889 278 HG2 GLU 34 1HG GLU 34 0.273 38.995 5.382 279 HG3 GLU 34 2HG GLU 34 -0.380 40.070 6.618 280 H GLU 35 H GLU 35 1.483 36.040 6.943 281 HA GLU 35 HA GLU 35 1.953 34.643 9.493 282 HB2 GLU 35 1HB GLU 35 2.062 32.526 8.155 283 HB3 GLU 35 2HB GLU 35 0.466 33.260 8.230 284 HG2 GLU 35 1HG GLU 35 1.818 34.288 5.953 285 HG3 GLU 35 2HG GLU 35 1.967 32.532 5.950 286 H ARG 36 H ARG 36 4.022 34.453 10.038 287 HA ARG 36 HA ARG 36 6.055 34.668 7.916 288 HE ARG 36 HE ARG 36 6.793 37.445 7.124 289 HB2 ARG 36 1HB ARG 36 6.428 35.656 10.740 290 HB3 ARG 36 2HB ARG 36 7.452 35.962 9.344 291 HG2 ARG 36 1HG ARG 36 5.000 36.951 8.565 292 HG3 ARG 36 2HG ARG 36 5.099 37.378 10.274 293 HD2 ARG 36 1HD ARG 36 6.119 39.191 9.282 294 HD3 ARG 36 2HD ARG 36 7.503 38.164 9.655 295 HH11 ARG 36 1HH1 ARG 36 7.615 40.448 8.682 296 HH12 ARG 36 2HH1 ARG 36 8.291 41.155 7.251 297 HH21 ARG 36 1HH2 ARG 36 7.679 38.365 5.235 298 HH22 ARG 36 2HH2 ARG 36 8.325 39.970 5.291 299 H LEU 37 H LEU 37 7.903 33.398 8.119 300 HA LEU 37 HA LEU 37 7.537 30.927 9.504 301 HG LEU 37 HG LEU 37 9.940 29.664 9.506 302 HB2 LEU 37 1HB LEU 37 8.664 31.166 7.298 303 HB3 LEU 37 2HB LEU 37 10.008 31.957 8.119 304 HD11 LEU 37 1HD1 LEU 37 8.824 29.020 6.788 305 HD12 LEU 37 2HD1 LEU 37 8.143 28.620 8.365 306 HD13 LEU 37 3HD1 LEU 37 9.622 27.831 7.818 307 HD21 LEU 37 3HD2 LEU 37 11.933 29.247 8.518 308 HD22 LEU 37 1HD2 LEU 37 11.682 30.867 7.868 309 HD23 LEU 37 2HD2 LEU 37 11.295 29.453 6.887 310 H ALA 38 H ALA 38 7.793 30.786 11.633 311 HA ALA 38 HA ALA 38 9.992 32.283 12.894 312 HB1 ALA 38 1HB ALA 38 8.730 32.584 14.763 313 HB2 ALA 38 2HB ALA 38 7.435 32.483 13.569 314 HB3 ALA 38 3HB ALA 38 7.846 31.073 14.546 315 H GLU 39 H GLU 39 11.596 31.219 13.899 316 HA GLU 39 HA GLU 39 11.487 28.291 13.882 317 HB2 GLU 39 1HB GLU 39 13.390 29.150 12.720 318 HB3 GLU 39 2HB GLU 39 13.784 30.239 14.043 319 HG2 GLU 39 1HG GLU 39 14.533 28.479 15.409 320 HG3 GLU 39 2HG GLU 39 13.810 27.257 14.365 321 H ILE 40 H ILE 40 11.445 27.122 15.701 322 HA ILE 40 HA ILE 40 10.957 28.360 18.199 323 HB ILE 40 HB ILE 40 11.679 25.479 17.652 324 HG12 ILE 40 1HG1 ILE 40 9.691 26.289 16.393 325 HG13 ILE 40 2HG1 ILE 40 9.295 25.052 17.580 326 HG21 ILE 40 1HG2 ILE 40 10.928 26.964 20.076 327 HG22 ILE 40 2HG2 ILE 40 10.067 25.446 19.821 328 HG23 ILE 40 3HG2 ILE 40 11.829 25.458 19.897 329 HD11 ILE 40 3HD1 ILE 40 7.949 26.418 18.710 330 HD12 ILE 40 1HD1 ILE 40 9.083 27.766 18.618 331 HD13 ILE 40 2HD1 ILE 40 8.000 27.431 17.267 332 H LEU 41 H LEU 41 12.226 28.605 19.998 333 HA LEU 41 HA LEU 41 15.101 28.062 19.643 334 HG LEU 41 HG LEU 41 14.329 30.727 18.556 335 HB2 LEU 41 1HB LEU 41 13.674 30.390 20.881 336 HB3 LEU 41 2HB LEU 41 15.341 30.010 21.307 337 HD11 LEU 41 1HD1 LEU 41 14.347 32.679 19.901 338 HD12 LEU 41 2HD1 LEU 41 15.816 32.721 18.926 339 HD13 LEU 41 3HD1 LEU 41 15.897 32.250 20.624 340 HD21 LEU 41 3HD2 LEU 41 17.049 29.948 19.577 341 HD22 LEU 41 1HD2 LEU 41 16.813 30.849 18.079 342 HD23 LEU 41 2HD2 LEU 41 16.130 29.232 18.252 343 H SER 42 H SER 42 12.349 27.986 21.792 344 HA SER 42 HA SER 42 13.479 25.912 23.368 345 HG SER 42 HG SER 42 15.096 26.296 24.751 346 HB2 SER 42 1HB SER 42 14.281 28.453 24.163 347 HB3 SER 42 2HB SER 42 12.946 28.072 25.251 348 H ILE 43 H ILE 43 12.017 25.231 25.126 349 HA ILE 43 HA ILE 43 9.248 26.121 24.648 350 HB ILE 43 HB ILE 43 10.183 23.308 25.227 351 HG12 ILE 43 1HG1 ILE 43 8.612 23.578 22.849 352 HG13 ILE 43 2HG1 ILE 43 9.930 24.744 22.790 353 HG21 ILE 43 1HG2 ILE 43 7.672 22.895 24.653 354 HG22 ILE 43 2HG2 ILE 43 8.137 23.387 26.281 355 HG23 ILE 43 3HG2 ILE 43 7.482 24.575 25.154 356 HD11 ILE 43 3HD1 ILE 43 10.850 22.890 21.787 357 HD12 ILE 43 1HD1 ILE 43 11.407 22.725 23.452 358 HD13 ILE 43 2HD1 ILE 43 10.041 21.766 22.879 359 H ASN 44 H ASN 44 8.040 26.595 26.394 360 HA ASN 44 HA ASN 44 9.132 25.923 29.045 361 HB2 ASN 44 1HB ASN 44 9.540 28.284 28.615 362 HB3 ASN 44 2HB ASN 44 7.847 28.526 28.191 363 HD21 ASN 44 2HD2 ASN 44 6.628 29.337 29.724 364 HD22 ASN 44 1HD2 ASN 44 6.912 29.221 31.424 365 H THR 45 H THR 45 7.787 24.336 29.683 366 HA THR 45 HA THR 45 4.900 24.680 29.314 367 HB THR 45 HB THR 45 4.728 22.306 30.017 368 HG1 THR 45 HG1 THR 45 6.411 21.386 30.897 369 HG21 THR 45 3HG2 THR 45 6.769 22.210 27.879 370 HG22 THR 45 1HG2 THR 45 5.384 23.262 27.591 371 HG23 THR 45 2HG2 THR 45 5.135 21.547 27.917 372 H ARG 46 H ARG 46 5.291 26.446 31.045 373 HA ARG 46 HA ARG 46 4.957 25.223 33.706 374 HE ARG 46 HE ARG 46 8.013 27.837 35.998 375 HB2 ARG 46 1HB ARG 46 6.368 27.725 32.848 376 HB3 ARG 46 2HB ARG 46 5.698 27.610 34.470 377 HG2 ARG 46 1HG ARG 46 7.425 25.392 33.514 378 HG3 ARG 46 2HG ARG 46 8.188 26.926 33.937 379 HD2 ARG 46 1HD ARG 46 6.215 25.689 35.807 380 HD3 ARG 46 2HD ARG 46 7.864 25.066 35.745 381 HH11 ARG 46 1HH1 ARG 46 6.909 25.092 37.833 382 HH12 ARG 46 2HH1 ARG 46 7.213 25.832 39.370 383 HH21 ARG 46 1HH2 ARG 46 8.417 28.822 38.015 384 HH22 ARG 46 2HH2 ARG 46 8.070 27.954 39.472 385 H LYS 47 H LYS 47 3.149 26.299 31.366 386 HA LYS 47 HA LYS 47 1.200 27.517 33.178 387 HB2 LYS 47 1HB LYS 47 2.587 29.159 31.597 388 HB3 LYS 47 2HB LYS 47 1.372 28.651 30.431 389 HG2 LYS 47 1HG LYS 47 -0.346 29.657 31.575 390 HG3 LYS 47 2HG LYS 47 0.502 29.592 33.121 391 HD2 LYS 47 1HD LYS 47 0.667 31.832 32.621 392 HD3 LYS 47 2HD LYS 47 2.172 31.221 31.929 393 HE2 LYS 47 1HE LYS 47 1.387 31.388 29.754 394 HE3 LYS 47 2HE LYS 47 -0.303 31.362 30.255 395 HZ1 LYS 47 3HZ LYS 47 0.626 33.567 29.486 396 HZ2 LYS 47 1HZ LYS 47 1.499 33.608 30.934 397 HZ3 LYS 47 2HZ LYS 47 -0.191 33.575 30.966 398 H ALA 48 H ALA 48 -0.968 27.789 31.869 399 HA ALA 48 HA ALA 48 -1.354 25.537 30.036 400 HB1 ALA 48 1HB ALA 48 -3.542 25.100 31.372 401 HB2 ALA 48 2HB ALA 48 -2.014 24.436 31.954 402 HB3 ALA 48 3HB ALA 48 -2.680 25.895 32.689 403 HA PRO 49 HA PRO 49 -1.721 25.354 28.199 404 HB2 PRO 49 1HB PRO 49 -1.151 26.652 25.884 405 HB3 PRO 49 2HB PRO 49 -2.685 25.821 26.167 406 HG2 PRO 49 1HG PRO 49 -2.042 28.737 26.385 407 HG3 PRO 49 2HG PRO 49 -3.465 27.955 25.671 408 HD2 PRO 49 1HD PRO 49 -3.492 29.050 28.148 409 HD3 PRO 49 2HD PRO 49 -4.470 27.631 27.720 410 HA PRO 50 HA PRO 50 2.396 26.654 29.034 411 HB2 PRO 50 1HB PRO 50 3.820 25.287 27.171 412 HB3 PRO 50 2HB PRO 50 3.065 24.507 28.565 413 HG2 PRO 50 1HG PRO 50 2.096 24.682 25.739 414 HG3 PRO 50 2HG PRO 50 2.083 23.294 26.842 415 HD2 PRO 50 1HD PRO 50 -0.115 24.804 26.376 416 HD3 PRO 50 2HD PRO 50 0.193 24.024 27.940 417 H LYS 51 H LYS 51 4.501 27.353 27.775 418 HA LYS 51 HA LYS 51 3.720 29.195 25.613 419 HB2 LYS 51 1HB LYS 51 5.308 29.711 28.098 420 HB3 LYS 51 2HB LYS 51 5.666 30.630 26.641 421 HG2 LYS 51 1HG LYS 51 3.293 31.336 26.561 422 HG3 LYS 51 2HG LYS 51 3.034 30.509 28.099 423 HD2 LYS 51 1HD LYS 51 4.503 31.979 29.239 424 HD3 LYS 51 2HD LYS 51 5.124 32.645 27.727 425 HE2 LYS 51 1HE LYS 51 3.156 33.840 27.314 426 HE3 LYS 51 2HE LYS 51 2.225 32.879 28.462 427 HZ1 LYS 51 3HZ LYS 51 3.249 33.943 30.270 428 HZ2 LYS 51 1HZ LYS 51 2.862 35.188 29.192 429 HZ3 LYS 51 2HZ LYS 51 4.456 34.633 29.307 430 H PHE 52 H PHE 52 5.465 29.819 24.170 431 HA PHE 52 HA PHE 52 7.788 28.037 24.179 432 HD1 PHE 52 HD1 PHE 52 4.057 27.658 23.185 433 HD2 PHE 52 HD2 PHE 52 7.501 25.262 22.467 434 HE1 PHE 52 HE1 PHE 52 2.791 25.650 23.831 435 HE2 PHE 52 HE2 PHE 52 6.240 23.250 23.111 436 HZ PHE 52 HZ PHE 52 3.881 23.442 23.793 437 HB2 PHE 52 1HB PHE 52 5.992 28.437 21.777 438 HB3 PHE 52 2HB PHE 52 7.487 27.508 21.804 439 H TYR 53 H TYR 53 9.592 28.822 23.039 440 HA TYR 53 HA TYR 53 9.525 31.722 22.617 441 HD1 TYR 53 HD1 TYR 53 10.280 33.151 23.915 442 HD2 TYR 53 HD2 TYR 53 13.935 31.452 22.553 443 HE1 TYR 53 HE1 TYR 53 11.347 35.364 24.037 444 HE2 TYR 53 HE2 TYR 53 15.012 33.659 22.672 445 HH TYR 53 HH TYR 53 13.274 36.488 23.906 446 HB2 TYR 53 1HB TYR 53 11.213 30.441 24.162 447 HB3 TYR 53 2HB TYR 53 12.053 30.114 22.650 448 H VAL 54 H VAL 54 9.375 32.450 20.612 449 HA VAL 54 HA VAL 54 10.456 30.798 18.423 450 HB VAL 54 HB VAL 54 8.826 32.042 16.956 451 HG11 VAL 54 1HG1 VAL 54 8.498 29.721 17.863 452 HG12 VAL 54 2HG1 VAL 54 7.496 30.435 19.128 453 HG13 VAL 54 3HG1 VAL 54 7.017 30.577 17.436 454 HG21 VAL 54 3HG2 VAL 54 7.749 32.906 19.636 455 HG22 VAL 54 1HG2 VAL 54 8.349 33.942 18.340 456 HG23 VAL 54 2HG2 VAL 54 6.857 33.028 18.120 457 H HIS 55 H HIS 55 11.395 31.913 16.620 458 HA HIS 55 HA HIS 55 12.178 34.695 17.114 459 HD1 HIS 55 HD1 HIS 55 14.041 36.092 16.084 460 HD2 HIS 55 HD2 HIS 55 16.339 32.708 15.359 461 HE1 HIS 55 HE1 HIS 55 15.913 36.858 14.590 462 HB2 HIS 55 1HB HIS 55 14.103 33.639 17.918 463 HB3 HIS 55 2HB HIS 55 14.013 32.350 16.721 464 H TYR 56 H TYR 56 11.712 35.877 15.391 465 HA TYR 56 HA TYR 56 10.926 34.730 12.918 466 HD1 TYR 56 HD2 TYR 56 10.551 37.525 15.784 467 HD2 TYR 56 HD1 TYR 56 8.397 36.449 12.275 468 HE1 TYR 56 HE2 TYR 56 8.439 37.719 17.028 469 HE2 TYR 56 HE1 TYR 56 6.279 36.641 13.510 470 HH TYR 56 HH TYR 56 6.181 37.014 16.944 471 HB2 TYR 56 1HB TYR 56 11.597 37.611 13.553 472 HB3 TYR 56 2HB TYR 56 10.717 37.044 12.138 473 H VAL 57 H VAL 57 12.350 33.754 11.630 474 HA VAL 57 HA VAL 57 15.107 34.256 11.539 475 HB VAL 57 HB VAL 57 13.414 33.047 9.348 476 HG11 VAL 57 1HG1 VAL 57 15.544 33.504 8.457 477 HG12 VAL 57 2HG1 VAL 57 16.361 33.003 9.939 478 HG13 VAL 57 3HG1 VAL 57 15.585 31.800 8.909 479 HG21 VAL 57 3HG2 VAL 57 14.454 30.917 10.558 480 HG22 VAL 57 1HG2 VAL 57 14.374 31.997 11.950 481 HG23 VAL 57 2HG2 VAL 57 12.910 31.615 11.044 482 H ASN 58 H ASN 58 12.431 35.716 9.850 483 HA ASN 58 HA ASN 58 13.980 36.964 7.805 484 HB2 ASN 58 1HB ASN 58 11.231 37.683 8.851 485 HB3 ASN 58 2HB ASN 58 11.944 38.261 7.348 486 HD21 ASN 58 2HD2 ASN 58 13.030 36.080 6.248 487 HD22 ASN 58 1HD2 ASN 58 11.824 34.888 5.919 488 H TYR 59 H TYR 59 13.248 37.706 11.095 489 HA TYR 59 HA TYR 59 14.368 40.409 10.761 490 HD1 TYR 59 HD1 TYR 59 13.037 42.164 10.550 491 HD2 TYR 59 HD2 TYR 59 10.304 39.457 12.367 492 HE1 TYR 59 HE1 TYR 59 11.193 43.186 9.283 493 HE2 TYR 59 HE2 TYR 59 8.452 40.470 11.105 494 HH TYR 59 HH TYR 59 9.013 43.184 8.880 495 HB2 TYR 59 1HB TYR 59 12.538 39.280 12.882 496 HB3 TYR 59 2HB TYR 59 13.316 40.854 13.013 497 H ASN 60 H ASN 60 15.247 41.063 13.166 498 HA ASN 60 HA ASN 60 17.590 39.414 13.479 499 HB2 ASN 60 1HB ASN 60 16.675 42.041 14.596 500 HB3 ASN 60 2HB ASN 60 18.018 41.192 15.356 501 HD21 ASN 60 2HD2 ASN 60 17.091 41.469 11.954 502 HD22 ASN 60 1HD2 ASN 60 18.570 42.193 11.430 503 H LYS 61 H LYS 61 18.349 39.047 15.840 504 HA LYS 61 HA LYS 61 16.542 37.216 17.031 505 HB2 LYS 61 1HB LYS 61 18.252 36.828 18.661 506 HB3 LYS 61 2HB LYS 61 19.042 37.048 17.105 507 HG2 LYS 61 1HG LYS 61 20.368 38.487 18.160 508 HG3 LYS 61 2HG LYS 61 18.995 39.596 18.127 509 HD2 LYS 61 1HD LYS 61 18.338 38.248 20.316 510 HD3 LYS 61 2HD LYS 61 20.080 37.969 20.367 511 HE2 LYS 61 1HE LYS 61 20.380 40.451 20.125 512 HE3 LYS 61 2HE LYS 61 18.638 40.615 20.343 513 HZ1 LYS 61 3HZ LYS 61 19.138 40.740 22.500 514 HZ2 LYS 61 1HZ LYS 61 20.691 40.102 22.293 515 HZ3 LYS 61 2HZ LYS 61 19.363 39.065 22.433 516 H ARG 62 H ARG 62 16.790 40.563 17.242 517 HA ARG 62 HA ARG 62 15.903 40.829 19.973 518 HE ARG 62 HE ARG 62 15.831 45.602 18.343 519 HB2 ARG 62 1HB ARG 62 15.903 43.182 19.582 520 HB3 ARG 62 2HB ARG 62 17.321 42.527 18.775 521 HG2 ARG 62 1HG ARG 62 15.736 42.450 16.697 522 HG3 ARG 62 2HG ARG 62 14.829 43.660 17.607 523 HD2 ARG 62 1HD ARG 62 17.785 43.916 17.159 524 HD3 ARG 62 2HD ARG 62 16.619 44.478 15.962 525 HH11 ARG 62 1HH1 ARG 62 18.696 45.643 16.366 526 HH12 ARG 62 2HH1 ARG 62 19.165 47.240 16.849 527 HH21 ARG 62 1HH2 ARG 62 16.437 47.705 18.987 528 HH22 ARG 62 2HH2 ARG 62 17.879 48.411 18.341 529 H LEU 63 H LEU 63 14.394 39.758 17.291 530 HA LEU 63 HA LEU 63 11.840 41.086 17.838 531 HG LEU 63 HG LEU 63 11.488 41.179 14.217 532 HB2 LEU 63 1HB LEU 63 13.077 39.831 15.514 533 HB3 LEU 63 2HB LEU 63 11.406 39.330 15.764 534 HD11 LEU 63 1HD1 LEU 63 9.725 40.982 16.112 535 HD12 LEU 63 2HD1 LEU 63 9.800 42.451 15.140 536 HD13 LEU 63 3HD1 LEU 63 10.515 42.423 16.752 537 HD21 LEU 63 3HD2 LEU 63 12.865 42.712 16.420 538 HD22 LEU 63 1HD2 LEU 63 12.347 43.365 14.866 539 HD23 LEU 63 2HD2 LEU 63 13.619 42.145 14.930 540 H ASP 64 H ASP 64 13.502 38.089 18.244 541 HA ASP 64 HA ASP 64 11.440 36.255 18.425 542 HB2 ASP 64 1HB ASP 64 12.905 34.915 19.792 543 HB3 ASP 64 2HB ASP 64 13.880 35.734 18.575 544 H GLU 65 H GLU 65 10.464 35.286 20.366 545 HA GLU 65 HA GLU 65 10.359 36.621 22.843 546 HB2 GLU 65 1HB GLU 65 7.960 37.425 22.634 547 HB3 GLU 65 2HB GLU 65 9.177 38.391 21.813 548 HG2 GLU 65 1HG GLU 65 8.603 37.219 19.702 549 HG3 GLU 65 2HG GLU 65 7.295 36.407 20.560 550 H TRP 66 H TRP 66 8.108 35.947 23.973 551 HA TRP 66 HA TRP 66 7.944 33.050 23.559 552 HD1 TRP 66 HD1 TRP 66 9.546 35.850 26.041 553 HE1 TRP 66 HE1 TRP 66 11.750 34.908 26.978 554 HE3 TRP 66 HE3 TRP 66 8.334 30.884 26.128 555 HZ2 TRP 66 HZ2 TRP 66 12.833 32.392 27.662 556 HZ3 TRP 66 HZ3 TRP 66 10.011 29.275 26.937 557 HH2 TRP 66 HH2 TRP 66 12.213 30.015 27.687 558 HB2 TRP 66 1HB TRP 66 7.061 34.731 25.915 559 HB3 TRP 66 2HB TRP 66 6.996 32.973 25.829 560 H ILE 67 H ILE 67 6.366 32.509 22.188 561 HA ILE 67 HA ILE 67 3.824 33.969 22.286 562 HB ILE 67 HB ILE 67 3.302 32.862 20.151 563 HG12 ILE 67 1HG1 ILE 67 6.135 31.833 20.135 564 HG13 ILE 67 2HG1 ILE 67 4.793 30.848 20.706 565 HG21 ILE 67 1HG2 ILE 67 5.847 34.429 20.398 566 HG22 ILE 67 2HG2 ILE 67 5.211 33.947 18.826 567 HG23 ILE 67 3HG2 ILE 67 4.251 34.979 19.886 568 HD11 ILE 67 3HD1 ILE 67 5.132 32.004 17.950 569 HD12 ILE 67 1HD1 ILE 67 5.282 30.310 18.419 570 HD13 ILE 67 2HD1 ILE 67 3.714 31.113 18.506 571 H THR 68 H THR 68 1.821 32.704 22.075 572 HA THR 68 HA THR 68 1.989 30.242 23.676 573 HB THR 68 HB THR 68 -0.625 30.792 23.791 574 HG1 THR 68 HG1 THR 68 -0.521 33.253 24.127 575 HG21 THR 68 3HG2 THR 68 -0.021 32.224 25.862 576 HG22 THR 68 1HG2 THR 68 1.648 31.850 25.436 577 HG23 THR 68 2HG2 THR 68 0.518 30.547 25.806 578 H THR 69 H THR 69 -0.032 28.781 23.242 579 HA THR 69 HA THR 69 0.267 27.593 20.756 580 HB THR 69 HB THR 69 -1.772 26.330 21.233 581 HG1 THR 69 HG1 THR 69 -3.288 27.296 22.334 582 HG21 THR 69 3HG2 THR 69 -1.127 25.389 23.398 583 HG22 THR 69 1HG2 THR 69 -0.115 26.797 23.716 584 HG23 THR 69 2HG2 THR 69 0.292 25.699 22.397 585 H ASP 70 H ASP 70 -2.199 29.899 21.842 586 HA ASP 70 HA ASP 70 -3.724 29.903 19.476 587 HB2 ASP 70 1HB ASP 70 -3.388 31.906 21.701 588 HB3 ASP 70 2HB ASP 70 -4.446 32.217 20.327 589 H ARG 71 H ARG 71 -0.636 31.150 20.142 590 HA ARG 71 HA ARG 71 -0.770 33.077 17.939 591 HE ARG 71 HE ARG 71 -0.534 36.285 21.672 592 HB2 ARG 71 1HB ARG 71 1.331 32.582 20.053 593 HB3 ARG 71 2HB ARG 71 1.520 33.733 18.736 594 HG2 ARG 71 1HG ARG 71 -0.727 34.702 19.639 595 HG3 ARG 71 2HG ARG 71 -0.266 33.855 21.117 596 HD2 ARG 71 1HD ARG 71 1.910 35.038 21.059 597 HD3 ARG 71 2HD ARG 71 1.347 35.941 19.654 598 HH11 ARG 71 1HH1 ARG 71 2.805 37.055 21.061 599 HH12 ARG 71 2HH1 ARG 71 2.791 38.483 22.042 600 HH21 ARG 71 1HH2 ARG 71 -0.566 38.163 22.966 601 HH22 ARG 71 2HH2 ARG 71 0.873 39.112 23.125 602 H ILE 72 H ILE 72 -0.582 30.000 17.873 603 HA ILE 72 HA ILE 72 1.777 29.845 16.112 604 HB ILE 72 HB ILE 72 0.450 27.620 17.664 605 HG12 ILE 72 1HG1 ILE 72 3.265 28.659 17.964 606 HG13 ILE 72 2HG1 ILE 72 1.924 29.312 18.899 607 HG21 ILE 72 1HG2 ILE 72 2.311 27.625 15.403 608 HG22 ILE 72 2HG2 ILE 72 2.818 26.627 16.765 609 HG23 ILE 72 3HG2 ILE 72 1.253 26.347 16.001 610 HD11 ILE 72 3HD1 ILE 72 1.550 26.761 19.464 611 HD12 ILE 72 1HD1 ILE 72 3.272 26.682 19.090 612 HD13 ILE 72 2HD1 ILE 72 2.694 27.760 20.361 613 H ASN 73 H ASN 73 1.542 29.080 14.066 614 HA ASN 73 HA ASN 73 -1.210 28.678 13.142 615 HB2 ASN 73 1HB ASN 73 0.464 30.398 12.123 616 HB3 ASN 73 2HB ASN 73 1.154 28.992 11.318 617 HD21 ASN 73 2HD2 ASN 73 0.317 30.728 9.628 618 HD22 ASN 73 1HD2 ASN 73 -1.222 30.337 8.945 619 H LEU 74 H LEU 74 -1.787 26.597 13.222 620 HA LEU 74 HA LEU 74 0.159 24.524 12.549 621 HG LEU 74 HG LEU 74 -0.486 24.769 15.293 622 HB2 LEU 74 1HB LEU 74 -2.534 24.518 13.862 623 HB3 LEU 74 2HB LEU 74 -1.833 23.028 13.234 624 HD11 LEU 74 1HD1 LEU 74 -1.435 23.575 16.994 625 HD12 LEU 74 2HD1 LEU 74 -1.759 22.170 15.979 626 HD13 LEU 74 3HD1 LEU 74 -2.779 23.604 15.852 627 HD21 LEU 74 3HD2 LEU 74 1.190 23.275 15.300 628 HD22 LEU 74 1HD2 LEU 74 0.596 22.863 13.691 629 HD23 LEU 74 2HD2 LEU 74 0.105 21.901 15.086 630 H ASP 75 H ASP 75 -1.124 26.355 10.566 631 HA ASP 75 HA ASP 75 -2.674 24.444 8.972 632 HB2 ASP 75 1HB ASP 75 -3.593 26.733 9.333 633 HB3 ASP 75 2HB ASP 75 -2.206 27.390 8.469 634 H LYS 76 H LYS 76 0.407 25.956 9.175 635 HA LYS 76 HA LYS 76 1.082 25.197 6.425 636 HB2 LYS 76 1HB LYS 76 2.207 27.109 8.408 637 HB3 LYS 76 2HB LYS 76 3.327 26.374 7.268 638 HG2 LYS 76 1HG LYS 76 2.770 28.142 6.001 639 HG3 LYS 76 2HG LYS 76 1.380 27.138 5.578 640 HD2 LYS 76 1HD LYS 76 -0.038 28.287 7.052 641 HD3 LYS 76 2HD LYS 76 1.315 29.011 7.926 642 HE2 LYS 76 1HE LYS 76 0.588 30.785 6.649 643 HE3 LYS 76 2HE LYS 76 1.849 30.107 5.621 644 HZ1 LYS 76 3HZ LYS 76 0.360 29.795 4.033 645 HZ2 LYS 76 1HZ LYS 76 -0.835 30.503 4.998 646 HZ3 LYS 76 2HZ LYS 76 -0.588 28.831 5.049 647 H GLU 77 H GLU 77 2.908 23.900 5.967 648 HA GLU 77 HA GLU 77 3.211 21.642 7.594 649 HB2 GLU 77 1HB GLU 77 5.083 22.655 5.446 650 HB3 GLU 77 2HB GLU 77 5.052 21.022 6.096 651 HG2 GLU 77 1HG GLU 77 3.118 20.470 5.000 652 HG3 GLU 77 2HG GLU 77 2.566 22.141 4.906 653 H VAL 78 H VAL 78 4.854 20.944 8.951 654 HA VAL 78 HA VAL 78 6.452 23.100 10.134 655 HB VAL 78 HB VAL 78 5.762 20.360 11.204 656 HG11 VAL 78 1HG1 VAL 78 7.893 20.881 12.075 657 HG12 VAL 78 2HG1 VAL 78 7.456 22.570 12.340 658 HG13 VAL 78 3HG1 VAL 78 6.740 21.306 13.339 659 HG21 VAL 78 3HG2 VAL 78 4.612 21.879 12.956 660 HG22 VAL 78 1HG2 VAL 78 4.708 23.117 11.703 661 HG23 VAL 78 2HG2 VAL 78 3.822 21.623 11.400 662 H LEU 79 H LEU 79 8.647 23.037 10.252 663 HA LEU 79 HA LEU 79 9.968 20.969 8.649 664 HG LEU 79 HG LEU 79 9.425 23.846 7.593 665 HB2 LEU 79 1HB LEU 79 10.847 23.704 9.547 666 HB3 LEU 79 2HB LEU 79 11.910 22.564 8.725 667 HD11 LEU 79 1HD1 LEU 79 12.257 24.115 6.631 668 HD12 LEU 79 2HD1 LEU 79 11.559 25.208 7.827 669 HD13 LEU 79 3HD1 LEU 79 10.853 25.098 6.215 670 HD21 LEU 79 3HD2 LEU 79 10.430 22.728 5.464 671 HD22 LEU 79 1HD2 LEU 79 9.413 21.788 6.556 672 HD23 LEU 79 2HD2 LEU 79 11.168 21.622 6.624 673 H TYR 80 H TYR 80 11.156 19.440 9.577 674 HA TYR 80 HA TYR 80 11.937 19.800 12.393 675 HD1 TYR 80 HD1 TYR 80 8.785 18.179 11.093 676 HD2 TYR 80 HD2 TYR 80 11.320 17.584 14.458 677 HE1 TYR 80 HE1 TYR 80 6.824 18.253 12.576 678 HE2 TYR 80 HE2 TYR 80 9.365 17.655 15.950 679 HH TYR 80 HH TYR 80 6.919 18.792 15.724 680 HB2 TYR 80 1HB TYR 80 11.081 17.402 10.817 681 HB3 TYR 80 2HB TYR 80 12.134 17.189 12.211 682 HA PRO 81 HA PRO 81 16.204 19.470 11.430 683 HB2 PRO 81 1HB PRO 81 17.148 17.973 13.489 684 HB3 PRO 81 2HB PRO 81 16.626 19.651 13.682 685 HG2 PRO 81 1HG PRO 81 15.143 17.124 14.295 686 HG3 PRO 81 2HG PRO 81 15.251 18.617 15.246 687 HD2 PRO 81 1HD PRO 81 13.110 18.027 13.697 688 HD3 PRO 81 2HD PRO 81 13.661 19.693 13.970 689 H LYS 82 H LYS 82 17.538 18.240 10.215 690 HA LYS 82 HA LYS 82 16.787 15.422 9.827 691 HB2 LYS 82 1HB LYS 82 18.107 15.689 7.664 692 HB3 LYS 82 2HB LYS 82 16.579 16.554 7.768 693 HG2 LYS 82 1HG LYS 82 19.045 17.989 8.584 694 HG3 LYS 82 2HG LYS 82 18.779 17.698 6.864 695 HD2 LYS 82 1HD LYS 82 17.003 19.111 6.762 696 HD3 LYS 82 2HD LYS 82 16.482 18.745 8.408 697 HE2 LYS 82 1HE LYS 82 17.219 20.915 8.634 698 HE3 LYS 82 2HE LYS 82 18.665 20.008 9.076 699 HZ1 LYS 82 3HZ LYS 82 18.690 20.382 6.307 700 HZ2 LYS 82 1HZ LYS 82 19.746 21.032 7.459 701 HZ3 LYS 82 2HZ LYS 82 18.351 21.880 7.015 702 H LEU 83 H LEU 83 18.234 13.819 10.155 703 HA LEU 83 HA LEU 83 20.856 14.601 11.217 704 HG LEU 83 HG LEU 83 20.932 13.700 13.573 705 HB2 LEU 83 1HB LEU 83 19.000 12.340 11.699 706 HB3 LEU 83 2HB LEU 83 20.726 12.011 11.832 707 HD11 LEU 83 1HD1 LEU 83 18.942 14.785 14.499 708 HD12 LEU 83 2HD1 LEU 83 17.960 14.071 13.221 709 HD13 LEU 83 3HD1 LEU 83 19.214 15.244 12.818 710 HD21 LEU 83 3HD2 LEU 83 20.425 12.130 15.058 711 HD22 LEU 83 1HD2 LEU 83 19.594 11.244 13.779 712 HD23 LEU 83 2HD2 LEU 83 18.697 12.374 14.794 713 H LYS 84 H LYS 84 22.731 13.911 10.324 714 HA LYS 84 HA LYS 84 22.594 12.791 7.661 715 HB2 LYS 84 1HB LYS 84 24.133 14.669 8.287 716 HB3 LYS 84 2HB LYS 84 25.043 13.529 9.270 717 HG2 LYS 84 1HG LYS 84 25.106 12.185 6.988 718 HG3 LYS 84 2HG LYS 84 24.898 13.807 6.323 719 HD2 LYS 84 1HD LYS 84 26.928 14.543 7.135 720 HD3 LYS 84 2HD LYS 84 26.963 13.343 8.429 721 HE2 LYS 84 1HE LYS 84 28.605 12.670 6.872 722 HE3 LYS 84 2HE LYS 84 27.231 11.595 6.622 723 HZ1 LYS 84 3HZ LYS 84 26.561 12.954 4.737 724 HZ2 LYS 84 1HZ LYS 84 28.134 12.367 4.524 725 HZ3 LYS 84 2HZ LYS 84 27.886 13.978 4.975 726 H ALA 85 H ALA 85 22.144 10.653 7.670 727 HA ALA 85 HA ALA 85 24.191 8.864 8.639 728 HB1 ALA 85 1HB ALA 85 21.644 9.191 10.063 729 HB2 ALA 85 2HB ALA 85 22.084 7.522 9.695 730 HB3 ALA 85 3HB ALA 85 23.186 8.541 10.622 731 H THR 86 H THR 86 24.137 6.837 7.654 732 HA THR 86 HA THR 86 22.323 6.669 5.349 733 HB THR 86 HB THR 86 23.975 4.961 4.498 734 HG1 THR 86 HG1 THR 86 25.141 4.345 6.238 735 HG21 THR 86 3HG2 THR 86 25.788 6.751 4.082 736 HG22 THR 86 1HG2 THR 86 24.719 7.829 4.978 737 HG23 THR 86 2HG2 THR 86 24.156 7.062 3.493 738 H ASP 87 H ASP 87 20.528 5.659 6.146 739 HA ASP 87 HA ASP 87 20.915 2.890 7.052 740 HB2 ASP 87 1HB ASP 87 19.127 3.127 8.688 741 HB3 ASP 87 2HB ASP 87 20.393 4.308 9.010 742 H GLU 88 H GLU 88 19.138 1.467 6.609 743 HA GLU 88 HA GLU 88 17.538 2.375 4.314 744 HB2 GLU 88 1HB GLU 88 17.484 0.119 3.549 745 HB3 GLU 88 2HB GLU 88 19.151 0.472 3.983 746 HG2 GLU 88 1HG GLU 88 18.667 -0.613 6.211 747 HG3 GLU 88 2HG GLU 88 17.154 -1.175 5.502 748 H ASP 89 H ASP 89 15.405 1.201 4.079 749 HA ASP 89 HA ASP 89 14.132 0.831 6.710 750 HB2 ASP 89 1HB ASP 89 12.224 2.061 6.038 751 HB3 ASP 89 2HB ASP 89 13.605 3.037 5.546 Start of MODEL 9 1 H1 GLY -2 H GLY -2 -0.549 2.669 -11.836 2 HA2 GLY -2 1HA GLY -2 1.746 3.011 -13.195 3 HA3 GLY -2 2HA GLY -2 1.295 4.077 -11.873 4 H SER -1 H SER -1 2.476 4.071 -10.036 5 HA SER -1 HA SER -1 4.243 3.694 -8.653 6 HG SER -1 HG SER -1 2.407 0.410 -8.484 7 HB2 SER -1 1HB SER -1 4.298 0.807 -9.457 8 HB3 SER -1 2HB SER -1 4.510 1.526 -7.861 9 H HIS 0 H HIS 0 5.029 4.750 -10.984 10 HA HIS 0 HA HIS 0 7.087 3.178 -12.243 11 HD1 HIS 0 HD1 HIS 0 4.434 6.517 -11.884 12 HD2 HIS 0 HD2 HIS 0 8.373 7.585 -12.662 13 HE1 HIS 0 HE1 HIS 0 4.627 8.926 -11.191 14 HB2 HIS 0 1HB HIS 0 7.509 5.149 -13.592 15 HB3 HIS 0 2HB HIS 0 5.772 4.876 -13.487 16 H MET 1 H MET 1 9.238 3.212 -11.871 17 HA MET 1 HA MET 1 10.241 4.035 -9.402 18 HB2 MET 1 1HB MET 1 11.574 3.279 -11.990 19 HB3 MET 1 2HB MET 1 12.516 3.753 -10.583 20 HG2 MET 1 1HG MET 1 11.648 1.926 -9.307 21 HG3 MET 1 2HG MET 1 10.511 1.513 -10.588 22 HE1 MET 1 3HE MET 1 15.084 1.014 -10.893 23 HE2 MET 1 1HE MET 1 14.318 2.573 -11.200 24 HE3 MET 1 2HE MET 1 14.232 1.850 -9.594 25 H SER 2 H SER 2 10.292 6.082 -8.732 26 HA SER 2 HA SER 2 10.344 8.357 -10.337 27 HG SER 2 HG SER 2 11.154 10.359 -7.685 28 HB2 SER 2 1HB SER 2 9.775 8.148 -7.836 29 HB3 SER 2 2HB SER 2 11.509 8.297 -7.557 30 H HIS 3 H HIS 3 12.111 10.060 -10.241 31 HA HIS 3 HA HIS 3 14.759 8.807 -10.544 32 HD1 HIS 3 HD1 HIS 3 16.418 8.491 -11.599 33 HD2 HIS 3 HD2 HIS 3 15.658 11.538 -14.319 34 HE1 HIS 3 HE1 HIS 3 18.539 8.753 -12.925 35 HB2 HIS 3 1HB HIS 3 13.542 9.474 -12.713 36 HB3 HIS 3 2HB HIS 3 13.851 11.137 -12.221 37 H ASP 4 H ASP 4 16.300 9.685 -9.332 38 HA ASP 4 HA ASP 4 16.048 12.492 -8.511 39 HB2 ASP 4 1HB ASP 4 16.458 10.107 -6.718 40 HB3 ASP 4 2HB ASP 4 16.972 11.722 -6.237 41 H GLY 5 H GLY 5 18.190 13.131 -7.302 42 HA2 GLY 5 1HA GLY 5 20.565 11.766 -8.169 43 HA3 GLY 5 2HA GLY 5 20.251 13.228 -9.091 44 H LYS 6 H LYS 6 19.556 15.120 -7.485 45 HA LYS 6 HA LYS 6 21.590 15.176 -5.352 46 HB2 LYS 6 1HB LYS 6 20.832 17.185 -7.421 47 HB3 LYS 6 2HB LYS 6 21.335 17.774 -5.842 48 HG2 LYS 6 1HG LYS 6 23.465 16.707 -6.050 49 HG3 LYS 6 2HG LYS 6 22.963 15.890 -7.532 50 HD2 LYS 6 1HD LYS 6 22.942 18.882 -7.334 51 HD3 LYS 6 2HD LYS 6 24.427 18.008 -7.719 52 HE2 LYS 6 1HE LYS 6 21.887 17.515 -9.237 53 HE3 LYS 6 2HE LYS 6 22.958 18.850 -9.659 54 HZ1 LYS 6 3HZ LYS 6 24.041 17.368 -10.889 55 HZ2 LYS 6 1HZ LYS 6 23.251 16.052 -10.177 56 HZ3 LYS 6 2HZ LYS 6 24.626 16.709 -9.444 57 H GLU 7 H GLU 7 19.928 14.369 -3.914 58 HA GLU 7 HA GLU 7 17.694 16.149 -3.357 59 HB2 GLU 7 1HB GLU 7 16.756 14.419 -2.122 60 HB3 GLU 7 2HB GLU 7 17.629 13.555 -3.379 61 HG2 GLU 7 1HG GLU 7 18.553 14.005 -0.551 62 HG3 GLU 7 2HG GLU 7 17.956 12.494 -1.235 63 H GLU 8 H GLU 8 17.230 16.725 -1.067 64 HA GLU 8 HA GLU 8 19.675 17.147 0.509 65 HB2 GLU 8 1HB GLU 8 17.756 19.179 -0.513 66 HB3 GLU 8 2HB GLU 8 18.394 19.409 1.109 67 HG2 GLU 8 1HG GLU 8 20.666 19.349 0.240 68 HG3 GLU 8 2HG GLU 8 20.044 19.083 -1.388 69 HA PRO 9 HA PRO 9 17.379 15.868 4.020 70 HB2 PRO 9 1HB PRO 9 18.328 17.502 5.969 71 HB3 PRO 9 2HB PRO 9 19.282 16.191 5.265 72 HG2 PRO 9 1HG PRO 9 19.345 19.120 4.652 73 HG3 PRO 9 2HG PRO 9 20.696 17.990 4.851 74 HD2 PRO 9 1HD PRO 9 19.793 18.767 2.419 75 HD3 PRO 9 2HD PRO 9 20.478 17.156 2.713 76 H GLY 10 H GLY 10 16.159 16.879 6.027 77 HA2 GLY 10 1HA GLY 10 14.815 18.745 6.793 78 HA3 GLY 10 2HA GLY 10 14.625 19.227 5.114 79 H ILE 11 H ILE 11 13.204 17.637 7.693 80 HA ILE 11 HA ILE 11 11.440 16.039 5.981 81 HB ILE 11 HB ILE 11 11.668 16.091 8.993 82 HG12 ILE 11 1HG1 ILE 11 12.455 13.629 8.334 83 HG13 ILE 11 2HG1 ILE 11 12.930 14.448 6.851 84 HG21 ILE 11 1HG2 ILE 11 10.390 13.826 8.553 85 HG22 ILE 11 2HG2 ILE 11 9.524 15.354 8.707 86 HG23 ILE 11 3HG2 ILE 11 9.850 14.682 7.109 87 HD11 ILE 11 3HD1 ILE 11 14.332 14.299 9.275 88 HD12 ILE 11 1HD1 ILE 11 14.760 15.206 7.825 89 HD13 ILE 11 2HD1 ILE 11 13.809 15.974 9.097 90 H ALA 12 H ALA 12 9.507 16.780 5.427 91 HA ALA 12 HA ALA 12 8.377 19.036 6.939 92 HB1 ALA 12 1HB ALA 12 8.887 19.349 4.503 93 HB2 ALA 12 2HB ALA 12 7.620 18.171 4.156 94 HB3 ALA 12 3HB ALA 12 7.218 19.685 4.966 95 H LYS 13 H LYS 13 6.825 18.506 8.318 96 HA LYS 13 HA LYS 13 4.794 16.562 7.488 97 HB2 LYS 13 1HB LYS 13 4.861 15.367 9.535 98 HB3 LYS 13 2HB LYS 13 6.528 15.485 8.987 99 HG2 LYS 13 1HG LYS 13 6.894 17.352 10.534 100 HG3 LYS 13 2HG LYS 13 5.230 17.192 11.102 101 HD2 LYS 13 1HD LYS 13 6.699 16.071 12.647 102 HD3 LYS 13 2HD LYS 13 5.740 14.863 11.789 103 HE2 LYS 13 1HE LYS 13 8.364 15.596 10.623 104 HE3 LYS 13 2HE LYS 13 8.381 14.653 12.112 105 HZ1 LYS 13 3HZ LYS 13 8.076 12.883 10.831 106 HZ2 LYS 13 1HZ LYS 13 7.766 13.821 9.458 107 HZ3 LYS 13 2HZ LYS 13 6.508 13.437 10.522 108 H LYS 14 H LYS 14 2.737 16.938 8.286 109 HA LYS 14 HA LYS 14 2.351 19.590 9.473 110 HB2 LYS 14 1HB LYS 14 0.594 17.763 7.860 111 HB3 LYS 14 2HB LYS 14 -0.102 19.069 8.810 112 HG2 LYS 14 1HG LYS 14 1.082 20.713 7.558 113 HG3 LYS 14 2HG LYS 14 2.038 19.478 6.736 114 HD2 LYS 14 1HD LYS 14 0.466 19.902 5.127 115 HD3 LYS 14 2HD LYS 14 -0.343 18.606 6.010 116 HE2 LYS 14 1HE LYS 14 -2.045 20.124 5.915 117 HE3 LYS 14 2HE LYS 14 -1.281 20.633 7.420 118 HZ1 LYS 14 3HZ LYS 14 -0.019 21.948 5.292 119 HZ2 LYS 14 1HZ LYS 14 -0.943 22.619 6.540 120 HZ3 LYS 14 2HZ LYS 14 -1.690 22.135 5.102 121 H ILE 15 H ILE 15 1.957 19.730 11.572 122 HA ILE 15 HA ILE 15 0.734 17.420 12.934 123 HB ILE 15 HB ILE 15 1.780 18.265 15.008 124 HG12 ILE 15 1HG1 ILE 15 3.584 20.030 13.422 125 HG13 ILE 15 2HG1 ILE 15 1.986 20.646 13.830 126 HG21 ILE 15 1HG2 ILE 15 4.191 17.789 14.256 127 HG22 ILE 15 2HG2 ILE 15 2.976 16.536 14.006 128 HG23 ILE 15 3HG2 ILE 15 3.491 17.546 12.655 129 HD11 ILE 15 3HD1 ILE 15 3.473 19.440 16.056 130 HD12 ILE 15 1HD1 ILE 15 4.162 20.919 15.388 131 HD13 ILE 15 2HD1 ILE 15 2.506 20.913 15.994 132 H ASN 16 H ASN 16 -0.534 18.011 14.915 133 HA ASN 16 HA ASN 16 -1.941 20.574 14.583 134 HB2 ASN 16 1HB ASN 16 -3.119 17.818 14.884 135 HB3 ASN 16 2HB ASN 16 -4.029 19.260 15.324 136 HD21 ASN 16 2HD2 ASN 16 -2.814 17.318 12.767 137 HD22 ASN 16 1HD2 ASN 16 -3.545 18.187 11.465 138 H SER 17 H SER 17 0.154 19.388 16.459 139 HA SER 17 HA SER 17 -1.144 20.300 18.920 140 HG SER 17 HG SER 17 -2.191 18.105 18.656 141 HB2 SER 17 1HB SER 17 0.605 17.837 18.879 142 HB3 SER 17 2HB SER 17 -0.355 18.457 20.222 143 H VAL 18 H VAL 18 0.116 21.573 20.159 144 HA VAL 18 HA VAL 18 2.655 22.414 19.112 145 HB VAL 18 HB VAL 18 2.683 24.043 20.892 146 HG11 VAL 18 1HG1 VAL 18 -0.062 23.681 19.700 147 HG12 VAL 18 2HG1 VAL 18 0.497 25.153 20.498 148 HG13 VAL 18 3HG1 VAL 18 1.282 24.597 19.019 149 HG21 VAL 18 3HG2 VAL 18 1.893 23.499 22.898 150 HG22 VAL 18 1HG2 VAL 18 0.261 23.668 22.251 151 HG23 VAL 18 2HG2 VAL 18 1.056 22.094 22.238 152 H ASP 19 H ASP 19 1.633 20.037 21.313 153 HA ASP 19 HA ASP 19 3.771 19.998 23.136 154 HB2 ASP 19 1HB ASP 19 1.644 18.741 23.423 155 HB3 ASP 19 2HB ASP 19 2.154 17.642 22.145 156 H ASP 20 H ASP 20 3.371 18.553 19.948 157 HA ASP 20 HA ASP 20 5.907 17.173 20.082 158 HB2 ASP 20 1HB ASP 20 3.733 17.439 18.042 159 HB3 ASP 20 2HB ASP 20 5.322 16.876 17.534 160 H ILE 21 H ILE 21 6.620 19.620 20.634 161 HA ILE 21 HA ILE 21 7.792 20.647 18.135 162 HB ILE 21 HB ILE 21 6.788 22.286 20.465 163 HG12 ILE 21 1HG1 ILE 21 5.916 22.221 17.568 164 HG13 ILE 21 2HG1 ILE 21 5.043 21.476 18.902 165 HG21 ILE 21 1HG2 ILE 21 8.846 23.234 19.642 166 HG22 ILE 21 2HG2 ILE 21 8.268 23.131 17.980 167 HG23 ILE 21 3HG2 ILE 21 7.493 24.235 19.116 168 HD11 ILE 21 3HD1 ILE 21 4.721 23.677 19.911 169 HD12 ILE 21 1HD1 ILE 21 5.581 24.416 18.561 170 HD13 ILE 21 2HD1 ILE 21 4.046 23.593 18.284 171 H ILE 22 H ILE 22 9.918 21.289 18.209 172 HA ILE 22 HA ILE 22 11.320 20.965 20.777 173 HB ILE 22 HB ILE 22 13.255 20.025 19.460 174 HG12 ILE 22 1HG1 ILE 22 11.228 19.302 17.366 175 HG13 ILE 22 2HG1 ILE 22 12.125 20.812 17.249 176 HG21 ILE 22 1HG2 ILE 22 11.442 18.751 20.815 177 HG22 ILE 22 2HG2 ILE 22 10.906 18.193 19.231 178 HG23 ILE 22 3HG2 ILE 22 12.546 17.848 19.778 179 HD11 ILE 22 3HD1 ILE 22 14.203 19.284 17.551 180 HD12 ILE 22 1HD1 ILE 22 13.103 18.006 17.034 181 HD13 ILE 22 2HD1 ILE 22 13.404 19.390 15.982 182 H ILE 23 H ILE 23 13.774 21.706 20.295 183 HA ILE 23 HA ILE 23 13.581 24.509 19.785 184 HB ILE 23 HB ILE 23 15.992 22.758 20.274 185 HG12 ILE 23 1HG1 ILE 23 15.858 24.200 22.472 186 HG13 ILE 23 2HG1 ILE 23 14.170 24.384 22.008 187 HG21 ILE 23 1HG2 ILE 23 15.727 25.662 19.708 188 HG22 ILE 23 2HG2 ILE 23 16.908 25.154 20.914 189 HG23 ILE 23 3HG2 ILE 23 17.008 24.535 19.266 190 HD11 ILE 23 3HD1 ILE 23 15.455 21.688 22.204 191 HD12 ILE 23 1HD1 ILE 23 14.773 22.500 23.612 192 HD13 ILE 23 2HD1 ILE 23 13.742 22.105 22.236 193 H LYS 24 H LYS 24 14.464 21.735 17.910 194 HA LYS 24 HA LYS 24 15.665 23.374 15.812 195 HB2 LYS 24 1HB LYS 24 15.303 20.376 15.977 196 HB3 LYS 24 2HB LYS 24 16.199 21.234 14.730 197 HG2 LYS 24 1HG LYS 24 16.881 21.092 17.659 198 HG3 LYS 24 2HG LYS 24 17.727 20.292 16.332 199 HD2 LYS 24 1HD LYS 24 17.471 23.276 16.710 200 HD3 LYS 24 2HD LYS 24 18.903 22.312 17.079 201 HE2 LYS 24 1HE LYS 24 17.637 22.583 14.354 202 HE3 LYS 24 2HE LYS 24 19.064 23.461 14.903 203 HZ1 LYS 24 3HZ LYS 24 18.879 20.502 14.753 204 HZ2 LYS 24 1HZ LYS 24 20.258 21.414 15.110 205 HZ3 LYS 24 2HZ LYS 24 19.582 21.475 13.561 206 H CYS 25 H CYS 25 12.639 22.748 16.703 207 HA CYS 25 HA CYS 25 11.540 22.025 14.117 208 HG CYS 25 HG CYS 25 8.774 22.914 13.924 209 HB2 CYS 25 1HB CYS 25 10.370 21.068 15.937 210 HB3 CYS 25 2HB CYS 25 10.327 22.592 16.816 211 H GLN 26 H GLN 26 10.497 23.365 12.721 212 HA GLN 26 HA GLN 26 10.424 26.225 13.427 213 HB2 GLN 26 1HB GLN 26 11.134 24.953 10.781 214 HB3 GLN 26 2HB GLN 26 10.838 26.673 10.994 215 HG2 GLN 26 1HG GLN 26 12.692 26.686 12.679 216 HG3 GLN 26 2HG GLN 26 13.054 25.032 12.188 217 HE21 GLN 26 2HE2 GLN 26 14.838 25.082 11.024 218 HE22 GLN 26 1HE2 GLN 26 15.175 26.173 9.727 219 H CYS 27 H CYS 27 8.523 27.219 13.197 220 HA CYS 27 HA CYS 27 6.480 25.992 11.481 221 HG CYS 27 HG CYS 27 5.235 28.495 14.690 222 HB2 CYS 27 1HB CYS 27 4.769 26.356 13.179 223 HB3 CYS 27 2HB CYS 27 6.042 25.322 13.814 224 H TRP 28 H TRP 28 4.426 27.711 11.820 225 HA TRP 28 HA TRP 28 5.573 30.300 11.003 226 HD1 TRP 28 HD1 TRP 28 4.945 27.033 9.160 227 HE1 TRP 28 HE1 TRP 28 6.252 27.030 6.942 228 HE3 TRP 28 HE3 TRP 28 4.458 31.970 7.926 229 HZ2 TRP 28 HZ2 TRP 28 6.981 28.877 4.936 230 HZ3 TRP 28 HZ3 TRP 28 5.490 32.772 5.841 231 HH2 TRP 28 HH2 TRP 28 6.725 31.256 4.379 232 HB2 TRP 28 1HB TRP 28 3.062 28.908 10.059 233 HB3 TRP 28 2HB TRP 28 3.460 30.578 9.666 234 H VAL 29 H VAL 29 4.759 32.161 11.867 235 HA VAL 29 HA VAL 29 2.683 31.850 13.938 236 HB VAL 29 HB VAL 29 4.952 33.843 13.976 237 HG11 VAL 29 1HG1 VAL 29 3.598 34.879 15.421 238 HG12 VAL 29 2HG1 VAL 29 2.521 33.487 15.546 239 HG13 VAL 29 3HG1 VAL 29 3.983 33.564 16.530 240 HG21 VAL 29 3HG2 VAL 29 5.773 31.545 14.247 241 HG22 VAL 29 1HG2 VAL 29 5.935 32.479 15.734 242 HG23 VAL 29 2HG2 VAL 29 4.634 31.301 15.571 243 H GLN 30 H GLN 30 1.153 33.485 14.160 244 HA GLN 30 HA GLN 30 0.665 35.007 11.748 245 HB2 GLN 30 1HB GLN 30 -1.094 33.734 13.110 246 HB3 GLN 30 2HB GLN 30 -1.005 35.068 14.252 247 HG2 GLN 30 1HG GLN 30 -1.675 36.626 12.510 248 HG3 GLN 30 2HG GLN 30 -1.730 35.307 11.341 249 HE21 GLN 30 2HE2 GLN 30 -3.874 35.461 10.868 250 HE22 GLN 30 1HE2 GLN 30 -5.131 35.108 12.000 251 H LYS 31 H LYS 31 1.469 36.968 11.461 252 HA LYS 31 HA LYS 31 1.479 38.855 13.692 253 HB2 LYS 31 1HB LYS 31 3.798 37.577 13.025 254 HB3 LYS 31 2HB LYS 31 3.891 39.010 12.009 255 HG2 LYS 31 1HG LYS 31 5.017 39.405 14.102 256 HG3 LYS 31 2HG LYS 31 3.577 40.420 13.996 257 HD2 LYS 31 1HD LYS 31 2.373 39.006 15.485 258 HD3 LYS 31 2HD LYS 31 3.625 37.764 15.417 259 HE2 LYS 31 1HE LYS 31 5.190 39.270 16.529 260 HE3 LYS 31 2HE LYS 31 3.960 40.532 16.569 261 HZ1 LYS 31 3HZ LYS 31 4.416 38.637 18.494 262 HZ2 LYS 31 1HZ LYS 31 3.010 38.105 17.718 263 HZ3 LYS 31 2HZ LYS 31 3.071 39.657 18.388 264 H ASN 32 H ASN 32 0.968 40.899 13.109 265 HA ASN 32 HA ASN 32 0.124 42.578 11.822 266 HB2 ASN 32 1HB ASN 32 2.378 41.601 10.064 267 HB3 ASN 32 2HB ASN 32 1.441 43.049 9.708 268 HD21 ASN 32 2HD2 ASN 32 4.308 42.383 10.595 269 HD22 ASN 32 1HD2 ASN 32 4.606 43.529 11.853 270 H ASP 33 H ASP 33 -1.505 40.469 11.702 271 HA ASP 33 HA ASP 33 -3.116 39.405 10.491 272 HB2 ASP 33 1HB ASP 33 -2.679 41.895 8.843 273 HB3 ASP 33 2HB ASP 33 -3.951 40.732 8.483 274 H GLU 34 H GLU 34 -0.285 38.772 9.917 275 HA GLU 34 HA GLU 34 -0.742 37.421 7.360 276 HB2 GLU 34 1HB GLU 34 1.548 39.240 8.027 277 HB3 GLU 34 2HB GLU 34 1.778 37.906 6.905 278 HG2 GLU 34 1HG GLU 34 -0.474 39.821 6.499 279 HG3 GLU 34 2HG GLU 34 1.163 40.260 6.013 280 H GLU 35 H GLU 35 1.350 35.927 6.996 281 HA GLU 35 HA GLU 35 1.896 34.582 9.559 282 HB2 GLU 35 1HB GLU 35 1.870 32.429 8.248 283 HB3 GLU 35 2HB GLU 35 0.306 33.206 8.448 284 HG2 GLU 35 1HG GLU 35 1.426 34.200 6.058 285 HG3 GLU 35 2HG GLU 35 1.641 32.450 6.051 286 H ARG 36 H ARG 36 3.985 34.421 10.008 287 HA ARG 36 HA ARG 36 5.909 34.482 7.776 288 HE ARG 36 HE ARG 36 6.236 37.380 6.820 289 HB2 ARG 36 1HB ARG 36 6.480 35.470 10.566 290 HB3 ARG 36 2HB ARG 36 7.422 35.740 9.106 291 HG2 ARG 36 1HG ARG 36 4.917 36.791 8.526 292 HG3 ARG 36 2HG ARG 36 5.233 37.266 10.196 293 HD2 ARG 36 1HD ARG 36 6.273 38.991 9.145 294 HD3 ARG 36 2HD ARG 36 7.613 37.845 9.168 295 HH11 ARG 36 1HH1 ARG 36 7.953 40.026 8.294 296 HH12 ARG 36 2HH1 ARG 36 8.447 40.718 6.785 297 HH21 ARG 36 1HH2 ARG 36 6.880 38.281 4.826 298 HH22 ARG 36 2HH2 ARG 36 7.835 39.725 4.813 299 H LEU 37 H LEU 37 7.963 33.384 8.190 300 HA LEU 37 HA LEU 37 7.504 30.845 9.508 301 HG LEU 37 HG LEU 37 9.853 29.509 9.429 302 HB2 LEU 37 1HB LEU 37 8.563 31.054 7.255 303 HB3 LEU 37 2HB LEU 37 9.958 31.793 8.039 304 HD11 LEU 37 1HD1 LEU 37 8.669 28.860 6.737 305 HD12 LEU 37 2HD1 LEU 37 7.943 28.582 8.319 306 HD13 LEU 37 3HD1 LEU 37 9.371 27.669 7.832 307 HD21 LEU 37 3HD2 LEU 37 11.100 29.214 6.770 308 HD22 LEU 37 1HD2 LEU 37 11.794 29.025 8.381 309 HD23 LEU 37 2HD2 LEU 37 11.569 30.637 7.701 310 H ALA 38 H ALA 38 7.836 30.725 11.628 311 HA ALA 38 HA ALA 38 10.120 32.184 12.781 312 HB1 ALA 38 1HB ALA 38 7.613 32.527 13.535 313 HB2 ALA 38 2HB ALA 38 7.961 31.100 14.513 314 HB3 ALA 38 3HB ALA 38 8.938 32.556 14.699 315 H GLU 39 H GLU 39 11.693 31.093 13.823 316 HA GLU 39 HA GLU 39 11.496 28.169 13.841 317 HB2 GLU 39 1HB GLU 39 13.417 28.955 12.658 318 HB3 GLU 39 2HB GLU 39 13.851 30.050 13.964 319 HG2 GLU 39 1HG GLU 39 14.556 28.287 15.350 320 HG3 GLU 39 2HG GLU 39 13.791 27.073 14.327 321 H ILE 40 H ILE 40 11.394 27.035 15.674 322 HA ILE 40 HA ILE 40 10.950 28.300 18.156 323 HB ILE 40 HB ILE 40 11.652 25.406 17.647 324 HG12 ILE 40 1HG1 ILE 40 9.671 26.212 16.375 325 HG13 ILE 40 2HG1 ILE 40 9.264 24.996 17.582 326 HG21 ILE 40 1HG2 ILE 40 10.882 26.928 20.049 327 HG22 ILE 40 2HG2 ILE 40 10.054 25.390 19.814 328 HG23 ILE 40 3HG2 ILE 40 11.814 25.439 19.897 329 HD11 ILE 40 3HD1 ILE 40 8.015 27.410 17.227 330 HD12 ILE 40 1HD1 ILE 40 7.903 26.382 18.656 331 HD13 ILE 40 2HD1 ILE 40 9.071 27.704 18.609 332 H LEU 41 H LEU 41 12.223 28.558 19.951 333 HA LEU 41 HA LEU 41 15.098 28.021 19.588 334 HG LEU 41 HG LEU 41 14.279 30.698 18.549 335 HB2 LEU 41 1HB LEU 41 13.658 30.314 20.877 336 HB3 LEU 41 2HB LEU 41 15.335 29.944 21.274 337 HD11 LEU 41 1HD1 LEU 41 15.905 32.206 20.586 338 HD12 LEU 41 2HD1 LEU 41 14.298 32.609 19.985 339 HD13 LEU 41 3HD1 LEU 41 15.693 32.715 18.911 340 HD21 LEU 41 3HD2 LEU 41 16.865 30.921 18.217 341 HD22 LEU 41 1HD2 LEU 41 16.070 29.359 18.024 342 HD23 LEU 41 2HD2 LEU 41 16.929 29.733 19.519 343 H SER 42 H SER 42 12.395 28.042 21.840 344 HA SER 42 HA SER 42 13.548 25.907 23.359 345 HG SER 42 HG SER 42 14.812 27.248 26.175 346 HB2 SER 42 1HB SER 42 14.298 28.458 24.168 347 HB3 SER 42 2HB SER 42 12.971 28.045 25.254 348 H ILE 43 H ILE 43 12.112 25.459 25.356 349 HA ILE 43 HA ILE 43 9.316 26.138 24.728 350 HB ILE 43 HB ILE 43 10.275 23.433 25.666 351 HG12 ILE 43 1HG1 ILE 43 9.200 24.205 22.948 352 HG13 ILE 43 2HG1 ILE 43 10.911 24.000 23.306 353 HG21 ILE 43 1HG2 ILE 43 8.105 23.697 26.475 354 HG22 ILE 43 2HG2 ILE 43 7.578 24.580 25.043 355 HG23 ILE 43 3HG2 ILE 43 7.880 22.845 24.948 356 HD11 ILE 43 3HD1 ILE 43 10.515 21.930 22.525 357 HD12 ILE 43 1HD1 ILE 43 9.986 21.646 24.183 358 HD13 ILE 43 2HD1 ILE 43 8.799 21.988 22.924 359 H ASN 44 H ASN 44 7.947 26.458 26.450 360 HA ASN 44 HA ASN 44 9.066 26.162 29.148 361 HB2 ASN 44 1HB ASN 44 9.377 28.507 28.452 362 HB3 ASN 44 2HB ASN 44 7.651 28.635 28.126 363 HD21 ASN 44 2HD2 ASN 44 6.443 29.425 29.686 364 HD22 ASN 44 1HD2 ASN 44 6.857 29.484 31.362 365 H THR 45 H THR 45 7.759 24.530 29.802 366 HA THR 45 HA THR 45 4.865 24.800 29.422 367 HB THR 45 HB THR 45 4.737 22.450 30.191 368 HG1 THR 45 HG1 THR 45 6.495 22.112 31.442 369 HG21 THR 45 3HG2 THR 45 5.547 23.382 27.745 370 HG22 THR 45 1HG2 THR 45 5.087 21.717 28.096 371 HG23 THR 45 2HG2 THR 45 6.787 22.186 28.119 372 H ARG 46 H ARG 46 5.212 26.631 31.092 373 HA ARG 46 HA ARG 46 4.908 25.493 33.794 374 HE ARG 46 HE ARG 46 9.193 25.807 35.546 375 HB2 ARG 46 1HB ARG 46 6.242 28.011 32.854 376 HB3 ARG 46 2HB ARG 46 5.595 27.909 34.486 377 HG2 ARG 46 1HG ARG 46 7.473 25.825 33.445 378 HG3 ARG 46 2HG ARG 46 8.071 27.350 34.101 379 HD2 ARG 46 1HD ARG 46 6.721 26.868 36.167 380 HD3 ARG 46 2HD ARG 46 6.417 25.262 35.506 381 HH11 ARG 46 1HH1 ARG 46 6.525 25.013 37.636 382 HH12 ARG 46 2HH1 ARG 46 7.517 24.234 38.824 383 HH21 ARG 46 1HH2 ARG 46 10.511 24.784 37.102 384 HH22 ARG 46 2HH2 ARG 46 9.784 24.105 38.519 385 H LYS 47 H LYS 47 3.102 26.502 31.394 386 HA LYS 47 HA LYS 47 1.097 27.680 33.173 387 HB2 LYS 47 1HB LYS 47 2.509 29.269 31.448 388 HB3 LYS 47 2HB LYS 47 1.111 28.840 30.471 389 HG2 LYS 47 1HG LYS 47 0.197 30.634 31.460 390 HG3 LYS 47 2HG LYS 47 -0.108 29.503 32.780 391 HD2 LYS 47 1HD LYS 47 1.825 30.240 33.961 392 HD3 LYS 47 2HD LYS 47 2.390 31.176 32.575 393 HE2 LYS 47 1HE LYS 47 0.474 32.666 32.788 394 HE3 LYS 47 2HE LYS 47 -0.132 31.714 34.142 395 HZ1 LYS 47 3HZ LYS 47 2.167 32.246 35.159 396 HZ2 LYS 47 1HZ LYS 47 0.958 33.429 35.188 397 HZ3 LYS 47 2HZ LYS 47 2.194 33.512 34.037 398 H ALA 48 H ALA 48 -1.050 27.916 31.801 399 HA ALA 48 HA ALA 48 -1.357 25.635 29.989 400 HB1 ALA 48 1HB ALA 48 -2.058 24.539 31.887 401 HB2 ALA 48 2HB ALA 48 -2.733 25.999 32.612 402 HB3 ALA 48 3HB ALA 48 -3.578 25.200 31.286 403 HA PRO 49 HA PRO 49 -1.715 25.389 28.156 404 HB2 PRO 49 1HB PRO 49 -1.123 26.630 25.815 405 HB3 PRO 49 2HB PRO 49 -2.656 25.799 26.100 406 HG2 PRO 49 1HG PRO 49 -2.030 28.723 26.250 407 HG3 PRO 49 2HG PRO 49 -3.440 27.915 25.540 408 HD2 PRO 49 1HD PRO 49 -3.503 29.074 27.987 409 HD3 PRO 49 2HD PRO 49 -4.469 27.639 27.585 410 HA PRO 50 HA PRO 50 2.387 26.729 29.002 411 HB2 PRO 50 1HB PRO 50 3.838 25.332 27.182 412 HB3 PRO 50 2HB PRO 50 3.073 24.577 28.585 413 HG2 PRO 50 1HG PRO 50 2.133 24.687 25.745 414 HG3 PRO 50 2HG PRO 50 2.116 23.322 26.877 415 HD2 PRO 50 1HD PRO 50 -0.086 24.810 26.356 416 HD3 PRO 50 2HD PRO 50 0.210 24.064 27.940 417 H LYS 51 H LYS 51 4.494 27.434 27.770 418 HA LYS 51 HA LYS 51 3.728 29.220 25.556 419 HB2 LYS 51 1HB LYS 51 5.404 29.796 27.988 420 HB3 LYS 51 2HB LYS 51 5.557 30.756 26.523 421 HG2 LYS 51 1HG LYS 51 3.226 31.399 26.664 422 HG3 LYS 51 2HG LYS 51 3.010 30.374 28.085 423 HD2 LYS 51 1HD LYS 51 4.151 31.807 29.460 424 HD3 LYS 51 2HD LYS 51 5.153 32.438 28.151 425 HE2 LYS 51 1HE LYS 51 3.091 33.561 27.255 426 HE3 LYS 51 2HE LYS 51 2.270 33.086 28.741 427 HZ1 LYS 51 3HZ LYS 51 3.821 34.376 30.014 428 HZ2 LYS 51 1HZ LYS 51 3.161 35.363 28.809 429 HZ3 LYS 51 2HZ LYS 51 4.728 34.749 28.636 430 H PHE 52 H PHE 52 5.489 29.831 24.124 431 HA PHE 52 HA PHE 52 7.818 28.057 24.189 432 HD1 PHE 52 HD2 PHE 52 4.107 27.644 23.171 433 HD2 PHE 52 HD1 PHE 52 7.567 25.260 22.490 434 HE1 PHE 52 HE2 PHE 52 2.848 25.635 23.828 435 HE2 PHE 52 HE1 PHE 52 6.313 23.247 23.145 436 HZ PHE 52 HZ PHE 52 3.951 23.433 23.816 437 HB2 PHE 52 1HB PHE 52 6.047 28.418 21.762 438 HB3 PHE 52 2HB PHE 52 7.548 27.499 21.814 439 H TYR 53 H TYR 53 9.623 28.814 23.002 440 HA TYR 53 HA TYR 53 9.573 31.714 22.586 441 HD1 TYR 53 HD2 TYR 53 10.322 33.094 23.961 442 HD2 TYR 53 HD1 TYR 53 13.966 31.471 22.480 443 HE1 TYR 53 HE2 TYR 53 11.373 35.310 24.135 444 HE2 TYR 53 HE1 TYR 53 15.027 33.683 22.651 445 HH TYR 53 HH TYR 53 14.215 35.983 24.384 446 HB2 TYR 53 1HB TYR 53 11.273 30.389 24.102 447 HB3 TYR 53 2HB TYR 53 12.099 30.113 22.573 448 H VAL 54 H VAL 54 9.359 32.420 20.578 449 HA VAL 54 HA VAL 54 10.404 30.764 18.376 450 HB VAL 54 HB VAL 54 8.787 32.084 16.939 451 HG11 VAL 54 1HG1 VAL 54 7.462 30.425 19.073 452 HG12 VAL 54 2HG1 VAL 54 6.970 30.621 17.390 453 HG13 VAL 54 3HG1 VAL 54 8.447 29.739 17.782 454 HG21 VAL 54 3HG2 VAL 54 6.861 33.088 18.112 455 HG22 VAL 54 1HG2 VAL 54 7.696 32.844 19.647 456 HG23 VAL 54 2HG2 VAL 54 8.371 33.938 18.440 457 H HIS 55 H HIS 55 11.344 31.860 16.561 458 HA HIS 55 HA HIS 55 12.181 34.627 17.026 459 HD1 HIS 55 HD1 HIS 55 14.069 35.983 15.997 460 HD2 HIS 55 HD2 HIS 55 16.337 32.562 15.350 461 HE1 HIS 55 HE1 HIS 55 15.967 36.705 14.513 462 HB2 HIS 55 1HB HIS 55 14.083 33.557 17.869 463 HB3 HIS 55 2HB HIS 55 13.990 32.252 16.689 464 H TYR 56 H TYR 56 11.665 35.760 15.286 465 HA TYR 56 HA TYR 56 10.905 34.592 12.829 466 HD1 TYR 56 HD2 TYR 56 8.517 36.169 11.984 467 HD2 TYR 56 HD1 TYR 56 10.359 37.551 15.562 468 HE1 TYR 56 HE2 TYR 56 6.304 36.374 13.037 469 HE2 TYR 56 HE1 TYR 56 8.151 37.758 16.626 470 HH TYR 56 HH TYR 56 5.826 36.639 16.272 471 HB2 TYR 56 1HB TYR 56 11.602 37.461 13.489 472 HB3 TYR 56 2HB TYR 56 10.838 36.931 11.994 473 H VAL 57 H VAL 57 12.321 33.542 11.586 474 HA VAL 57 HA VAL 57 15.086 33.992 11.489 475 HB VAL 57 HB VAL 57 13.354 32.733 9.357 476 HG11 VAL 57 1HG1 VAL 57 15.237 32.577 8.187 477 HG12 VAL 57 2HG1 VAL 57 16.181 33.253 9.516 478 HG13 VAL 57 3HG1 VAL 57 15.870 31.518 9.446 479 HG21 VAL 57 3HG2 VAL 57 14.733 31.524 11.751 480 HG22 VAL 57 1HG2 VAL 57 12.996 31.630 11.469 481 HG23 VAL 57 2HG2 VAL 57 13.994 30.599 10.444 482 H ASN 58 H ASN 58 12.443 35.466 9.768 483 HA ASN 58 HA ASN 58 14.043 36.631 7.700 484 HB2 ASN 58 1HB ASN 58 11.956 38.055 7.349 485 HB3 ASN 58 2HB ASN 58 11.755 36.314 7.171 486 HD21 ASN 58 2HD2 ASN 58 10.733 35.147 8.854 487 HD22 ASN 58 1HD2 ASN 58 9.655 35.938 9.949 488 H TYR 59 H TYR 59 13.260 37.455 10.951 489 HA TYR 59 HA TYR 59 14.344 40.164 10.564 490 HD1 TYR 59 HD2 TYR 59 12.990 41.684 10.121 491 HD2 TYR 59 HD1 TYR 59 10.279 39.335 12.408 492 HE1 TYR 59 HE2 TYR 59 11.109 42.622 8.843 493 HE2 TYR 59 HE1 TYR 59 8.390 40.265 11.136 494 HH TYR 59 HH TYR 59 8.917 42.491 8.431 495 HB2 TYR 59 1HB TYR 59 12.553 39.045 12.724 496 HB3 TYR 59 2HB TYR 59 13.291 40.641 12.803 497 H ASN 60 H ASN 60 15.220 40.878 12.953 498 HA ASN 60 HA ASN 60 17.592 39.272 13.288 499 HB2 ASN 60 1HB ASN 60 16.646 41.886 14.444 500 HB3 ASN 60 2HB ASN 60 18.085 41.081 15.063 501 HD21 ASN 60 2HD2 ASN 60 16.718 42.918 12.512 502 HD22 ASN 60 1HD2 ASN 60 18.159 43.106 11.577 503 H LYS 61 H LYS 61 18.368 38.975 15.654 504 HA LYS 61 HA LYS 61 16.579 37.156 16.901 505 HB2 LYS 61 1HB LYS 61 19.237 38.315 17.726 506 HB3 LYS 61 2HB LYS 61 18.356 37.177 18.736 507 HG2 LYS 61 1HG LYS 61 19.826 35.817 17.588 508 HG3 LYS 61 2HG LYS 61 18.344 35.674 16.639 509 HD2 LYS 61 1HD LYS 61 19.168 37.006 14.921 510 HD3 LYS 61 2HD LYS 61 20.395 37.746 15.952 511 HE2 LYS 61 1HE LYS 61 21.453 35.442 16.090 512 HE3 LYS 61 2HE LYS 61 20.367 34.974 14.782 513 HZ1 LYS 61 3HZ LYS 61 22.818 36.096 14.477 514 HZ2 LYS 61 1HZ LYS 61 21.781 37.413 14.252 515 HZ3 LYS 61 2HZ LYS 61 21.614 36.032 13.291 516 H ARG 62 H ARG 62 16.806 40.503 17.024 517 HA ARG 62 HA ARG 62 15.975 40.838 19.765 518 HE ARG 62 HE ARG 62 16.435 45.079 18.667 519 HB2 ARG 62 1HB ARG 62 15.880 43.194 19.267 520 HB3 ARG 62 2HB ARG 62 17.348 42.529 18.563 521 HG2 ARG 62 1HG ARG 62 15.970 42.330 16.401 522 HG3 ARG 62 2HG ARG 62 14.850 43.442 17.192 523 HD2 ARG 62 1HD ARG 62 17.764 43.910 16.581 524 HD3 ARG 62 2HD ARG 62 16.378 44.712 15.843 525 HH11 ARG 62 1HH1 ARG 62 17.830 46.186 15.676 526 HH12 ARG 62 2HH1 ARG 62 18.217 47.760 16.288 527 HH21 ARG 62 1HH2 ARG 62 16.939 47.148 19.485 528 HH22 ARG 62 2HH2 ARG 62 17.711 48.306 18.455 529 H LEU 63 H LEU 63 14.419 39.682 17.144 530 HA LEU 63 HA LEU 63 11.863 40.993 17.719 531 HG LEU 63 HG LEU 63 11.656 41.067 14.065 532 HB2 LEU 63 1HB LEU 63 13.009 39.543 15.415 533 HB3 LEU 63 2HB LEU 63 11.284 39.317 15.700 534 HD11 LEU 63 1HD1 LEU 63 10.113 42.538 14.894 535 HD12 LEU 63 2HD1 LEU 63 10.853 42.588 16.494 536 HD13 LEU 63 3HD1 LEU 63 9.895 41.189 16.010 537 HD21 LEU 63 3HD2 LEU 63 13.899 41.674 15.501 538 HD22 LEU 63 1HD2 LEU 63 12.817 43.000 15.926 539 HD23 LEU 63 2HD2 LEU 63 13.198 42.680 14.233 540 H ASP 64 H ASP 64 13.557 37.998 18.092 541 HA ASP 64 HA ASP 64 11.516 36.161 18.378 542 HB2 ASP 64 1HB ASP 64 13.034 34.822 19.636 543 HB3 ASP 64 2HB ASP 64 14.006 35.722 18.475 544 H GLU 65 H GLU 65 10.511 35.261 20.291 545 HA GLU 65 HA GLU 65 10.515 36.549 22.795 546 HB2 GLU 65 1HB GLU 65 8.391 37.691 22.771 547 HB3 GLU 65 2HB GLU 65 9.397 38.336 21.482 548 HG2 GLU 65 1HG GLU 65 8.190 36.809 19.904 549 HG3 GLU 65 2HG GLU 65 7.085 36.434 21.225 550 H TRP 66 H TRP 66 8.144 36.003 23.866 551 HA TRP 66 HA TRP 66 7.908 33.106 23.487 552 HD1 TRP 66 HD1 TRP 66 9.659 35.474 26.441 553 HE1 TRP 66 HE1 TRP 66 11.623 34.043 27.290 554 HE3 TRP 66 HE3 TRP 66 7.763 30.829 25.459 555 HZ2 TRP 66 HZ2 TRP 66 12.281 31.308 27.513 556 HZ3 TRP 66 HZ3 TRP 66 9.124 28.857 26.020 557 HH2 TRP 66 HH2 TRP 66 11.336 29.094 27.025 558 HB2 TRP 66 1HB TRP 66 7.176 34.924 25.783 559 HB3 TRP 66 2HB TRP 66 6.700 33.229 25.720 560 H ILE 67 H ILE 67 6.174 32.253 22.550 561 HA ILE 67 HA ILE 67 3.716 33.874 22.412 562 HB ILE 67 HB ILE 67 3.235 32.834 20.232 563 HG12 ILE 67 1HG1 ILE 67 6.077 31.828 20.233 564 HG13 ILE 67 2HG1 ILE 67 4.730 30.814 20.737 565 HG21 ILE 67 1HG2 ILE 67 5.708 34.464 20.623 566 HG22 ILE 67 2HG2 ILE 67 5.233 33.954 19.004 567 HG23 ILE 67 3HG2 ILE 67 4.141 34.943 19.972 568 HD11 ILE 67 3HD1 ILE 67 5.150 32.058 18.033 569 HD12 ILE 67 1HD1 ILE 67 5.244 30.348 18.452 570 HD13 ILE 67 2HD1 ILE 67 3.694 31.189 18.517 571 H THR 68 H THR 68 1.720 32.677 22.277 572 HA THR 68 HA THR 68 1.875 30.156 23.767 573 HB THR 68 HB THR 68 -0.746 30.669 23.820 574 HG1 THR 68 HG1 THR 68 -1.037 32.949 23.947 575 HG21 THR 68 3HG2 THR 68 0.477 30.412 25.832 576 HG22 THR 68 1HG2 THR 68 -0.298 31.992 25.939 577 HG23 THR 68 2HG2 THR 68 1.415 31.875 25.536 578 H THR 69 H THR 69 -0.083 28.657 23.255 579 HA THR 69 HA THR 69 0.294 27.529 20.751 580 HB THR 69 HB THR 69 -1.692 26.184 21.167 581 HG1 THR 69 HG1 THR 69 -3.053 26.689 22.924 582 HG21 THR 69 3HG2 THR 69 -0.246 26.678 23.771 583 HG22 THR 69 1HG2 THR 69 0.402 25.722 22.438 584 HG23 THR 69 2HG2 THR 69 -1.060 25.196 23.271 585 H ASP 70 H ASP 70 -2.234 29.764 21.836 586 HA ASP 70 HA ASP 70 -3.730 29.770 19.451 587 HB2 ASP 70 1HB ASP 70 -3.470 31.723 21.726 588 HB3 ASP 70 2HB ASP 70 -4.491 32.071 20.333 589 H ARG 71 H ARG 71 -0.676 31.065 20.174 590 HA ARG 71 HA ARG 71 -0.822 33.028 18.003 591 HE ARG 71 HE ARG 71 -0.025 37.276 20.534 592 HB2 ARG 71 1HB ARG 71 1.266 32.533 20.130 593 HB3 ARG 71 2HB ARG 71 1.446 33.712 18.837 594 HG2 ARG 71 1HG ARG 71 -0.842 34.602 19.745 595 HG3 ARG 71 2HG ARG 71 -0.344 33.760 21.213 596 HD2 ARG 71 1HD ARG 71 1.600 35.076 21.428 597 HD3 ARG 71 2HD ARG 71 1.457 35.693 19.783 598 HH11 ARG 71 1HH1 ARG 71 0.434 34.854 22.993 599 HH12 ARG 71 2HH1 ARG 71 -0.422 35.741 24.211 600 HH21 ARG 71 1HH2 ARG 71 -1.154 38.453 22.129 601 HH22 ARG 71 2HH2 ARG 71 -1.326 37.788 23.717 602 H ILE 72 H ILE 72 -0.565 29.950 17.900 603 HA ILE 72 HA ILE 72 1.810 29.873 16.155 604 HB ILE 72 HB ILE 72 0.512 27.587 17.643 605 HG12 ILE 72 1HG1 ILE 72 3.281 28.717 18.037 606 HG13 ILE 72 2HG1 ILE 72 1.894 29.284 18.961 607 HG21 ILE 72 1HG2 ILE 72 2.959 27.627 15.881 608 HG22 ILE 72 2HG2 ILE 72 2.388 26.248 16.819 609 HG23 ILE 72 3HG2 ILE 72 1.410 26.878 15.494 610 HD11 ILE 72 3HD1 ILE 72 1.601 26.728 19.470 611 HD12 ILE 72 1HD1 ILE 72 3.320 26.684 19.079 612 HD13 ILE 72 2HD1 ILE 72 2.738 27.719 20.383 613 H ASN 73 H ASN 73 1.643 28.964 14.127 614 HA ASN 73 HA ASN 73 -1.095 28.660 13.127 615 HB2 ASN 73 1HB ASN 73 0.685 30.260 12.103 616 HB3 ASN 73 2HB ASN 73 1.344 28.796 11.378 617 HD21 ASN 73 2HD2 ASN 73 -0.353 31.321 10.580 618 HD22 ASN 73 1HD2 ASN 73 -1.495 30.648 9.472 619 H LEU 74 H LEU 74 -1.747 26.601 13.342 620 HA LEU 74 HA LEU 74 0.108 24.422 12.760 621 HG LEU 74 HG LEU 74 -1.554 23.220 15.828 622 HB2 LEU 74 1HB LEU 74 -2.508 24.664 14.153 623 HB3 LEU 74 2HB LEU 74 -2.090 23.111 13.432 624 HD11 LEU 74 1HD1 LEU 74 0.183 22.451 13.702 625 HD12 LEU 74 2HD1 LEU 74 -0.009 21.725 15.297 626 HD13 LEU 74 3HD1 LEU 74 1.152 23.030 15.057 627 HD21 LEU 74 3HD2 LEU 74 -0.330 24.844 16.792 628 HD22 LEU 74 1HD2 LEU 74 -0.813 25.783 15.379 629 HD23 LEU 74 2HD2 LEU 74 0.761 24.988 15.413 630 H ASP 75 H ASP 75 -1.218 26.271 10.741 631 HA ASP 75 HA ASP 75 -2.716 24.297 9.173 632 HB2 ASP 75 1HB ASP 75 -3.544 26.709 9.615 633 HB3 ASP 75 2HB ASP 75 -2.349 27.182 8.411 634 H LYS 76 H LYS 76 0.320 25.877 9.363 635 HA LYS 76 HA LYS 76 0.998 25.166 6.601 636 HB2 LYS 76 1HB LYS 76 2.158 27.033 8.626 637 HB3 LYS 76 2HB LYS 76 3.210 26.385 7.375 638 HG2 LYS 76 1HG LYS 76 2.536 28.200 6.242 639 HG3 LYS 76 2HG LYS 76 1.133 27.197 5.868 640 HD2 LYS 76 1HD LYS 76 -0.224 28.304 7.367 641 HD3 LYS 76 2HD LYS 76 1.133 28.831 8.366 642 HE2 LYS 76 1HE LYS 76 0.447 30.789 7.315 643 HE3 LYS 76 2HE LYS 76 1.802 30.251 6.324 644 HZ1 LYS 76 3HZ LYS 76 -0.486 29.065 5.289 645 HZ2 LYS 76 1HZ LYS 76 0.452 30.287 4.588 646 HZ3 LYS 76 2HZ LYS 76 -0.873 30.690 5.559 647 H GLU 77 H GLU 77 2.624 23.736 6.090 648 HA GLU 77 HA GLU 77 3.048 21.540 7.722 649 HB2 GLU 77 1HB GLU 77 4.960 22.493 5.588 650 HB3 GLU 77 2HB GLU 77 4.735 20.844 6.155 651 HG2 GLU 77 1HG GLU 77 2.295 21.168 5.339 652 HG3 GLU 77 2HG GLU 77 2.977 22.494 4.399 653 H VAL 78 H VAL 78 4.730 20.845 9.033 654 HA VAL 78 HA VAL 78 6.356 23.004 10.169 655 HB VAL 78 HB VAL 78 5.723 20.259 11.259 656 HG11 VAL 78 1HG1 VAL 78 7.377 22.513 12.373 657 HG12 VAL 78 2HG1 VAL 78 6.737 21.201 13.365 658 HG13 VAL 78 3HG1 VAL 78 7.875 20.850 12.064 659 HG21 VAL 78 3HG2 VAL 78 4.564 21.732 13.023 660 HG22 VAL 78 1HG2 VAL 78 4.644 23.002 11.803 661 HG23 VAL 78 2HG2 VAL 78 3.766 21.510 11.466 662 H LEU 79 H LEU 79 8.555 22.946 10.228 663 HA LEU 79 HA LEU 79 9.835 20.861 8.608 664 HG LEU 79 HG LEU 79 9.249 23.621 7.405 665 HB2 LEU 79 1HB LEU 79 10.666 23.648 9.372 666 HB3 LEU 79 2HB LEU 79 11.772 22.499 8.621 667 HD11 LEU 79 1HD1 LEU 79 12.151 24.018 6.692 668 HD12 LEU 79 2HD1 LEU 79 11.113 25.201 7.486 669 HD13 LEU 79 3HD1 LEU 79 10.765 24.693 5.834 670 HD21 LEU 79 3HD2 LEU 79 9.348 21.499 6.494 671 HD22 LEU 79 1HD2 LEU 79 11.110 21.443 6.552 672 HD23 LEU 79 2HD2 LEU 79 10.300 22.441 5.344 673 H TYR 80 H TYR 80 11.196 19.431 9.478 674 HA TYR 80 HA TYR 80 12.197 19.936 12.202 675 HD1 TYR 80 HD2 TYR 80 11.285 18.880 14.457 676 HD2 TYR 80 HD1 TYR 80 8.737 17.797 11.226 677 HE1 TYR 80 HE2 TYR 80 9.319 19.387 15.845 678 HE2 TYR 80 HE1 TYR 80 6.764 18.303 12.605 679 HH TYR 80 HH TYR 80 6.539 18.364 15.541 680 HB2 TYR 80 1HB TYR 80 11.031 17.406 11.049 681 HB3 TYR 80 2HB TYR 80 12.043 17.401 12.489 682 HA PRO 81 HA PRO 81 16.232 19.008 10.748 683 HB2 PRO 81 1HB PRO 81 17.320 17.762 12.900 684 HB3 PRO 81 2HB PRO 81 16.986 19.497 12.862 685 HG2 PRO 81 1HG PRO 81 15.382 17.287 14.088 686 HG3 PRO 81 2HG PRO 81 15.761 18.890 14.743 687 HD2 PRO 81 1HD PRO 81 13.375 18.309 13.603 688 HD3 PRO 81 2HD PRO 81 14.110 19.923 13.510 689 H LYS 82 H LYS 82 17.804 17.232 10.387 690 HA LYS 82 HA LYS 82 16.377 14.744 9.780 691 HB2 LYS 82 1HB LYS 82 17.611 16.017 7.975 692 HB3 LYS 82 2HB LYS 82 19.105 15.586 8.798 693 HG2 LYS 82 1HG LYS 82 18.945 13.964 7.170 694 HG3 LYS 82 2HG LYS 82 18.244 13.156 8.574 695 HD2 LYS 82 1HD LYS 82 16.038 13.489 7.778 696 HD3 LYS 82 2HD LYS 82 16.579 14.630 6.545 697 HE2 LYS 82 1HE LYS 82 17.652 11.851 6.506 698 HE3 LYS 82 2HE LYS 82 16.007 12.132 5.940 699 HZ1 LYS 82 3HZ LYS 82 17.899 14.008 4.875 700 HZ2 LYS 82 1HZ LYS 82 16.746 13.064 4.074 701 HZ3 LYS 82 2HZ LYS 82 18.259 12.409 4.454 702 H LEU 83 H LEU 83 16.650 13.052 11.063 703 HA LEU 83 HA LEU 83 19.217 12.746 12.472 704 HG LEU 83 HG LEU 83 18.942 11.361 14.812 705 HB2 LEU 83 1HB LEU 83 17.030 13.451 13.786 706 HB3 LEU 83 2HB LEU 83 16.718 11.718 13.712 707 HD11 LEU 83 1HD1 LEU 83 19.785 13.385 16.084 708 HD12 LEU 83 2HD1 LEU 83 18.817 14.358 14.978 709 HD13 LEU 83 3HD1 LEU 83 20.118 13.347 14.352 710 HD21 LEU 83 3HD2 LEU 83 16.920 11.211 16.107 711 HD22 LEU 83 1HD2 LEU 83 16.851 12.966 16.276 712 HD23 LEU 83 2HD2 LEU 83 18.145 12.055 17.055 713 H LYS 84 H LYS 84 19.791 10.551 13.012 714 HA LYS 84 HA LYS 84 20.214 8.404 12.372 715 HB2 LYS 84 1HB LYS 84 17.936 8.283 13.544 716 HB3 LYS 84 2HB LYS 84 17.243 8.157 11.932 717 HG2 LYS 84 1HG LYS 84 17.448 5.953 12.346 718 HG3 LYS 84 2HG LYS 84 19.090 6.229 11.760 719 HD2 LYS 84 1HD LYS 84 18.764 6.775 14.610 720 HD3 LYS 84 2HD LYS 84 18.419 5.100 14.171 721 HE2 LYS 84 1HE LYS 84 20.566 4.720 13.412 722 HE3 LYS 84 2HE LYS 84 20.874 6.429 13.112 723 HZ1 LYS 84 3HZ LYS 84 21.543 6.763 15.213 724 HZ2 LYS 84 1HZ LYS 84 21.806 5.092 15.224 725 HZ3 LYS 84 2HZ LYS 84 20.382 5.728 15.879 726 H ALA 85 H ALA 85 21.283 9.068 10.428 727 HA ALA 85 HA ALA 85 19.707 8.618 7.980 728 HB1 ALA 85 1HB ALA 85 20.666 10.860 8.131 729 HB2 ALA 85 2HB ALA 85 22.277 10.162 8.299 730 HB3 ALA 85 3HB ALA 85 21.375 9.946 6.799 731 H THR 86 H THR 86 20.099 6.286 8.634 732 HA THR 86 HA THR 86 22.719 5.384 7.625 733 HB THR 86 HB THR 86 20.891 3.859 9.488 734 HG1 THR 86 HG1 THR 86 22.001 5.849 10.318 735 HG21 THR 86 3HG2 THR 86 23.195 3.129 7.937 736 HG22 THR 86 1HG2 THR 86 22.185 2.120 8.971 737 HG23 THR 86 2HG2 THR 86 23.559 2.987 9.656 738 H ASP 87 H ASP 87 19.241 4.891 7.550 739 HA ASP 87 HA ASP 87 19.585 3.333 5.080 740 HB2 ASP 87 1HB ASP 87 17.541 2.750 7.235 741 HB3 ASP 87 2HB ASP 87 17.728 1.878 5.715 742 H GLU 88 H GLU 88 18.944 4.776 3.590 743 HA GLU 88 HA GLU 88 16.434 6.238 4.059 744 HB2 GLU 88 1HB GLU 88 17.238 7.704 2.171 745 HB3 GLU 88 2HB GLU 88 18.204 7.770 3.638 746 HG2 GLU 88 1HG GLU 88 19.926 6.473 2.679 747 HG3 GLU 88 2HG GLU 88 18.917 6.017 1.308 748 H ASP 89 H ASP 89 16.453 3.493 3.264 749 HA ASP 89 HA ASP 89 15.605 3.614 0.456 750 HB2 ASP 89 1HB ASP 89 16.125 1.190 2.190 751 HB3 ASP 89 2HB ASP 89 15.766 1.177 0.466 Start of MODEL 10 1 H1 GLY -2 H GLY -2 15.209 6.460 -21.666 2 HA2 GLY -2 1HA GLY -2 14.350 9.021 -21.844 3 HA3 GLY -2 2HA GLY -2 13.887 8.353 -23.403 4 H SER -1 H SER -1 12.756 6.111 -23.153 5 HA SER -1 HA SER -1 10.581 6.529 -21.236 6 HG SER -1 HG SER -1 9.139 6.508 -24.245 7 HB2 SER -1 1HB SER -1 10.645 4.569 -23.536 8 HB3 SER -1 2HB SER -1 9.234 5.133 -22.642 9 H HIS 0 H HIS 0 12.140 5.765 -19.544 10 HA HIS 0 HA HIS 0 12.189 2.820 -19.429 11 HD1 HIS 0 HD1 HIS 0 13.573 1.299 -19.703 12 HD2 HIS 0 HD2 HIS 0 15.836 2.835 -16.576 13 HE1 HIS 0 HE1 HIS 0 14.876 -0.651 -18.796 14 HB2 HIS 0 1HB HIS 0 14.390 4.279 -19.403 15 HB3 HIS 0 2HB HIS 0 13.974 4.488 -17.705 16 H MET 1 H MET 1 12.121 1.942 -17.166 17 HA MET 1 HA MET 1 9.772 2.778 -15.877 18 HB2 MET 1 1HB MET 1 11.125 0.503 -15.821 19 HB3 MET 1 2HB MET 1 11.829 1.219 -14.378 20 HG2 MET 1 1HG MET 1 9.879 1.115 -13.201 21 HG3 MET 1 2HG MET 1 8.874 1.223 -14.644 22 HE1 MET 1 3HE MET 1 7.727 -2.003 -15.371 23 HE2 MET 1 1HE MET 1 7.948 -0.311 -15.816 24 HE3 MET 1 2HE MET 1 9.030 -1.542 -16.467 25 H SER 2 H SER 2 9.754 3.224 -13.425 26 HA SER 2 HA SER 2 10.963 5.745 -13.001 27 HG SER 2 HG SER 2 8.206 3.697 -11.133 28 HB2 SER 2 1HB SER 2 10.152 5.203 -10.542 29 HB3 SER 2 2HB SER 2 8.988 5.550 -11.821 30 H HIS 3 H HIS 3 12.071 6.084 -10.714 31 HA HIS 3 HA HIS 3 14.027 4.010 -10.133 32 HD1 HIS 3 HD1 HIS 3 15.361 8.057 -9.398 33 HD2 HIS 3 HD2 HIS 3 14.084 7.312 -13.280 34 HE1 HIS 3 HE1 HIS 3 14.842 10.313 -10.379 35 HB2 HIS 3 1HB HIS 3 15.913 5.648 -10.324 36 HB3 HIS 3 2HB HIS 3 15.179 5.215 -11.865 37 H ASP 4 H ASP 4 15.660 5.121 -8.412 38 HA ASP 4 HA ASP 4 13.948 6.490 -6.441 39 HB2 ASP 4 1HB ASP 4 15.140 5.254 -4.672 40 HB3 ASP 4 2HB ASP 4 14.302 4.167 -5.776 41 H GLY 5 H GLY 5 15.660 7.154 -4.514 42 HA2 GLY 5 1HA GLY 5 17.666 8.291 -4.005 43 HA3 GLY 5 2HA GLY 5 18.003 8.420 -5.725 44 H LYS 6 H LYS 6 18.457 10.631 -5.558 45 HA LYS 6 HA LYS 6 18.021 12.868 -5.512 46 HB2 LYS 6 1HB LYS 6 15.539 11.644 -6.645 47 HB3 LYS 6 2HB LYS 6 15.553 13.369 -6.299 48 HG2 LYS 6 1HG LYS 6 16.210 13.333 -8.496 49 HG3 LYS 6 2HG LYS 6 17.769 13.345 -7.668 50 HD2 LYS 6 1HD LYS 6 17.654 10.790 -7.818 51 HD3 LYS 6 2HD LYS 6 16.362 11.045 -8.994 52 HE2 LYS 6 1HE LYS 6 18.368 10.811 -10.233 53 HE3 LYS 6 2HE LYS 6 17.960 12.526 -10.257 54 HZ1 LYS 6 3HZ LYS 6 19.912 12.988 -9.356 55 HZ2 LYS 6 1HZ LYS 6 20.331 11.349 -9.403 56 HZ3 LYS 6 2HZ LYS 6 19.588 11.992 -8.027 57 H GLU 7 H GLU 7 17.571 11.356 -3.042 58 HA GLU 7 HA GLU 7 15.318 12.697 -1.784 59 HB2 GLU 7 1HB GLU 7 15.869 10.291 -1.328 60 HB3 GLU 7 2HB GLU 7 17.336 10.834 -0.527 61 HG2 GLU 7 1HG GLU 7 16.139 11.865 1.207 62 HG3 GLU 7 2HG GLU 7 14.621 11.786 0.315 63 H GLU 8 H GLU 8 15.632 14.750 -1.216 64 HA GLU 8 HA GLU 8 18.264 15.637 -0.328 65 HB2 GLU 8 1HB GLU 8 15.788 16.980 -1.292 66 HB3 GLU 8 2HB GLU 8 16.834 17.882 -0.205 67 HG2 GLU 8 1HG GLU 8 18.555 17.983 -1.716 68 HG3 GLU 8 2HG GLU 8 18.031 16.536 -2.574 69 HA PRO 9 HA PRO 9 17.381 15.792 3.965 70 HB2 PRO 9 1HB PRO 9 18.548 18.124 4.721 71 HB3 PRO 9 2HB PRO 9 19.475 16.689 4.267 72 HG2 PRO 9 1HG PRO 9 18.816 19.112 2.637 73 HG3 PRO 9 2HG PRO 9 20.349 18.229 2.760 74 HD2 PRO 9 1HD PRO 9 18.642 17.900 0.684 75 HD3 PRO 9 2HD PRO 9 19.666 16.585 1.296 76 H GLY 10 H GLY 10 16.515 17.292 5.745 77 HA2 GLY 10 1HA GLY 10 15.053 18.993 6.449 78 HA3 GLY 10 2HA GLY 10 14.686 19.344 4.766 79 H ILE 11 H ILE 11 13.576 17.914 7.588 80 HA ILE 11 HA ILE 11 11.673 16.185 6.180 81 HB ILE 11 HB ILE 11 12.066 16.432 9.161 82 HG12 ILE 11 1HG1 ILE 11 13.159 14.047 8.582 83 HG13 ILE 11 2HG1 ILE 11 13.553 14.901 7.094 84 HG21 ILE 11 1HG2 ILE 11 10.642 14.435 7.416 85 HG22 ILE 11 2HG2 ILE 11 11.002 14.159 9.119 86 HG23 ILE 11 3HG2 ILE 11 9.945 15.488 8.646 87 HD11 ILE 11 3HD1 ILE 11 15.306 14.945 8.887 88 HD12 ILE 11 1HD1 ILE 11 14.822 16.518 8.253 89 HD13 ILE 11 2HD1 ILE 11 14.217 15.973 9.818 90 H ALA 12 H ALA 12 9.802 17.067 5.626 91 HA ALA 12 HA ALA 12 8.685 19.205 7.316 92 HB1 ALA 12 1HB ALA 12 8.449 18.645 4.378 93 HB2 ALA 12 2HB ALA 12 7.298 19.687 5.217 94 HB3 ALA 12 3HB ALA 12 9.010 20.109 5.186 95 H LYS 13 H LYS 13 6.983 18.696 8.512 96 HA LYS 13 HA LYS 13 5.040 16.753 7.502 97 HB2 LYS 13 1HB LYS 13 4.988 15.496 9.526 98 HB3 LYS 13 2HB LYS 13 6.674 15.605 9.038 99 HG2 LYS 13 1HG LYS 13 7.080 17.330 10.675 100 HG3 LYS 13 2HG LYS 13 5.370 17.355 11.113 101 HD2 LYS 13 1HD LYS 13 6.363 16.048 12.777 102 HD3 LYS 13 2HD LYS 13 5.680 14.865 11.660 103 HE2 LYS 13 1HE LYS 13 8.104 15.109 10.574 104 HE3 LYS 13 2HE LYS 13 8.510 15.535 12.235 105 HZ1 LYS 13 3HZ LYS 13 8.427 13.033 11.323 106 HZ2 LYS 13 1HZ LYS 13 6.850 13.179 11.920 107 HZ3 LYS 13 2HZ LYS 13 8.169 13.445 12.944 108 H LYS 14 H LYS 14 2.936 17.009 8.307 109 HA LYS 14 HA LYS 14 2.440 19.649 9.481 110 HB2 LYS 14 1HB LYS 14 0.849 17.791 7.762 111 HB3 LYS 14 2HB LYS 14 -0.004 18.935 8.791 112 HG2 LYS 14 1HG LYS 14 2.186 19.969 7.075 113 HG3 LYS 14 2HG LYS 14 0.662 19.519 6.307 114 HD2 LYS 14 1HD LYS 14 0.802 21.338 8.701 115 HD3 LYS 14 2HD LYS 14 0.889 21.937 7.043 116 HE2 LYS 14 1HE LYS 14 -1.368 20.302 8.199 117 HE3 LYS 14 2HE LYS 14 -1.391 22.049 7.964 118 HZ1 LYS 14 3HZ LYS 14 -0.765 21.284 5.521 119 HZ2 LYS 14 1HZ LYS 14 -2.369 21.424 6.041 120 HZ3 LYS 14 2HZ LYS 14 -1.622 19.907 6.001 121 H ILE 15 H ILE 15 2.069 19.750 11.587 122 HA ILE 15 HA ILE 15 0.860 17.418 12.921 123 HB ILE 15 HB ILE 15 1.865 18.317 15.017 124 HG12 ILE 15 1HG1 ILE 15 3.704 19.996 13.367 125 HG13 ILE 15 2HG1 ILE 15 2.130 20.656 13.798 126 HG21 ILE 15 1HG2 ILE 15 3.815 17.697 12.802 127 HG22 ILE 15 2HG2 ILE 15 4.135 17.558 14.530 128 HG23 ILE 15 3HG2 ILE 15 2.935 16.514 13.769 129 HD11 ILE 15 3HD1 ILE 15 4.344 20.914 15.300 130 HD12 ILE 15 1HD1 ILE 15 2.703 20.953 15.945 131 HD13 ILE 15 2HD1 ILE 15 3.643 19.462 16.013 132 H ASN 16 H ASN 16 -0.506 17.917 14.813 133 HA ASN 16 HA ASN 16 -2.031 20.402 14.388 134 HB2 ASN 16 1HB ASN 16 -4.015 19.205 15.174 135 HB3 ASN 16 2HB ASN 16 -3.302 18.377 13.793 136 HD21 ASN 16 2HD2 ASN 16 -1.941 16.519 14.243 137 HD22 ASN 16 1HD2 ASN 16 -2.295 15.533 15.617 138 H SER 17 H SER 17 -0.342 18.413 16.638 139 HA SER 17 HA SER 17 -1.322 19.981 18.913 140 HG SER 17 HG SER 17 -1.072 16.252 19.107 141 HB2 SER 17 1HB SER 17 0.608 17.702 19.186 142 HB3 SER 17 2HB SER 17 -0.629 18.257 20.313 143 H VAL 18 H VAL 18 0.035 21.182 20.220 144 HA VAL 18 HA VAL 18 2.447 22.142 18.937 145 HB VAL 18 HB VAL 18 2.506 23.841 20.656 146 HG11 VAL 18 1HG1 VAL 18 0.358 24.922 20.258 147 HG12 VAL 18 2HG1 VAL 18 0.963 24.168 18.782 148 HG13 VAL 18 3HG1 VAL 18 -0.323 23.392 19.707 149 HG21 VAL 18 3HG2 VAL 18 0.170 23.462 22.143 150 HG22 VAL 18 1HG2 VAL 18 0.983 21.897 22.136 151 HG23 VAL 18 2HG2 VAL 18 1.833 23.330 22.714 152 H ASP 19 H ASP 19 1.655 19.777 21.215 153 HA ASP 19 HA ASP 19 3.827 19.892 22.986 154 HB2 ASP 19 1HB ASP 19 2.130 17.586 22.032 155 HB3 ASP 19 2HB ASP 19 3.378 17.402 23.261 156 H ASP 20 H ASP 20 3.496 18.482 19.783 157 HA ASP 20 HA ASP 20 6.107 17.247 19.873 158 HB2 ASP 20 1HB ASP 20 3.921 17.450 17.832 159 HB3 ASP 20 2HB ASP 20 5.537 16.959 17.330 160 H ILE 21 H ILE 21 6.669 19.724 20.482 161 HA ILE 21 HA ILE 21 7.806 20.854 18.013 162 HB ILE 21 HB ILE 21 6.630 22.417 20.314 163 HG12 ILE 21 1HG1 ILE 21 5.825 22.339 17.400 164 HG13 ILE 21 2HG1 ILE 21 5.008 21.445 18.677 165 HG21 ILE 21 1HG2 ILE 21 7.229 24.143 18.209 166 HG22 ILE 21 2HG2 ILE 21 8.055 24.030 19.762 167 HG23 ILE 21 3HG2 ILE 21 8.650 23.112 18.379 168 HD11 ILE 21 3HD1 ILE 21 3.775 23.437 18.183 169 HD12 ILE 21 1HD1 ILE 21 4.493 23.590 19.787 170 HD13 ILE 21 2HD1 ILE 21 5.211 24.433 18.414 171 H ILE 22 H ILE 22 9.943 20.776 18.094 172 HA ILE 22 HA ILE 22 11.268 20.918 20.720 173 HB ILE 22 HB ILE 22 13.225 19.876 19.561 174 HG12 ILE 22 1HG1 ILE 22 11.261 19.271 17.348 175 HG13 ILE 22 2HG1 ILE 22 12.432 20.582 17.257 176 HG21 ILE 22 1HG2 ILE 22 12.461 17.962 20.389 177 HG22 ILE 22 2HG2 ILE 22 10.868 18.706 20.518 178 HG23 ILE 22 3HG2 ILE 22 11.303 17.800 19.068 179 HD11 ILE 22 3HD1 ILE 22 13.714 19.046 16.265 180 HD12 ILE 22 1HD1 ILE 22 14.033 18.500 17.911 181 HD13 ILE 22 2HD1 ILE 22 12.799 17.698 16.938 182 H ILE 23 H ILE 23 13.425 21.956 20.732 183 HA ILE 23 HA ILE 23 13.303 24.591 19.800 184 HB ILE 23 HB ILE 23 15.737 23.026 20.668 185 HG12 ILE 23 1HG1 ILE 23 15.105 24.740 22.702 186 HG13 ILE 23 2HG1 ILE 23 13.507 24.311 22.101 187 HG21 ILE 23 1HG2 ILE 23 15.289 25.944 20.143 188 HG22 ILE 23 2HG2 ILE 23 16.544 25.389 21.250 189 HG23 ILE 23 3HG2 ILE 23 16.581 24.898 19.557 190 HD11 ILE 23 3HD1 ILE 23 14.694 22.916 23.981 191 HD12 ILE 23 1HD1 ILE 23 13.699 22.137 22.751 192 HD13 ILE 23 2HD1 ILE 23 15.456 22.130 22.599 193 H LYS 24 H LYS 24 14.391 21.704 18.268 194 HA LYS 24 HA LYS 24 15.879 23.146 16.219 195 HB2 LYS 24 1HB LYS 24 15.335 20.188 16.533 196 HB3 LYS 24 2HB LYS 24 16.396 20.908 15.330 197 HG2 LYS 24 1HG LYS 24 16.776 20.960 18.316 198 HG3 LYS 24 2HG LYS 24 17.697 20.010 17.148 199 HD2 LYS 24 1HD LYS 24 17.585 23.025 17.256 200 HD3 LYS 24 2HD LYS 24 18.908 22.028 17.865 201 HE2 LYS 24 1HE LYS 24 19.784 22.394 15.823 202 HE3 LYS 24 2HE LYS 24 18.705 21.085 15.344 203 HZ1 LYS 24 3HZ LYS 24 17.384 22.478 14.209 204 HZ2 LYS 24 1HZ LYS 24 18.738 23.492 14.191 205 HZ3 LYS 24 2HZ LYS 24 17.520 23.728 15.341 206 H CYS 25 H CYS 25 12.739 22.720 16.784 207 HA CYS 25 HA CYS 25 11.953 21.981 14.074 208 HG CYS 25 HG CYS 25 10.197 20.542 13.579 209 HB2 CYS 25 1HB CYS 25 10.808 21.417 16.470 210 HB3 CYS 25 2HB CYS 25 9.882 22.837 15.999 211 H GLN 26 H GLN 26 10.317 23.325 12.955 212 HA GLN 26 HA GLN 26 10.463 26.175 13.607 213 HB2 GLN 26 1HB GLN 26 11.109 25.025 10.886 214 HB3 GLN 26 2HB GLN 26 10.959 26.738 11.257 215 HG2 GLN 26 1HG GLN 26 12.837 26.485 12.868 216 HG3 GLN 26 2HG GLN 26 13.034 24.828 12.302 217 HE21 GLN 26 2HE2 GLN 26 14.433 24.524 10.729 218 HE22 GLN 26 1HE2 GLN 26 15.001 25.724 9.624 219 H CYS 27 H CYS 27 8.542 27.129 13.451 220 HA CYS 27 HA CYS 27 6.529 25.991 11.641 221 HG CYS 27 HG CYS 27 6.085 28.330 14.979 222 HB2 CYS 27 1HB CYS 27 4.799 26.330 13.395 223 HB3 CYS 27 2HB CYS 27 5.990 25.109 13.827 224 H TRP 28 H TRP 28 4.616 27.516 11.416 225 HA TRP 28 HA TRP 28 5.674 30.193 10.957 226 HD1 TRP 28 HD1 TRP 28 4.947 27.048 8.849 227 HE1 TRP 28 HE1 TRP 28 6.226 27.279 6.628 228 HE3 TRP 28 HE3 TRP 28 4.537 32.102 8.199 229 HZ2 TRP 28 HZ2 TRP 28 6.965 29.332 4.837 230 HZ3 TRP 28 HZ3 TRP 28 5.559 33.121 6.206 231 HH2 TRP 28 HH2 TRP 28 6.747 31.763 4.561 232 HB2 TRP 28 1HB TRP 28 3.169 28.784 10.037 233 HB3 TRP 28 2HB TRP 28 3.458 30.496 9.743 234 H VAL 29 H VAL 29 5.049 31.980 12.031 235 HA VAL 29 HA VAL 29 3.019 31.640 14.139 236 HB VAL 29 HB VAL 29 5.273 33.649 14.074 237 HG11 VAL 29 1HG1 VAL 29 3.381 32.878 16.294 238 HG12 VAL 29 2HG1 VAL 29 4.681 34.067 16.395 239 HG13 VAL 29 3HG1 VAL 29 3.295 34.360 15.343 240 HG21 VAL 29 3HG2 VAL 29 6.392 32.284 15.713 241 HG22 VAL 29 1HG2 VAL 29 5.053 31.136 15.727 242 HG23 VAL 29 2HG2 VAL 29 6.057 31.303 14.286 243 H GLN 30 H GLN 30 1.429 33.175 14.410 244 HA GLN 30 HA GLN 30 0.855 34.795 12.080 245 HB2 GLN 30 1HB GLN 30 -0.658 33.597 14.227 246 HB3 GLN 30 2HB GLN 30 -1.076 35.297 14.056 247 HG2 GLN 30 1HG GLN 30 -2.484 34.635 12.473 248 HG3 GLN 30 2HG GLN 30 -1.059 34.415 11.460 249 HE21 GLN 30 2HE2 GLN 30 -3.422 32.989 11.108 250 HE22 GLN 30 1HE2 GLN 30 -3.123 31.323 11.456 251 H LYS 31 H LYS 31 1.577 36.798 11.887 252 HA LYS 31 HA LYS 31 1.543 38.566 14.213 253 HB2 LYS 31 1HB LYS 31 3.904 37.417 13.413 254 HB3 LYS 31 2HB LYS 31 3.920 38.939 12.530 255 HG2 LYS 31 1HG LYS 31 5.062 39.182 14.643 256 HG3 LYS 31 2HG LYS 31 3.587 40.151 14.636 257 HD2 LYS 31 1HD LYS 31 2.481 38.693 16.085 258 HD3 LYS 31 2HD LYS 31 3.603 37.370 15.758 259 HE2 LYS 31 1HE LYS 31 4.765 39.821 16.929 260 HE3 LYS 31 2HE LYS 31 3.697 38.887 17.975 261 HZ1 LYS 31 3HZ LYS 31 6.345 38.391 17.497 262 HZ2 LYS 31 1HZ LYS 31 5.540 37.217 16.582 263 HZ3 LYS 31 2HZ LYS 31 5.248 37.341 18.243 264 H ASN 32 H ASN 32 0.951 40.619 13.744 265 HA ASN 32 HA ASN 32 0.036 42.334 12.559 266 HB2 ASN 32 1HB ASN 32 2.320 41.507 10.775 267 HB3 ASN 32 2HB ASN 32 1.289 42.881 10.386 268 HD21 ASN 32 2HD2 ASN 32 1.892 44.777 11.135 269 HD22 ASN 32 1HD2 ASN 32 2.985 45.051 12.446 270 H ASP 33 H ASP 33 -1.533 40.184 12.375 271 HA ASP 33 HA ASP 33 -3.137 39.124 11.149 272 HB2 ASP 33 1HB ASP 33 -3.691 41.588 10.835 273 HB3 ASP 33 2HB ASP 33 -2.916 41.466 9.258 274 H GLU 34 H GLU 34 -0.312 38.604 10.477 275 HA GLU 34 HA GLU 34 -0.789 37.387 7.858 276 HB2 GLU 34 1HB GLU 34 1.455 39.241 8.577 277 HB3 GLU 34 2HB GLU 34 1.716 37.969 7.392 278 HG2 GLU 34 1HG GLU 34 0.056 38.857 5.946 279 HG3 GLU 34 2HG GLU 34 -0.498 39.988 7.179 280 H GLU 35 H GLU 35 1.264 35.930 7.355 281 HA GLU 35 HA GLU 35 1.938 34.480 9.831 282 HB2 GLU 35 1HB GLU 35 1.924 32.401 8.384 283 HB3 GLU 35 2HB GLU 35 0.353 33.114 8.720 284 HG2 GLU 35 1HG GLU 35 1.363 34.269 6.331 285 HG3 GLU 35 2HG GLU 35 1.522 32.517 6.218 286 H ARG 36 H ARG 36 4.042 34.347 10.206 287 HA ARG 36 HA ARG 36 5.893 34.409 7.917 288 HE ARG 36 HE ARG 36 4.606 39.213 8.520 289 HB2 ARG 36 1HB ARG 36 6.227 35.811 10.576 290 HB3 ARG 36 2HB ARG 36 7.466 35.707 9.333 291 HG2 ARG 36 1HG ARG 36 6.424 37.211 7.967 292 HG3 ARG 36 2HG ARG 36 4.818 36.832 8.593 293 HD2 ARG 36 1HD ARG 36 5.490 37.930 10.738 294 HD3 ARG 36 2HD ARG 36 6.975 38.446 9.941 295 HH11 ARG 36 1HH1 ARG 36 6.781 40.073 11.099 296 HH12 ARG 36 2HH1 ARG 36 6.410 41.764 11.023 297 HH21 ARG 36 1HH2 ARG 36 4.109 41.436 8.411 298 HH22 ARG 36 2HH2 ARG 36 4.889 42.538 9.495 299 H LEU 37 H LEU 37 7.731 33.137 8.069 300 HA LEU 37 HA LEU 37 7.518 30.787 9.616 301 HG LEU 37 HG LEU 37 9.817 29.478 9.608 302 HB2 LEU 37 1HB LEU 37 8.694 31.097 7.392 303 HB3 LEU 37 2HB LEU 37 10.028 31.798 8.305 304 HD11 LEU 37 1HD1 LEU 37 7.912 28.752 8.198 305 HD12 LEU 37 2HD1 LEU 37 9.297 27.663 8.123 306 HD13 LEU 37 3HD1 LEU 37 8.982 28.782 6.797 307 HD21 LEU 37 3HD2 LEU 37 11.837 29.078 8.719 308 HD22 LEU 37 1HD2 LEU 37 11.616 30.640 7.932 309 HD23 LEU 37 2HD2 LEU 37 11.236 29.154 7.062 310 H ALA 38 H ALA 38 8.378 30.198 11.529 311 HA ALA 38 HA ALA 38 10.355 31.951 12.798 312 HB1 ALA 38 1HB ALA 38 9.151 32.279 14.752 313 HB2 ALA 38 2HB ALA 38 7.916 32.443 13.503 314 HB3 ALA 38 3HB ALA 38 8.050 30.942 14.418 315 H GLU 39 H GLU 39 11.880 30.892 13.950 316 HA GLU 39 HA GLU 39 11.680 27.969 14.031 317 HB2 GLU 39 1HB GLU 39 13.647 28.724 12.906 318 HB3 GLU 39 2HB GLU 39 14.031 29.851 14.199 319 HG2 GLU 39 1HG GLU 39 14.681 28.125 15.655 320 HG3 GLU 39 2HG GLU 39 13.950 26.885 14.637 321 H ILE 40 H ILE 40 11.820 26.810 15.897 322 HA ILE 40 HA ILE 40 11.129 28.116 18.327 323 HB ILE 40 HB ILE 40 12.086 25.271 18.027 324 HG12 ILE 40 1HG1 ILE 40 10.258 25.778 16.432 325 HG13 ILE 40 2HG1 ILE 40 9.763 24.638 17.679 326 HG21 ILE 40 1HG2 ILE 40 11.974 25.999 20.318 327 HG22 ILE 40 2HG2 ILE 40 10.352 26.643 20.074 328 HG23 ILE 40 3HG2 ILE 40 10.630 24.904 19.998 329 HD11 ILE 40 3HD1 ILE 40 9.121 27.576 17.590 330 HD12 ILE 40 1HD1 ILE 40 8.014 26.244 17.256 331 HD13 ILE 40 2HD1 ILE 40 8.660 26.468 18.882 332 H LEU 41 H LEU 41 12.320 28.503 20.153 333 HA LEU 41 HA LEU 41 15.231 28.107 19.917 334 HG LEU 41 HG LEU 41 14.312 30.683 18.698 335 HB2 LEU 41 1HB LEU 41 13.643 30.399 21.026 336 HB3 LEU 41 2HB LEU 41 15.323 30.132 21.488 337 HD11 LEU 41 1HD1 LEU 41 14.198 32.680 19.975 338 HD12 LEU 41 2HD1 LEU 41 15.666 32.774 19.002 339 HD13 LEU 41 3HD1 LEU 41 15.769 32.374 20.717 340 HD21 LEU 41 3HD2 LEU 41 16.811 29.586 19.701 341 HD22 LEU 41 1HD2 LEU 41 17.043 31.055 18.753 342 HD23 LEU 41 2HD2 LEU 41 16.195 29.677 18.051 343 H SER 42 H SER 42 12.462 28.211 22.102 344 HA SER 42 HA SER 42 13.648 26.198 23.779 345 HG SER 42 HG SER 42 14.833 27.845 26.480 346 HB2 SER 42 1HB SER 42 14.262 28.808 24.455 347 HB3 SER 42 2HB SER 42 12.873 28.449 25.480 348 H ILE 43 H ILE 43 12.161 25.629 25.619 349 HA ILE 43 HA ILE 43 9.359 26.214 24.920 350 HB ILE 43 HB ILE 43 10.376 23.550 25.911 351 HG12 ILE 43 1HG1 ILE 43 9.484 24.303 23.119 352 HG13 ILE 43 2HG1 ILE 43 11.162 24.095 23.607 353 HG21 ILE 43 1HG2 ILE 43 8.083 22.827 25.120 354 HG22 ILE 43 2HG2 ILE 43 8.127 23.830 26.568 355 HG23 ILE 43 3HG2 ILE 43 7.682 24.541 25.017 356 HD11 ILE 43 3HD1 ILE 43 10.423 21.738 24.332 357 HD12 ILE 43 1HD1 ILE 43 9.017 22.039 23.312 358 HD13 ILE 43 2HD1 ILE 43 10.636 22.076 22.615 359 H ASN 44 H ASN 44 7.963 26.587 26.581 360 HA ASN 44 HA ASN 44 8.898 26.172 29.324 361 HB2 ASN 44 1HB ASN 44 9.461 28.510 28.646 362 HB3 ASN 44 2HB ASN 44 7.746 28.800 28.367 363 HD21 ASN 44 2HD2 ASN 44 9.149 30.349 30.115 364 HD22 ASN 44 1HD2 ASN 44 8.632 30.025 31.731 365 H THR 45 H THR 45 7.391 24.632 29.776 366 HA THR 45 HA THR 45 4.567 25.259 29.289 367 HB THR 45 HB THR 45 4.146 22.878 29.866 368 HG1 THR 45 HG1 THR 45 5.843 22.279 31.123 369 HG21 THR 45 3HG2 THR 45 5.851 22.113 27.853 370 HG22 THR 45 1HG2 THR 45 5.682 23.846 27.576 371 HG23 THR 45 2HG2 THR 45 4.251 22.817 27.625 372 H ARG 46 H ARG 46 5.199 26.885 31.160 373 HA ARG 46 HA ARG 46 4.855 25.608 33.773 374 HE ARG 46 HE ARG 46 7.339 30.635 34.891 375 HB2 ARG 46 1HB ARG 46 5.674 27.580 34.751 376 HB3 ARG 46 2HB ARG 46 6.653 27.370 33.305 377 HG2 ARG 46 1HG ARG 46 4.815 28.919 32.237 378 HG3 ARG 46 2HG ARG 46 4.580 29.408 33.917 379 HD2 ARG 46 1HD ARG 46 7.383 29.278 33.065 380 HD3 ARG 46 2HD ARG 46 6.417 30.483 32.214 381 HH11 ARG 46 1HH1 ARG 46 4.630 31.440 32.858 382 HH12 ARG 46 2HH1 ARG 46 4.123 32.775 33.839 383 HH21 ARG 46 1HH2 ARG 46 6.681 32.389 36.191 384 HH22 ARG 46 2HH2 ARG 46 5.291 33.314 35.735 385 H LYS 47 H LYS 47 3.098 27.257 31.377 386 HA LYS 47 HA LYS 47 0.895 27.734 33.277 387 HB2 LYS 47 1HB LYS 47 2.137 29.659 31.802 388 HB3 LYS 47 2HB LYS 47 0.826 29.203 30.722 389 HG2 LYS 47 1HG LYS 47 -0.788 30.014 32.107 390 HG3 LYS 47 2HG LYS 47 0.159 29.718 33.567 391 HD2 LYS 47 1HD LYS 47 1.703 31.579 32.699 392 HD3 LYS 47 2HD LYS 47 0.375 31.985 31.609 393 HE2 LYS 47 1HE LYS 47 0.039 33.368 33.462 394 HE3 LYS 47 2HE LYS 47 -1.085 32.033 33.712 395 HZ1 LYS 47 3HZ LYS 47 1.054 32.891 35.357 396 HZ2 LYS 47 1HZ LYS 47 1.284 31.276 34.911 397 HZ3 LYS 47 2HZ LYS 47 -0.146 31.745 35.683 398 H ALA 48 H ALA 48 -1.223 28.049 31.738 399 HA ALA 48 HA ALA 48 -1.303 25.855 29.799 400 HB1 ALA 48 1HB ALA 48 -3.646 25.375 30.964 401 HB2 ALA 48 2HB ALA 48 -2.155 24.587 31.480 402 HB3 ALA 48 3HB ALA 48 -2.770 25.979 32.371 403 HA PRO 49 HA PRO 49 -1.786 25.464 27.991 404 HB2 PRO 49 1HB PRO 49 -1.175 26.607 25.605 405 HB3 PRO 49 2HB PRO 49 -2.730 25.832 25.929 406 HG2 PRO 49 1HG PRO 49 -2.017 28.739 25.975 407 HG3 PRO 49 2HG PRO 49 -3.456 27.950 25.303 408 HD2 PRO 49 1HD PRO 49 -3.466 29.192 27.709 409 HD3 PRO 49 2HD PRO 49 -4.476 27.774 27.362 410 HA PRO 50 HA PRO 50 2.371 26.697 28.726 411 HB2 PRO 50 1HB PRO 50 3.754 25.262 26.883 412 HB3 PRO 50 2HB PRO 50 2.997 24.527 28.301 413 HG2 PRO 50 1HG PRO 50 2.007 24.656 25.479 414 HG3 PRO 50 2HG PRO 50 1.979 23.293 26.613 415 HD2 PRO 50 1HD PRO 50 -0.196 24.833 26.130 416 HD3 PRO 50 2HD PRO 50 0.111 24.083 27.710 417 H LYS 51 H LYS 51 4.368 27.602 27.690 418 HA LYS 51 HA LYS 51 3.656 29.282 25.374 419 HB2 LYS 51 1HB LYS 51 5.283 29.906 27.830 420 HB3 LYS 51 2HB LYS 51 5.423 30.865 26.362 421 HG2 LYS 51 1HG LYS 51 3.039 31.394 26.481 422 HG3 LYS 51 2HG LYS 51 2.905 30.438 27.959 423 HD2 LYS 51 1HD LYS 51 4.317 31.936 29.153 424 HD3 LYS 51 2HD LYS 51 4.780 32.778 27.672 425 HE2 LYS 51 1HE LYS 51 3.207 34.176 28.731 426 HE3 LYS 51 2HE LYS 51 2.332 33.385 27.420 427 HZ1 LYS 51 3HZ LYS 51 2.305 32.285 30.161 428 HZ2 LYS 51 1HZ LYS 51 1.214 32.004 28.899 429 HZ3 LYS 51 2HZ LYS 51 1.221 33.497 29.693 430 H PHE 52 H PHE 52 5.336 29.794 23.885 431 HA PHE 52 HA PHE 52 7.724 28.093 24.044 432 HD1 PHE 52 HD2 PHE 52 4.013 27.668 22.894 433 HD2 PHE 52 HD1 PHE 52 7.504 25.276 22.437 434 HE1 PHE 52 HE2 PHE 52 2.727 25.674 23.544 435 HE2 PHE 52 HE1 PHE 52 6.224 23.278 23.086 436 HZ PHE 52 HZ PHE 52 3.832 23.475 23.641 437 HB2 PHE 52 1HB PHE 52 6.006 28.422 21.575 438 HB3 PHE 52 2HB PHE 52 7.501 27.498 21.680 439 H TYR 53 H TYR 53 9.556 28.881 22.963 440 HA TYR 53 HA TYR 53 9.462 31.766 22.456 441 HD1 TYR 53 HD1 TYR 53 10.101 33.194 23.836 442 HD2 TYR 53 HD2 TYR 53 13.856 31.637 22.582 443 HE1 TYR 53 HE1 TYR 53 11.084 35.442 24.009 444 HE2 TYR 53 HE2 TYR 53 14.850 33.880 22.752 445 HH TYR 53 HH TYR 53 13.682 36.288 24.411 446 HB2 TYR 53 1HB TYR 53 11.114 30.520 24.094 447 HB3 TYR 53 2HB TYR 53 12.024 30.230 22.615 448 H VAL 54 H VAL 54 9.229 32.339 20.405 449 HA VAL 54 HA VAL 54 10.458 30.667 18.315 450 HB VAL 54 HB VAL 54 8.876 31.907 16.765 451 HG11 VAL 54 1HG1 VAL 54 7.228 30.310 17.036 452 HG12 VAL 54 2HG1 VAL 54 8.595 29.568 17.870 453 HG13 VAL 54 3HG1 VAL 54 7.321 30.362 18.796 454 HG21 VAL 54 3HG2 VAL 54 7.597 32.678 19.387 455 HG22 VAL 54 1HG2 VAL 54 8.360 33.778 18.238 456 HG23 VAL 54 2HG2 VAL 54 6.890 32.913 17.788 457 H HIS 55 H HIS 55 11.407 31.752 16.478 458 HA HIS 55 HA HIS 55 12.215 34.531 16.948 459 HD1 HIS 55 HD1 HIS 55 14.105 35.901 15.928 460 HD2 HIS 55 HD2 HIS 55 16.358 32.482 15.227 461 HE1 HIS 55 HE1 HIS 55 15.993 36.634 14.437 462 HB2 HIS 55 1HB HIS 55 14.123 33.461 17.774 463 HB3 HIS 55 2HB HIS 55 14.026 32.163 16.587 464 H TYR 56 H TYR 56 11.811 35.711 15.207 465 HA TYR 56 HA TYR 56 11.025 34.538 12.737 466 HD1 TYR 56 HD2 TYR 56 8.822 35.561 11.830 467 HD2 TYR 56 HD1 TYR 56 10.018 37.836 15.220 468 HE1 TYR 56 HE2 TYR 56 6.490 35.610 12.612 469 HE2 TYR 56 HE1 TYR 56 7.690 37.891 16.012 470 HH TYR 56 HH TYR 56 5.405 35.918 15.141 471 HB2 TYR 56 1HB TYR 56 11.574 37.393 13.552 472 HB3 TYR 56 2HB TYR 56 11.021 36.945 11.942 473 H VAL 57 H VAL 57 12.455 33.569 11.453 474 HA VAL 57 HA VAL 57 15.215 34.059 11.394 475 HB VAL 57 HB VAL 57 13.576 32.891 9.143 476 HG11 VAL 57 1HG1 VAL 57 16.451 33.116 9.730 477 HG12 VAL 57 2HG1 VAL 57 15.908 31.528 9.184 478 HG13 VAL 57 3HG1 VAL 57 15.615 32.953 8.186 479 HG21 VAL 57 3HG2 VAL 57 14.603 30.764 10.504 480 HG22 VAL 57 1HG2 VAL 57 14.193 31.868 11.817 481 HG23 VAL 57 2HG2 VAL 57 12.953 31.366 10.668 482 H ASN 58 H ASN 58 12.570 35.375 9.478 483 HA ASN 58 HA ASN 58 14.154 36.676 7.534 484 HB2 ASN 58 1HB ASN 58 11.396 37.448 8.511 485 HB3 ASN 58 2HB ASN 58 12.137 37.930 6.988 486 HD21 ASN 58 2HD2 ASN 58 10.131 35.738 8.482 487 HD22 ASN 58 1HD2 ASN 58 10.095 34.525 7.252 488 H TYR 59 H TYR 59 13.393 37.425 10.807 489 HA TYR 59 HA TYR 59 14.492 40.137 10.473 490 HD1 TYR 59 HD2 TYR 59 10.843 38.809 10.820 491 HD2 TYR 59 HD1 TYR 59 12.861 42.493 11.501 492 HE1 TYR 59 HE2 TYR 59 9.096 39.993 9.557 493 HE2 TYR 59 HE1 TYR 59 11.118 43.687 10.241 494 HH TYR 59 HH TYR 59 9.405 43.352 8.698 495 HB2 TYR 59 1HB TYR 59 12.588 38.989 12.508 496 HB3 TYR 59 2HB TYR 59 13.432 40.510 12.776 497 H ASN 60 H ASN 60 15.354 40.812 12.872 498 HA ASN 60 HA ASN 60 17.687 39.149 13.227 499 HB2 ASN 60 1HB ASN 60 16.846 41.695 14.633 500 HB3 ASN 60 2HB ASN 60 18.417 40.914 14.796 501 HD21 ASN 60 2HD2 ASN 60 16.645 43.201 13.142 502 HD22 ASN 60 1HD2 ASN 60 17.720 43.460 11.814 503 H LYS 61 H LYS 61 18.432 38.846 15.604 504 HA LYS 61 HA LYS 61 16.625 37.052 16.834 505 HB2 LYS 61 1HB LYS 61 19.178 37.038 16.940 506 HB3 LYS 61 2HB LYS 61 19.029 38.284 18.172 507 HG2 LYS 61 1HG LYS 61 19.249 36.283 19.357 508 HG3 LYS 61 2HG LYS 61 17.524 36.654 19.416 509 HD2 LYS 61 1HD LYS 61 17.459 34.429 18.852 510 HD3 LYS 61 2HD LYS 61 17.459 35.168 17.249 511 HE2 LYS 61 1HE LYS 61 20.074 34.523 18.513 512 HE3 LYS 61 2HE LYS 61 19.107 33.198 17.868 513 HZ1 LYS 61 3HZ LYS 61 20.014 33.701 15.918 514 HZ2 LYS 61 1HZ LYS 61 20.637 35.171 16.478 515 HZ3 LYS 61 2HZ LYS 61 19.048 35.089 15.905 516 H ARG 62 H ARG 62 16.851 40.414 16.950 517 HA ARG 62 HA ARG 62 15.888 40.754 19.645 518 HE ARG 62 HE ARG 62 17.162 44.911 18.175 519 HB2 ARG 62 1HB ARG 62 15.776 43.120 19.104 520 HB3 ARG 62 2HB ARG 62 17.310 42.452 18.561 521 HG2 ARG 62 1HG ARG 62 15.744 42.161 16.342 522 HG3 ARG 62 2HG ARG 62 15.144 43.670 17.033 523 HD2 ARG 62 1HD ARG 62 17.976 43.002 16.254 524 HD3 ARG 62 2HD ARG 62 16.914 44.201 15.516 525 HH11 ARG 62 1HH1 ARG 62 19.263 44.514 15.427 526 HH12 ARG 62 2HH1 ARG 62 20.398 45.710 15.958 527 HH21 ARG 62 1HH2 ARG 62 18.649 46.488 18.884 528 HH22 ARG 62 2HH2 ARG 62 20.049 46.832 17.925 529 H LEU 63 H LEU 63 14.454 39.590 16.961 530 HA LEU 63 HA LEU 63 11.878 40.911 17.403 531 HG LEU 63 HG LEU 63 11.383 40.779 13.810 532 HB2 LEU 63 1HB LEU 63 13.208 39.769 15.133 533 HB3 LEU 63 2HB LEU 63 11.651 38.979 15.372 534 HD11 LEU 63 1HD1 LEU 63 10.282 41.743 16.439 535 HD12 LEU 63 2HD1 LEU 63 9.626 40.362 15.560 536 HD13 LEU 63 3HD1 LEU 63 9.601 41.966 14.827 537 HD21 LEU 63 3HD2 LEU 63 12.113 42.875 15.776 538 HD22 LEU 63 1HD2 LEU 63 12.231 42.877 14.017 539 HD23 LEU 63 2HD2 LEU 63 13.429 42.011 14.980 540 H ASP 64 H ASP 64 13.557 37.966 17.990 541 HA ASP 64 HA ASP 64 11.487 36.121 18.173 542 HB2 ASP 64 1HB ASP 64 12.942 34.799 19.529 543 HB3 ASP 64 2HB ASP 64 13.960 35.658 18.376 544 H GLU 65 H GLU 65 10.440 35.235 20.089 545 HA GLU 65 HA GLU 65 10.334 36.585 22.555 546 HB2 GLU 65 1HB GLU 65 8.120 37.629 22.394 547 HB3 GLU 65 2HB GLU 65 9.259 38.362 21.274 548 HG2 GLU 65 1HG GLU 65 8.066 37.770 19.486 549 HG3 GLU 65 2HG GLU 65 7.741 36.157 20.118 550 H TRP 66 H TRP 66 7.935 36.042 23.556 551 HA TRP 66 HA TRP 66 7.733 33.135 23.233 552 HD1 TRP 66 HD1 TRP 66 9.127 36.077 25.704 553 HE1 TRP 66 HE1 TRP 66 11.265 35.223 26.855 554 HE3 TRP 66 HE3 TRP 66 7.987 31.099 25.941 555 HZ2 TRP 66 HZ2 TRP 66 12.328 32.764 27.745 556 HZ3 TRP 66 HZ3 TRP 66 9.619 29.563 26.957 557 HH2 TRP 66 HH2 TRP 66 11.744 30.380 27.839 558 HB2 TRP 66 1HB TRP 66 6.672 34.900 25.451 559 HB3 TRP 66 2HB TRP 66 6.650 33.138 25.426 560 H ILE 67 H ILE 67 5.940 32.162 22.491 561 HA ILE 67 HA ILE 67 3.502 33.779 22.176 562 HB ILE 67 HB ILE 67 3.088 32.719 19.992 563 HG12 ILE 67 1HG1 ILE 67 5.949 31.769 20.065 564 HG13 ILE 67 2HG1 ILE 67 4.607 30.730 20.533 565 HG21 ILE 67 1HG2 ILE 67 4.083 34.918 20.040 566 HG22 ILE 67 2HG2 ILE 67 5.693 34.220 20.214 567 HG23 ILE 67 3HG2 ILE 67 4.787 33.984 18.719 568 HD11 ILE 67 3HD1 ILE 67 5.124 31.957 17.840 569 HD12 ILE 67 1HD1 ILE 67 5.149 30.248 18.276 570 HD13 ILE 67 2HD1 ILE 67 3.624 31.135 18.272 571 H THR 68 H THR 68 1.533 32.585 22.104 572 HA THR 68 HA THR 68 1.718 30.035 23.537 573 HB THR 68 HB THR 68 -0.879 30.503 23.697 574 HG1 THR 68 HG1 THR 68 -1.442 32.559 23.378 575 HG21 THR 68 3HG2 THR 68 0.504 30.360 25.645 576 HG22 THR 68 1HG2 THR 68 -0.436 31.847 25.770 577 HG23 THR 68 2HG2 THR 68 1.260 31.913 25.290 578 H THR 69 H THR 69 -0.294 28.573 23.030 579 HA THR 69 HA THR 69 0.059 27.468 20.509 580 HB THR 69 HB THR 69 -1.848 26.082 20.938 581 HG1 THR 69 HG1 THR 69 -2.555 27.884 23.031 582 HG21 THR 69 3HG2 THR 69 -1.337 25.206 23.119 583 HG22 THR 69 1HG2 THR 69 -0.616 26.737 23.615 584 HG23 THR 69 2HG2 THR 69 0.165 25.755 22.375 585 H ASP 70 H ASP 70 -2.397 29.754 21.637 586 HA ASP 70 HA ASP 70 -3.901 29.800 19.241 587 HB2 ASP 70 1HB ASP 70 -3.661 32.002 21.300 588 HB3 ASP 70 2HB ASP 70 -4.976 31.769 20.150 589 H ARG 71 H ARG 71 -0.841 31.017 19.989 590 HA ARG 71 HA ARG 71 -0.972 33.092 17.923 591 HE ARG 71 HE ARG 71 0.235 36.690 22.079 592 HB2 ARG 71 1HB ARG 71 1.098 32.454 20.026 593 HB3 ARG 71 2HB ARG 71 1.345 33.654 18.765 594 HG2 ARG 71 1HG ARG 71 -0.931 34.602 19.683 595 HG3 ARG 71 2HG ARG 71 -0.440 33.732 21.137 596 HD2 ARG 71 1HD ARG 71 1.551 34.988 21.332 597 HD3 ARG 71 2HD ARG 71 1.386 35.640 19.702 598 HH11 ARG 71 1HH1 ARG 71 -0.338 36.263 18.672 599 HH12 ARG 71 2HH1 ARG 71 -1.390 37.634 18.544 600 HH21 ARG 71 1HH2 ARG 71 -1.148 38.497 21.924 601 HH22 ARG 71 2HH2 ARG 71 -1.849 38.905 20.395 602 H ILE 72 H ILE 72 -0.391 29.882 18.076 603 HA ILE 72 HA ILE 72 1.823 29.903 16.155 604 HB ILE 72 HB ILE 72 0.541 27.583 17.603 605 HG12 ILE 72 1HG1 ILE 72 3.347 28.582 17.996 606 HG13 ILE 72 2HG1 ILE 72 2.008 29.327 18.862 607 HG21 ILE 72 1HG2 ILE 72 1.367 26.504 15.784 608 HG22 ILE 72 2HG2 ILE 72 2.566 27.753 15.449 609 HG23 ILE 72 3HG2 ILE 72 2.850 26.581 16.735 610 HD11 ILE 72 3HD1 ILE 72 1.534 26.727 19.378 611 HD12 ILE 72 1HD1 ILE 72 3.292 26.718 19.246 612 HD13 ILE 72 2HD1 ILE 72 2.501 27.783 20.408 613 H ASN 73 H ASN 73 1.649 29.042 14.107 614 HA ASN 73 HA ASN 73 -1.093 28.752 13.114 615 HB2 ASN 73 1HB ASN 73 0.764 30.350 12.132 616 HB3 ASN 73 2HB ASN 73 1.281 28.887 11.299 617 HD21 ASN 73 2HD2 ASN 73 0.448 31.042 9.873 618 HD22 ASN 73 1HD2 ASN 73 -1.075 30.707 9.129 619 H LEU 74 H LEU 74 -1.745 26.690 13.271 620 HA LEU 74 HA LEU 74 0.114 24.529 12.631 621 HG LEU 74 HG LEU 74 -0.591 25.021 15.329 622 HB2 LEU 74 1HB LEU 74 -2.633 24.584 13.853 623 HB3 LEU 74 2HB LEU 74 -1.827 23.087 13.389 624 HD11 LEU 74 1HD1 LEU 74 -2.759 23.037 15.760 625 HD12 LEU 74 2HD1 LEU 74 -2.460 24.582 16.557 626 HD13 LEU 74 3HD1 LEU 74 -1.492 23.169 16.980 627 HD21 LEU 74 3HD2 LEU 74 0.807 23.268 14.242 628 HD22 LEU 74 1HD2 LEU 74 -0.236 22.049 14.977 629 HD23 LEU 74 2HD2 LEU 74 0.714 23.129 15.998 630 H ASP 75 H ASP 75 -1.153 26.395 10.636 631 HA ASP 75 HA ASP 75 -2.732 24.493 9.060 632 HB2 ASP 75 1HB ASP 75 -2.512 27.450 9.161 633 HB3 ASP 75 2HB ASP 75 -2.808 26.738 7.578 634 H LYS 76 H LYS 76 0.347 26.054 9.197 635 HA LYS 76 HA LYS 76 1.003 25.202 6.470 636 HB2 LYS 76 1HB LYS 76 2.162 27.183 8.380 637 HB3 LYS 76 2HB LYS 76 3.222 26.463 7.174 638 HG2 LYS 76 1HG LYS 76 2.543 28.256 5.983 639 HG3 LYS 76 2HG LYS 76 1.213 27.170 5.575 640 HD2 LYS 76 1HD LYS 76 -0.269 28.242 6.993 641 HD3 LYS 76 2HD LYS 76 1.018 28.920 7.991 642 HE2 LYS 76 1HE LYS 76 0.417 30.796 6.848 643 HE3 LYS 76 2HE LYS 76 1.614 30.155 5.724 644 HZ1 LYS 76 3HZ LYS 76 0.066 29.917 4.174 645 HZ2 LYS 76 1HZ LYS 76 -1.014 30.749 5.175 646 HZ3 LYS 76 2HZ LYS 76 -0.956 29.059 5.213 647 H GLU 77 H GLU 77 2.633 23.754 6.022 648 HA GLU 77 HA GLU 77 3.069 21.637 7.742 649 HB2 GLU 77 1HB GLU 77 5.004 22.514 5.598 650 HB3 GLU 77 2HB GLU 77 4.767 20.887 6.218 651 HG2 GLU 77 1HG GLU 77 2.376 21.098 5.344 652 HG3 GLU 77 2HG GLU 77 2.966 22.495 4.445 653 H VAL 78 H VAL 78 4.790 20.983 9.049 654 HA VAL 78 HA VAL 78 6.352 23.204 10.157 655 HB VAL 78 HB VAL 78 5.949 20.445 11.318 656 HG11 VAL 78 1HG1 VAL 78 7.945 21.520 12.149 657 HG12 VAL 78 2HG1 VAL 78 7.043 22.997 12.496 658 HG13 VAL 78 3HG1 VAL 78 6.710 21.523 13.408 659 HG21 VAL 78 3HG2 VAL 78 4.459 21.808 12.934 660 HG22 VAL 78 1HG2 VAL 78 4.389 22.983 11.620 661 HG23 VAL 78 2HG2 VAL 78 3.805 21.338 11.365 662 H LEU 79 H LEU 79 8.583 23.048 10.488 663 HA LEU 79 HA LEU 79 9.918 21.090 8.749 664 HG LEU 79 HG LEU 79 11.742 23.861 7.265 665 HB2 LEU 79 1HB LEU 79 10.236 23.906 9.171 666 HB3 LEU 79 2HB LEU 79 11.738 23.076 9.572 667 HD11 LEU 79 1HD1 LEU 79 12.919 21.770 7.903 668 HD12 LEU 79 2HD1 LEU 79 12.431 21.821 6.210 669 HD13 LEU 79 3HD1 LEU 79 11.508 20.858 7.364 670 HD21 LEU 79 3HD2 LEU 79 9.085 23.241 7.248 671 HD22 LEU 79 1HD2 LEU 79 9.774 21.920 6.305 672 HD23 LEU 79 2HD2 LEU 79 10.054 23.591 5.817 673 H TYR 80 H TYR 80 11.362 19.674 9.545 674 HA TYR 80 HA TYR 80 12.042 19.894 12.405 675 HD1 TYR 80 HD1 TYR 80 8.932 18.369 11.127 676 HD2 TYR 80 HD2 TYR 80 11.537 17.444 14.362 677 HE1 TYR 80 HE1 TYR 80 7.007 18.324 12.656 678 HE2 TYR 80 HE2 TYR 80 9.618 17.396 15.900 679 HH TYR 80 HH TYR 80 6.433 18.412 14.897 680 HB2 TYR 80 1HB TYR 80 11.225 17.547 10.741 681 HB3 TYR 80 2HB TYR 80 12.316 17.291 12.099 682 HA PRO 81 HA PRO 81 16.316 19.718 11.429 683 HB2 PRO 81 1HB PRO 81 17.302 18.171 13.430 684 HB3 PRO 81 2HB PRO 81 16.734 19.826 13.686 685 HG2 PRO 81 1HG PRO 81 15.322 17.238 14.204 686 HG3 PRO 81 2HG PRO 81 15.390 18.696 15.210 687 HD2 PRO 81 1HD PRO 81 13.264 18.107 13.641 688 HD3 PRO 81 2HD PRO 81 13.770 19.775 13.976 689 H LYS 82 H LYS 82 17.635 18.585 10.122 690 HA LYS 82 HA LYS 82 16.991 15.752 9.665 691 HB2 LYS 82 1HB LYS 82 18.243 16.138 7.481 692 HB3 LYS 82 2HB LYS 82 16.687 16.940 7.649 693 HG2 LYS 82 1HG LYS 82 19.113 18.445 8.454 694 HG3 LYS 82 2HG LYS 82 18.822 18.195 6.732 695 HD2 LYS 82 1HD LYS 82 16.973 19.522 6.713 696 HD3 LYS 82 2HD LYS 82 16.530 19.114 8.372 697 HE2 LYS 82 1HE LYS 82 17.223 21.242 8.737 698 HE3 LYS 82 2HE LYS 82 18.791 20.445 8.859 699 HZ1 LYS 82 3HZ LYS 82 18.526 20.932 6.201 700 HZ2 LYS 82 1HZ LYS 82 19.428 21.864 7.287 701 HZ3 LYS 82 2HZ LYS 82 17.843 22.312 6.902 702 H LEU 83 H LEU 83 18.599 14.201 9.621 703 HA LEU 83 HA LEU 83 21.149 15.029 10.826 704 HG LEU 83 HG LEU 83 21.335 13.841 13.043 705 HB2 LEU 83 1HB LEU 83 19.448 12.615 11.036 706 HB3 LEU 83 2HB LEU 83 21.192 12.371 11.108 707 HD11 LEU 83 1HD1 LEU 83 19.142 14.515 14.129 708 HD12 LEU 83 2HD1 LEU 83 18.389 14.187 12.568 709 HD13 LEU 83 3HD1 LEU 83 19.635 15.427 12.702 710 HD21 LEU 83 3HD2 LEU 83 20.353 12.388 14.639 711 HD22 LEU 83 1HD2 LEU 83 20.812 11.387 13.261 712 HD23 LEU 83 2HD2 LEU 83 19.125 11.847 13.494 713 H LYS 84 H LYS 84 23.021 14.744 9.777 714 HA LYS 84 HA LYS 84 22.940 13.295 7.212 715 HB2 LYS 84 1HB LYS 84 24.552 14.803 6.338 716 HB3 LYS 84 2HB LYS 84 23.337 15.792 7.136 717 HG2 LYS 84 1HG LYS 84 24.939 15.679 9.169 718 HG3 LYS 84 2HG LYS 84 26.145 15.210 7.969 719 HD2 LYS 84 1HD LYS 84 25.460 17.270 6.669 720 HD3 LYS 84 2HD LYS 84 24.550 17.760 8.100 721 HE2 LYS 84 1HE LYS 84 26.458 18.088 9.360 722 HE3 LYS 84 2HE LYS 84 27.427 17.002 8.366 723 HZ1 LYS 84 3HZ LYS 84 26.809 18.902 6.600 724 HZ2 LYS 84 1HZ LYS 84 28.214 18.920 7.542 725 HZ3 LYS 84 2HZ LYS 84 26.866 19.824 8.017 726 H ALA 85 H ALA 85 24.955 12.252 6.550 727 HA ALA 85 HA ALA 85 26.013 10.620 8.612 728 HB1 ALA 85 1HB ALA 85 25.744 9.938 6.227 729 HB2 ALA 85 2HB ALA 85 27.122 10.967 5.832 730 HB3 ALA 85 3HB ALA 85 27.333 9.586 6.908 731 H THR 86 H THR 86 27.968 10.640 9.642 732 HA THR 86 HA THR 86 29.833 12.821 9.027 733 HB THR 86 HB THR 86 29.000 12.145 11.851 734 HG1 THR 86 HG1 THR 86 28.215 14.313 10.173 735 HG21 THR 86 3HG2 THR 86 31.015 13.915 10.620 736 HG22 THR 86 1HG2 THR 86 31.005 13.137 12.202 737 HG23 THR 86 2HG2 THR 86 30.081 14.616 11.940 738 H ASP 87 H ASP 87 31.852 12.109 8.857 739 HA ASP 87 HA ASP 87 32.621 9.679 10.330 740 HB2 ASP 87 1HB ASP 87 33.201 10.379 7.451 741 HB3 ASP 87 2HB ASP 87 34.095 9.143 8.333 742 H GLU 88 H GLU 88 34.349 9.936 11.579 743 HA GLU 88 HA GLU 88 36.256 12.080 10.917 744 HB2 GLU 88 1HB GLU 88 34.875 11.481 13.496 745 HB3 GLU 88 2HB GLU 88 36.520 12.098 13.549 746 HG2 GLU 88 1HG GLU 88 35.671 13.962 12.018 747 HG3 GLU 88 2HG GLU 88 34.058 13.421 12.478 748 H ASP 89 H ASP 89 35.846 9.220 13.008 749 HA ASP 89 HA ASP 89 38.573 8.402 12.256 750 HB2 ASP 89 1HB ASP 89 38.278 9.328 14.645 751 HB3 ASP 89 2HB ASP 89 37.407 7.833 14.972 Start of MODEL 11 1 H1 GLY -2 H GLY -2 14.431 -12.641 -0.871 2 HA2 GLY -2 1HA GLY -2 13.949 -10.296 -1.757 3 HA3 GLY -2 2HA GLY -2 13.296 -10.016 -0.149 4 H SER -1 H SER -1 15.643 -8.899 -1.729 5 HA SER -1 HA SER -1 17.470 -8.833 0.516 6 HG SER -1 HG SER -1 17.758 -9.445 -2.914 7 HB2 SER -1 1HB SER -1 19.423 -9.310 -1.123 8 HB3 SER -1 2HB SER -1 18.504 -10.678 -0.496 9 H HIS 0 H HIS 0 17.925 -6.763 0.798 10 HA HIS 0 HA HIS 0 17.439 -4.800 -1.208 11 HD1 HIS 0 HD1 HIS 0 16.384 -2.402 -0.517 12 HD2 HIS 0 HD2 HIS 0 16.088 -4.807 2.858 13 HE1 HIS 0 HE1 HIS 0 14.094 -1.961 0.425 14 HB2 HIS 0 1HB HIS 0 18.480 -4.771 1.593 15 HB3 HIS 0 2HB HIS 0 18.725 -3.347 0.587 16 H MET 1 H MET 1 19.150 -3.098 -1.703 17 HA MET 1 HA MET 1 21.781 -4.346 -2.115 18 HB2 MET 1 1HB MET 1 20.196 -2.773 -4.153 19 HB3 MET 1 2HB MET 1 21.871 -3.268 -4.356 20 HG2 MET 1 1HG MET 1 19.577 -5.170 -3.949 21 HG3 MET 1 2HG MET 1 20.234 -4.716 -5.520 22 HE1 MET 1 3HE MET 1 23.176 -6.898 -6.045 23 HE2 MET 1 1HE MET 1 21.622 -6.372 -6.692 24 HE3 MET 1 2HE MET 1 22.819 -5.177 -6.194 25 H SER 2 H SER 2 23.331 -2.523 -3.024 26 HA SER 2 HA SER 2 23.427 -0.524 -0.962 27 HG SER 2 HG SER 2 25.841 -2.106 -3.531 28 HB2 SER 2 1HB SER 2 25.524 0.194 -2.238 29 HB3 SER 2 2HB SER 2 25.527 -1.441 -1.575 30 H HIS 3 H HIS 3 21.451 0.603 -1.500 31 HA HIS 3 HA HIS 3 21.671 2.333 -3.870 32 HD1 HIS 3 HD1 HIS 3 20.355 3.642 -5.214 33 HD2 HIS 3 HD2 HIS 3 17.026 3.090 -2.790 34 HE1 HIS 3 HE1 HIS 3 18.707 5.404 -5.923 35 HB2 HIS 3 1HB HIS 3 19.634 0.987 -3.814 36 HB3 HIS 3 2HB HIS 3 19.243 1.611 -2.214 37 H ASP 4 H ASP 4 22.525 4.248 -3.413 38 HA ASP 4 HA ASP 4 21.898 5.495 -0.822 39 HB2 ASP 4 1HB ASP 4 24.295 5.591 -2.607 40 HB3 ASP 4 2HB ASP 4 23.936 6.987 -1.594 41 H GLY 5 H GLY 5 20.355 6.982 -0.934 42 HA2 GLY 5 1HA GLY 5 19.641 8.238 -3.425 43 HA3 GLY 5 2HA GLY 5 18.890 8.517 -1.861 44 H LYS 6 H LYS 6 20.347 10.099 -4.218 45 HA LYS 6 HA LYS 6 22.078 11.767 -2.557 46 HB2 LYS 6 1HB LYS 6 21.599 11.578 -5.523 47 HB3 LYS 6 2HB LYS 6 22.472 12.932 -4.818 48 HG2 LYS 6 1HG LYS 6 23.303 10.116 -4.244 49 HG3 LYS 6 2HG LYS 6 23.803 10.928 -5.730 50 HD2 LYS 6 1HD LYS 6 24.751 12.760 -4.360 51 HD3 LYS 6 2HD LYS 6 24.327 11.854 -2.905 52 HE2 LYS 6 1HE LYS 6 25.941 10.257 -3.267 53 HE3 LYS 6 2HE LYS 6 25.960 10.519 -5.011 54 HZ1 LYS 6 3HZ LYS 6 27.857 11.405 -3.387 55 HZ2 LYS 6 1HZ LYS 6 26.835 12.753 -3.368 56 HZ3 LYS 6 2HZ LYS 6 27.452 12.180 -4.835 57 H GLU 7 H GLU 7 20.228 12.556 -1.308 58 HA GLU 7 HA GLU 7 18.992 14.860 -2.646 59 HB2 GLU 7 1HB GLU 7 17.503 12.695 -2.183 60 HB3 GLU 7 2HB GLU 7 17.390 13.426 -0.588 61 HG2 GLU 7 1HG GLU 7 16.363 15.367 -1.438 62 HG3 GLU 7 2HG GLU 7 16.767 14.943 -3.100 63 H GLU 8 H GLU 8 18.524 16.635 -1.294 64 HA GLU 8 HA GLU 8 20.324 16.894 0.931 65 HB2 GLU 8 1HB GLU 8 18.545 18.698 -0.616 66 HB3 GLU 8 2HB GLU 8 18.918 19.180 1.032 67 HG2 GLU 8 1HG GLU 8 21.277 19.153 0.559 68 HG3 GLU 8 2HG GLU 8 20.978 18.521 -1.059 69 HA PRO 9 HA PRO 9 17.655 16.078 4.314 70 HB2 PRO 9 1HB PRO 9 18.362 18.000 6.096 71 HB3 PRO 9 2HB PRO 9 19.402 16.626 5.702 72 HG2 PRO 9 1HG PRO 9 19.507 19.436 4.677 73 HG3 PRO 9 2HG PRO 9 20.837 18.381 5.188 74 HD2 PRO 9 1HD PRO 9 20.209 18.776 2.584 75 HD3 PRO 9 2HD PRO 9 20.871 17.242 3.185 76 H GLY 10 H GLY 10 16.318 17.490 6.080 77 HA2 GLY 10 1HA GLY 10 14.896 19.438 6.335 78 HA3 GLY 10 2HA GLY 10 14.788 19.520 4.583 79 H ILE 11 H ILE 11 13.286 18.476 7.398 80 HA ILE 11 HA ILE 11 11.547 16.621 5.913 81 HB ILE 11 HB ILE 11 11.921 16.889 8.899 82 HG12 ILE 11 1HG1 ILE 11 12.554 14.349 7.554 83 HG13 ILE 11 2HG1 ILE 11 13.610 15.686 7.112 84 HG21 ILE 11 1HG2 ILE 11 9.892 15.962 9.001 85 HG22 ILE 11 2HG2 ILE 11 9.879 15.600 7.276 86 HG23 ILE 11 3HG2 ILE 11 10.663 14.493 8.403 87 HD11 ILE 11 3HD1 ILE 11 13.113 15.389 9.988 88 HD12 ILE 11 1HD1 ILE 11 14.002 14.069 9.229 89 HD13 ILE 11 2HD1 ILE 11 14.610 15.721 9.116 90 H ALA 12 H ALA 12 9.432 17.058 5.661 91 HA ALA 12 HA ALA 12 8.331 19.394 7.081 92 HB1 ALA 12 1HB ALA 12 8.114 18.675 4.174 93 HB2 ALA 12 2HB ALA 12 6.958 19.751 4.960 94 HB3 ALA 12 3HB ALA 12 8.666 20.185 4.900 95 H LYS 13 H LYS 13 6.729 18.796 8.370 96 HA LYS 13 HA LYS 13 4.768 16.848 7.404 97 HB2 LYS 13 1HB LYS 13 4.818 15.539 9.382 98 HB3 LYS 13 2HB LYS 13 6.492 15.715 8.873 99 HG2 LYS 13 1HG LYS 13 6.851 17.433 10.542 100 HG3 LYS 13 2HG LYS 13 5.154 17.348 11.021 101 HD2 LYS 13 1HD LYS 13 6.244 16.045 12.620 102 HD3 LYS 13 2HD LYS 13 5.622 14.858 11.471 103 HE2 LYS 13 1HE LYS 13 7.685 14.258 10.776 104 HE3 LYS 13 2HE LYS 13 8.316 15.900 10.893 105 HZ1 LYS 13 3HZ LYS 13 9.203 14.155 12.508 106 HZ2 LYS 13 1HZ LYS 13 7.726 14.319 13.316 107 HZ3 LYS 13 2HZ LYS 13 8.750 15.654 13.147 108 H LYS 14 H LYS 14 2.693 17.093 8.257 109 HA LYS 14 HA LYS 14 2.224 19.695 9.522 110 HB2 LYS 14 1HB LYS 14 0.625 17.907 7.752 111 HB3 LYS 14 2HB LYS 14 -0.244 18.944 8.876 112 HG2 LYS 14 1HG LYS 14 1.164 20.851 7.904 113 HG3 LYS 14 2HG LYS 14 1.539 19.723 6.599 114 HD2 LYS 14 1HD LYS 14 -1.313 19.986 7.330 115 HD3 LYS 14 2HD LYS 14 -0.570 21.388 6.557 116 HE2 LYS 14 1HE LYS 14 -1.520 20.009 4.848 117 HE3 LYS 14 2HE LYS 14 0.235 19.875 4.748 118 HZ1 LYS 14 3HZ LYS 14 -1.495 17.795 4.853 119 HZ2 LYS 14 1HZ LYS 14 -0.963 17.901 6.456 120 HZ3 LYS 14 2HZ LYS 14 0.158 17.709 5.204 121 H ILE 15 H ILE 15 1.754 19.795 11.610 122 HA ILE 15 HA ILE 15 0.704 17.379 12.931 123 HB ILE 15 HB ILE 15 1.677 18.214 15.012 124 HG12 ILE 15 1HG1 ILE 15 2.923 20.403 13.340 125 HG13 ILE 15 2HG1 ILE 15 1.526 20.640 14.383 126 HG21 ILE 15 1HG2 ILE 15 4.122 18.423 13.548 127 HG22 ILE 15 2HG2 ILE 15 3.498 17.064 14.482 128 HG23 ILE 15 3HG2 ILE 15 3.079 17.228 12.777 129 HD11 ILE 15 3HD1 ILE 15 2.861 20.994 16.103 130 HD12 ILE 15 1HD1 ILE 15 3.579 19.397 15.901 131 HD13 ILE 15 2HD1 ILE 15 4.260 20.784 15.051 132 H ASN 16 H ASN 16 -0.417 18.063 15.112 133 HA ASN 16 HA ASN 16 -2.106 20.421 14.699 134 HB2 ASN 16 1HB ASN 16 -3.291 17.763 15.496 135 HB3 ASN 16 2HB ASN 16 -4.140 19.231 15.022 136 HD21 ASN 16 2HD2 ASN 16 -4.007 19.901 12.810 137 HD22 ASN 16 1HD2 ASN 16 -3.755 18.728 11.566 138 H SER 17 H SER 17 0.077 19.265 16.581 139 HA SER 17 HA SER 17 -1.212 20.221 19.031 140 HG SER 17 HG SER 17 -1.062 16.468 18.919 141 HB2 SER 17 1HB SER 17 0.618 17.857 19.224 142 HB3 SER 17 2HB SER 17 -0.655 18.378 20.328 143 H VAL 18 H VAL 18 0.004 21.658 20.075 144 HA VAL 18 HA VAL 18 2.550 22.428 19.057 145 HB VAL 18 HB VAL 18 2.585 24.096 20.804 146 HG11 VAL 18 1HG1 VAL 18 0.445 25.224 20.363 147 HG12 VAL 18 2HG1 VAL 18 1.156 24.550 18.894 148 HG13 VAL 18 3HG1 VAL 18 -0.191 23.726 19.682 149 HG21 VAL 18 3HG2 VAL 18 0.207 23.809 22.207 150 HG22 VAL 18 1HG2 VAL 18 0.892 22.184 22.166 151 HG23 VAL 18 2HG2 VAL 18 1.834 23.523 22.823 152 H ASP 19 H ASP 19 1.535 20.159 21.404 153 HA ASP 19 HA ASP 19 3.715 20.164 23.167 154 HB2 ASP 19 1HB ASP 19 1.571 18.936 23.527 155 HB3 ASP 19 2HB ASP 19 2.080 17.768 22.310 156 H ASP 20 H ASP 20 3.248 18.616 20.040 157 HA ASP 20 HA ASP 20 5.765 17.204 20.183 158 HB2 ASP 20 1HB ASP 20 3.565 17.436 18.165 159 HB3 ASP 20 2HB ASP 20 5.139 16.831 17.655 160 H ILE 21 H ILE 21 6.513 19.663 20.643 161 HA ILE 21 HA ILE 21 7.692 20.570 18.103 162 HB ILE 21 HB ILE 21 6.672 22.334 20.332 163 HG12 ILE 21 1HG1 ILE 21 5.816 22.106 17.439 164 HG13 ILE 21 2HG1 ILE 21 4.933 21.442 18.809 165 HG21 ILE 21 1HG2 ILE 21 8.729 23.243 19.478 166 HG22 ILE 21 2HG2 ILE 21 8.178 23.031 17.817 167 HG23 ILE 21 3HG2 ILE 21 7.381 24.203 18.867 168 HD11 ILE 21 3HD1 ILE 21 4.636 23.712 19.690 169 HD12 ILE 21 1HD1 ILE 21 5.470 24.353 18.275 170 HD13 ILE 21 2HD1 ILE 21 3.931 23.511 18.086 171 H ILE 22 H ILE 22 9.828 21.102 18.144 172 HA ILE 22 HA ILE 22 11.202 20.915 20.745 173 HB ILE 22 HB ILE 22 13.159 19.973 19.442 174 HG12 ILE 22 1HG1 ILE 22 11.019 19.400 17.383 175 HG13 ILE 22 2HG1 ILE 22 12.264 20.631 17.202 176 HG21 ILE 22 1HG2 ILE 22 10.887 18.730 20.547 177 HG22 ILE 22 2HG2 ILE 22 11.307 17.825 19.094 178 HG23 ILE 22 3HG2 ILE 22 12.508 18.062 20.362 179 HD11 ILE 22 3HD1 ILE 22 13.982 18.983 17.157 180 HD12 ILE 22 1HD1 ILE 22 12.844 17.707 17.590 181 HD13 ILE 22 2HD1 ILE 22 12.728 18.497 16.017 182 H ILE 23 H ILE 23 13.609 21.718 20.378 183 HA ILE 23 HA ILE 23 13.392 24.485 19.698 184 HB ILE 23 HB ILE 23 15.835 22.860 20.414 185 HG12 ILE 23 1HG1 ILE 23 15.403 24.372 22.571 186 HG13 ILE 23 2HG1 ILE 23 13.743 24.274 21.995 187 HG21 ILE 23 1HG2 ILE 23 16.560 25.298 21.104 188 HG22 ILE 23 2HG2 ILE 23 16.788 24.705 19.459 189 HG23 ILE 23 3HG2 ILE 23 15.416 25.747 19.838 190 HD11 ILE 23 3HD1 ILE 23 13.639 21.982 22.311 191 HD12 ILE 23 1HD1 ILE 23 15.394 21.805 22.328 192 HD13 ILE 23 2HD1 ILE 23 14.569 22.545 23.700 193 H LYS 24 H LYS 24 14.325 21.646 18.007 194 HA LYS 24 HA LYS 24 15.752 23.149 15.948 195 HB2 LYS 24 1HB LYS 24 15.229 20.178 16.149 196 HB3 LYS 24 2HB LYS 24 16.292 20.968 14.993 197 HG2 LYS 24 1HG LYS 24 16.662 20.883 17.980 198 HG3 LYS 24 2HG LYS 24 17.571 19.957 16.783 199 HD2 LYS 24 1HD LYS 24 17.506 22.969 16.975 200 HD3 LYS 24 2HD LYS 24 18.805 21.937 17.579 201 HE2 LYS 24 1HE LYS 24 18.866 21.032 15.147 202 HE3 LYS 24 2HE LYS 24 17.998 22.516 14.754 203 HZ1 LYS 24 3HZ LYS 24 19.849 23.706 14.948 204 HZ2 LYS 24 1HZ LYS 24 20.703 22.245 14.973 205 HZ3 LYS 24 2HZ LYS 24 20.267 22.995 16.425 206 H CYS 25 H CYS 25 12.644 22.695 16.638 207 HA CYS 25 HA CYS 25 11.720 21.969 13.977 208 HG CYS 25 HG CYS 25 9.828 20.801 13.458 209 HB2 CYS 25 1HB CYS 25 10.670 21.540 16.467 210 HB3 CYS 25 2HB CYS 25 9.736 22.929 15.925 211 H GLN 26 H GLN 26 10.217 23.328 12.799 212 HA GLN 26 HA GLN 26 10.364 26.184 13.431 213 HB2 GLN 26 1HB GLN 26 10.915 25.126 10.659 214 HB3 GLN 26 2HB GLN 26 11.049 26.788 11.217 215 HG2 GLN 26 1HG GLN 26 12.922 26.181 12.638 216 HG3 GLN 26 2HG GLN 26 12.773 24.498 12.135 217 HE21 GLN 26 2HE2 GLN 26 13.014 27.711 10.642 218 HE22 GLN 26 1HE2 GLN 26 14.159 27.250 9.433 219 H CYS 27 H CYS 27 8.464 27.172 13.200 220 HA CYS 27 HA CYS 27 6.466 26.001 11.393 221 HG CYS 27 HG CYS 27 6.155 28.621 14.294 222 HB2 CYS 27 1HB CYS 27 4.724 26.205 13.027 223 HB3 CYS 27 2HB CYS 27 6.045 25.313 13.771 224 H TRP 28 H TRP 28 4.407 27.713 11.723 225 HA TRP 28 HA TRP 28 5.578 30.302 10.949 226 HD1 TRP 28 HD1 TRP 28 4.736 27.135 8.828 227 HE1 TRP 28 HE1 TRP 28 6.050 27.333 6.624 228 HE3 TRP 28 HE3 TRP 28 4.572 32.211 8.240 229 HZ2 TRP 28 HZ2 TRP 28 6.904 29.372 4.868 230 HZ3 TRP 28 HZ3 TRP 28 5.663 33.206 6.271 231 HH2 TRP 28 HH2 TRP 28 6.805 31.814 4.622 232 HB2 TRP 28 1HB TRP 28 3.057 28.911 10.046 233 HB3 TRP 28 2HB TRP 28 3.362 30.618 9.733 234 H VAL 29 H VAL 29 4.764 32.190 11.796 235 HA VAL 29 HA VAL 29 2.764 31.898 13.944 236 HB VAL 29 HB VAL 29 5.091 33.823 13.957 237 HG11 VAL 29 1HG1 VAL 29 2.670 33.591 15.518 238 HG12 VAL 29 2HG1 VAL 29 4.108 33.464 16.533 239 HG13 VAL 29 3HG1 VAL 29 3.879 34.875 15.499 240 HG21 VAL 29 3HG2 VAL 29 5.844 31.494 14.177 241 HG22 VAL 29 1HG2 VAL 29 6.078 32.407 15.668 242 HG23 VAL 29 2HG2 VAL 29 4.734 31.272 15.530 243 H GLN 30 H GLN 30 1.249 33.523 14.177 244 HA GLN 30 HA GLN 30 0.807 35.140 11.817 245 HB2 GLN 30 1HB GLN 30 -0.974 33.822 13.136 246 HB3 GLN 30 2HB GLN 30 -0.910 35.151 14.286 247 HG2 GLN 30 1HG GLN 30 -2.679 35.721 12.914 248 HG3 GLN 30 2HG GLN 30 -1.340 36.657 12.250 249 HE21 GLN 30 2HE2 GLN 30 -3.373 36.366 10.625 250 HE22 GLN 30 1HE2 GLN 30 -3.064 35.195 9.393 251 H LYS 31 H LYS 31 1.653 37.096 11.625 252 HA LYS 31 HA LYS 31 1.629 38.898 13.925 253 HB2 LYS 31 1HB LYS 31 3.950 37.614 13.251 254 HB3 LYS 31 2HB LYS 31 4.084 39.099 12.318 255 HG2 LYS 31 1HG LYS 31 5.160 39.361 14.461 256 HG3 LYS 31 2HG LYS 31 3.739 40.403 14.369 257 HD2 LYS 31 1HD LYS 31 2.576 39.184 15.918 258 HD3 LYS 31 2HD LYS 31 3.410 37.680 15.520 259 HE2 LYS 31 1HE LYS 31 5.458 38.621 16.590 260 HE3 LYS 31 2HE LYS 31 4.494 40.004 17.107 261 HZ1 LYS 31 3HZ LYS 31 4.829 37.687 18.491 262 HZ2 LYS 31 1HZ LYS 31 3.293 37.501 17.805 263 HZ3 LYS 31 2HZ LYS 31 3.628 38.844 18.777 264 H ASN 32 H ASN 32 1.163 40.971 13.407 265 HA ASN 32 HA ASN 32 0.361 42.701 12.161 266 HB2 ASN 32 1HB ASN 32 2.892 42.589 11.595 267 HB3 ASN 32 2HB ASN 32 2.357 41.966 10.037 268 HD21 ASN 32 2HD2 ASN 32 3.778 44.330 10.315 269 HD22 ASN 32 1HD2 ASN 32 2.760 45.651 9.862 270 H ASP 33 H ASP 33 -1.281 40.622 11.899 271 HA ASP 33 HA ASP 33 -2.854 39.618 10.590 272 HB2 ASP 33 1HB ASP 33 -2.368 42.014 8.807 273 HB3 ASP 33 2HB ASP 33 -3.806 40.997 8.819 274 H GLU 34 H GLU 34 -0.014 38.973 10.097 275 HA GLU 34 HA GLU 34 -0.387 37.731 7.473 276 HB2 GLU 34 1HB GLU 34 1.932 39.453 8.306 277 HB3 GLU 34 2HB GLU 34 2.124 38.205 7.084 278 HG2 GLU 34 1HG GLU 34 0.324 39.272 5.769 279 HG3 GLU 34 2HG GLU 34 0.261 40.564 6.966 280 H GLU 35 H GLU 35 1.703 36.229 7.128 281 HA GLU 35 HA GLU 35 2.158 34.788 9.656 282 HB2 GLU 35 1HB GLU 35 2.045 32.669 8.385 283 HB3 GLU 35 2HB GLU 35 0.521 33.545 8.376 284 HG2 GLU 35 1HG GLU 35 1.790 34.470 6.117 285 HG3 GLU 35 2HG GLU 35 2.241 32.766 6.171 286 H ARG 36 H ARG 36 4.234 34.580 10.140 287 HA ARG 36 HA ARG 36 6.200 34.621 7.944 288 HE ARG 36 HE ARG 36 6.569 39.183 7.282 289 HB2 ARG 36 1HB ARG 36 6.761 35.631 10.726 290 HB3 ARG 36 2HB ARG 36 7.693 35.901 9.259 291 HG2 ARG 36 1HG ARG 36 5.284 36.987 8.593 292 HG3 ARG 36 2HG ARG 36 5.387 37.348 10.317 293 HD2 ARG 36 1HD ARG 36 7.176 38.732 10.060 294 HD3 ARG 36 2HD ARG 36 7.805 37.840 8.676 295 HH11 ARG 36 1HH1 ARG 36 5.518 39.635 10.570 296 HH12 ARG 36 2HH1 ARG 36 4.520 41.002 10.201 297 HH21 ARG 36 1HH2 ARG 36 5.258 40.982 6.783 298 HH22 ARG 36 2HH2 ARG 36 4.372 41.767 8.047 299 H LEU 37 H LEU 37 7.965 33.245 8.095 300 HA LEU 37 HA LEU 37 7.530 30.837 9.563 301 HG LEU 37 HG LEU 37 9.735 29.345 9.438 302 HB2 LEU 37 1HB LEU 37 8.607 31.049 7.289 303 HB3 LEU 37 2HB LEU 37 10.043 31.645 8.118 304 HD11 LEU 37 1HD1 LEU 37 9.119 27.598 7.757 305 HD12 LEU 37 2HD1 LEU 37 8.477 28.888 6.741 306 HD13 LEU 37 3HD1 LEU 37 7.771 28.582 8.327 307 HD21 LEU 37 3HD2 LEU 37 11.655 28.777 8.419 308 HD22 LEU 37 1HD2 LEU 37 11.521 30.369 7.672 309 HD23 LEU 37 2HD2 LEU 37 10.967 28.938 6.803 310 H ALA 38 H ALA 38 7.906 30.671 11.668 311 HA ALA 38 HA ALA 38 10.223 32.093 12.804 312 HB1 ALA 38 1HB ALA 38 9.072 32.468 14.746 313 HB2 ALA 38 2HB ALA 38 7.745 32.506 13.585 314 HB3 ALA 38 3HB ALA 38 8.041 31.053 14.540 315 H GLU 39 H GLU 39 11.757 30.980 13.901 316 HA GLU 39 HA GLU 39 11.520 28.057 13.882 317 HB2 GLU 39 1HB GLU 39 13.462 28.814 12.719 318 HB3 GLU 39 2HB GLU 39 13.902 29.902 14.028 319 HG2 GLU 39 1HG GLU 39 14.546 28.114 15.428 320 HG3 GLU 39 2HG GLU 39 13.810 26.920 14.360 321 H ILE 40 H ILE 40 11.608 26.855 15.705 322 HA ILE 40 HA ILE 40 11.061 28.100 18.195 323 HB ILE 40 HB ILE 40 11.900 25.234 17.766 324 HG12 ILE 40 1HG1 ILE 40 10.030 25.867 16.268 325 HG13 ILE 40 2HG1 ILE 40 9.542 24.702 17.493 326 HG21 ILE 40 1HG2 ILE 40 11.916 25.795 20.076 327 HG22 ILE 40 2HG2 ILE 40 10.376 26.642 19.945 328 HG23 ILE 40 3HG2 ILE 40 10.435 24.888 19.775 329 HD11 ILE 40 3HD1 ILE 40 8.104 26.126 18.457 330 HD12 ILE 40 1HD1 ILE 40 9.150 27.523 18.209 331 HD13 ILE 40 2HD1 ILE 40 8.156 26.919 16.883 332 H LEU 41 H LEU 41 12.318 28.376 19.999 333 HA LEU 41 HA LEU 41 15.202 27.862 19.673 334 HG LEU 41 HG LEU 41 14.287 30.526 18.523 335 HB2 LEU 41 1HB LEU 41 13.774 30.215 20.876 336 HB3 LEU 41 2HB LEU 41 15.467 29.867 21.221 337 HD11 LEU 41 1HD1 LEU 41 15.742 32.528 18.731 338 HD12 LEU 41 2HD1 LEU 41 16.066 32.068 20.402 339 HD13 LEU 41 3HD1 LEU 41 14.425 32.479 19.904 340 HD21 LEU 41 3HD2 LEU 41 16.937 30.711 18.174 341 HD22 LEU 41 1HD2 LEU 41 16.017 29.245 17.831 342 HD23 LEU 41 2HD2 LEU 41 16.889 29.402 19.356 343 H SER 42 H SER 42 12.443 27.906 21.830 344 HA SER 42 HA SER 42 13.610 25.900 23.499 345 HG SER 42 HG SER 42 15.412 26.912 25.178 346 HB2 SER 42 1HB SER 42 14.307 28.475 24.203 347 HB3 SER 42 2HB SER 42 12.910 28.156 25.230 348 H ILE 43 H ILE 43 12.117 25.604 25.530 349 HA ILE 43 HA ILE 43 9.333 26.218 24.839 350 HB ILE 43 HB ILE 43 10.267 23.464 25.652 351 HG12 ILE 43 1HG1 ILE 43 9.224 24.378 22.965 352 HG13 ILE 43 2HG1 ILE 43 10.928 24.132 23.329 353 HG21 ILE 43 1HG2 ILE 43 8.075 23.796 26.461 354 HG22 ILE 43 2HG2 ILE 43 7.572 24.614 24.982 355 HG23 ILE 43 3HG2 ILE 43 7.900 22.881 24.963 356 HD11 ILE 43 3HD1 ILE 43 10.308 21.756 23.935 357 HD12 ILE 43 1HD1 ILE 43 8.743 22.085 23.193 358 HD13 ILE 43 2HD1 ILE 43 10.216 22.190 22.229 359 H ASN 44 H ASN 44 7.926 26.382 26.576 360 HA ASN 44 HA ASN 44 9.022 25.954 29.259 361 HB2 ASN 44 1HB ASN 44 9.433 28.304 28.795 362 HB3 ASN 44 2HB ASN 44 7.760 28.529 28.296 363 HD21 ASN 44 2HD2 ASN 44 7.208 30.024 29.801 364 HD22 ASN 44 1HD2 ASN 44 7.138 29.700 31.497 365 H THR 45 H THR 45 7.667 24.370 29.888 366 HA THR 45 HA THR 45 4.789 24.694 29.432 367 HB THR 45 HB THR 45 4.603 22.336 30.168 368 HG1 THR 45 HG1 THR 45 6.363 21.214 30.784 369 HG21 THR 45 3HG2 THR 45 5.031 21.590 28.085 370 HG22 THR 45 1HG2 THR 45 6.715 22.111 28.137 371 HG23 THR 45 2HG2 THR 45 5.444 23.272 27.754 372 H ARG 46 H ARG 46 5.134 26.499 31.138 373 HA ARG 46 HA ARG 46 4.727 25.330 33.813 374 HE ARG 46 HE ARG 46 8.754 25.294 35.833 375 HB2 ARG 46 1HB ARG 46 6.200 27.774 32.924 376 HB3 ARG 46 2HB ARG 46 5.420 27.783 34.501 377 HG2 ARG 46 1HG ARG 46 7.244 25.543 33.731 378 HG3 ARG 46 2HG ARG 46 7.896 27.077 34.311 379 HD2 ARG 46 1HD ARG 46 6.534 26.865 36.347 380 HD3 ARG 46 2HD ARG 46 5.931 25.313 35.768 381 HH11 ARG 46 1HH1 ARG 46 5.977 25.214 37.931 382 HH12 ARG 46 2HH1 ARG 46 6.789 24.341 39.188 383 HH21 ARG 46 1HH2 ARG 46 9.834 24.144 37.480 384 HH22 ARG 46 2HH2 ARG 46 8.983 23.733 38.931 385 H LYS 47 H LYS 47 3.007 26.400 31.381 386 HA LYS 47 HA LYS 47 0.981 27.605 33.117 387 HB2 LYS 47 1HB LYS 47 2.449 29.228 31.543 388 HB3 LYS 47 2HB LYS 47 1.196 28.766 30.399 389 HG2 LYS 47 1HG LYS 47 -0.461 29.828 31.569 390 HG3 LYS 47 2HG LYS 47 0.388 29.688 33.110 391 HD2 LYS 47 1HD LYS 47 2.106 31.298 32.050 392 HD3 LYS 47 2HD LYS 47 0.831 31.642 30.879 393 HE2 LYS 47 1HE LYS 47 0.677 31.980 33.872 394 HE3 LYS 47 2HE LYS 47 0.764 33.267 32.670 395 HZ1 LYS 47 3HZ LYS 47 -1.489 33.045 33.326 396 HZ2 LYS 47 1HZ LYS 47 -1.470 31.367 33.112 397 HZ3 LYS 47 2HZ LYS 47 -1.373 32.392 31.770 398 H ALA 48 H ALA 48 -1.126 27.894 31.698 399 HA ALA 48 HA ALA 48 -1.432 25.638 29.854 400 HB1 ALA 48 1HB ALA 48 -2.199 24.535 31.722 401 HB2 ALA 48 2HB ALA 48 -2.863 26.000 32.447 402 HB3 ALA 48 3HB ALA 48 -3.692 25.233 31.093 403 HA PRO 49 HA PRO 49 -1.741 25.426 28.009 404 HB2 PRO 49 1HB PRO 49 -1.065 26.688 25.702 405 HB3 PRO 49 2HB PRO 49 -2.619 25.879 25.934 406 HG2 PRO 49 1HG PRO 49 -1.949 28.789 26.142 407 HG3 PRO 49 2HG PRO 49 -3.353 28.016 25.383 408 HD2 PRO 49 1HD PRO 49 -3.463 29.142 27.843 409 HD3 PRO 49 2HD PRO 49 -4.441 27.730 27.395 410 HA PRO 50 HA PRO 50 2.360 26.683 28.977 411 HB2 PRO 50 1HB PRO 50 3.835 25.295 27.169 412 HB3 PRO 50 2HB PRO 50 3.022 24.527 28.538 413 HG2 PRO 50 1HG PRO 50 2.157 24.704 25.678 414 HG3 PRO 50 2HG PRO 50 2.090 23.319 26.784 415 HD2 PRO 50 1HD PRO 50 -0.074 24.851 26.235 416 HD3 PRO 50 2HD PRO 50 0.169 24.072 27.812 417 H LYS 51 H LYS 51 4.519 27.347 27.782 418 HA LYS 51 HA LYS 51 3.822 29.220 25.617 419 HB2 LYS 51 1HB LYS 51 5.573 29.657 28.032 420 HB3 LYS 51 2HB LYS 51 5.662 30.686 26.609 421 HG2 LYS 51 1HG LYS 51 3.261 31.214 26.894 422 HG3 LYS 51 2HG LYS 51 3.268 30.273 28.387 423 HD2 LYS 51 1HD LYS 51 4.640 31.796 29.486 424 HD3 LYS 51 2HD LYS 51 5.234 32.496 27.979 425 HE2 LYS 51 1HE LYS 51 2.902 33.350 27.584 426 HE3 LYS 51 2HE LYS 51 2.513 32.837 29.225 427 HZ1 LYS 51 3HZ LYS 51 4.877 34.502 28.935 428 HZ2 LYS 51 1HZ LYS 51 3.672 34.526 30.123 429 HZ3 LYS 51 2HZ LYS 51 3.398 35.264 28.626 430 H PHE 52 H PHE 52 5.532 29.741 24.140 431 HA PHE 52 HA PHE 52 7.825 27.914 24.168 432 HD1 PHE 52 HD2 PHE 52 4.087 27.647 23.169 433 HD2 PHE 52 HD1 PHE 52 7.458 25.152 22.444 434 HE1 PHE 52 HE2 PHE 52 2.760 25.676 23.807 435 HE2 PHE 52 HE1 PHE 52 6.136 23.176 23.080 436 HZ PHE 52 HZ PHE 52 3.785 23.437 23.764 437 HB2 PHE 52 1HB PHE 52 6.046 28.372 21.763 438 HB3 PHE 52 2HB PHE 52 7.513 27.398 21.791 439 H TYR 53 H TYR 53 9.639 28.632 22.968 440 HA TYR 53 HA TYR 53 9.679 31.540 22.606 441 HD1 TYR 53 HD2 TYR 53 10.413 32.850 23.940 442 HD2 TYR 53 HD1 TYR 53 14.086 31.185 22.584 443 HE1 TYR 53 HE2 TYR 53 11.501 35.039 24.217 444 HE2 TYR 53 HE1 TYR 53 15.185 33.368 22.858 445 HH TYR 53 HH TYR 53 14.839 35.572 23.208 446 HB2 TYR 53 1HB TYR 53 11.363 30.092 24.053 447 HB3 TYR 53 2HB TYR 53 12.162 29.887 22.499 448 H VAL 54 H VAL 54 9.359 32.239 20.606 449 HA VAL 54 HA VAL 54 10.384 30.627 18.362 450 HB VAL 54 HB VAL 54 8.727 31.909 16.967 451 HG11 VAL 54 1HG1 VAL 54 8.435 29.582 18.125 452 HG12 VAL 54 2HG1 VAL 54 7.227 30.438 19.086 453 HG13 VAL 54 3HG1 VAL 54 7.066 30.359 17.331 454 HG21 VAL 54 3HG2 VAL 54 6.834 32.953 18.171 455 HG22 VAL 54 1HG2 VAL 54 7.720 32.751 19.683 456 HG23 VAL 54 2HG2 VAL 54 8.358 33.805 18.421 457 H HIS 55 H HIS 55 11.397 31.691 16.617 458 HA HIS 55 HA HIS 55 12.127 34.498 17.017 459 HD1 HIS 55 HD1 HIS 55 14.048 35.867 15.986 460 HD2 HIS 55 HD2 HIS 55 16.377 32.453 15.556 461 HE1 HIS 55 HE1 HIS 55 15.972 36.546 14.516 462 HB2 HIS 55 1HB HIS 55 14.033 33.549 17.967 463 HB3 HIS 55 2HB HIS 55 14.016 32.172 16.869 464 H TYR 56 H TYR 56 11.438 35.467 15.230 465 HA TYR 56 HA TYR 56 10.861 34.234 12.801 466 HD1 TYR 56 HD2 TYR 56 10.141 36.892 15.478 467 HD2 TYR 56 HD1 TYR 56 8.535 36.139 11.611 468 HE1 TYR 56 HE2 TYR 56 7.866 37.105 16.388 469 HE2 TYR 56 HE1 TYR 56 6.256 36.350 12.510 470 HH TYR 56 HH TYR 56 5.611 36.453 15.879 471 HB2 TYR 56 1HB TYR 56 11.511 37.127 13.389 472 HB3 TYR 56 2HB TYR 56 10.852 36.552 11.861 473 H VAL 57 H VAL 57 12.324 33.117 11.671 474 HA VAL 57 HA VAL 57 15.086 33.593 11.615 475 HB VAL 57 HB VAL 57 13.499 32.230 9.440 476 HG11 VAL 57 1HG1 VAL 57 16.351 31.918 10.371 477 HG12 VAL 57 2HG1 VAL 57 15.565 30.927 9.140 478 HG13 VAL 57 3HG1 VAL 57 15.815 32.650 8.859 479 HG21 VAL 57 3HG2 VAL 57 14.304 30.177 10.921 480 HG22 VAL 57 1HG2 VAL 57 14.168 31.381 12.203 481 HG23 VAL 57 2HG2 VAL 57 12.766 30.991 11.207 482 H ASN 58 H ASN 58 12.554 34.465 9.276 483 HA ASN 58 HA ASN 58 14.213 35.686 7.384 484 HB2 ASN 58 1HB ASN 58 11.379 36.526 8.013 485 HB3 ASN 58 2HB ASN 58 12.224 36.668 6.475 486 HD21 ASN 58 2HD2 ASN 58 13.308 34.277 6.060 487 HD22 ASN 58 1HD2 ASN 58 12.098 33.046 5.979 488 H TYR 59 H TYR 59 13.143 36.759 10.478 489 HA TYR 59 HA TYR 59 14.132 39.475 9.916 490 HD1 TYR 59 HD1 TYR 59 13.220 41.432 9.897 491 HD2 TYR 59 HD2 TYR 59 9.941 38.942 10.971 492 HE1 TYR 59 HE1 TYR 59 11.732 42.794 8.489 493 HE2 TYR 59 HE2 TYR 59 8.445 40.297 9.565 494 HH TYR 59 HH TYR 59 9.686 42.889 7.525 495 HB2 TYR 59 1HB TYR 59 12.038 38.412 11.761 496 HB3 TYR 59 2HB TYR 59 12.914 39.863 12.235 497 H ASN 60 H ASN 60 14.844 40.481 12.212 498 HA ASN 60 HA ASN 60 17.194 38.965 12.936 499 HB2 ASN 60 1HB ASN 60 16.313 41.582 14.150 500 HB3 ASN 60 2HB ASN 60 17.946 40.933 14.034 501 HD21 ASN 60 2HD2 ASN 60 18.020 40.140 11.410 502 HD22 ASN 60 1HD2 ASN 60 17.906 41.527 10.386 503 H LYS 61 H LYS 61 17.801 39.047 15.372 504 HA LYS 61 HA LYS 61 15.926 37.419 16.752 505 HB2 LYS 61 1HB LYS 61 18.502 38.733 17.618 506 HB3 LYS 61 2HB LYS 61 17.560 37.685 18.671 507 HG2 LYS 61 1HG LYS 61 17.840 35.840 17.107 508 HG3 LYS 61 2HG LYS 61 18.757 36.889 16.023 509 HD2 LYS 61 1HD LYS 61 20.597 36.933 17.404 510 HD3 LYS 61 2HD LYS 61 19.648 36.606 18.856 511 HE2 LYS 61 1HE LYS 61 19.889 34.538 16.706 512 HE3 LYS 61 2HE LYS 61 21.185 34.752 17.882 513 HZ1 LYS 61 3HZ LYS 61 19.767 34.180 19.640 514 HZ2 LYS 61 1HZ LYS 61 19.424 33.049 18.430 515 HZ3 LYS 61 2HZ LYS 61 18.370 34.344 18.700 516 H ARG 62 H ARG 62 16.120 40.740 16.362 517 HA ARG 62 HA ARG 62 15.377 41.713 18.888 518 HE ARG 62 HE ARG 62 13.582 45.286 15.595 519 HB2 ARG 62 1HB ARG 62 14.636 43.714 17.715 520 HB3 ARG 62 2HB ARG 62 16.166 43.152 17.055 521 HG2 ARG 62 1HG ARG 62 14.706 41.957 15.295 522 HG3 ARG 62 2HG ARG 62 13.439 43.061 15.835 523 HD2 ARG 62 1HD ARG 62 16.137 44.130 15.124 524 HD3 ARG 62 2HD ARG 62 14.996 43.717 13.844 525 HH11 ARG 62 1HH1 ARG 62 16.486 45.631 13.706 526 HH12 ARG 62 2HH1 ARG 62 16.309 47.343 13.505 527 HH21 ARG 62 1HH2 ARG 62 13.337 47.540 15.338 528 HH22 ARG 62 2HH2 ARG 62 14.518 48.428 14.435 529 H LEU 63 H LEU 63 13.648 39.844 16.635 530 HA LEU 63 HA LEU 63 11.052 40.654 17.725 531 HG LEU 63 HG LEU 63 11.114 41.714 15.446 532 HB2 LEU 63 1HB LEU 63 11.942 39.209 15.279 533 HB3 LEU 63 2HB LEU 63 10.332 38.878 15.914 534 HD11 LEU 63 1HD1 LEU 63 10.049 41.247 13.085 535 HD12 LEU 63 2HD1 LEU 63 10.742 39.646 13.342 536 HD13 LEU 63 3HD1 LEU 63 11.782 41.070 13.359 537 HD21 LEU 63 3HD2 LEU 63 8.954 41.023 16.488 538 HD22 LEU 63 1HD2 LEU 63 8.535 40.231 14.970 539 HD23 LEU 63 2HD2 LEU 63 8.777 41.977 15.015 540 H ASP 64 H ASP 64 13.408 38.169 17.909 541 HA ASP 64 HA ASP 64 11.958 35.914 18.554 542 HB2 ASP 64 1HB ASP 64 14.347 35.787 18.326 543 HB3 ASP 64 2HB ASP 64 14.587 36.896 19.674 544 H GLU 65 H GLU 65 10.605 35.383 20.134 545 HA GLU 65 HA GLU 65 10.908 36.330 22.817 546 HB2 GLU 65 1HB GLU 65 8.846 37.572 23.006 547 HB3 GLU 65 2HB GLU 65 9.834 38.292 21.743 548 HG2 GLU 65 1HG GLU 65 8.444 36.790 20.152 549 HG3 GLU 65 2HG GLU 65 7.312 36.717 21.501 550 H TRP 66 H TRP 66 8.425 35.868 23.840 551 HA TRP 66 HA TRP 66 8.112 33.000 23.327 552 HD1 TRP 66 HD1 TRP 66 9.611 35.740 25.914 553 HE1 TRP 66 HE1 TRP 66 11.708 34.765 27.044 554 HE3 TRP 66 HE3 TRP 66 8.266 30.809 26.001 555 HZ2 TRP 66 HZ2 TRP 66 12.665 32.239 27.863 556 HZ3 TRP 66 HZ3 TRP 66 9.830 29.177 26.974 557 HH2 TRP 66 HH2 TRP 66 11.984 29.879 27.885 558 HB2 TRP 66 1HB TRP 66 7.095 34.653 25.649 559 HB3 TRP 66 2HB TRP 66 7.029 32.898 25.512 560 H ILE 67 H ILE 67 6.122 32.059 22.906 561 HA ILE 67 HA ILE 67 3.828 33.837 22.514 562 HB ILE 67 HB ILE 67 3.322 32.816 20.332 563 HG12 ILE 67 1HG1 ILE 67 6.123 31.718 20.293 564 HG13 ILE 67 2HG1 ILE 67 4.779 30.750 20.891 565 HG21 ILE 67 1HG2 ILE 67 5.280 33.887 19.082 566 HG22 ILE 67 2HG2 ILE 67 4.348 34.911 20.172 567 HG23 ILE 67 3HG2 ILE 67 5.916 34.283 20.679 568 HD11 ILE 67 3HD1 ILE 67 5.075 31.913 18.133 569 HD12 ILE 67 1HD1 ILE 67 5.202 30.215 18.592 570 HD13 ILE 67 2HD1 ILE 67 3.653 31.049 18.717 571 H THR 68 H THR 68 1.792 32.631 22.185 572 HA THR 68 HA THR 68 1.830 30.144 23.751 573 HB THR 68 HB THR 68 -0.756 30.705 23.787 574 HG1 THR 68 HG1 THR 68 -1.156 32.892 23.642 575 HG21 THR 68 3HG2 THR 68 1.296 32.167 25.454 576 HG22 THR 68 1HG2 THR 68 0.657 30.554 25.767 577 HG23 THR 68 2HG2 THR 68 -0.403 31.959 25.877 578 H THR 69 H THR 69 -0.162 28.705 23.196 579 HA THR 69 HA THR 69 0.242 27.564 20.697 580 HB THR 69 HB THR 69 -1.710 26.218 21.090 581 HG1 THR 69 HG1 THR 69 -3.230 27.729 21.717 582 HG21 THR 69 3HG2 THR 69 0.284 25.849 22.542 583 HG22 THR 69 1HG2 THR 69 -1.233 25.328 23.274 584 HG23 THR 69 2HG2 THR 69 -0.486 26.845 23.777 585 H ASP 70 H ASP 70 -2.208 29.898 21.734 586 HA ASP 70 HA ASP 70 -3.671 29.928 19.319 587 HB2 ASP 70 1HB ASP 70 -4.458 30.814 21.541 588 HB3 ASP 70 2HB ASP 70 -3.405 32.204 21.289 589 H ARG 71 H ARG 71 -0.593 31.100 20.079 590 HA ARG 71 HA ARG 71 -0.648 33.116 17.953 591 HE ARG 71 HE ARG 71 -0.341 36.222 21.768 592 HB2 ARG 71 1HB ARG 71 1.382 32.489 20.098 593 HB3 ARG 71 2HB ARG 71 1.667 33.652 18.810 594 HG2 ARG 71 1HG ARG 71 -0.599 34.668 19.679 595 HG3 ARG 71 2HG ARG 71 -0.141 33.825 21.160 596 HD2 ARG 71 1HD ARG 71 2.036 34.978 21.111 597 HD3 ARG 71 2HD ARG 71 1.519 35.855 19.670 598 HH11 ARG 71 1HH1 ARG 71 2.843 37.175 20.733 599 HH12 ARG 71 2HH1 ARG 71 2.800 38.696 21.562 600 HH21 ARG 71 1HH2 ARG 71 -0.410 38.222 22.865 601 HH22 ARG 71 2HH2 ARG 71 0.949 39.290 22.775 602 H ILE 72 H ILE 72 -0.402 29.971 17.931 603 HA ILE 72 HA ILE 72 1.901 29.876 16.095 604 HB ILE 72 HB ILE 72 0.637 27.594 17.619 605 HG12 ILE 72 1HG1 ILE 72 3.388 28.772 18.006 606 HG13 ILE 72 2HG1 ILE 72 1.993 29.304 18.938 607 HG21 ILE 72 1HG2 ILE 72 2.554 26.289 16.801 608 HG22 ILE 72 2HG2 ILE 72 1.533 26.869 15.486 609 HG23 ILE 72 3HG2 ILE 72 3.064 27.671 15.831 610 HD11 ILE 72 3HD1 ILE 72 1.719 26.827 19.546 611 HD12 ILE 72 1HD1 ILE 72 3.376 26.655 18.968 612 HD13 ILE 72 2HD1 ILE 72 3.018 27.744 20.308 613 H ASN 73 H ASN 73 1.682 28.895 14.095 614 HA ASN 73 HA ASN 73 -1.083 28.631 13.161 615 HB2 ASN 73 1HB ASN 73 1.509 28.968 11.635 616 HB3 ASN 73 2HB ASN 73 -0.074 28.793 10.884 617 HD21 ASN 73 2HD2 ASN 73 0.185 30.822 9.902 618 HD22 ASN 73 1HD2 ASN 73 -0.024 32.287 10.794 619 H LEU 74 H LEU 74 -1.766 26.592 13.497 620 HA LEU 74 HA LEU 74 0.011 24.349 12.940 621 HG LEU 74 HG LEU 74 -1.639 23.248 16.045 622 HB2 LEU 74 1HB LEU 74 -2.597 24.696 14.334 623 HB3 LEU 74 2HB LEU 74 -2.193 23.108 13.683 624 HD11 LEU 74 1HD1 LEU 74 0.004 21.844 15.561 625 HD12 LEU 74 2HD1 LEU 74 1.088 23.211 15.303 626 HD13 LEU 74 3HD1 LEU 74 0.163 22.553 13.954 627 HD21 LEU 74 3HD2 LEU 74 0.598 25.106 15.715 628 HD22 LEU 74 1HD2 LEU 74 -0.581 24.964 17.019 629 HD23 LEU 74 2HD2 LEU 74 -0.993 25.851 15.551 630 H ASP 75 H ASP 75 -1.423 26.207 10.928 631 HA ASP 75 HA ASP 75 -2.892 24.175 9.409 632 HB2 ASP 75 1HB ASP 75 -2.902 27.142 9.486 633 HB3 ASP 75 2HB ASP 75 -3.192 26.394 7.918 634 H LYS 76 H LYS 76 0.100 25.838 9.515 635 HA LYS 76 HA LYS 76 0.723 25.147 6.735 636 HB2 LYS 76 1HB LYS 76 1.665 27.176 8.635 637 HB3 LYS 76 2HB LYS 76 2.956 26.402 7.725 638 HG2 LYS 76 1HG LYS 76 2.410 27.452 5.833 639 HG3 LYS 76 2HG LYS 76 0.680 27.197 6.079 640 HD2 LYS 76 1HD LYS 76 0.459 29.124 7.375 641 HD3 LYS 76 2HD LYS 76 2.189 29.208 7.713 642 HE2 LYS 76 1HE LYS 76 0.935 29.642 5.005 643 HE3 LYS 76 2HE LYS 76 1.415 30.930 6.109 644 HZ1 LYS 76 3HZ LYS 76 3.512 29.037 5.611 645 HZ2 LYS 76 1HZ LYS 76 3.537 30.726 5.516 646 HZ3 LYS 76 2HZ LYS 76 2.989 29.814 4.202 647 H GLU 77 H GLU 77 2.498 23.861 6.188 648 HA GLU 77 HA GLU 77 2.984 21.637 7.799 649 HB2 GLU 77 1HB GLU 77 4.796 22.673 5.615 650 HB3 GLU 77 2HB GLU 77 4.681 21.018 6.196 651 HG2 GLU 77 1HG GLU 77 2.149 21.356 5.464 652 HG3 GLU 77 2HG GLU 77 2.900 22.521 4.376 653 H VAL 78 H VAL 78 4.650 21.028 9.138 654 HA VAL 78 HA VAL 78 6.279 23.229 10.185 655 HB VAL 78 HB VAL 78 5.886 20.506 11.422 656 HG11 VAL 78 1HG1 VAL 78 6.544 21.730 13.492 657 HG12 VAL 78 2HG1 VAL 78 7.819 21.634 12.276 658 HG13 VAL 78 3HG1 VAL 78 6.912 23.132 12.487 659 HG21 VAL 78 3HG2 VAL 78 3.715 21.292 11.446 660 HG22 VAL 78 1HG2 VAL 78 4.340 21.921 12.971 661 HG23 VAL 78 2HG2 VAL 78 4.215 22.979 11.566 662 H LEU 79 H LEU 79 8.514 22.957 10.594 663 HA LEU 79 HA LEU 79 9.782 20.974 8.831 664 HG LEU 79 HG LEU 79 11.460 21.820 7.364 665 HB2 LEU 79 1HB LEU 79 10.203 23.776 9.271 666 HB3 LEU 79 2HB LEU 79 11.674 22.886 9.661 667 HD11 LEU 79 1HD1 LEU 79 9.417 22.188 6.472 668 HD12 LEU 79 2HD1 LEU 79 10.202 23.645 5.864 669 HD13 LEU 79 3HD1 LEU 79 9.202 23.723 7.314 670 HD21 LEU 79 3HD2 LEU 79 12.390 24.446 8.150 671 HD22 LEU 79 1HD2 LEU 79 11.976 24.382 6.437 672 HD23 LEU 79 2HD2 LEU 79 13.149 23.245 7.102 673 H TYR 80 H TYR 80 11.204 19.523 9.617 674 HA TYR 80 HA TYR 80 11.887 19.710 12.479 675 HD1 TYR 80 HD1 TYR 80 8.694 18.241 11.188 676 HD2 TYR 80 HD2 TYR 80 11.269 17.383 14.465 677 HE1 TYR 80 HE1 TYR 80 6.764 18.296 12.711 678 HE2 TYR 80 HE2 TYR 80 9.346 17.435 15.997 679 HH TYR 80 HH TYR 80 6.946 17.195 15.948 680 HB2 TYR 80 1HB TYR 80 10.961 17.390 10.830 681 HB3 TYR 80 2HB TYR 80 12.036 17.099 12.193 682 HA PRO 81 HA PRO 81 16.141 19.334 11.477 683 HB2 PRO 81 1HB PRO 81 17.069 17.756 13.482 684 HB3 PRO 81 2HB PRO 81 16.579 19.437 13.730 685 HG2 PRO 81 1HG PRO 81 15.054 16.919 14.274 686 HG3 PRO 81 2HG PRO 81 15.195 18.379 15.270 687 HD2 PRO 81 1HD PRO 81 13.034 17.878 13.717 688 HD3 PRO 81 2HD PRO 81 13.618 19.524 14.039 689 H LYS 82 H LYS 82 17.505 18.095 10.281 690 HA LYS 82 HA LYS 82 16.752 15.272 9.887 691 HB2 LYS 82 1HB LYS 82 16.345 16.782 7.928 692 HB3 LYS 82 2HB LYS 82 18.075 17.092 7.869 693 HG2 LYS 82 1HG LYS 82 17.594 15.444 6.236 694 HG3 LYS 82 2HG LYS 82 18.419 14.632 7.569 695 HD2 LYS 82 1HD LYS 82 16.119 14.035 8.448 696 HD3 LYS 82 2HD LYS 82 15.484 14.591 6.898 697 HE2 LYS 82 1HE LYS 82 15.743 12.345 6.488 698 HE3 LYS 82 2HE LYS 82 17.289 12.972 5.918 699 HZ1 LYS 82 3HZ LYS 82 17.742 12.486 8.546 700 HZ2 LYS 82 1HZ LYS 82 18.178 11.462 7.272 701 HZ3 LYS 82 2HZ LYS 82 16.731 11.202 8.108 702 H LEU 83 H LEU 83 18.196 13.905 10.682 703 HA LEU 83 HA LEU 83 21.041 14.670 10.622 704 HG LEU 83 HG LEU 83 21.879 15.173 12.928 705 HB2 LEU 83 1HB LEU 83 19.375 13.498 12.775 706 HB3 LEU 83 2HB LEU 83 21.027 12.903 12.619 707 HD11 LEU 83 1HD1 LEU 83 20.191 16.887 13.768 708 HD12 LEU 83 2HD1 LEU 83 18.959 15.860 13.035 709 HD13 LEU 83 3HD1 LEU 83 20.225 16.570 12.033 710 HD21 LEU 83 3HD2 LEU 83 20.897 13.511 14.844 711 HD22 LEU 83 1HD2 LEU 83 20.056 15.016 15.218 712 HD23 LEU 83 2HD2 LEU 83 21.819 14.981 15.162 713 H LYS 84 H LYS 84 22.545 12.818 10.590 714 HA LYS 84 HA LYS 84 21.595 10.814 8.709 715 HB2 LYS 84 1HB LYS 84 24.311 11.675 9.668 716 HB3 LYS 84 2HB LYS 84 24.105 10.177 8.769 717 HG2 LYS 84 1HG LYS 84 24.586 11.595 7.058 718 HG3 LYS 84 2HG LYS 84 22.829 11.759 7.091 719 HD2 LYS 84 1HD LYS 84 23.557 13.964 7.006 720 HD3 LYS 84 2HD LYS 84 23.277 13.709 8.730 721 HE2 LYS 84 1HE LYS 84 25.648 13.312 9.077 722 HE3 LYS 84 2HE LYS 84 25.949 13.481 7.348 723 HZ1 LYS 84 3HZ LYS 84 25.122 15.781 7.515 724 HZ2 LYS 84 1HZ LYS 84 26.504 15.516 8.453 725 HZ3 LYS 84 2HZ LYS 84 24.985 15.599 9.191 726 H ALA 85 H ALA 85 20.249 9.757 10.355 727 HA ALA 85 HA ALA 85 21.292 8.515 12.645 728 HB1 ALA 85 1HB ALA 85 18.900 7.816 10.953 729 HB2 ALA 85 2HB ALA 85 19.266 7.067 12.507 730 HB3 ALA 85 3HB ALA 85 18.928 8.796 12.419 731 H THR 86 H THR 86 21.519 6.171 13.002 732 HA THR 86 HA THR 86 22.873 4.908 10.715 733 HB THR 86 HB THR 86 24.000 3.484 12.455 734 HG1 THR 86 HG1 THR 86 23.198 5.435 14.337 735 HG21 THR 86 3HG2 THR 86 24.775 6.179 13.287 736 HG22 THR 86 1HG2 THR 86 24.646 5.988 11.539 737 HG23 THR 86 2HG2 THR 86 25.715 4.934 12.465 738 H ASP 87 H ASP 87 19.971 4.849 11.311 739 HA ASP 87 HA ASP 87 19.637 1.960 11.778 740 HB2 ASP 87 1HB ASP 87 17.599 4.178 12.073 741 HB3 ASP 87 2HB ASP 87 17.308 2.468 12.382 742 H GLU 88 H GLU 88 17.373 1.295 10.681 743 HA GLU 88 HA GLU 88 17.659 2.034 7.845 744 HB2 GLU 88 1HB GLU 88 18.029 -0.403 8.733 745 HB3 GLU 88 2HB GLU 88 16.272 -0.461 8.751 746 HG2 GLU 88 1HG GLU 88 17.858 0.303 6.318 747 HG3 GLU 88 2HG GLU 88 17.390 -1.356 6.686 748 H ASP 89 H ASP 89 16.186 3.562 7.415 749 HA ASP 89 HA ASP 89 13.418 3.100 8.318 750 HB2 ASP 89 1HB ASP 89 13.189 5.628 7.919 751 HB3 ASP 89 2HB ASP 89 14.096 5.109 9.337 Start of MODEL 12 1 H1 GLY -2 H GLY -2 26.493 7.345 -20.826 2 HA2 GLY -2 1HA GLY -2 24.055 7.699 -21.410 3 HA3 GLY -2 2HA GLY -2 24.934 6.702 -22.560 4 H SER -1 H SER -1 25.087 4.288 -21.604 5 HA SER -1 HA SER -1 22.342 3.534 -20.841 6 HG SER -1 HG SER -1 24.692 3.062 -23.518 7 HB2 SER -1 1HB SER -1 22.808 1.416 -22.207 8 HB3 SER -1 2HB SER -1 22.529 2.902 -23.115 9 H HIS 0 H HIS 0 24.362 3.967 -18.965 10 HA HIS 0 HA HIS 0 24.930 1.219 -18.062 11 HD1 HIS 0 HD1 HIS 0 28.232 3.698 -19.642 12 HD2 HIS 0 HD2 HIS 0 27.117 -0.146 -18.528 13 HE1 HIS 0 HE1 HIS 0 29.531 2.159 -21.148 14 HB2 HIS 0 1HB HIS 0 26.579 3.726 -17.822 15 HB3 HIS 0 2HB HIS 0 26.823 2.362 -16.736 16 H MET 1 H MET 1 24.178 4.527 -17.037 17 HA MET 1 HA MET 1 23.132 3.429 -14.512 18 HB2 MET 1 1HB MET 1 24.288 6.133 -15.170 19 HB3 MET 1 2HB MET 1 23.350 5.843 -13.711 20 HG2 MET 1 1HG MET 1 25.477 5.561 -12.930 21 HG3 MET 1 2HG MET 1 25.048 3.903 -13.344 22 HE1 MET 1 3HE MET 1 27.901 6.813 -15.123 23 HE2 MET 1 1HE MET 1 26.615 6.657 -16.320 24 HE3 MET 1 2HE MET 1 26.226 7.125 -14.665 25 H SER 2 H SER 2 21.032 3.702 -14.023 26 HA SER 2 HA SER 2 19.350 5.010 -16.022 27 HG SER 2 HG SER 2 18.774 1.662 -15.255 28 HB2 SER 2 1HB SER 2 18.707 3.121 -13.750 29 HB3 SER 2 2HB SER 2 17.479 3.869 -14.772 30 H HIS 3 H HIS 3 19.625 4.880 -12.469 31 HA HIS 3 HA HIS 3 19.027 7.724 -12.334 32 HD1 HIS 3 HD1 HIS 3 17.485 5.565 -8.756 33 HD2 HIS 3 HD2 HIS 3 16.623 4.001 -12.508 34 HE1 HIS 3 HE1 HIS 3 16.870 3.159 -8.357 35 HB2 HIS 3 1HB HIS 3 17.286 7.340 -10.573 36 HB3 HIS 3 2HB HIS 3 16.807 6.812 -12.183 37 H ASP 4 H ASP 4 19.705 8.714 -10.409 38 HA ASP 4 HA ASP 4 21.520 7.053 -8.794 39 HB2 ASP 4 1HB ASP 4 22.809 9.041 -8.360 40 HB3 ASP 4 2HB ASP 4 22.540 8.928 -10.097 41 H GLY 5 H GLY 5 18.958 9.461 -8.653 42 HA2 GLY 5 1HA GLY 5 17.328 9.481 -6.926 43 HA3 GLY 5 2HA GLY 5 18.482 8.688 -5.864 44 H LYS 6 H LYS 6 17.227 11.681 -6.985 45 HA LYS 6 HA LYS 6 19.271 13.213 -5.556 46 HB2 LYS 6 1HB LYS 6 18.596 13.920 -7.843 47 HB3 LYS 6 2HB LYS 6 16.966 14.204 -7.244 48 HG2 LYS 6 1HG LYS 6 17.774 16.316 -7.105 49 HG3 LYS 6 2HG LYS 6 18.267 15.731 -5.514 50 HD2 LYS 6 1HD LYS 6 20.166 15.259 -7.728 51 HD3 LYS 6 2HD LYS 6 19.941 16.940 -7.240 52 HE2 LYS 6 1HE LYS 6 20.659 14.661 -5.397 53 HE3 LYS 6 2HE LYS 6 21.791 15.852 -6.036 54 HZ1 LYS 6 3HZ LYS 6 20.205 16.046 -3.751 55 HZ2 LYS 6 1HZ LYS 6 19.633 17.198 -4.850 56 HZ3 LYS 6 2HZ LYS 6 21.259 17.206 -4.387 57 H GLU 7 H GLU 7 18.879 13.224 -3.420 58 HA GLU 7 HA GLU 7 16.258 14.213 -2.541 59 HB2 GLU 7 1HB GLU 7 16.682 11.651 -2.249 60 HB3 GLU 7 2HB GLU 7 17.707 12.155 -0.914 61 HG2 GLU 7 1HG GLU 7 15.930 12.992 0.309 62 HG3 GLU 7 2HG GLU 7 14.895 13.141 -1.110 63 H GLU 8 H GLU 8 16.303 15.680 -0.903 64 HA GLU 8 HA GLU 8 18.964 16.387 0.149 65 HB2 GLU 8 1HB GLU 8 16.703 18.038 -0.847 66 HB3 GLU 8 2HB GLU 8 17.603 18.662 0.528 67 HG2 GLU 8 1HG GLU 8 19.502 18.996 -0.682 68 HG3 GLU 8 2HG GLU 8 19.141 17.696 -1.817 69 HA PRO 9 HA PRO 9 17.581 15.838 4.275 70 HB2 PRO 9 1HB PRO 9 18.761 17.911 5.570 71 HB3 PRO 9 2HB PRO 9 19.665 16.518 4.964 72 HG2 PRO 9 1HG PRO 9 19.325 19.232 3.745 73 HG3 PRO 9 2HG PRO 9 20.787 18.237 3.870 74 HD2 PRO 9 1HD PRO 9 19.328 18.401 1.596 75 HD3 PRO 9 2HD PRO 9 20.205 16.930 2.063 76 H GLY 10 H GLY 10 16.498 16.957 6.155 77 HA2 GLY 10 1HA GLY 10 15.089 18.667 7.001 78 HA3 GLY 10 2HA GLY 10 14.909 19.291 5.368 79 H ILE 11 H ILE 11 13.455 17.523 7.811 80 HA ILE 11 HA ILE 11 11.647 16.122 5.976 81 HB ILE 11 HB ILE 11 11.855 15.899 8.981 82 HG12 ILE 11 1HG1 ILE 11 12.669 13.511 8.129 83 HG13 ILE 11 2HG1 ILE 11 13.158 14.451 6.723 84 HG21 ILE 11 1HG2 ILE 11 10.246 14.373 6.945 85 HG22 ILE 11 2HG2 ILE 11 10.504 13.822 8.599 86 HG23 ILE 11 3HG2 ILE 11 9.646 15.333 8.297 87 HD11 ILE 11 3HD1 ILE 11 13.960 15.661 9.244 88 HD12 ILE 11 1HD1 ILE 11 14.640 14.055 8.987 89 HD13 ILE 11 2HD1 ILE 11 14.902 15.325 7.791 90 H ALA 12 H ALA 12 9.754 16.991 5.482 91 HA ALA 12 HA ALA 12 8.659 19.083 7.238 92 HB1 ALA 12 1HB ALA 12 7.337 19.737 5.196 93 HB2 ALA 12 2HB ALA 12 9.082 19.974 5.084 94 HB3 ALA 12 3HB ALA 12 8.326 18.593 4.288 95 H LYS 13 H LYS 13 6.952 18.562 8.421 96 HA LYS 13 HA LYS 13 4.964 16.702 7.341 97 HB2 LYS 13 1HB LYS 13 4.890 15.363 9.299 98 HB3 LYS 13 2HB LYS 13 6.587 15.486 8.856 99 HG2 LYS 13 1HG LYS 13 6.852 17.275 10.546 100 HG3 LYS 13 2HG LYS 13 5.177 17.011 11.036 101 HD2 LYS 13 1HD LYS 13 6.575 15.796 12.544 102 HD3 LYS 13 2HD LYS 13 5.775 14.624 11.494 103 HE2 LYS 13 1HE LYS 13 7.739 13.842 10.813 104 HE3 LYS 13 2HE LYS 13 8.234 15.452 10.291 105 HZ1 LYS 13 3HZ LYS 13 8.444 15.445 13.042 106 HZ2 LYS 13 1HZ LYS 13 9.712 15.412 11.922 107 HZ3 LYS 13 2HZ LYS 13 9.095 13.965 12.543 108 H LYS 14 H LYS 14 2.865 16.984 8.144 109 HA LYS 14 HA LYS 14 2.427 19.591 9.409 110 HB2 LYS 14 1HB LYS 14 0.889 17.889 7.530 111 HB3 LYS 14 2HB LYS 14 -0.048 18.826 8.686 112 HG2 LYS 14 1HG LYS 14 0.838 20.873 7.873 113 HG3 LYS 14 2HG LYS 14 2.045 20.033 6.897 114 HD2 LYS 14 1HD LYS 14 0.621 19.842 5.196 115 HD3 LYS 14 2HD LYS 14 -0.601 19.111 6.239 116 HE2 LYS 14 1HE LYS 14 -1.628 21.043 5.419 117 HE3 LYS 14 2HE LYS 14 -1.081 21.497 7.033 118 HZ1 LYS 14 3HZ LYS 14 -0.498 23.252 5.590 119 HZ2 LYS 14 1HZ LYS 14 0.161 22.204 4.437 120 HZ3 LYS 14 2HZ LYS 14 0.943 22.430 5.920 121 H ILE 15 H ILE 15 2.112 19.595 11.528 122 HA ILE 15 HA ILE 15 0.942 17.222 12.802 123 HB ILE 15 HB ILE 15 1.806 18.133 14.918 124 HG12 ILE 15 1HG1 ILE 15 3.266 20.210 13.296 125 HG13 ILE 15 2HG1 ILE 15 1.704 20.546 14.035 126 HG21 ILE 15 1HG2 ILE 15 4.310 18.044 14.188 127 HG22 ILE 15 2HG2 ILE 15 3.290 16.616 14.026 128 HG23 ILE 15 3HG2 ILE 15 3.634 17.618 12.616 129 HD11 ILE 15 3HD1 ILE 15 2.640 20.905 16.007 130 HD12 ILE 15 1HD1 ILE 15 3.521 19.379 15.941 131 HD13 ILE 15 2HD1 ILE 15 4.205 20.826 15.198 132 H ASN 16 H ASN 16 -0.232 17.944 14.972 133 HA ASN 16 HA ASN 16 -1.978 20.237 14.457 134 HB2 ASN 16 1HB ASN 16 -2.914 17.895 13.685 135 HB3 ASN 16 2HB ASN 16 -3.243 17.697 15.404 136 HD21 ASN 16 2HD2 ASN 16 -4.716 18.410 12.692 137 HD22 ASN 16 1HD2 ASN 16 -5.877 19.573 13.225 138 H SER 17 H SER 17 0.182 19.172 16.420 139 HA SER 17 HA SER 17 -1.193 20.149 18.814 140 HG SER 17 HG SER 17 -1.096 17.221 17.639 141 HB2 SER 17 1HB SER 17 0.664 17.794 19.037 142 HB3 SER 17 2HB SER 17 -0.552 18.358 20.183 143 H VAL 18 H VAL 18 0.037 21.423 20.108 144 HA VAL 18 HA VAL 18 2.552 22.340 19.061 145 HB VAL 18 HB VAL 18 2.528 23.973 20.837 146 HG11 VAL 18 1HG1 VAL 18 0.370 25.059 20.401 147 HG12 VAL 18 2HG1 VAL 18 1.096 24.421 18.924 148 HG13 VAL 18 3HG1 VAL 18 -0.234 23.559 19.698 149 HG21 VAL 18 3HG2 VAL 18 0.123 23.556 22.198 150 HG22 VAL 18 1HG2 VAL 18 0.925 21.986 22.169 151 HG23 VAL 18 2HG2 VAL 18 1.757 23.388 22.841 152 H ASP 19 H ASP 19 1.575 19.964 21.299 153 HA ASP 19 HA ASP 19 3.718 19.986 23.113 154 HB2 ASP 19 1HB ASP 19 1.593 18.681 23.369 155 HB3 ASP 19 2HB ASP 19 2.195 17.556 22.155 156 H ASP 20 H ASP 20 3.352 18.517 19.933 157 HA ASP 20 HA ASP 20 5.911 17.182 20.080 158 HB2 ASP 20 1HB ASP 20 3.734 17.398 18.036 159 HB3 ASP 20 2HB ASP 20 5.336 16.865 17.530 160 H ILE 21 H ILE 21 6.578 19.645 20.622 161 HA ILE 21 HA ILE 21 7.744 20.677 18.122 162 HB ILE 21 HB ILE 21 6.682 22.314 20.427 163 HG12 ILE 21 1HG1 ILE 21 5.847 22.219 17.520 164 HG13 ILE 21 2HG1 ILE 21 4.977 21.450 18.842 165 HG21 ILE 21 1HG2 ILE 21 8.190 23.158 17.958 166 HG22 ILE 21 2HG2 ILE 21 7.355 24.264 19.047 167 HG23 ILE 21 3HG2 ILE 21 8.719 23.313 19.633 168 HD11 ILE 21 3HD1 ILE 21 3.927 23.535 18.219 169 HD12 ILE 21 1HD1 ILE 21 4.591 23.645 19.849 170 HD13 ILE 21 2HD1 ILE 21 5.437 24.403 18.500 171 H ILE 22 H ILE 22 9.857 21.345 18.203 172 HA ILE 22 HA ILE 22 11.240 21.153 20.790 173 HB ILE 22 HB ILE 22 13.174 20.090 19.597 174 HG12 ILE 22 1HG1 ILE 22 11.159 19.403 17.459 175 HG13 ILE 22 2HG1 ILE 22 12.268 20.762 17.303 176 HG21 ILE 22 1HG2 ILE 22 10.991 18.146 19.262 177 HG22 ILE 22 2HG2 ILE 22 12.455 18.055 20.239 178 HG23 ILE 22 3HG2 ILE 22 11.057 18.954 20.828 179 HD11 ILE 22 3HD1 ILE 22 13.103 17.901 17.707 180 HD12 ILE 22 1HD1 ILE 22 13.047 18.734 16.154 181 HD13 ILE 22 2HD1 ILE 22 14.161 19.280 17.408 182 H ILE 23 H ILE 23 13.713 21.828 20.254 183 HA ILE 23 HA ILE 23 13.559 24.593 19.595 184 HB ILE 23 HB ILE 23 15.964 22.830 20.071 185 HG12 ILE 23 1HG1 ILE 23 15.889 24.397 22.214 186 HG13 ILE 23 2HG1 ILE 23 14.178 24.473 21.810 187 HG21 ILE 23 1HG2 ILE 23 16.969 24.561 18.984 188 HG22 ILE 23 2HG2 ILE 23 15.701 25.710 19.407 189 HG23 ILE 23 3HG2 ILE 23 16.908 25.248 20.607 190 HD11 ILE 23 3HD1 ILE 23 14.941 22.700 23.473 191 HD12 ILE 23 1HD1 ILE 23 13.876 22.192 22.163 192 HD13 ILE 23 2HD1 ILE 23 15.606 21.856 22.074 193 H LYS 24 H LYS 24 14.541 21.712 17.875 194 HA LYS 24 HA LYS 24 15.650 23.222 15.659 195 HB2 LYS 24 1HB LYS 24 15.186 20.252 15.990 196 HB3 LYS 24 2HB LYS 24 16.042 21.002 14.649 197 HG2 LYS 24 1HG LYS 24 16.876 21.016 17.541 198 HG3 LYS 24 2HG LYS 24 17.619 20.099 16.229 199 HD2 LYS 24 1HD LYS 24 17.835 22.516 15.162 200 HD3 LYS 24 2HD LYS 24 17.780 23.001 16.858 201 HE2 LYS 24 1HE LYS 24 20.044 22.721 16.525 202 HE3 LYS 24 2HE LYS 24 19.580 21.143 17.160 203 HZ1 LYS 24 3HZ LYS 24 21.019 20.939 15.229 204 HZ2 LYS 24 1HZ LYS 24 19.919 21.813 14.286 205 HZ3 LYS 24 2HZ LYS 24 19.489 20.297 14.901 206 H CYS 25 H CYS 25 12.623 22.761 16.636 207 HA CYS 25 HA CYS 25 11.456 22.018 14.077 208 HG CYS 25 HG CYS 25 8.707 22.935 13.932 209 HB2 CYS 25 1HB CYS 25 10.320 21.077 15.934 210 HB3 CYS 25 2HB CYS 25 10.296 22.611 16.795 211 H GLN 26 H GLN 26 10.384 23.377 12.715 212 HA GLN 26 HA GLN 26 10.340 26.231 13.438 213 HB2 GLN 26 1HB GLN 26 11.031 25.024 10.755 214 HB3 GLN 26 2HB GLN 26 10.824 26.744 11.058 215 HG2 GLN 26 1HG GLN 26 12.738 26.828 12.439 216 HG3 GLN 26 2HG GLN 26 12.847 25.070 12.514 217 HE21 GLN 26 2HE2 GLN 26 13.629 23.935 10.728 218 HE22 GLN 26 1HE2 GLN 26 14.536 24.712 9.479 219 H CYS 27 H CYS 27 8.450 27.245 13.171 220 HA CYS 27 HA CYS 27 6.449 26.101 11.366 221 HG CYS 27 HG CYS 27 6.212 28.225 14.867 222 HB2 CYS 27 1HB CYS 27 4.700 26.481 13.153 223 HB3 CYS 27 2HB CYS 27 5.801 25.141 13.449 224 H TRP 28 H TRP 28 4.492 27.633 11.240 225 HA TRP 28 HA TRP 28 5.552 30.313 10.801 226 HD1 TRP 28 HD1 TRP 28 4.739 27.266 8.523 227 HE1 TRP 28 HE1 TRP 28 5.991 27.646 6.306 228 HE3 TRP 28 HE3 TRP 28 4.406 32.361 8.265 229 HZ2 TRP 28 HZ2 TRP 28 6.739 29.818 4.666 230 HZ3 TRP 28 HZ3 TRP 28 5.417 33.513 6.340 231 HH2 TRP 28 HH2 TRP 28 6.559 32.266 4.579 232 HB2 TRP 28 1HB TRP 28 3.048 28.899 9.898 233 HB3 TRP 28 2HB TRP 28 3.271 30.632 9.674 234 H VAL 29 H VAL 29 4.863 32.123 11.835 235 HA VAL 29 HA VAL 29 2.919 31.738 14.018 236 HB VAL 29 HB VAL 29 5.182 33.737 13.925 237 HG11 VAL 29 1HG1 VAL 29 3.418 32.966 16.242 238 HG12 VAL 29 2HG1 VAL 29 4.617 34.260 16.186 239 HG13 VAL 29 3HG1 VAL 29 3.143 34.379 15.224 240 HG21 VAL 29 3HG2 VAL 29 5.992 31.423 14.123 241 HG22 VAL 29 1HG2 VAL 29 6.276 32.352 15.595 242 HG23 VAL 29 2HG2 VAL 29 4.951 31.190 15.527 243 H GLN 30 H GLN 30 1.265 33.169 14.249 244 HA GLN 30 HA GLN 30 0.687 34.867 11.987 245 HB2 GLN 30 1HB GLN 30 -0.940 33.376 13.415 246 HB3 GLN 30 2HB GLN 30 -1.007 34.795 14.452 247 HG2 GLN 30 1HG GLN 30 -1.524 36.053 12.234 248 HG3 GLN 30 2HG GLN 30 -1.971 34.449 11.654 249 HE21 GLN 30 2HE2 GLN 30 -2.456 36.456 14.544 250 HE22 GLN 30 1HE2 GLN 30 -4.142 36.115 14.705 251 H LYS 31 H LYS 31 1.407 36.877 11.852 252 HA LYS 31 HA LYS 31 1.320 38.592 14.215 253 HB2 LYS 31 1HB LYS 31 3.704 37.479 13.438 254 HB3 LYS 31 2HB LYS 31 3.724 39.016 12.583 255 HG2 LYS 31 1HG LYS 31 4.825 39.228 14.722 256 HG3 LYS 31 2HG LYS 31 3.346 40.190 14.702 257 HD2 LYS 31 1HD LYS 31 2.187 38.579 16.018 258 HD3 LYS 31 2HD LYS 31 3.492 37.405 15.841 259 HE2 LYS 31 1HE LYS 31 3.750 38.293 18.002 260 HE3 LYS 31 2HE LYS 31 4.970 39.104 17.021 261 HZ1 LYS 31 3HZ LYS 31 2.313 40.311 17.490 262 HZ2 LYS 31 1HZ LYS 31 3.741 41.067 16.989 263 HZ3 LYS 31 2HZ LYS 31 3.586 40.526 18.583 264 H ASN 32 H ASN 32 0.719 40.649 13.780 265 HA ASN 32 HA ASN 32 -0.205 42.374 12.613 266 HB2 ASN 32 1HB ASN 32 2.317 42.413 11.978 267 HB3 ASN 32 2HB ASN 32 1.766 41.827 10.411 268 HD21 ASN 32 2HD2 ASN 32 2.334 43.654 9.300 269 HD22 ASN 32 1HD2 ASN 32 1.524 45.167 9.494 270 H ASP 33 H ASP 33 -1.726 40.202 12.319 271 HA ASP 33 HA ASP 33 -3.274 39.153 11.015 272 HB2 ASP 33 1HB ASP 33 -2.954 41.740 9.484 273 HB3 ASP 33 2HB ASP 33 -4.225 40.563 9.166 274 H GLU 34 H GLU 34 -0.415 38.698 10.426 275 HA GLU 34 HA GLU 34 -0.786 37.532 7.767 276 HB2 GLU 34 1HB GLU 34 1.438 39.370 8.606 277 HB3 GLU 34 2HB GLU 34 1.692 38.167 7.349 278 HG2 GLU 34 1HG GLU 34 0.182 39.178 5.900 279 HG3 GLU 34 2HG GLU 34 -0.592 40.092 7.193 280 H GLU 35 H GLU 35 1.355 36.154 7.309 281 HA GLU 35 HA GLU 35 1.959 34.651 9.769 282 HB2 GLU 35 1HB GLU 35 1.978 32.588 8.375 283 HB3 GLU 35 2HB GLU 35 0.394 33.340 8.495 284 HG2 GLU 35 1HG GLU 35 1.411 34.504 6.244 285 HG3 GLU 35 2HG GLU 35 2.080 32.875 6.162 286 H ARG 36 H ARG 36 4.053 34.416 10.191 287 HA ARG 36 HA ARG 36 5.974 34.650 7.974 288 HE ARG 36 HE ARG 36 7.093 39.807 8.020 289 HB2 ARG 36 1HB ARG 36 6.193 35.908 10.714 290 HB3 ARG 36 2HB ARG 36 7.493 35.863 9.531 291 HG2 ARG 36 1HG ARG 36 5.985 37.110 7.965 292 HG3 ARG 36 2HG ARG 36 4.867 37.309 9.316 293 HD2 ARG 36 1HD ARG 36 6.427 38.596 10.540 294 HD3 ARG 36 2HD ARG 36 7.749 38.150 9.463 295 HH11 ARG 36 1HH1 ARG 36 4.570 39.237 10.349 296 HH12 ARG 36 2HH1 ARG 36 3.634 40.613 9.866 297 HH21 ARG 36 1HH2 ARG 36 5.870 41.621 7.374 298 HH22 ARG 36 2HH2 ARG 36 4.374 41.968 8.173 299 H LEU 37 H LEU 37 7.632 33.219 7.976 300 HA LEU 37 HA LEU 37 7.436 30.878 9.527 301 HG LEU 37 HG LEU 37 9.681 29.514 9.413 302 HB2 LEU 37 1HB LEU 37 8.471 31.105 7.250 303 HB3 LEU 37 2HB LEU 37 9.869 31.837 8.035 304 HD11 LEU 37 1HD1 LEU 37 7.788 28.870 7.843 305 HD12 LEU 37 2HD1 LEU 37 9.102 27.709 8.031 306 HD13 LEU 37 3HD1 LEU 37 9.022 28.726 6.592 307 HD21 LEU 37 3HD2 LEU 37 11.119 29.387 6.824 308 HD22 LEU 37 1HD2 LEU 37 11.685 29.032 8.456 309 HD23 LEU 37 2HD2 LEU 37 11.531 30.706 7.921 310 H ALA 38 H ALA 38 8.025 30.528 11.554 311 HA ALA 38 HA ALA 38 10.246 32.112 12.672 312 HB1 ALA 38 1HB ALA 38 9.130 32.442 14.677 313 HB2 ALA 38 2HB ALA 38 7.847 32.636 13.482 314 HB3 ALA 38 3HB ALA 38 7.995 31.126 14.380 315 H GLU 39 H GLU 39 11.798 31.025 13.762 316 HA GLU 39 HA GLU 39 11.562 28.104 13.824 317 HB2 GLU 39 1HB GLU 39 13.497 28.848 12.634 318 HB3 GLU 39 2HB GLU 39 13.943 29.953 13.927 319 HG2 GLU 39 1HG GLU 39 14.532 28.145 15.367 320 HG3 GLU 39 2HG GLU 39 13.882 26.963 14.232 321 H ILE 40 H ILE 40 11.435 27.001 15.674 322 HA ILE 40 HA ILE 40 10.990 28.299 18.132 323 HB ILE 40 HB ILE 40 11.694 25.400 17.658 324 HG12 ILE 40 1HG1 ILE 40 9.700 26.192 16.400 325 HG13 ILE 40 2HG1 ILE 40 9.304 24.992 17.626 326 HG21 ILE 40 1HG2 ILE 40 10.389 25.116 19.816 327 HG22 ILE 40 2HG2 ILE 40 11.996 25.828 19.954 328 HG23 ILE 40 3HG2 ILE 40 10.567 26.857 20.032 329 HD11 ILE 40 3HD1 ILE 40 9.117 27.643 18.714 330 HD12 ILE 40 1HD1 ILE 40 8.135 27.491 17.257 331 HD13 ILE 40 2HD1 ILE 40 7.891 26.381 18.606 332 H LEU 41 H LEU 41 12.252 28.592 19.929 333 HA LEU 41 HA LEU 41 15.130 28.060 19.590 334 HG LEU 41 HG LEU 41 14.339 30.715 18.503 335 HB2 LEU 41 1HB LEU 41 13.669 30.369 20.823 336 HB3 LEU 41 2HB LEU 41 15.337 30.008 21.262 337 HD11 LEU 41 1HD1 LEU 41 14.334 32.716 19.661 338 HD12 LEU 41 2HD1 LEU 41 15.962 32.676 18.983 339 HD13 LEU 41 3HD1 LEU 41 15.701 32.254 20.675 340 HD21 LEU 41 3HD2 LEU 41 16.165 29.626 17.819 341 HD22 LEU 41 1HD2 LEU 41 16.804 29.486 19.457 342 HD23 LEU 41 2HD2 LEU 41 17.075 30.961 18.528 343 H SER 42 H SER 42 12.419 28.113 21.834 344 HA SER 42 HA SER 42 13.583 26.004 23.391 345 HG SER 42 HG SER 42 15.269 27.522 25.779 346 HB2 SER 42 1HB SER 42 14.283 28.583 24.168 347 HB3 SER 42 2HB SER 42 12.956 28.158 25.250 348 H ILE 43 H ILE 43 12.133 25.523 25.347 349 HA ILE 43 HA ILE 43 9.334 26.169 24.692 350 HB ILE 43 HB ILE 43 10.323 23.490 25.672 351 HG12 ILE 43 1HG1 ILE 43 9.286 24.237 22.931 352 HG13 ILE 43 2HG1 ILE 43 10.987 24.013 23.321 353 HG21 ILE 43 1HG2 ILE 43 7.611 24.566 24.970 354 HG22 ILE 43 2HG2 ILE 43 7.958 22.838 24.966 355 HG23 ILE 43 3HG2 ILE 43 8.132 23.769 26.453 356 HD11 ILE 43 3HD1 ILE 43 9.983 21.679 24.203 357 HD12 ILE 43 1HD1 ILE 43 8.867 22.030 22.884 358 HD13 ILE 43 2HD1 ILE 43 10.600 21.936 22.572 359 H ASN 44 H ASN 44 7.935 26.472 26.398 360 HA ASN 44 HA ASN 44 8.981 26.162 29.115 361 HB2 ASN 44 1HB ASN 44 9.401 28.513 28.312 362 HB3 ASN 44 2HB ASN 44 7.656 28.714 28.185 363 HD21 ASN 44 2HD2 ASN 44 9.392 30.240 29.818 364 HD22 ASN 44 1HD2 ASN 44 8.938 29.970 31.463 365 H THR 45 H THR 45 7.557 24.591 29.688 366 HA THR 45 HA THR 45 4.697 25.058 29.248 367 HB THR 45 HB THR 45 4.481 22.674 30.110 368 HG1 THR 45 HG1 THR 45 6.287 21.952 30.957 369 HG21 THR 45 3HG2 THR 45 4.250 22.383 27.910 370 HG22 THR 45 1HG2 THR 45 5.970 22.004 27.849 371 HG23 THR 45 2HG2 THR 45 5.420 23.654 27.557 372 H ARG 46 H ARG 46 5.509 26.805 31.050 373 HA ARG 46 HA ARG 46 5.037 25.641 33.703 374 HE ARG 46 HE ARG 46 6.168 30.531 35.071 375 HB2 ARG 46 1HB ARG 46 6.098 27.507 34.641 376 HB3 ARG 46 2HB ARG 46 7.039 27.171 33.194 377 HG2 ARG 46 1HG ARG 46 5.644 28.920 32.028 378 HG3 ARG 46 2HG ARG 46 5.021 29.353 33.621 379 HD2 ARG 46 1HD ARG 46 7.924 29.153 33.553 380 HD3 ARG 46 2HD ARG 46 7.295 30.360 32.433 381 HH11 ARG 46 1HH1 ARG 46 8.806 31.495 33.015 382 HH12 ARG 46 2HH1 ARG 46 9.184 32.909 33.943 383 HH21 ARG 46 1HH2 ARG 46 6.656 32.389 36.301 384 HH22 ARG 46 2HH2 ARG 46 7.961 33.415 35.812 385 H LYS 47 H LYS 47 3.179 26.673 31.336 386 HA LYS 47 HA LYS 47 1.178 27.773 33.168 387 HB2 LYS 47 1HB LYS 47 2.485 29.231 31.037 388 HB3 LYS 47 2HB LYS 47 0.753 29.124 30.750 389 HG2 LYS 47 1HG LYS 47 0.811 31.026 31.986 390 HG3 LYS 47 2HG LYS 47 0.646 29.845 33.288 391 HD2 LYS 47 1HD LYS 47 2.838 30.077 33.956 392 HD3 LYS 47 2HD LYS 47 3.377 30.613 32.363 393 HE2 LYS 47 1HE LYS 47 1.602 32.250 34.164 394 HE3 LYS 47 2HE LYS 47 3.360 32.384 34.146 395 HZ1 LYS 47 3HZ LYS 47 3.133 32.845 31.699 396 HZ2 LYS 47 1HZ LYS 47 2.551 34.056 32.727 397 HZ3 LYS 47 2HZ LYS 47 1.469 33.011 31.955 398 H ALA 48 H ALA 48 -0.977 28.041 31.777 399 HA ALA 48 HA ALA 48 -1.271 25.771 29.948 400 HB1 ALA 48 1HB ALA 48 -3.527 25.387 31.260 401 HB2 ALA 48 2HB ALA 48 -2.020 24.632 31.781 402 HB3 ALA 48 3HB ALA 48 -2.602 26.088 32.588 403 HA PRO 49 HA PRO 49 -1.761 25.422 28.151 404 HB2 PRO 49 1HB PRO 49 -1.214 26.553 25.744 405 HB3 PRO 49 2HB PRO 49 -2.764 25.788 26.116 406 HG2 PRO 49 1HG PRO 49 -2.032 28.691 26.130 407 HG3 PRO 49 2HG PRO 49 -3.495 27.908 25.503 408 HD2 PRO 49 1HD PRO 49 -3.426 29.159 27.904 409 HD3 PRO 49 2HD PRO 49 -4.455 27.746 27.593 410 HA PRO 50 HA PRO 50 2.418 26.638 28.776 411 HB2 PRO 50 1HB PRO 50 3.745 25.158 26.926 412 HB3 PRO 50 2HB PRO 50 3.017 24.456 28.376 413 HG2 PRO 50 1HG PRO 50 1.959 24.541 25.577 414 HG3 PRO 50 2HG PRO 50 1.948 23.200 26.737 415 HD2 PRO 50 1HD PRO 50 -0.226 24.749 26.278 416 HD3 PRO 50 2HD PRO 50 0.114 24.025 27.863 417 H LYS 51 H LYS 51 4.359 27.578 27.735 418 HA LYS 51 HA LYS 51 3.620 29.191 25.381 419 HB2 LYS 51 1HB LYS 51 5.445 29.884 27.690 420 HB3 LYS 51 2HB LYS 51 5.238 30.879 26.254 421 HG2 LYS 51 1HG LYS 51 2.906 31.223 26.784 422 HG3 LYS 51 2HG LYS 51 3.037 30.141 28.173 423 HD2 LYS 51 1HD LYS 51 4.290 31.654 29.397 424 HD3 LYS 51 2HD LYS 51 4.842 32.516 27.959 425 HE2 LYS 51 1HE LYS 51 2.305 33.086 27.690 426 HE3 LYS 51 2HE LYS 51 2.237 32.706 29.410 427 HZ1 LYS 51 3HZ LYS 51 4.419 34.438 28.741 428 HZ2 LYS 51 1HZ LYS 51 3.226 34.615 29.927 429 HZ3 LYS 51 2HZ LYS 51 2.919 35.108 28.339 430 H PHE 52 H PHE 52 5.409 29.826 23.971 431 HA PHE 52 HA PHE 52 7.748 28.070 24.083 432 HD1 PHE 52 HD1 PHE 52 4.037 27.636 22.966 433 HD2 PHE 52 HD2 PHE 52 7.526 25.248 22.474 434 HE1 PHE 52 HE1 PHE 52 2.760 25.641 23.630 435 HE2 PHE 52 HE2 PHE 52 6.254 23.249 23.137 436 HZ PHE 52 HZ PHE 52 3.869 23.443 23.715 437 HB2 PHE 52 1HB PHE 52 6.017 28.390 21.623 438 HB3 PHE 52 2HB PHE 52 7.515 27.470 21.720 439 H TYR 53 H TYR 53 9.569 28.840 22.947 440 HA TYR 53 HA TYR 53 9.487 31.730 22.467 441 HD1 TYR 53 HD2 TYR 53 10.240 33.225 23.667 442 HD2 TYR 53 HD1 TYR 53 13.916 31.437 22.488 443 HE1 TYR 53 HE2 TYR 53 11.321 35.434 23.707 444 HE2 TYR 53 HE1 TYR 53 15.007 33.640 22.526 445 HH TYR 53 HH TYR 53 13.581 36.373 23.940 446 HB2 TYR 53 1HB TYR 53 11.155 30.519 24.071 447 HB3 TYR 53 2HB TYR 53 12.016 30.121 22.588 448 H VAL 54 H VAL 54 9.316 32.391 20.440 449 HA VAL 54 HA VAL 54 10.457 30.712 18.302 450 HB VAL 54 HB VAL 54 8.841 31.896 16.785 451 HG11 VAL 54 1HG1 VAL 54 8.502 29.613 17.835 452 HG12 VAL 54 2HG1 VAL 54 7.429 30.411 18.986 453 HG13 VAL 54 3HG1 VAL 54 7.052 30.436 17.263 454 HG21 VAL 54 3HG2 VAL 54 6.870 32.947 17.874 455 HG22 VAL 54 1HG2 VAL 54 7.726 32.862 19.414 456 HG23 VAL 54 2HG2 VAL 54 8.367 33.852 18.103 457 H HIS 55 H HIS 55 11.424 31.789 16.495 458 HA HIS 55 HA HIS 55 12.235 34.569 16.992 459 HD1 HIS 55 HD1 HIS 55 14.031 35.932 15.855 460 HD2 HIS 55 HD2 HIS 55 16.345 32.561 15.119 461 HE1 HIS 55 HE1 HIS 55 15.880 36.704 14.335 462 HB2 HIS 55 1HB HIS 55 14.163 33.449 17.701 463 HB3 HIS 55 2HB HIS 55 14.002 32.196 16.474 464 H TYR 56 H TYR 56 11.909 35.836 15.289 465 HA TYR 56 HA TYR 56 10.936 34.767 12.829 466 HD1 TYR 56 HD1 TYR 56 8.693 36.167 11.962 467 HD2 TYR 56 HD2 TYR 56 10.254 37.789 15.572 468 HE1 TYR 56 HE1 TYR 56 6.414 36.303 12.879 469 HE2 TYR 56 HE2 TYR 56 7.980 37.929 16.499 470 HH TYR 56 HH TYR 56 5.827 37.160 16.219 471 HB2 TYR 56 1HB TYR 56 11.655 37.573 13.684 472 HB3 TYR 56 2HB TYR 56 10.991 37.188 12.100 473 H VAL 57 H VAL 57 12.304 33.724 11.522 474 HA VAL 57 HA VAL 57 15.068 34.157 11.334 475 HB VAL 57 HB VAL 57 13.255 32.968 9.229 476 HG11 VAL 57 1HG1 VAL 57 15.117 32.884 8.009 477 HG12 VAL 57 2HG1 VAL 57 16.116 33.404 9.368 478 HG13 VAL 57 3HG1 VAL 57 15.717 31.697 9.167 479 HG21 VAL 57 3HG2 VAL 57 14.274 31.952 11.803 480 HG22 VAL 57 1HG2 VAL 57 12.836 31.497 10.890 481 HG23 VAL 57 2HG2 VAL 57 14.412 30.852 10.431 482 H ASN 58 H ASN 58 12.378 35.712 9.775 483 HA ASN 58 HA ASN 58 13.862 36.888 7.640 484 HB2 ASN 58 1HB ASN 58 11.137 37.347 8.816 485 HB3 ASN 58 2HB ASN 58 11.789 38.462 7.619 486 HD21 ASN 58 2HD2 ASN 58 10.753 35.187 8.221 487 HD22 ASN 58 1HD2 ASN 58 10.553 34.738 6.565 488 H TYR 59 H TYR 59 13.321 37.681 10.960 489 HA TYR 59 HA TYR 59 14.612 40.298 10.551 490 HD1 TYR 59 HD2 TYR 59 13.116 42.228 10.366 491 HD2 TYR 59 HD1 TYR 59 10.599 39.273 12.108 492 HE1 TYR 59 HE2 TYR 59 11.211 43.097 9.075 493 HE2 TYR 59 HE1 TYR 59 8.688 40.133 10.821 494 HH TYR 59 HH TYR 59 9.066 42.856 8.569 495 HB2 TYR 59 1HB TYR 59 12.793 39.404 12.797 496 HB3 TYR 59 2HB TYR 59 13.577 40.976 12.694 497 H ASN 60 H ASN 60 15.504 40.925 12.982 498 HA ASN 60 HA ASN 60 17.745 39.147 13.310 499 HB2 ASN 60 1HB ASN 60 16.957 41.782 14.530 500 HB3 ASN 60 2HB ASN 60 18.322 40.862 15.157 501 HD21 ASN 60 2HD2 ASN 60 17.063 42.640 12.446 502 HD22 ASN 60 1HD2 ASN 60 18.568 42.840 11.622 503 H LYS 61 H LYS 61 18.460 38.720 15.674 504 HA LYS 61 HA LYS 61 16.554 36.971 16.830 505 HB2 LYS 61 1HB LYS 61 18.253 36.762 18.668 506 HB3 LYS 61 2HB LYS 61 18.872 36.434 17.055 507 HG2 LYS 61 1HG LYS 61 19.196 39.214 17.686 508 HG3 LYS 61 2HG LYS 61 19.898 38.210 18.956 509 HD2 LYS 61 1HD LYS 61 21.438 37.254 17.534 510 HD3 LYS 61 2HD LYS 61 20.449 37.538 16.101 511 HE2 LYS 61 1HE LYS 61 21.321 39.579 15.761 512 HE3 LYS 61 2HE LYS 61 21.299 39.979 17.478 513 HZ1 LYS 61 3HZ LYS 61 23.545 39.721 16.261 514 HZ2 LYS 61 1HZ LYS 61 23.278 38.061 16.448 515 HZ3 LYS 61 2HZ LYS 61 23.367 39.061 17.808 516 H ARG 62 H ARG 62 16.964 40.304 17.077 517 HA ARG 62 HA ARG 62 16.051 40.592 19.795 518 HE ARG 62 HE ARG 62 16.928 44.891 18.682 519 HB2 ARG 62 1HB ARG 62 16.070 42.974 19.353 520 HB3 ARG 62 2HB ARG 62 17.547 42.251 18.731 521 HG2 ARG 62 1HG ARG 62 16.175 42.138 16.498 522 HG3 ARG 62 2HG ARG 62 15.245 43.428 17.263 523 HD2 ARG 62 1HD ARG 62 18.193 43.395 16.649 524 HD3 ARG 62 2HD ARG 62 16.960 44.445 15.951 525 HH11 ARG 62 1HH1 ARG 62 19.179 45.228 16.048 526 HH12 ARG 62 2HH1 ARG 62 20.021 46.561 16.767 527 HH21 ARG 62 1HH2 ARG 62 18.028 46.645 19.638 528 HH22 ARG 62 2HH2 ARG 62 19.366 47.365 18.809 529 H LEU 63 H LEU 63 14.527 39.606 17.087 530 HA LEU 63 HA LEU 63 12.026 41.036 17.619 531 HG LEU 63 HG LEU 63 11.678 41.164 14.001 532 HB2 LEU 63 1HB LEU 63 13.242 39.779 15.295 533 HB3 LEU 63 2HB LEU 63 11.561 39.299 15.523 534 HD11 LEU 63 1HD1 LEU 63 10.713 42.364 16.567 535 HD12 LEU 63 2HD1 LEU 63 9.889 40.978 15.852 536 HD13 LEU 63 3HD1 LEU 63 10.026 42.486 14.947 537 HD21 LEU 63 3HD2 LEU 63 12.778 43.159 14.393 538 HD22 LEU 63 1HD2 LEU 63 13.882 41.982 15.104 539 HD23 LEU 63 2HD2 LEU 63 12.807 42.921 16.141 540 H ASP 64 H ASP 64 13.563 37.990 18.062 541 HA ASP 64 HA ASP 64 11.448 36.215 18.178 542 HB2 ASP 64 1HB ASP 64 12.821 34.881 19.695 543 HB3 ASP 64 2HB ASP 64 13.813 35.557 18.407 544 H GLU 65 H GLU 65 10.434 35.255 20.133 545 HA GLU 65 HA GLU 65 10.241 36.666 22.565 546 HB2 GLU 65 1HB GLU 65 7.922 37.522 22.324 547 HB3 GLU 65 2HB GLU 65 9.081 38.361 21.303 548 HG2 GLU 65 1HG GLU 65 8.351 36.860 19.425 549 HG3 GLU 65 2HG GLU 65 7.049 36.309 20.477 550 H TRP 66 H TRP 66 7.997 35.986 23.674 551 HA TRP 66 HA TRP 66 7.864 33.078 23.324 552 HD1 TRP 66 HD1 TRP 66 9.628 35.566 26.127 553 HE1 TRP 66 HE1 TRP 66 11.680 34.246 26.946 554 HE3 TRP 66 HE3 TRP 66 7.876 30.817 25.416 555 HZ2 TRP 66 HZ2 TRP 66 12.454 31.549 27.251 556 HZ3 TRP 66 HZ3 TRP 66 9.335 28.922 25.996 557 HH2 TRP 66 HH2 TRP 66 11.576 29.283 26.894 558 HB2 TRP 66 1HB TRP 66 7.127 34.880 25.633 559 HB3 TRP 66 2HB TRP 66 6.740 33.162 25.595 560 H ILE 67 H ILE 67 6.285 32.447 22.004 561 HA ILE 67 HA ILE 67 3.726 33.891 22.057 562 HB ILE 67 HB ILE 67 3.238 32.780 19.915 563 HG12 ILE 67 1HG1 ILE 67 6.094 31.818 19.907 564 HG13 ILE 67 2HG1 ILE 67 4.773 30.799 20.467 565 HG21 ILE 67 1HG2 ILE 67 5.206 33.891 18.632 566 HG22 ILE 67 2HG2 ILE 67 4.109 34.892 19.581 567 HG23 ILE 67 3HG2 ILE 67 5.689 34.457 20.231 568 HD11 ILE 67 3HD1 ILE 67 5.130 31.957 17.717 569 HD12 ILE 67 1HD1 ILE 67 5.254 30.263 18.192 570 HD13 ILE 67 2HD1 ILE 67 3.694 31.086 18.253 571 H THR 68 H THR 68 1.746 32.670 21.999 572 HA THR 68 HA THR 68 1.963 30.174 23.527 573 HB THR 68 HB THR 68 -0.659 30.687 23.660 574 HG1 THR 68 HG1 THR 68 0.359 33.315 23.722 575 HG21 THR 68 3HG2 THR 68 0.794 30.432 25.587 576 HG22 THR 68 1HG2 THR 68 -0.219 31.860 25.790 577 HG23 THR 68 2HG2 THR 68 1.472 32.038 25.320 578 H THR 69 H THR 69 -0.048 28.691 23.104 579 HA THR 69 HA THR 69 0.254 27.516 20.607 580 HB THR 69 HB THR 69 -1.725 26.192 21.102 581 HG1 THR 69 HG1 THR 69 -2.864 26.778 23.130 582 HG21 THR 69 3HG2 THR 69 -0.299 26.689 23.709 583 HG22 THR 69 1HG2 THR 69 0.445 25.832 22.360 584 HG23 THR 69 2HG2 THR 69 -1.005 25.182 23.125 585 H ASP 70 H ASP 70 -2.202 29.809 21.726 586 HA ASP 70 HA ASP 70 -3.741 29.787 19.350 587 HB2 ASP 70 1HB ASP 70 -3.516 31.674 21.678 588 HB3 ASP 70 2HB ASP 70 -4.501 32.092 20.278 589 H ARG 71 H ARG 71 -0.685 31.043 20.022 590 HA ARG 71 HA ARG 71 -0.872 33.093 17.937 591 HE ARG 71 HE ARG 71 -0.678 36.542 21.016 592 HB2 ARG 71 1HB ARG 71 1.228 32.492 20.018 593 HB3 ARG 71 2HB ARG 71 1.474 33.656 18.724 594 HG2 ARG 71 1HG ARG 71 -0.789 34.644 19.640 595 HG3 ARG 71 2HG ARG 71 -0.281 33.814 21.113 596 HD2 ARG 71 1HD ARG 71 1.693 35.079 21.271 597 HD3 ARG 71 2HD ARG 71 1.562 35.643 19.606 598 HH11 ARG 71 1HH1 ARG 71 2.768 37.031 20.926 599 HH12 ARG 71 2HH1 ARG 71 2.682 38.667 21.490 600 HH21 ARG 71 1HH2 ARG 71 -0.804 38.695 21.760 601 HH22 ARG 71 2HH2 ARG 71 0.650 39.612 21.966 602 H ILE 72 H ILE 72 -0.285 29.891 18.097 603 HA ILE 72 HA ILE 72 1.898 29.898 16.141 604 HB ILE 72 HB ILE 72 0.633 27.588 17.620 605 HG12 ILE 72 1HG1 ILE 72 3.447 28.583 17.961 606 HG13 ILE 72 2HG1 ILE 72 2.124 29.331 18.849 607 HG21 ILE 72 1HG2 ILE 72 2.593 27.739 15.414 608 HG22 ILE 72 2HG2 ILE 72 2.947 26.599 16.711 609 HG23 ILE 72 3HG2 ILE 72 1.432 26.475 15.818 610 HD11 ILE 72 3HD1 ILE 72 1.659 26.731 19.379 611 HD12 ILE 72 1HD1 ILE 72 3.415 26.721 19.214 612 HD13 ILE 72 2HD1 ILE 72 2.645 27.789 20.388 613 H ASN 73 H ASN 73 1.687 29.052 14.095 614 HA ASN 73 HA ASN 73 -1.071 28.746 13.152 615 HB2 ASN 73 1HB ASN 73 0.600 30.409 12.115 616 HB3 ASN 73 2HB ASN 73 1.363 28.995 11.395 617 HD21 ASN 73 2HD2 ASN 73 0.646 30.531 9.543 618 HD22 ASN 73 1HD2 ASN 73 -0.870 30.130 8.818 619 H LEU 74 H LEU 74 -1.706 26.679 13.307 620 HA LEU 74 HA LEU 74 0.159 24.535 12.627 621 HG LEU 74 HG LEU 74 -0.538 25.099 15.312 622 HB2 LEU 74 1HB LEU 74 -2.593 24.517 13.850 623 HB3 LEU 74 2HB LEU 74 -1.693 23.057 13.444 624 HD11 LEU 74 1HD1 LEU 74 -2.189 24.737 16.758 625 HD12 LEU 74 2HD1 LEU 74 -1.576 23.090 16.901 626 HD13 LEU 74 3HD1 LEU 74 -2.879 23.450 15.768 627 HD21 LEU 74 3HD2 LEU 74 0.938 23.455 15.898 628 HD22 LEU 74 1HD2 LEU 74 0.641 23.011 14.217 629 HD23 LEU 74 2HD2 LEU 74 -0.187 22.151 15.515 630 H ASP 75 H ASP 75 -1.104 26.381 10.642 631 HA ASP 75 HA ASP 75 -2.736 24.495 9.101 632 HB2 ASP 75 1HB ASP 75 -3.268 27.053 9.560 633 HB3 ASP 75 2HB ASP 75 -2.218 27.281 8.164 634 H LYS 76 H LYS 76 0.369 26.009 9.186 635 HA LYS 76 HA LYS 76 0.977 25.121 6.459 636 HB2 LYS 76 1HB LYS 76 2.016 27.213 8.251 637 HB3 LYS 76 2HB LYS 76 3.251 26.350 7.343 638 HG2 LYS 76 1HG LYS 76 2.649 27.278 5.390 639 HG3 LYS 76 2HG LYS 76 0.926 27.218 5.771 640 HD2 LYS 76 1HD LYS 76 1.579 29.093 7.498 641 HD3 LYS 76 2HD LYS 76 2.945 29.320 6.403 642 HE2 LYS 76 1HE LYS 76 0.011 29.503 5.743 643 HE3 LYS 76 2HE LYS 76 1.194 30.809 5.737 644 HZ1 LYS 76 3HZ LYS 76 0.719 28.726 3.759 645 HZ2 LYS 76 1HZ LYS 76 2.334 29.160 4.019 646 HZ3 LYS 76 2HZ LYS 76 1.209 30.331 3.545 647 H GLU 77 H GLU 77 2.717 23.748 6.009 648 HA GLU 77 HA GLU 77 3.086 21.565 7.656 649 HB2 GLU 77 1HB GLU 77 5.052 22.611 5.611 650 HB3 GLU 77 2HB GLU 77 4.978 20.968 6.232 651 HG2 GLU 77 1HG GLU 77 2.884 20.578 5.173 652 HG3 GLU 77 2HG GLU 77 2.724 22.278 4.737 653 H VAL 78 H VAL 78 5.012 20.807 8.780 654 HA VAL 78 HA VAL 78 6.404 23.016 10.146 655 HB VAL 78 HB VAL 78 5.776 20.243 11.170 656 HG11 VAL 78 1HG1 VAL 78 6.681 21.123 13.323 657 HG12 VAL 78 2HG1 VAL 78 7.894 20.921 12.057 658 HG13 VAL 78 3HG1 VAL 78 7.276 22.529 12.439 659 HG21 VAL 78 3HG2 VAL 78 3.781 21.307 11.452 660 HG22 VAL 78 1HG2 VAL 78 4.593 21.857 12.918 661 HG23 VAL 78 2HG2 VAL 78 4.515 22.909 11.505 662 H LEU 79 H LEU 79 8.604 22.962 10.377 663 HA LEU 79 HA LEU 79 10.005 20.987 8.726 664 HG LEU 79 HG LEU 79 11.675 23.880 7.294 665 HB2 LEU 79 1HB LEU 79 10.324 23.802 9.247 666 HB3 LEU 79 2HB LEU 79 11.817 22.934 9.599 667 HD11 LEU 79 1HD1 LEU 79 13.240 22.147 7.644 668 HD12 LEU 79 2HD1 LEU 79 12.367 21.727 6.171 669 HD13 LEU 79 3HD1 LEU 79 11.979 20.914 7.687 670 HD21 LEU 79 3HD2 LEU 79 9.925 21.680 6.414 671 HD22 LEU 79 1HD2 LEU 79 10.063 23.334 5.817 672 HD23 LEU 79 2HD2 LEU 79 9.128 22.997 7.275 673 H TYR 80 H TYR 80 11.125 19.404 9.638 674 HA TYR 80 HA TYR 80 11.901 19.689 12.467 675 HD1 TYR 80 HD1 TYR 80 11.113 17.716 14.539 676 HD2 TYR 80 HD2 TYR 80 8.645 18.060 11.090 677 HE1 TYR 80 HE1 TYR 80 9.131 17.907 15.984 678 HE2 TYR 80 HE2 TYR 80 6.657 18.254 12.525 679 HH TYR 80 HH TYR 80 6.689 17.514 15.819 680 HB2 TYR 80 1HB TYR 80 10.926 17.333 10.887 681 HB3 TYR 80 2HB TYR 80 11.933 17.083 12.308 682 HA PRO 81 HA PRO 81 16.134 19.132 11.457 683 HB2 PRO 81 1HB PRO 81 17.017 17.615 13.528 684 HB3 PRO 81 2HB PRO 81 16.587 19.321 13.701 685 HG2 PRO 81 1HG PRO 81 14.978 16.885 14.365 686 HG3 PRO 81 2HG PRO 81 15.176 18.383 15.294 687 HD2 PRO 81 1HD PRO 81 12.990 17.889 13.774 688 HD3 PRO 81 2HD PRO 81 13.632 19.525 14.018 689 H LYS 82 H LYS 82 17.829 17.520 11.002 690 HA LYS 82 HA LYS 82 16.648 14.997 10.048 691 HB2 LYS 82 1HB LYS 82 17.514 16.443 8.266 692 HB3 LYS 82 2HB LYS 82 19.089 16.478 9.048 693 HG2 LYS 82 1HG LYS 82 19.681 14.672 7.922 694 HG3 LYS 82 2HG LYS 82 18.378 13.763 8.691 695 HD2 LYS 82 1HD LYS 82 16.835 14.671 6.932 696 HD3 LYS 82 2HD LYS 82 18.256 15.332 6.119 697 HE2 LYS 82 1HE LYS 82 19.063 12.793 6.459 698 HE3 LYS 82 2HE LYS 82 17.322 12.537 6.356 699 HZ1 LYS 82 3HZ LYS 82 17.262 13.542 4.229 700 HZ2 LYS 82 1HZ LYS 82 18.542 12.436 4.197 701 HZ3 LYS 82 2HZ LYS 82 18.857 14.091 4.351 702 H LEU 83 H LEU 83 17.193 13.241 11.146 703 HA LEU 83 HA LEU 83 19.776 13.211 12.564 704 HG LEU 83 HG LEU 83 17.714 12.804 15.575 705 HB2 LEU 83 1HB LEU 83 17.070 12.231 13.290 706 HB3 LEU 83 2HB LEU 83 18.456 11.288 13.835 707 HD11 LEU 83 1HD1 LEU 83 20.244 12.377 14.890 708 HD12 LEU 83 2HD1 LEU 83 19.795 13.430 16.232 709 HD13 LEU 83 3HD1 LEU 83 20.204 14.126 14.664 710 HD21 LEU 83 3HD2 LEU 83 17.870 15.235 15.273 711 HD22 LEU 83 1HD2 LEU 83 16.674 14.511 14.198 712 HD23 LEU 83 2HD2 LEU 83 18.251 14.991 13.568 713 H LYS 84 H LYS 84 21.204 12.027 11.486 714 HA LYS 84 HA LYS 84 20.363 9.395 10.486 715 HB2 LYS 84 1HB LYS 84 21.723 11.590 8.997 716 HB3 LYS 84 2HB LYS 84 22.217 9.937 8.657 717 HG2 LYS 84 1HG LYS 84 19.373 10.911 8.516 718 HG3 LYS 84 2HG LYS 84 20.466 10.817 7.133 719 HD2 LYS 84 1HD LYS 84 20.764 8.353 7.787 720 HD3 LYS 84 2HD LYS 84 19.327 8.583 8.786 721 HE2 LYS 84 1HE LYS 84 18.532 7.742 6.739 722 HE3 LYS 84 2HE LYS 84 18.201 9.473 6.689 723 HZ1 LYS 84 3HZ LYS 84 19.329 9.555 4.802 724 HZ2 LYS 84 1HZ LYS 84 19.756 7.922 4.921 725 HZ3 LYS 84 2HZ LYS 84 20.737 9.105 5.625 726 H ALA 85 H ALA 85 21.297 8.408 12.287 727 HA ALA 85 HA ALA 85 24.161 8.802 12.729 728 HB1 ALA 85 1HB ALA 85 22.375 7.001 14.335 729 HB2 ALA 85 2HB ALA 85 23.891 7.766 14.813 730 HB3 ALA 85 3HB ALA 85 22.437 8.742 14.611 731 H THR 86 H THR 86 25.124 7.741 11.022 732 HA THR 86 HA THR 86 24.773 4.817 10.994 733 HB THR 86 HB THR 86 25.485 5.031 8.507 734 HG1 THR 86 HG1 THR 86 24.358 7.613 8.961 735 HG21 THR 86 3HG2 THR 86 22.715 6.025 9.109 736 HG22 THR 86 1HG2 THR 86 23.208 4.380 9.507 737 HG23 THR 86 2HG2 THR 86 23.242 4.930 7.832 738 H ASP 87 H ASP 87 26.581 3.707 11.342 739 HA ASP 87 HA ASP 87 29.164 4.951 10.699 740 HB2 ASP 87 1HB ASP 87 28.736 5.239 13.116 741 HB3 ASP 87 2HB ASP 87 28.544 3.495 13.279 742 H GLU 88 H GLU 88 27.697 1.919 11.877 743 HA GLU 88 HA GLU 88 29.588 0.436 10.186 744 HB2 GLU 88 1HB GLU 88 29.514 -0.075 12.640 745 HB3 GLU 88 2HB GLU 88 27.861 -0.634 12.421 746 HG2 GLU 88 1HG GLU 88 28.749 -2.282 10.748 747 HG3 GLU 88 2HG GLU 88 30.369 -1.816 11.265 748 H ASP 89 H ASP 89 28.191 1.085 8.345 749 HA ASP 89 HA ASP 89 25.846 -0.685 8.113 750 HB2 ASP 89 1HB ASP 89 25.321 1.751 8.035 751 HB3 ASP 89 2HB ASP 89 26.346 1.891 6.609 Start of MODEL 13 1 H1 GLY -2 H GLY -2 29.442 13.600 10.421 2 HA2 GLY -2 1HA GLY -2 30.605 11.507 10.735 3 HA3 GLY -2 2HA GLY -2 29.681 10.847 9.394 4 H SER -1 H SER -1 31.430 10.195 8.184 5 HA SER -1 HA SER -1 33.295 12.297 7.315 6 HG SER -1 HG SER -1 35.802 9.910 6.692 7 HB2 SER -1 1HB SER -1 34.310 10.288 8.364 8 HB3 SER -1 2HB SER -1 33.599 9.292 7.093 9 H HIS 0 H HIS 0 33.668 12.674 5.144 10 HA HIS 0 HA HIS 0 31.506 11.878 3.374 11 HD1 HIS 0 HD1 HIS 0 30.076 13.559 2.072 12 HD2 HIS 0 HD2 HIS 0 32.429 16.040 4.432 13 HE1 HIS 0 HE1 HIS 0 28.548 15.402 2.841 14 HB2 HIS 0 1HB HIS 0 33.671 13.945 3.281 15 HB3 HIS 0 2HB HIS 0 32.880 13.458 1.785 16 H MET 1 H MET 1 32.039 9.664 3.095 17 HA MET 1 HA MET 1 34.558 9.054 1.754 18 HB2 MET 1 1HB MET 1 33.983 6.725 2.092 19 HB3 MET 1 2HB MET 1 33.788 7.603 3.603 20 HG2 MET 1 1HG MET 1 31.409 7.634 3.352 21 HG3 MET 1 2HG MET 1 31.527 6.948 1.733 22 HE1 MET 1 3HE MET 1 30.766 4.523 1.462 23 HE2 MET 1 1HE MET 1 32.517 4.565 1.246 24 HE3 MET 1 2HE MET 1 31.775 3.269 2.185 25 H SER 2 H SER 2 31.141 9.304 1.123 26 HA SER 2 HA SER 2 31.673 8.706 -1.710 27 HG SER 2 HG SER 2 29.043 7.327 -2.617 28 HB2 SER 2 1HB SER 2 30.448 6.817 -1.140 29 HB3 SER 2 2HB SER 2 29.483 7.678 0.059 30 H HIS 3 H HIS 3 30.696 10.021 -3.201 31 HA HIS 3 HA HIS 3 28.916 12.132 -2.199 32 HD1 HIS 3 HD1 HIS 3 33.033 11.552 -2.738 33 HD2 HIS 3 HD2 HIS 3 31.229 13.079 -6.155 34 HE1 HIS 3 HE1 HIS 3 34.619 11.041 -4.620 35 HB2 HIS 3 1HB HIS 3 30.139 13.749 -3.699 36 HB3 HIS 3 2HB HIS 3 31.049 13.206 -2.292 37 H ASP 4 H ASP 4 27.914 9.955 -3.428 38 HA ASP 4 HA ASP 4 27.425 10.792 -6.208 39 HB2 ASP 4 1HB ASP 4 27.289 8.100 -4.863 40 HB3 ASP 4 2HB ASP 4 26.516 8.399 -6.417 41 H GLY 5 H GLY 5 25.844 12.346 -5.665 42 HA2 GLY 5 1HA GLY 5 23.247 11.800 -5.938 43 HA3 GLY 5 2HA GLY 5 23.471 11.467 -4.227 44 H LYS 6 H LYS 6 21.831 13.512 -5.535 45 HA LYS 6 HA LYS 6 23.092 15.905 -4.364 46 HB2 LYS 6 1HB LYS 6 21.627 17.198 -5.976 47 HB3 LYS 6 2HB LYS 6 22.956 16.301 -6.699 48 HG2 LYS 6 1HG LYS 6 21.530 14.672 -7.580 49 HG3 LYS 6 2HG LYS 6 20.194 15.147 -6.528 50 HD2 LYS 6 1HD LYS 6 19.718 17.045 -7.782 51 HD3 LYS 6 2HD LYS 6 21.322 17.081 -8.517 52 HE2 LYS 6 1HE LYS 6 20.704 14.919 -9.667 53 HE3 LYS 6 2HE LYS 6 19.055 15.190 -9.106 54 HZ1 LYS 6 3HZ LYS 6 19.721 16.003 -11.433 55 HZ2 LYS 6 1HZ LYS 6 20.477 17.280 -10.621 56 HZ3 LYS 6 2HZ LYS 6 18.812 17.036 -10.450 57 H GLU 7 H GLU 7 21.548 14.042 -2.888 58 HA GLU 7 HA GLU 7 18.981 15.407 -2.505 59 HB2 GLU 7 1HB GLU 7 19.171 12.864 -2.761 60 HB3 GLU 7 2HB GLU 7 19.861 12.868 -1.145 61 HG2 GLU 7 1HG GLU 7 17.624 12.414 -0.774 62 HG3 GLU 7 2HG GLU 7 17.745 14.145 -0.460 63 H GLU 8 H GLU 8 18.432 16.409 -0.618 64 HA GLU 8 HA GLU 8 20.519 16.557 1.457 65 HB2 GLU 8 1HB GLU 8 18.996 18.702 0.077 66 HB3 GLU 8 2HB GLU 8 19.287 18.913 1.797 67 HG2 GLU 8 1HG GLU 8 21.723 18.509 1.322 68 HG3 GLU 8 2HG GLU 8 21.321 18.613 -0.391 69 HA PRO 9 HA PRO 9 17.529 15.494 4.484 70 HB2 PRO 9 1HB PRO 9 18.217 17.084 6.574 71 HB3 PRO 9 2HB PRO 9 19.188 15.700 6.060 72 HG2 PRO 9 1HG PRO 9 19.572 18.608 5.466 73 HG3 PRO 9 2HG PRO 9 20.780 17.389 5.912 74 HD2 PRO 9 1HD PRO 9 20.399 18.193 3.355 75 HD3 PRO 9 2HD PRO 9 20.900 16.542 3.772 76 H GLY 10 H GLY 10 16.175 16.775 6.355 77 HA2 GLY 10 1HA GLY 10 14.880 18.782 6.774 78 HA3 GLY 10 2HA GLY 10 14.899 19.089 5.044 79 H ILE 11 H ILE 11 13.233 17.640 7.635 80 HA ILE 11 HA ILE 11 11.473 16.138 5.835 81 HB ILE 11 HB ILE 11 11.568 16.164 8.855 82 HG12 ILE 11 1HG1 ILE 11 12.179 13.660 7.503 83 HG13 ILE 11 2HG1 ILE 11 13.301 14.940 7.054 84 HG21 ILE 11 1HG2 ILE 11 10.168 14.031 8.466 85 HG22 ILE 11 2HG2 ILE 11 9.374 15.600 8.346 86 HG23 ILE 11 3HG2 ILE 11 9.832 14.730 6.882 87 HD11 ILE 11 3HD1 ILE 11 12.753 14.736 9.925 88 HD12 ILE 11 1HD1 ILE 11 13.571 13.344 9.215 89 HD13 ILE 11 2HD1 ILE 11 14.278 14.953 9.066 90 H ALA 12 H ALA 12 9.288 16.546 5.670 91 HA ALA 12 HA ALA 12 8.313 18.999 6.981 92 HB1 ALA 12 1HB ALA 12 8.752 19.556 4.694 93 HB2 ALA 12 2HB ALA 12 7.878 18.133 4.128 94 HB3 ALA 12 3HB ALA 12 7.005 19.450 4.911 95 H LYS 13 H LYS 13 6.697 18.541 8.309 96 HA LYS 13 HA LYS 13 4.640 16.640 7.454 97 HB2 LYS 13 1HB LYS 13 4.646 15.434 9.497 98 HB3 LYS 13 2HB LYS 13 6.322 15.506 8.970 99 HG2 LYS 13 1HG LYS 13 6.647 17.436 10.517 100 HG3 LYS 13 2HG LYS 13 5.017 17.146 11.129 101 HD2 LYS 13 1HD LYS 13 6.449 16.029 12.627 102 HD3 LYS 13 2HD LYS 13 5.784 14.763 11.591 103 HE2 LYS 13 1HE LYS 13 7.780 14.348 10.589 104 HE3 LYS 13 2HE LYS 13 8.313 16.025 10.710 105 HZ1 LYS 13 3HZ LYS 13 8.377 15.444 13.243 106 HZ2 LYS 13 1HZ LYS 13 9.669 15.032 12.231 107 HZ3 LYS 13 2HZ LYS 13 8.533 13.859 12.673 108 H LYS 14 H LYS 14 2.584 17.033 8.286 109 HA LYS 14 HA LYS 14 2.245 19.711 9.428 110 HB2 LYS 14 1HB LYS 14 0.440 17.874 7.879 111 HB3 LYS 14 2HB LYS 14 -0.219 19.220 8.799 112 HG2 LYS 14 1HG LYS 14 2.007 19.997 7.095 113 HG3 LYS 14 2HG LYS 14 0.652 19.308 6.198 114 HD2 LYS 14 1HD LYS 14 -0.662 20.949 7.899 115 HD3 LYS 14 2HD LYS 14 0.848 21.839 7.696 116 HE2 LYS 14 1HE LYS 14 0.351 22.417 5.591 117 HE3 LYS 14 2HE LYS 14 -0.233 20.802 5.192 118 HZ1 LYS 14 3HZ LYS 14 -1.867 22.575 6.881 119 HZ2 LYS 14 1HZ LYS 14 -2.357 21.306 5.875 120 HZ3 LYS 14 2HZ LYS 14 -1.871 22.779 5.202 121 H ILE 15 H ILE 15 2.073 19.794 11.565 122 HA ILE 15 HA ILE 15 0.771 17.562 12.971 123 HB ILE 15 HB ILE 15 1.872 18.417 15.009 124 HG12 ILE 15 1HG1 ILE 15 3.676 20.148 13.399 125 HG13 ILE 15 2HG1 ILE 15 2.076 20.783 13.767 126 HG21 ILE 15 1HG2 ILE 15 3.058 16.680 14.039 127 HG22 ILE 15 2HG2 ILE 15 3.493 17.633 12.621 128 HG23 ILE 15 3HG2 ILE 15 4.276 17.949 14.169 129 HD11 ILE 15 3HD1 ILE 15 3.619 19.624 16.008 130 HD12 ILE 15 1HD1 ILE 15 4.168 21.165 15.348 131 HD13 ILE 15 2HD1 ILE 15 2.526 21.008 15.973 132 H ASN 16 H ASN 16 -0.582 18.098 14.830 133 HA ASN 16 HA ASN 16 -2.007 20.648 14.441 134 HB2 ASN 16 1HB ASN 16 -2.975 17.872 14.916 135 HB3 ASN 16 2HB ASN 16 -3.880 19.186 15.662 136 HD21 ASN 16 2HD2 ASN 16 -3.770 17.266 13.054 137 HD22 ASN 16 1HD2 ASN 16 -4.541 18.283 11.888 138 H SER 17 H SER 17 -0.381 18.573 16.654 139 HA SER 17 HA SER 17 -1.306 20.130 18.958 140 HG SER 17 HG SER 17 -2.299 17.593 19.339 141 HB2 SER 17 1HB SER 17 0.505 17.722 19.065 142 HB3 SER 17 2HB SER 17 -0.514 18.382 20.344 143 H VAL 18 H VAL 18 0.077 21.296 20.256 144 HA VAL 18 HA VAL 18 2.526 22.179 18.989 145 HB VAL 18 HB VAL 18 2.626 23.878 20.706 146 HG11 VAL 18 1HG1 VAL 18 0.456 24.991 20.325 147 HG12 VAL 18 2HG1 VAL 18 1.148 24.324 18.845 148 HG13 VAL 18 3HG1 VAL 18 -0.175 23.486 19.658 149 HG21 VAL 18 3HG2 VAL 18 0.488 23.821 22.297 150 HG22 VAL 18 1HG2 VAL 18 0.701 22.085 22.069 151 HG23 VAL 18 2HG2 VAL 18 2.014 23.055 22.736 152 H ASP 19 H ASP 19 1.660 19.811 21.215 153 HA ASP 19 HA ASP 19 3.812 19.870 23.023 154 HB2 ASP 19 1HB ASP 19 2.021 17.647 22.054 155 HB3 ASP 19 2HB ASP 19 3.290 17.370 23.244 156 H ASP 20 H ASP 20 3.469 18.477 19.814 157 HA ASP 20 HA ASP 20 6.044 17.170 19.924 158 HB2 ASP 20 1HB ASP 20 3.871 17.425 17.880 159 HB3 ASP 20 2HB ASP 20 5.479 16.920 17.367 160 H ILE 21 H ILE 21 6.677 19.624 20.543 161 HA ILE 21 HA ILE 21 7.832 20.748 18.078 162 HB ILE 21 HB ILE 21 6.752 22.298 20.434 163 HG12 ILE 21 1HG1 ILE 21 5.919 22.328 17.526 164 HG13 ILE 21 2HG1 ILE 21 5.075 21.443 18.792 165 HG21 ILE 21 1HG2 ILE 21 8.676 23.462 19.779 166 HG22 ILE 21 2HG2 ILE 21 8.393 23.144 18.069 167 HG23 ILE 21 3HG2 ILE 21 7.358 24.277 18.938 168 HD11 ILE 21 3HD1 ILE 21 3.914 23.483 18.381 169 HD12 ILE 21 1HD1 ILE 21 4.695 23.602 19.957 170 HD13 ILE 21 2HD1 ILE 21 5.395 24.422 18.561 171 H ILE 22 H ILE 22 9.954 21.302 18.148 172 HA ILE 22 HA ILE 22 11.335 21.107 20.739 173 HB ILE 22 HB ILE 22 13.273 20.081 19.489 174 HG12 ILE 22 1HG1 ILE 22 11.241 19.261 17.433 175 HG13 ILE 22 2HG1 ILE 22 12.173 20.740 17.229 176 HG21 ILE 22 1HG2 ILE 22 11.062 18.137 19.257 177 HG22 ILE 22 2HG2 ILE 22 12.594 18.019 20.122 178 HG23 ILE 22 3HG2 ILE 22 11.254 18.927 20.822 179 HD11 ILE 22 3HD1 ILE 22 13.139 17.909 17.290 180 HD12 ILE 22 1HD1 ILE 22 13.351 19.129 16.034 181 HD13 ILE 22 2HD1 ILE 22 14.232 19.268 17.557 182 H ILE 23 H ILE 23 13.798 21.802 20.237 183 HA ILE 23 HA ILE 23 13.641 24.572 19.591 184 HB ILE 23 HB ILE 23 16.042 22.817 20.113 185 HG12 ILE 23 1HG1 ILE 23 15.928 24.373 22.255 186 HG13 ILE 23 2HG1 ILE 23 14.227 24.471 21.814 187 HG21 ILE 23 1HG2 ILE 23 16.883 24.633 18.890 188 HG22 ILE 23 2HG2 ILE 23 15.798 25.777 19.679 189 HG23 ILE 23 3HG2 ILE 23 17.141 25.071 20.578 190 HD11 ILE 23 3HD1 ILE 23 15.623 21.839 22.109 191 HD12 ILE 23 1HD1 ILE 23 14.925 22.686 23.489 192 HD13 ILE 23 2HD1 ILE 23 13.895 22.187 22.147 193 H LYS 24 H LYS 24 14.492 21.707 17.832 194 HA LYS 24 HA LYS 24 15.697 23.227 15.656 195 HB2 LYS 24 1HB LYS 24 15.345 20.282 16.185 196 HB3 LYS 24 2HB LYS 24 15.897 20.887 14.629 197 HG2 LYS 24 1HG LYS 24 17.925 20.594 15.548 198 HG3 LYS 24 2HG LYS 24 17.602 22.180 16.252 199 HD2 LYS 24 1HD LYS 24 16.797 21.144 18.291 200 HD3 LYS 24 2HD LYS 24 17.002 19.539 17.586 201 HE2 LYS 24 1HE LYS 24 19.337 19.696 17.625 202 HE3 LYS 24 2HE LYS 24 19.305 21.448 17.818 203 HZ1 LYS 24 3HZ LYS 24 19.725 20.881 19.948 204 HZ2 LYS 24 1HZ LYS 24 19.010 19.353 19.819 205 HZ3 LYS 24 2HZ LYS 24 18.042 20.725 20.023 206 H CYS 25 H CYS 25 12.659 22.745 16.598 207 HA CYS 25 HA CYS 25 11.525 22.015 14.021 208 HG CYS 25 HG CYS 25 8.201 23.607 15.645 209 HB2 CYS 25 1HB CYS 25 10.365 21.054 15.846 210 HB3 CYS 25 2HB CYS 25 10.340 22.572 16.734 211 H GLN 26 H GLN 26 10.482 23.380 12.648 212 HA GLN 26 HA GLN 26 10.442 26.233 13.384 213 HB2 GLN 26 1HB GLN 26 11.139 24.974 10.729 214 HB3 GLN 26 2HB GLN 26 10.833 26.693 10.942 215 HG2 GLN 26 1HG GLN 26 12.685 26.568 12.732 216 HG3 GLN 26 2HG GLN 26 13.111 25.045 11.953 217 HE21 GLN 26 2HE2 GLN 26 14.458 25.134 10.301 218 HE22 GLN 26 1HE2 GLN 26 14.852 26.547 9.389 219 H CYS 27 H CYS 27 8.546 27.241 13.186 220 HA CYS 27 HA CYS 27 6.508 26.135 11.399 221 HG CYS 27 HG CYS 27 7.523 27.115 15.099 222 HB2 CYS 27 1HB CYS 27 4.789 26.455 13.200 223 HB3 CYS 27 2HB CYS 27 5.931 25.153 13.509 224 H TRP 28 H TRP 28 4.599 27.664 11.229 225 HA TRP 28 HA TRP 28 5.651 30.353 10.861 226 HD1 TRP 28 HD1 TRP 28 4.925 27.269 8.764 227 HE1 TRP 28 HE1 TRP 28 6.114 27.507 6.494 228 HE3 TRP 28 HE3 TRP 28 4.351 32.302 8.072 229 HZ2 TRP 28 HZ2 TRP 28 6.728 29.558 4.653 230 HZ3 TRP 28 HZ3 TRP 28 5.269 33.323 6.030 231 HH2 TRP 28 HH2 TRP 28 6.433 31.978 4.358 232 HB2 TRP 28 1HB TRP 28 3.102 29.006 9.963 233 HB3 TRP 28 2HB TRP 28 3.427 30.716 9.697 234 H VAL 29 H VAL 29 4.989 32.138 11.945 235 HA VAL 29 HA VAL 29 3.056 31.717 14.130 236 HB VAL 29 HB VAL 29 5.242 33.798 14.026 237 HG11 VAL 29 1HG1 VAL 29 3.250 34.318 15.416 238 HG12 VAL 29 2HG1 VAL 29 3.567 32.852 16.348 239 HG13 VAL 29 3HG1 VAL 29 4.741 34.169 16.346 240 HG21 VAL 29 3HG2 VAL 29 5.206 31.201 15.562 241 HG22 VAL 29 1HG2 VAL 29 6.153 31.503 14.104 242 HG23 VAL 29 2HG2 VAL 29 6.484 32.417 15.576 243 H GLN 30 H GLN 30 1.414 33.169 14.442 244 HA GLN 30 HA GLN 30 0.743 34.835 12.177 245 HB2 GLN 30 1HB GLN 30 -0.812 33.331 13.703 246 HB3 GLN 30 2HB GLN 30 -0.897 34.797 14.671 247 HG2 GLN 30 1HG GLN 30 -1.542 35.978 12.501 248 HG3 GLN 30 2HG GLN 30 -1.811 34.361 11.852 249 HE21 GLN 30 2HE2 GLN 30 -3.533 33.151 12.586 250 HE22 GLN 30 1HE2 GLN 30 -4.809 33.823 13.536 251 H LYS 31 H LYS 31 1.435 36.852 12.012 252 HA LYS 31 HA LYS 31 1.393 38.579 14.369 253 HB2 LYS 31 1HB LYS 31 3.765 37.490 13.560 254 HB3 LYS 31 2HB LYS 31 3.749 38.997 12.654 255 HG2 LYS 31 1HG LYS 31 4.903 39.303 14.747 256 HG3 LYS 31 2HG LYS 31 3.402 40.233 14.749 257 HD2 LYS 31 1HD LYS 31 2.322 38.629 16.145 258 HD3 LYS 31 2HD LYS 31 3.657 37.488 15.966 259 HE2 LYS 31 1HE LYS 31 4.371 40.142 17.029 260 HE3 LYS 31 2HE LYS 31 3.355 39.150 18.074 261 HZ1 LYS 31 3HZ LYS 31 6.054 38.536 17.032 262 HZ2 LYS 31 1HZ LYS 31 5.044 37.331 17.657 263 HZ3 LYS 31 2HZ LYS 31 5.543 38.612 18.642 264 H ASN 32 H ASN 32 0.756 40.626 13.941 265 HA ASN 32 HA ASN 32 -0.215 42.337 12.793 266 HB2 ASN 32 1HB ASN 32 2.088 41.609 10.991 267 HB3 ASN 32 2HB ASN 32 1.020 42.962 10.630 268 HD21 ASN 32 2HD2 ASN 32 0.732 44.529 12.461 269 HD22 ASN 32 1HD2 ASN 32 2.143 44.933 13.372 270 H ASP 33 H ASP 33 -1.730 40.154 12.565 271 HA ASP 33 HA ASP 33 -3.307 39.079 11.320 272 HB2 ASP 33 1HB ASP 33 -3.069 41.748 9.956 273 HB3 ASP 33 2HB ASP 33 -4.193 40.529 9.362 274 H GLU 34 H GLU 34 -0.476 38.630 10.641 275 HA GLU 34 HA GLU 34 -0.922 37.466 7.992 276 HB2 GLU 34 1HB GLU 34 1.355 39.273 8.772 277 HB3 GLU 34 2HB GLU 34 1.515 38.106 7.467 278 HG2 GLU 34 1HG GLU 34 -0.763 40.033 7.472 279 HG3 GLU 34 2HG GLU 34 0.837 40.550 6.941 280 H GLU 35 H GLU 35 1.130 36.040 7.459 281 HA GLU 35 HA GLU 35 1.860 34.570 9.906 282 HB2 GLU 35 1HB GLU 35 1.813 32.496 8.480 283 HB3 GLU 35 2HB GLU 35 0.242 33.223 8.790 284 HG2 GLU 35 1HG GLU 35 1.200 34.383 6.418 285 HG3 GLU 35 2HG GLU 35 1.513 32.653 6.297 286 H ARG 36 H ARG 36 3.972 34.329 10.218 287 HA ARG 36 HA ARG 36 5.771 34.491 7.895 288 HE ARG 36 HE ARG 36 5.720 40.135 9.150 289 HB2 ARG 36 1HB ARG 36 6.107 35.842 10.576 290 HB3 ARG 36 2HB ARG 36 7.389 35.705 9.380 291 HG2 ARG 36 1HG ARG 36 5.915 36.931 7.778 292 HG3 ARG 36 2HG ARG 36 4.795 37.203 9.115 293 HD2 ARG 36 1HD ARG 36 6.539 38.378 10.349 294 HD3 ARG 36 2HD ARG 36 7.683 38.073 9.042 295 HH11 ARG 36 1HH1 ARG 36 7.414 38.003 6.981 296 HH12 ARG 36 2HH1 ARG 36 7.259 39.057 5.615 297 HH21 ARG 36 1HH2 ARG 36 5.509 41.531 7.359 298 HH22 ARG 36 2HH2 ARG 36 6.175 41.064 5.831 299 H LEU 37 H LEU 37 7.638 33.239 7.986 300 HA LEU 37 HA LEU 37 7.441 30.850 9.518 301 HG LEU 37 HG LEU 37 9.757 29.551 9.388 302 HB2 LEU 37 1HB LEU 37 8.437 31.069 7.225 303 HB3 LEU 37 2HB LEU 37 9.831 31.841 7.977 304 HD11 LEU 37 1HD1 LEU 37 7.846 28.669 8.155 305 HD12 LEU 37 2HD1 LEU 37 9.290 27.696 7.877 306 HD13 LEU 37 3HD1 LEU 37 8.740 28.830 6.643 307 HD21 LEU 37 3HD2 LEU 37 11.727 29.118 8.368 308 HD22 LEU 37 1HD2 LEU 37 11.478 30.732 7.704 309 HD23 LEU 37 2HD2 LEU 37 11.057 29.311 6.747 310 H ALA 38 H ALA 38 8.206 30.406 11.476 311 HA ALA 38 HA ALA 38 10.386 32.061 12.556 312 HB1 ALA 38 1HB ALA 38 8.167 31.122 14.330 313 HB2 ALA 38 2HB ALA 38 9.309 32.444 14.571 314 HB3 ALA 38 3HB ALA 38 8.001 32.612 13.400 315 H GLU 39 H GLU 39 11.920 30.998 13.721 316 HA GLU 39 HA GLU 39 11.702 28.075 13.776 317 HB2 GLU 39 1HB GLU 39 13.654 28.831 12.625 318 HB3 GLU 39 2HB GLU 39 14.068 29.940 13.925 319 HG2 GLU 39 1HG GLU 39 14.623 28.125 15.383 320 HG3 GLU 39 2HG GLU 39 14.031 26.947 14.213 321 H ILE 40 H ILE 40 11.505 26.984 15.623 322 HA ILE 40 HA ILE 40 11.033 28.287 18.073 323 HB ILE 40 HB ILE 40 11.693 25.378 17.595 324 HG12 ILE 40 1HG1 ILE 40 9.722 26.203 16.333 325 HG13 ILE 40 2HG1 ILE 40 9.290 25.020 17.563 326 HG21 ILE 40 1HG2 ILE 40 11.980 25.691 19.882 327 HG22 ILE 40 2HG2 ILE 40 10.676 26.873 19.982 328 HG23 ILE 40 3HG2 ILE 40 10.302 25.165 19.751 329 HD11 ILE 40 3HD1 ILE 40 9.174 27.731 18.571 330 HD12 ILE 40 1HD1 ILE 40 8.128 27.486 17.173 331 HD13 ILE 40 2HD1 ILE 40 7.954 26.458 18.595 332 H LEU 41 H LEU 41 12.266 28.559 19.894 333 HA LEU 41 HA LEU 41 15.145 28.007 19.597 334 HG LEU 41 HG LEU 41 14.336 30.694 18.567 335 HB2 LEU 41 1HB LEU 41 13.675 30.286 20.879 336 HB3 LEU 41 2HB LEU 41 15.345 29.916 21.303 337 HD11 LEU 41 1HD1 LEU 41 15.689 32.176 20.780 338 HD12 LEU 41 2HD1 LEU 41 14.337 32.669 19.760 339 HD13 LEU 41 3HD1 LEU 41 15.973 32.639 19.101 340 HD21 LEU 41 3HD2 LEU 41 16.853 29.514 19.514 341 HD22 LEU 41 1HD2 LEU 41 17.036 30.947 18.502 342 HD23 LEU 41 2HD2 LEU 41 16.148 29.548 17.897 343 H SER 42 H SER 42 12.471 28.202 21.914 344 HA SER 42 HA SER 42 13.583 25.994 23.411 345 HG SER 42 HG SER 42 15.219 26.507 24.826 346 HB2 SER 42 1HB SER 42 14.268 28.565 24.230 347 HB3 SER 42 2HB SER 42 12.931 28.121 25.289 348 H ILE 43 H ILE 43 12.106 25.562 25.397 349 HA ILE 43 HA ILE 43 9.316 26.178 24.682 350 HB ILE 43 HB ILE 43 10.311 23.506 25.679 351 HG12 ILE 43 1HG1 ILE 43 9.230 24.204 22.944 352 HG13 ILE 43 2HG1 ILE 43 10.946 24.070 23.311 353 HG21 ILE 43 1HG2 ILE 43 8.116 23.798 26.468 354 HG22 ILE 43 2HG2 ILE 43 7.589 24.554 24.965 355 HG23 ILE 43 3HG2 ILE 43 7.953 22.829 25.004 356 HD11 ILE 43 3HD1 ILE 43 10.581 21.986 22.513 357 HD12 ILE 43 1HD1 ILE 43 10.180 21.699 24.206 358 HD13 ILE 43 2HD1 ILE 43 8.894 21.961 23.027 359 H ASN 44 H ASN 44 7.868 26.416 26.376 360 HA ASN 44 HA ASN 44 8.904 26.179 29.104 361 HB2 ASN 44 1HB ASN 44 9.325 28.490 28.560 362 HB3 ASN 44 2HB ASN 44 7.697 28.685 27.918 363 HD21 ASN 44 2HD2 ASN 44 7.297 30.394 29.330 364 HD22 ASN 44 1HD2 ASN 44 6.993 30.136 31.011 365 H THR 45 H THR 45 7.539 24.572 29.703 366 HA THR 45 HA THR 45 4.667 24.910 29.223 367 HB THR 45 HB THR 45 4.551 22.537 30.155 368 HG1 THR 45 HG1 THR 45 6.386 21.882 30.981 369 HG21 THR 45 3HG2 THR 45 5.147 23.511 27.593 370 HG22 THR 45 1HG2 THR 45 4.450 21.945 28.007 371 HG23 THR 45 2HG2 THR 45 6.197 22.115 27.831 372 H ARG 46 H ARG 46 5.682 26.675 31.070 373 HA ARG 46 HA ARG 46 5.029 25.555 33.698 374 HE ARG 46 HE ARG 46 6.206 31.336 32.993 375 HB2 ARG 46 1HB ARG 46 6.160 27.372 34.664 376 HB3 ARG 46 2HB ARG 46 7.134 26.947 33.263 377 HG2 ARG 46 1HG ARG 46 6.020 28.768 32.001 378 HG3 ARG 46 2HG ARG 46 5.192 29.234 33.489 379 HD2 ARG 46 1HD ARG 46 7.581 29.323 34.492 380 HD3 ARG 46 2HD ARG 46 8.103 29.396 32.809 381 HH11 ARG 46 1HH1 ARG 46 9.125 30.611 34.745 382 HH12 ARG 46 2HH1 ARG 46 9.460 32.267 35.131 383 HH21 ARG 46 1HH2 ARG 46 6.636 33.519 33.494 384 HH22 ARG 46 2HH2 ARG 46 8.043 33.920 34.419 385 H LYS 47 H LYS 47 3.248 26.590 31.324 386 HA LYS 47 HA LYS 47 1.316 27.901 33.090 387 HB2 LYS 47 1HB LYS 47 2.740 29.460 31.451 388 HB3 LYS 47 2HB LYS 47 1.503 28.946 30.311 389 HG2 LYS 47 1HG LYS 47 -0.145 30.100 31.361 390 HG3 LYS 47 2HG LYS 47 0.593 29.924 32.955 391 HD2 LYS 47 1HD LYS 47 2.417 31.500 32.049 392 HD3 LYS 47 2HD LYS 47 1.253 31.879 30.776 393 HE2 LYS 47 1HE LYS 47 0.710 32.122 33.733 394 HE3 LYS 47 2HE LYS 47 1.187 33.460 32.688 395 HZ1 LYS 47 3HZ LYS 47 -1.257 33.230 33.102 396 HZ2 LYS 47 1HZ LYS 47 -1.221 31.805 32.191 397 HZ3 LYS 47 2HZ LYS 47 -0.812 33.280 31.471 398 H ALA 48 H ALA 48 -0.846 28.163 31.777 399 HA ALA 48 HA ALA 48 -1.268 25.869 30.006 400 HB1 ALA 48 1HB ALA 48 -3.486 25.568 31.392 401 HB2 ALA 48 2HB ALA 48 -1.983 24.792 31.893 402 HB3 ALA 48 3HB ALA 48 -2.510 26.281 32.677 403 HA PRO 49 HA PRO 49 -1.800 25.519 28.224 404 HB2 PRO 49 1HB PRO 49 -1.287 26.609 25.791 405 HB3 PRO 49 2HB PRO 49 -2.845 25.885 26.210 406 HG2 PRO 49 1HG PRO 49 -2.045 28.770 26.171 407 HG3 PRO 49 2HG PRO 49 -3.541 28.016 25.590 408 HD2 PRO 49 1HD PRO 49 -3.383 29.291 27.974 409 HD3 PRO 49 2HD PRO 49 -4.452 27.900 27.704 410 HA PRO 50 HA PRO 50 2.421 26.641 28.729 411 HB2 PRO 50 1HB PRO 50 3.665 25.112 26.862 412 HB3 PRO 50 2HB PRO 50 2.958 24.442 28.337 413 HG2 PRO 50 1HG PRO 50 1.832 24.524 25.565 414 HG3 PRO 50 2HG PRO 50 1.818 23.195 26.739 415 HD2 PRO 50 1HD PRO 50 -0.329 24.790 26.319 416 HD3 PRO 50 2HD PRO 50 0.034 24.075 27.903 417 H LYS 51 H LYS 51 4.313 27.606 27.693 418 HA LYS 51 HA LYS 51 3.584 29.148 25.290 419 HB2 LYS 51 1HB LYS 51 5.196 29.898 27.717 420 HB3 LYS 51 2HB LYS 51 5.355 30.782 26.206 421 HG2 LYS 51 1HG LYS 51 3.087 31.480 26.276 422 HG3 LYS 51 2HG LYS 51 2.729 30.386 27.615 423 HD2 LYS 51 1HD LYS 51 3.886 31.696 29.154 424 HD3 LYS 51 2HD LYS 51 4.813 32.521 27.898 425 HE2 LYS 51 1HE LYS 51 2.354 33.276 27.176 426 HE3 LYS 51 2HE LYS 51 2.074 33.040 28.901 427 HZ1 LYS 51 3HZ LYS 51 3.033 34.981 29.289 428 HZ2 LYS 51 1HZ LYS 51 3.287 35.213 27.633 429 HZ3 LYS 51 2HZ LYS 51 4.471 34.453 28.571 430 H PHE 52 H PHE 52 5.406 29.794 23.907 431 HA PHE 52 HA PHE 52 7.743 28.040 24.075 432 HD1 PHE 52 HD1 PHE 52 4.063 27.580 22.922 433 HD2 PHE 52 HD2 PHE 52 7.567 25.209 22.454 434 HE1 PHE 52 HE1 PHE 52 2.792 25.578 23.579 435 HE2 PHE 52 HE2 PHE 52 6.301 23.203 23.108 436 HZ PHE 52 HZ PHE 52 3.910 23.386 23.671 437 HB2 PHE 52 1HB PHE 52 6.050 28.339 21.585 438 HB3 PHE 52 2HB PHE 52 7.554 27.430 21.707 439 H TYR 53 H TYR 53 9.576 28.787 22.918 440 HA TYR 53 HA TYR 53 9.518 31.681 22.456 441 HD1 TYR 53 HD1 TYR 53 10.227 33.099 23.785 442 HD2 TYR 53 HD2 TYR 53 13.923 31.446 22.479 443 HE1 TYR 53 HE1 TYR 53 11.268 35.322 23.938 444 HE2 TYR 53 HE2 TYR 53 14.975 33.664 22.629 445 HH TYR 53 HH TYR 53 14.176 35.974 24.240 446 HB2 TYR 53 1HB TYR 53 11.188 30.395 24.034 447 HB3 TYR 53 2HB TYR 53 12.051 30.089 22.531 448 H VAL 54 H VAL 54 9.337 32.349 20.432 449 HA VAL 54 HA VAL 54 10.448 30.669 18.280 450 HB VAL 54 HB VAL 54 8.856 31.896 16.776 451 HG11 VAL 54 1HG1 VAL 54 7.325 30.494 18.936 452 HG12 VAL 54 2HG1 VAL 54 7.101 30.426 17.187 453 HG13 VAL 54 3HG1 VAL 54 8.482 29.620 17.932 454 HG21 VAL 54 3HG2 VAL 54 7.764 32.878 19.411 455 HG22 VAL 54 1HG2 VAL 54 8.441 33.858 18.110 456 HG23 VAL 54 2HG2 VAL 54 6.919 32.999 17.868 457 H HIS 55 H HIS 55 11.455 31.726 16.492 458 HA HIS 55 HA HIS 55 12.286 34.501 16.963 459 HD1 HIS 55 HD1 HIS 55 14.195 35.863 15.993 460 HD2 HIS 55 HD2 HIS 55 16.392 32.428 15.196 461 HE1 HIS 55 HE1 HIS 55 16.088 36.604 14.512 462 HB2 HIS 55 1HB HIS 55 14.178 33.382 17.777 463 HB3 HIS 55 2HB HIS 55 14.065 32.111 16.563 464 H TYR 56 H TYR 56 11.655 35.629 15.256 465 HA TYR 56 HA TYR 56 10.892 34.522 12.792 466 HD1 TYR 56 HD2 TYR 56 8.693 35.976 11.733 467 HD2 TYR 56 HD1 TYR 56 10.087 37.513 15.448 468 HE1 TYR 56 HE2 TYR 56 6.374 36.119 12.538 469 HE2 TYR 56 HE1 TYR 56 7.771 37.659 16.263 470 HH TYR 56 HH TYR 56 5.227 36.111 14.856 471 HB2 TYR 56 1HB TYR 56 11.571 37.350 13.599 472 HB3 TYR 56 2HB TYR 56 10.985 36.932 11.993 473 H VAL 57 H VAL 57 12.270 33.466 11.513 474 HA VAL 57 HA VAL 57 15.041 33.871 11.380 475 HB VAL 57 HB VAL 57 13.302 32.695 9.209 476 HG11 VAL 57 1HG1 VAL 57 15.342 31.390 8.689 477 HG12 VAL 57 2HG1 VAL 57 15.552 33.126 8.455 478 HG13 VAL 57 3HG1 VAL 57 16.219 32.341 9.887 479 HG21 VAL 57 3HG2 VAL 57 13.847 31.770 11.888 480 HG22 VAL 57 1HG2 VAL 57 12.761 31.105 10.668 481 HG23 VAL 57 2HG2 VAL 57 14.460 30.635 10.686 482 H ASN 58 H ASN 58 12.390 35.320 9.610 483 HA ASN 58 HA ASN 58 14.012 36.527 7.592 484 HB2 ASN 58 1HB ASN 58 11.193 37.131 8.511 485 HB3 ASN 58 2HB ASN 58 11.957 37.858 7.100 486 HD21 ASN 58 2HD2 ASN 58 10.383 35.106 8.387 487 HD22 ASN 58 1HD2 ASN 58 10.366 34.160 6.941 488 H TYR 59 H TYR 59 13.174 37.324 10.835 489 HA TYR 59 HA TYR 59 14.204 40.057 10.478 490 HD1 TYR 59 HD1 TYR 59 10.992 38.594 10.373 491 HD2 TYR 59 HD2 TYR 59 12.123 42.334 12.058 492 HE1 TYR 59 HE1 TYR 59 9.169 39.693 9.142 493 HE2 TYR 59 HE2 TYR 59 10.302 43.443 10.832 494 HH TYR 59 HH TYR 59 8.157 42.871 9.806 495 HB2 TYR 59 1HB TYR 59 12.392 38.845 12.559 496 HB3 TYR 59 2HB TYR 59 13.177 40.402 12.797 497 H ASN 60 H ASN 60 15.088 40.769 12.859 498 HA ASN 60 HA ASN 60 17.480 39.177 13.177 499 HB2 ASN 60 1HB ASN 60 16.566 41.871 14.063 500 HB3 ASN 60 2HB ASN 60 17.822 41.082 15.013 501 HD21 ASN 60 2HD2 ASN 60 17.041 42.677 12.083 502 HD22 ASN 60 1HD2 ASN 60 18.631 42.692 11.407 503 H LYS 61 H LYS 61 18.287 38.943 15.542 504 HA LYS 61 HA LYS 61 16.551 37.134 16.852 505 HB2 LYS 61 1HB LYS 61 19.145 38.427 17.685 506 HB3 LYS 61 2HB LYS 61 18.301 37.260 18.693 507 HG2 LYS 61 1HG LYS 61 18.396 35.845 16.442 508 HG3 LYS 61 2HG LYS 61 19.816 36.861 16.185 509 HD2 LYS 61 1HD LYS 61 20.779 35.125 17.321 510 HD3 LYS 61 2HD LYS 61 20.332 36.160 18.680 511 HE2 LYS 61 1HE LYS 61 19.410 34.246 19.453 512 HE3 LYS 61 2HE LYS 61 18.066 34.748 18.429 513 HZ1 LYS 61 3HZ LYS 61 19.881 33.328 16.848 514 HZ2 LYS 61 1HZ LYS 61 18.305 32.890 17.279 515 HZ3 LYS 61 2HZ LYS 61 19.609 32.419 18.248 516 H ARG 62 H ARG 62 16.706 40.503 16.896 517 HA ARG 62 HA ARG 62 15.796 40.875 19.605 518 HE ARG 62 HE ARG 62 15.601 45.546 17.744 519 HB2 ARG 62 1HB ARG 62 15.722 43.205 19.095 520 HB3 ARG 62 2HB ARG 62 17.166 42.555 18.331 521 HG2 ARG 62 1HG ARG 62 15.594 42.321 16.252 522 HG3 ARG 62 2HG ARG 62 14.650 43.552 17.093 523 HD2 ARG 62 1HD ARG 62 17.597 43.904 16.721 524 HD3 ARG 62 2HD ARG 62 16.488 44.269 15.400 525 HH11 ARG 62 1HH1 ARG 62 18.159 45.709 15.388 526 HH12 ARG 62 2HH1 ARG 62 18.412 47.411 15.588 527 HH21 ARG 62 1HH2 ARG 62 15.924 47.788 18.016 528 HH22 ARG 62 2HH2 ARG 62 17.141 48.593 17.084 529 H LEU 63 H LEU 63 14.329 39.635 16.970 530 HA LEU 63 HA LEU 63 11.733 40.904 17.455 531 HG LEU 63 HG LEU 63 11.262 40.779 13.857 532 HB2 LEU 63 1HB LEU 63 13.030 39.679 15.178 533 HB3 LEU 63 2HB LEU 63 11.431 38.994 15.454 534 HD11 LEU 63 1HD1 LEU 63 9.506 41.978 14.810 535 HD12 LEU 63 2HD1 LEU 63 10.236 41.957 16.415 536 HD13 LEU 63 3HD1 LEU 63 9.547 40.481 15.740 537 HD21 LEU 63 3HD2 LEU 63 13.336 41.958 14.573 538 HD22 LEU 63 1HD2 LEU 63 12.436 42.613 15.941 539 HD23 LEU 63 2HD2 LEU 63 11.961 43.028 14.294 540 H ASP 64 H ASP 64 13.477 37.949 17.928 541 HA ASP 64 HA ASP 64 11.459 36.083 18.210 542 HB2 ASP 64 1HB ASP 64 12.978 34.786 19.499 543 HB3 ASP 64 2HB ASP 64 13.964 35.702 18.363 544 H GLU 65 H GLU 65 10.467 35.188 20.146 545 HA GLU 65 HA GLU 65 10.399 36.537 22.614 546 HB2 GLU 65 1HB GLU 65 8.195 37.574 22.518 547 HB3 GLU 65 2HB GLU 65 9.262 38.285 21.316 548 HG2 GLU 65 1HG GLU 65 8.069 37.481 19.570 549 HG3 GLU 65 2HG GLU 65 7.576 36.025 20.433 550 H TRP 66 H TRP 66 8.087 35.938 23.717 551 HA TRP 66 HA TRP 66 7.887 33.036 23.355 552 HD1 TRP 66 HD1 TRP 66 9.421 35.912 25.824 553 HE1 TRP 66 HE1 TRP 66 11.611 35.011 26.831 554 HE3 TRP 66 HE3 TRP 66 8.260 30.935 25.972 555 HZ2 TRP 66 HZ2 TRP 66 12.703 32.521 27.588 556 HZ3 TRP 66 HZ3 TRP 66 9.933 29.360 26.851 557 HH2 TRP 66 HH2 TRP 66 12.108 30.138 27.642 558 HB2 TRP 66 1HB TRP 66 6.952 34.764 25.657 559 HB3 TRP 66 2HB TRP 66 6.907 33.004 25.602 560 H ILE 67 H ILE 67 6.287 32.388 22.078 561 HA ILE 67 HA ILE 67 3.771 33.911 22.072 562 HB ILE 67 HB ILE 67 3.284 32.794 19.927 563 HG12 ILE 67 1HG1 ILE 67 6.131 31.828 19.888 564 HG13 ILE 67 2HG1 ILE 67 4.846 30.818 20.540 565 HG21 ILE 67 1HG2 ILE 67 4.183 34.906 19.621 566 HG22 ILE 67 2HG2 ILE 67 5.760 34.437 20.255 567 HG23 ILE 67 3HG2 ILE 67 5.256 33.892 18.655 568 HD11 ILE 67 3HD1 ILE 67 3.669 31.025 18.364 569 HD12 ILE 67 1HD1 ILE 67 5.079 31.878 17.737 570 HD13 ILE 67 2HD1 ILE 67 5.226 30.203 18.269 571 H THR 68 H THR 68 1.768 32.756 22.039 572 HA THR 68 HA THR 68 1.910 30.256 23.562 573 HB THR 68 HB THR 68 -0.735 30.894 23.561 574 HG1 THR 68 HG1 THR 68 0.616 33.389 23.751 575 HG21 THR 68 3HG2 THR 68 0.822 32.353 25.587 576 HG22 THR 68 1HG2 THR 68 1.237 30.649 25.410 577 HG23 THR 68 2HG2 THR 68 -0.421 31.118 25.785 578 H THR 69 H THR 69 -0.118 28.807 23.120 579 HA THR 69 HA THR 69 0.191 27.615 20.633 580 HB THR 69 HB THR 69 -1.879 26.374 21.106 581 HG1 THR 69 HG1 THR 69 -2.751 27.013 23.349 582 HG21 THR 69 3HG2 THR 69 0.310 25.842 22.247 583 HG22 THR 69 1HG2 THR 69 -1.135 25.263 23.074 584 HG23 THR 69 2HG2 THR 69 -0.305 26.707 23.655 585 H ASP 70 H ASP 70 -2.240 29.954 21.714 586 HA ASP 70 HA ASP 70 -3.748 29.948 19.318 587 HB2 ASP 70 1HB ASP 70 -3.504 31.939 21.572 588 HB3 ASP 70 2HB ASP 70 -4.583 32.188 20.202 589 H ARG 71 H ARG 71 -0.682 31.155 20.025 590 HA ARG 71 HA ARG 71 -0.810 33.207 17.937 591 HE ARG 71 HE ARG 71 0.380 36.770 22.044 592 HB2 ARG 71 1HB ARG 71 1.264 32.571 20.035 593 HB3 ARG 71 2HB ARG 71 1.527 33.743 18.751 594 HG2 ARG 71 1HG ARG 71 -0.732 34.743 19.663 595 HG3 ARG 71 2HG ARG 71 -0.239 33.898 21.131 596 HD2 ARG 71 1HD ARG 71 1.780 35.126 21.270 597 HD3 ARG 71 2HD ARG 71 1.589 35.759 19.636 598 HH11 ARG 71 1HH1 ARG 71 0.170 36.606 18.573 599 HH12 ARG 71 2HH1 ARG 71 -0.766 38.057 18.430 600 HH21 ARG 71 1HH2 ARG 71 -0.852 38.682 21.869 601 HH22 ARG 71 2HH2 ARG 71 -1.346 39.237 20.306 602 H ILE 72 H ILE 72 -0.295 29.999 18.090 603 HA ILE 72 HA ILE 72 1.922 29.964 16.173 604 HB ILE 72 HB ILE 72 0.579 27.681 17.624 605 HG12 ILE 72 1HG1 ILE 72 3.411 28.613 18.000 606 HG13 ILE 72 2HG1 ILE 72 2.093 29.373 18.884 607 HG21 ILE 72 1HG2 ILE 72 2.918 26.677 16.725 608 HG22 ILE 72 2HG2 ILE 72 1.382 26.511 15.876 609 HG23 ILE 72 3HG2 ILE 72 2.513 27.780 15.410 610 HD11 ILE 72 3HD1 ILE 72 1.558 26.809 19.417 611 HD12 ILE 72 1HD1 ILE 72 3.305 26.708 19.202 612 HD13 ILE 72 2HD1 ILE 72 2.626 27.805 20.405 613 H ASN 73 H ASN 73 1.724 29.151 14.116 614 HA ASN 73 HA ASN 73 -1.024 28.898 13.129 615 HB2 ASN 73 1HB ASN 73 0.773 30.522 12.153 616 HB3 ASN 73 2HB ASN 73 1.389 29.078 11.353 617 HD21 ASN 73 2HD2 ASN 73 0.197 31.483 10.221 618 HD22 ASN 73 1HD2 ASN 73 -1.160 30.952 9.292 619 H LEU 74 H LEU 74 -1.693 26.839 13.251 620 HA LEU 74 HA LEU 74 0.150 24.675 12.572 621 HG LEU 74 HG LEU 74 -0.366 24.980 15.232 622 HB2 LEU 74 1HB LEU 74 -2.554 24.775 13.868 623 HB3 LEU 74 2HB LEU 74 -1.866 23.260 13.288 624 HD11 LEU 74 1HD1 LEU 74 -1.418 23.216 16.893 625 HD12 LEU 74 2HD1 LEU 74 -2.749 23.282 15.739 626 HD13 LEU 74 3HD1 LEU 74 -2.211 24.753 16.549 627 HD21 LEU 74 3HD2 LEU 74 0.378 22.779 13.874 628 HD22 LEU 74 1HD2 LEU 74 -0.324 22.034 15.311 629 HD23 LEU 74 2HD2 LEU 74 0.993 23.196 15.474 630 H ASP 75 H ASP 75 -1.065 26.562 10.594 631 HA ASP 75 HA ASP 75 -2.703 24.717 9.012 632 HB2 ASP 75 1HB ASP 75 -3.366 27.167 9.457 633 HB3 ASP 75 2HB ASP 75 -2.109 27.579 8.294 634 H LYS 76 H LYS 76 0.426 26.164 9.162 635 HA LYS 76 HA LYS 76 1.053 25.320 6.426 636 HB2 LYS 76 1HB LYS 76 2.317 27.210 8.371 637 HB3 LYS 76 2HB LYS 76 3.308 26.492 7.107 638 HG2 LYS 76 1HG LYS 76 2.627 28.491 6.168 639 HG3 LYS 76 2HG LYS 76 1.477 27.330 5.500 640 HD2 LYS 76 1HD LYS 76 -0.269 28.145 6.729 641 HD3 LYS 76 2HD LYS 76 0.769 28.677 8.053 642 HE2 LYS 76 1HE LYS 76 0.442 30.734 7.230 643 HE3 LYS 76 2HE LYS 76 1.611 30.265 5.997 644 HZ1 LYS 76 3HZ LYS 76 -1.192 30.777 5.742 645 HZ2 LYS 76 1HZ LYS 76 -0.755 29.286 5.070 646 HZ3 LYS 76 2HZ LYS 76 0.003 30.704 4.546 647 H GLU 77 H GLU 77 2.615 23.807 5.962 648 HA GLU 77 HA GLU 77 2.971 21.657 7.655 649 HB2 GLU 77 1HB GLU 77 4.927 22.503 5.515 650 HB3 GLU 77 2HB GLU 77 4.671 20.877 6.132 651 HG2 GLU 77 1HG GLU 77 2.217 21.298 5.293 652 HG3 GLU 77 2HG GLU 77 3.015 22.479 4.256 653 H VAL 78 H VAL 78 4.654 20.925 8.966 654 HA VAL 78 HA VAL 78 6.310 23.068 10.093 655 HB VAL 78 HB VAL 78 5.585 20.359 11.217 656 HG11 VAL 78 1HG1 VAL 78 7.319 22.560 12.319 657 HG12 VAL 78 2HG1 VAL 78 6.639 21.269 13.310 658 HG13 VAL 78 3HG1 VAL 78 7.765 20.883 12.008 659 HG21 VAL 78 3HG2 VAL 78 3.676 21.602 11.506 660 HG22 VAL 78 1HG2 VAL 78 4.556 22.010 12.979 661 HG23 VAL 78 2HG2 VAL 78 4.554 23.128 11.615 662 H LEU 79 H LEU 79 8.507 22.958 10.173 663 HA LEU 79 HA LEU 79 9.752 20.834 8.582 664 HG LEU 79 HG LEU 79 9.251 23.631 7.405 665 HB2 LEU 79 1HB LEU 79 10.668 23.587 9.374 666 HB3 LEU 79 2HB LEU 79 11.732 22.408 8.611 667 HD11 LEU 79 1HD1 LEU 79 12.119 23.904 6.538 668 HD12 LEU 79 2HD1 LEU 79 11.304 25.067 7.583 669 HD13 LEU 79 3HD1 LEU 79 10.715 24.791 5.944 670 HD21 LEU 79 3HD2 LEU 79 10.142 22.446 5.333 671 HD22 LEU 79 1HD2 LEU 79 9.345 21.447 6.550 672 HD23 LEU 79 2HD2 LEU 79 11.106 21.471 6.444 673 H TYR 80 H TYR 80 10.923 19.302 9.525 674 HA TYR 80 HA TYR 80 11.843 19.751 12.288 675 HD1 TYR 80 HD1 TYR 80 8.592 18.280 10.968 676 HD2 TYR 80 HD2 TYR 80 10.890 17.754 14.510 677 HE1 TYR 80 HE1 TYR 80 6.566 18.608 12.324 678 HE2 TYR 80 HE2 TYR 80 8.870 18.079 15.876 679 HH TYR 80 HH TYR 80 6.132 17.693 15.233 680 HB2 TYR 80 1HB TYR 80 10.840 17.271 10.907 681 HB3 TYR 80 2HB TYR 80 11.812 17.176 12.371 682 HA PRO 81 HA PRO 81 16.011 19.085 11.090 683 HB2 PRO 81 1HB PRO 81 16.995 17.728 13.225 684 HB3 PRO 81 2HB PRO 81 16.587 19.447 13.284 685 HG2 PRO 81 1HG PRO 81 15.001 17.089 14.227 686 HG3 PRO 81 2HG PRO 81 15.257 18.654 15.020 687 HD2 PRO 81 1HD PRO 81 12.989 18.063 13.664 688 HD3 PRO 81 2HD PRO 81 13.655 19.707 13.742 689 H LYS 82 H LYS 82 17.666 17.426 10.667 690 HA LYS 82 HA LYS 82 16.512 14.747 10.259 691 HB2 LYS 82 1HB LYS 82 16.644 16.058 8.138 692 HB3 LYS 82 2HB LYS 82 18.385 16.166 8.357 693 HG2 LYS 82 1HG LYS 82 18.625 14.236 7.309 694 HG3 LYS 82 2HG LYS 82 17.681 13.438 8.569 695 HD2 LYS 82 1HD LYS 82 15.637 13.850 7.376 696 HD3 LYS 82 2HD LYS 82 16.480 14.842 6.185 697 HE2 LYS 82 1HE LYS 82 17.895 12.625 5.885 698 HE3 LYS 82 2HE LYS 82 16.421 11.886 6.509 699 HZ1 LYS 82 3HZ LYS 82 15.226 13.184 4.731 700 HZ2 LYS 82 1HZ LYS 82 16.204 11.916 4.186 701 HZ3 LYS 82 2HZ LYS 82 16.742 13.514 4.057 702 H LEU 83 H LEU 83 17.608 13.241 11.316 703 HA LEU 83 HA LEU 83 20.508 13.600 11.682 704 HG LEU 83 HG LEU 83 19.825 14.129 15.254 705 HB2 LEU 83 1HB LEU 83 18.393 12.951 13.665 706 HB3 LEU 83 2HB LEU 83 19.959 12.163 13.842 707 HD11 LEU 83 1HD1 LEU 83 21.880 13.493 13.577 708 HD12 LEU 83 2HD1 LEU 83 21.962 14.673 14.884 709 HD13 LEU 83 3HD1 LEU 83 21.642 15.207 13.234 710 HD21 LEU 83 3HD2 LEU 83 19.188 16.209 14.580 711 HD22 LEU 83 1HD2 LEU 83 18.231 15.244 13.455 712 HD23 LEU 83 2HD2 LEU 83 19.750 15.968 12.925 713 H LYS 84 H LYS 84 21.779 11.796 11.460 714 HA LYS 84 HA LYS 84 20.403 9.301 10.708 715 HB2 LYS 84 1HB LYS 84 21.349 10.466 8.736 716 HB3 LYS 84 2HB LYS 84 22.940 10.402 9.483 717 HG2 LYS 84 1HG LYS 84 22.643 7.876 9.526 718 HG3 LYS 84 2HG LYS 84 21.278 8.134 8.437 719 HD2 LYS 84 1HD LYS 84 23.977 9.300 7.841 720 HD3 LYS 84 2HD LYS 84 23.593 7.630 7.417 721 HE2 LYS 84 1HE LYS 84 21.706 8.387 6.081 722 HE3 LYS 84 2HE LYS 84 22.026 10.058 6.545 723 HZ1 LYS 84 3HZ LYS 84 23.019 8.783 4.349 724 HZ2 LYS 84 1HZ LYS 84 24.325 8.777 5.425 725 HZ3 LYS 84 2HZ LYS 84 23.591 10.239 4.995 726 H ALA 85 H ALA 85 20.678 8.247 12.638 727 HA ALA 85 HA ALA 85 23.187 8.213 14.027 728 HB1 ALA 85 1HB ALA 85 22.095 6.561 15.491 729 HB2 ALA 85 2HB ALA 85 21.117 8.013 15.267 730 HB3 ALA 85 3HB ALA 85 20.710 6.533 14.398 731 H THR 86 H THR 86 24.894 7.069 13.427 732 HA THR 86 HA THR 86 24.461 4.456 12.135 733 HB THR 86 HB THR 86 26.786 6.277 11.514 734 HG1 THR 86 HG1 THR 86 25.551 7.264 10.110 735 HG21 THR 86 3HG2 THR 86 25.705 3.749 10.277 736 HG22 THR 86 1HG2 THR 86 27.288 4.002 11.012 737 HG23 THR 86 2HG2 THR 86 26.891 4.786 9.483 738 H ASP 87 H ASP 87 26.687 6.452 14.040 739 HA ASP 87 HA ASP 87 27.941 3.993 15.057 740 HB2 ASP 87 1HB ASP 87 29.339 5.854 13.959 741 HB3 ASP 87 2HB ASP 87 29.030 6.776 15.428 742 H GLU 88 H GLU 88 25.359 5.153 15.929 743 HA GLU 88 HA GLU 88 26.043 5.750 18.732 744 HB2 GLU 88 1HB GLU 88 24.660 7.392 17.179 745 HB3 GLU 88 2HB GLU 88 23.332 6.333 17.629 746 HG2 GLU 88 1HG GLU 88 23.479 6.898 19.880 747 HG3 GLU 88 2HG GLU 88 25.113 7.536 19.709 748 H ASP 89 H ASP 89 25.879 3.961 19.911 749 HA ASP 89 HA ASP 89 23.700 2.073 19.331 750 HB2 ASP 89 1HB ASP 89 26.375 1.733 20.673 751 HB3 ASP 89 2HB ASP 89 25.096 0.534 20.842 Start of MODEL 14 1 H1 GLY -2 H GLY -2 32.913 -1.782 -15.661 2 HA2 GLY -2 1HA GLY -2 32.633 0.614 -16.978 3 HA3 GLY -2 2HA GLY -2 31.289 -0.270 -16.269 4 H SER -1 H SER -1 31.663 2.609 -16.505 5 HA SER -1 HA SER -1 31.104 3.285 -13.740 6 HG SER -1 HG SER -1 33.493 6.158 -14.054 7 HB2 SER -1 1HB SER -1 33.375 3.784 -13.563 8 HB3 SER -1 2HB SER -1 33.490 4.320 -15.239 9 H HIS 0 H HIS 0 29.172 4.198 -13.954 10 HA HIS 0 HA HIS 0 28.840 6.288 -16.001 11 HD1 HIS 0 HD1 HIS 0 27.193 5.846 -18.523 12 HD2 HIS 0 HD2 HIS 0 28.206 2.220 -16.766 13 HE1 HIS 0 HE1 HIS 0 27.897 4.353 -20.420 14 HB2 HIS 0 1HB HIS 0 26.906 4.114 -15.206 15 HB3 HIS 0 2HB HIS 0 26.392 5.570 -16.053 16 H MET 1 H MET 1 27.574 8.070 -15.434 17 HA MET 1 HA MET 1 27.163 8.372 -12.539 18 HB2 MET 1 1HB MET 1 27.607 10.420 -14.713 19 HB3 MET 1 2HB MET 1 27.174 10.837 -13.061 20 HG2 MET 1 1HG MET 1 29.232 9.584 -12.330 21 HG3 MET 1 2HG MET 1 29.685 9.511 -14.032 22 HE1 MET 1 3HE MET 1 29.404 13.003 -15.115 23 HE2 MET 1 1HE MET 1 31.059 12.393 -15.110 24 HE3 MET 1 2HE MET 1 29.723 11.312 -15.504 25 H SER 2 H SER 2 25.220 6.967 -13.912 26 HA SER 2 HA SER 2 23.100 8.415 -14.972 27 HG SER 2 HG SER 2 24.124 5.895 -15.496 28 HB2 SER 2 1HB SER 2 23.116 5.840 -13.390 29 HB3 SER 2 2HB SER 2 21.676 6.479 -14.183 30 H HIS 3 H HIS 3 21.480 9.614 -14.153 31 HA HIS 3 HA HIS 3 21.358 9.902 -11.222 32 HD1 HIS 3 HD1 HIS 3 18.906 12.905 -13.458 33 HD2 HIS 3 HD2 HIS 3 22.619 11.835 -14.983 34 HE1 HIS 3 HE1 HIS 3 18.854 13.570 -15.883 35 HB2 HIS 3 1HB HIS 3 20.568 12.240 -11.663 36 HB3 HIS 3 2HB HIS 3 22.229 11.935 -12.160 37 H ASP 4 H ASP 4 19.450 9.568 -10.260 38 HA ASP 4 HA ASP 4 17.129 9.052 -11.985 39 HB2 ASP 4 1HB ASP 4 17.763 8.167 -9.165 40 HB3 ASP 4 2HB ASP 4 16.216 7.876 -9.956 41 H GLY 5 H GLY 5 17.393 10.054 -8.580 42 HA2 GLY 5 1HA GLY 5 15.696 12.380 -9.226 43 HA3 GLY 5 2HA GLY 5 15.303 11.326 -7.876 44 H LYS 6 H LYS 6 15.653 14.023 -7.487 45 HA LYS 6 HA LYS 6 18.299 14.207 -6.208 46 HB2 LYS 6 1HB LYS 6 17.715 15.917 -7.962 47 HB3 LYS 6 2HB LYS 6 16.439 16.486 -6.894 48 HG2 LYS 6 1HG LYS 6 18.128 17.952 -6.401 49 HG3 LYS 6 2HG LYS 6 18.377 16.717 -5.165 50 HD2 LYS 6 1HD LYS 6 19.943 15.660 -6.987 51 HD3 LYS 6 2HD LYS 6 19.976 17.310 -7.614 52 HE2 LYS 6 1HE LYS 6 20.818 18.145 -5.528 53 HE3 LYS 6 2HE LYS 6 20.613 16.571 -4.762 54 HZ1 LYS 6 3HZ LYS 6 22.741 17.530 -6.460 55 HZ2 LYS 6 1HZ LYS 6 22.191 15.979 -6.853 56 HZ3 LYS 6 2HZ LYS 6 22.755 16.306 -5.293 57 H GLU 7 H GLU 7 18.309 13.939 -4.084 58 HA GLU 7 HA GLU 7 15.869 14.591 -2.570 59 HB2 GLU 7 1HB GLU 7 16.979 12.189 -2.649 60 HB3 GLU 7 2HB GLU 7 18.031 12.881 -1.422 61 HG2 GLU 7 1HG GLU 7 16.291 11.778 -0.279 62 HG3 GLU 7 2HG GLU 7 15.964 13.505 -0.145 63 H GLU 8 H GLU 8 15.981 15.865 -0.758 64 HA GLU 8 HA GLU 8 18.608 17.006 -0.084 65 HB2 GLU 8 1HB GLU 8 16.105 18.402 -0.880 66 HB3 GLU 8 2HB GLU 8 17.064 19.131 0.400 67 HG2 GLU 8 1HG GLU 8 17.837 20.152 -1.535 68 HG3 GLU 8 2HG GLU 8 19.041 18.908 -1.203 69 HA PRO 9 HA PRO 9 17.621 16.346 4.138 70 HB2 PRO 9 1HB PRO 9 18.670 18.545 5.336 71 HB3 PRO 9 2HB PRO 9 19.667 17.252 4.660 72 HG2 PRO 9 1HG PRO 9 18.943 19.903 3.473 73 HG3 PRO 9 2HG PRO 9 20.510 19.071 3.482 74 HD2 PRO 9 1HD PRO 9 18.866 19.060 1.330 75 HD3 PRO 9 2HD PRO 9 19.931 17.695 1.726 76 H GLY 10 H GLY 10 16.743 17.599 6.162 77 HA2 GLY 10 1HA GLY 10 15.128 18.959 7.128 78 HA3 GLY 10 2HA GLY 10 14.878 19.722 5.565 79 H ILE 11 H ILE 11 13.514 17.752 7.862 80 HA ILE 11 HA ILE 11 11.798 16.342 5.948 81 HB ILE 11 HB ILE 11 11.940 16.011 8.946 82 HG12 ILE 11 1HG1 ILE 11 12.965 13.726 8.038 83 HG13 ILE 11 2HG1 ILE 11 13.441 14.759 6.695 84 HG21 ILE 11 1HG2 ILE 11 10.517 14.482 6.781 85 HG22 ILE 11 2HG2 ILE 11 10.780 13.843 8.403 86 HG23 ILE 11 3HG2 ILE 11 9.813 15.300 8.176 87 HD11 ILE 11 3HD1 ILE 11 14.039 15.897 9.310 88 HD12 ILE 11 1HD1 ILE 11 14.866 14.374 8.985 89 HD13 ILE 11 2HD1 ILE 11 15.056 15.734 7.878 90 H ALA 12 H ALA 12 9.923 17.224 5.416 91 HA ALA 12 HA ALA 12 8.710 19.201 7.213 92 HB1 ALA 12 1HB ALA 12 7.469 19.985 5.297 93 HB2 ALA 12 2HB ALA 12 9.183 19.889 4.888 94 HB3 ALA 12 3HB ALA 12 8.070 18.645 4.319 95 H LYS 13 H LYS 13 7.118 18.539 8.480 96 HA LYS 13 HA LYS 13 5.218 16.547 7.451 97 HB2 LYS 13 1HB LYS 13 5.222 15.311 9.474 98 HB3 LYS 13 2HB LYS 13 6.912 15.537 9.041 99 HG2 LYS 13 1HG LYS 13 7.035 17.415 10.638 100 HG3 LYS 13 2HG LYS 13 5.369 17.080 11.116 101 HD2 LYS 13 1HD LYS 13 6.804 16.036 12.713 102 HD3 LYS 13 2HD LYS 13 6.099 14.761 11.717 103 HE2 LYS 13 1HE LYS 13 8.093 14.385 10.574 104 HE3 LYS 13 2HE LYS 13 8.758 15.954 11.025 105 HZ1 LYS 13 3HZ LYS 13 9.858 14.773 12.554 106 HZ2 LYS 13 1HZ LYS 13 8.806 13.452 12.463 107 HZ3 LYS 13 2HZ LYS 13 8.403 14.789 13.417 108 H LYS 14 H LYS 14 3.098 16.729 8.221 109 HA LYS 14 HA LYS 14 2.468 19.364 9.336 110 HB2 LYS 14 1HB LYS 14 1.021 17.419 7.604 111 HB3 LYS 14 2HB LYS 14 0.061 18.459 8.648 112 HG2 LYS 14 1HG LYS 14 2.150 19.819 7.086 113 HG3 LYS 14 2HG LYS 14 0.828 19.113 6.152 114 HD2 LYS 14 1HD LYS 14 -0.511 20.330 8.199 115 HD3 LYS 14 2HD LYS 14 0.845 21.431 7.947 116 HE2 LYS 14 1HE LYS 14 -0.715 20.430 5.603 117 HE3 LYS 14 2HE LYS 14 -1.365 21.737 6.592 118 HZ1 LYS 14 3HZ LYS 14 0.542 21.905 4.566 119 HZ2 LYS 14 1HZ LYS 14 1.327 22.285 6.016 120 HZ3 LYS 14 2HZ LYS 14 -0.047 23.152 5.546 121 H ILE 15 H ILE 15 2.262 19.410 11.474 122 HA ILE 15 HA ILE 15 1.088 17.082 12.836 123 HB ILE 15 HB ILE 15 2.070 17.996 14.905 124 HG12 ILE 15 1HG1 ILE 15 3.812 19.870 13.418 125 HG13 ILE 15 2HG1 ILE 15 2.141 20.381 13.627 126 HG21 ILE 15 1HG2 ILE 15 4.298 17.871 12.920 127 HG22 ILE 15 2HG2 ILE 15 4.183 17.151 14.526 128 HG23 ILE 15 3HG2 ILE 15 3.273 16.460 13.183 129 HD11 ILE 15 3HD1 ILE 15 3.477 19.356 16.039 130 HD12 ILE 15 1HD1 ILE 15 4.094 20.877 15.395 131 HD13 ILE 15 2HD1 ILE 15 2.391 20.731 15.832 132 H ASN 16 H ASN 16 -0.144 17.695 14.888 133 HA ASN 16 HA ASN 16 -1.704 20.153 14.529 134 HB2 ASN 16 1HB ASN 16 -2.862 17.384 14.909 135 HB3 ASN 16 2HB ASN 16 -3.791 18.877 15.017 136 HD21 ASN 16 2HD2 ASN 16 -3.442 20.345 13.041 137 HD22 ASN 16 1HD2 ASN 16 -3.545 19.557 11.507 138 H SER 17 H SER 17 0.392 19.028 16.423 139 HA SER 17 HA SER 17 -1.016 19.787 18.877 140 HG SER 17 HG SER 17 -1.855 17.066 19.188 141 HB2 SER 17 1HB SER 17 0.878 17.434 18.812 142 HB3 SER 17 2HB SER 17 -0.159 17.951 20.141 143 H VAL 18 H VAL 18 0.059 21.321 19.920 144 HA VAL 18 HA VAL 18 2.590 22.249 19.046 145 HB VAL 18 HB VAL 18 2.469 23.862 20.830 146 HG11 VAL 18 1HG1 VAL 18 -0.309 23.375 19.761 147 HG12 VAL 18 2HG1 VAL 18 0.348 24.908 20.338 148 HG13 VAL 18 3HG1 VAL 18 0.992 24.167 18.872 149 HG21 VAL 18 3HG2 VAL 18 1.769 23.112 22.817 150 HG22 VAL 18 1HG2 VAL 18 0.138 23.421 22.221 151 HG23 VAL 18 2HG2 VAL 18 0.833 21.805 22.091 152 H ASP 19 H ASP 19 1.668 19.801 21.225 153 HA ASP 19 HA ASP 19 3.756 19.874 23.094 154 HB2 ASP 19 1HB ASP 19 1.783 18.468 23.401 155 HB3 ASP 19 2HB ASP 19 2.241 17.491 22.009 156 H ASP 20 H ASP 20 3.556 18.456 19.874 157 HA ASP 20 HA ASP 20 6.180 17.262 20.066 158 HB2 ASP 20 1HB ASP 20 4.050 17.400 17.968 159 HB3 ASP 20 2HB ASP 20 5.691 16.969 17.495 160 H ILE 21 H ILE 21 6.701 19.741 20.674 161 HA ILE 21 HA ILE 21 7.861 20.897 18.225 162 HB ILE 21 HB ILE 21 6.659 22.397 20.553 163 HG12 ILE 21 1HG1 ILE 21 5.949 22.418 17.612 164 HG13 ILE 21 2HG1 ILE 21 5.073 21.517 18.845 165 HG21 ILE 21 1HG2 ILE 21 7.336 24.206 18.549 166 HG22 ILE 21 2HG2 ILE 21 8.123 24.011 20.114 167 HG23 ILE 21 3HG2 ILE 21 8.742 23.152 18.704 168 HD11 ILE 21 3HD1 ILE 21 4.525 23.623 19.970 169 HD12 ILE 21 1HD1 ILE 21 5.369 24.507 18.699 170 HD13 ILE 21 2HD1 ILE 21 3.924 23.572 18.312 171 H ILE 22 H ILE 22 9.990 21.244 18.287 172 HA ILE 22 HA ILE 22 11.326 21.219 20.914 173 HB ILE 22 HB ILE 22 13.280 20.164 19.786 174 HG12 ILE 22 1HG1 ILE 22 11.376 19.522 17.536 175 HG13 ILE 22 2HG1 ILE 22 12.480 20.891 17.468 176 HG21 ILE 22 1HG2 ILE 22 10.985 18.998 20.779 177 HG22 ILE 22 2HG2 ILE 22 11.257 18.148 19.259 178 HG23 ILE 22 3HG2 ILE 22 12.523 18.186 20.486 179 HD11 ILE 22 3HD1 ILE 22 13.597 19.205 16.335 180 HD12 ILE 22 1HD1 ILE 22 14.319 19.174 17.944 181 HD13 ILE 22 2HD1 ILE 22 13.110 17.970 17.495 182 H ILE 23 H ILE 23 13.793 21.934 20.414 183 HA ILE 23 HA ILE 23 13.606 24.696 19.748 184 HB ILE 23 HB ILE 23 16.025 22.966 20.270 185 HG12 ILE 23 1HG1 ILE 23 15.916 24.532 22.400 186 HG13 ILE 23 2HG1 ILE 23 14.213 24.633 21.966 187 HG21 ILE 23 1HG2 ILE 23 17.125 25.217 20.699 188 HG22 ILE 23 2HG2 ILE 23 16.830 24.784 19.015 189 HG23 ILE 23 3HG2 ILE 23 15.763 25.926 19.831 190 HD11 ILE 23 3HD1 ILE 23 13.869 22.358 22.323 191 HD12 ILE 23 1HD1 ILE 23 15.594 21.994 22.264 192 HD13 ILE 23 2HD1 ILE 23 14.920 22.855 23.649 193 H LYS 24 H LYS 24 14.428 21.836 17.985 194 HA LYS 24 HA LYS 24 15.614 23.361 15.796 195 HB2 LYS 24 1HB LYS 24 15.199 20.381 16.101 196 HB3 LYS 24 2HB LYS 24 16.080 21.163 14.795 197 HG2 LYS 24 1HG LYS 24 16.832 21.139 17.710 198 HG3 LYS 24 2HG LYS 24 17.631 20.267 16.399 199 HD2 LYS 24 1HD LYS 24 17.436 23.268 16.658 200 HD3 LYS 24 2HD LYS 24 18.862 22.294 17.025 201 HE2 LYS 24 1HE LYS 24 17.522 22.480 14.328 202 HE3 LYS 24 2HE LYS 24 18.981 23.350 14.801 203 HZ1 LYS 24 3HZ LYS 24 18.623 20.461 14.340 204 HZ2 LYS 24 1HZ LYS 24 19.885 21.020 15.318 205 HZ3 LYS 24 2HZ LYS 24 19.791 21.504 13.700 206 H CYS 25 H CYS 25 12.595 22.847 16.766 207 HA CYS 25 HA CYS 25 11.453 22.083 14.199 208 HG CYS 25 HG CYS 25 8.682 23.055 14.108 209 HB2 CYS 25 1HB CYS 25 10.332 21.098 16.038 210 HB3 CYS 25 2HB CYS 25 10.277 22.618 16.921 211 H GLN 26 H GLN 26 10.345 23.425 12.847 212 HA GLN 26 HA GLN 26 10.229 26.272 13.592 213 HB2 GLN 26 1HB GLN 26 10.847 25.187 10.840 214 HB3 GLN 26 2HB GLN 26 10.801 26.880 11.312 215 HG2 GLN 26 1HG GLN 26 12.719 26.574 12.745 216 HG3 GLN 26 2HG GLN 26 12.735 24.846 12.397 217 HE21 GLN 26 2HE2 GLN 26 14.066 24.202 10.868 218 HE22 GLN 26 1HE2 GLN 26 14.726 25.185 9.610 219 H CYS 27 H CYS 27 8.337 27.281 13.258 220 HA CYS 27 HA CYS 27 6.354 26.055 11.488 221 HG CYS 27 HG CYS 27 6.130 28.325 14.847 222 HB2 CYS 27 1HB CYS 27 4.593 26.430 13.239 223 HB3 CYS 27 2HB CYS 27 5.749 25.161 13.629 224 H TRP 28 H TRP 28 4.354 27.568 11.372 225 HA TRP 28 HA TRP 28 5.390 30.253 10.858 226 HD1 TRP 28 HD1 TRP 28 4.699 27.134 8.635 227 HE1 TRP 28 HE1 TRP 28 6.006 27.479 6.445 228 HE3 TRP 28 HE3 TRP 28 4.283 32.214 8.233 229 HZ2 TRP 28 HZ2 TRP 28 6.762 29.621 4.769 230 HZ3 TRP 28 HZ3 TRP 28 5.327 33.333 6.307 231 HH2 TRP 28 HH2 TRP 28 6.541 32.062 4.612 232 HB2 TRP 28 1HB TRP 28 2.938 28.773 9.917 233 HB3 TRP 28 2HB TRP 28 3.142 30.503 9.657 234 H VAL 29 H VAL 29 4.737 32.027 11.933 235 HA VAL 29 HA VAL 29 2.641 31.677 13.977 236 HB VAL 29 HB VAL 29 4.929 33.640 14.115 237 HG11 VAL 29 1HG1 VAL 29 3.553 32.719 16.545 238 HG12 VAL 29 2HG1 VAL 29 4.085 34.337 16.082 239 HG13 VAL 29 3HG1 VAL 29 2.572 33.689 15.445 240 HG21 VAL 29 3HG2 VAL 29 5.788 31.344 14.148 241 HG22 VAL 29 1HG2 VAL 29 5.974 32.130 15.716 242 HG23 VAL 29 2HG2 VAL 29 4.685 30.952 15.467 243 H GLN 30 H GLN 30 0.971 33.068 14.002 244 HA GLN 30 HA GLN 30 0.706 34.922 11.809 245 HB2 GLN 30 1HB GLN 30 -1.157 33.456 12.639 246 HB3 GLN 30 2HB GLN 30 -1.212 34.445 14.093 247 HG2 GLN 30 1HG GLN 30 -1.989 36.315 12.936 248 HG3 GLN 30 2HG GLN 30 -1.508 35.658 11.372 249 HE21 GLN 30 2HE2 GLN 30 -3.617 36.054 10.602 250 HE22 GLN 30 1HE2 GLN 30 -4.928 35.005 11.009 251 H LYS 31 H LYS 31 1.483 36.913 11.898 252 HA LYS 31 HA LYS 31 1.100 38.490 14.327 253 HB2 LYS 31 1HB LYS 31 3.537 37.360 13.870 254 HB3 LYS 31 2HB LYS 31 3.723 38.902 13.045 255 HG2 LYS 31 1HG LYS 31 4.518 39.053 15.324 256 HG3 LYS 31 2HG LYS 31 3.096 40.075 15.099 257 HD2 LYS 31 1HD LYS 31 2.211 39.063 16.876 258 HD3 LYS 31 2HD LYS 31 2.075 37.608 15.886 259 HE2 LYS 31 1HE LYS 31 4.310 36.915 16.607 260 HE3 LYS 31 2HE LYS 31 4.442 38.369 17.596 261 HZ1 LYS 31 3HZ LYS 31 2.093 37.223 18.385 262 HZ2 LYS 31 1HZ LYS 31 3.565 37.153 19.217 263 HZ3 LYS 31 2HZ LYS 31 3.125 35.900 18.170 264 H ASN 32 H ASN 32 0.589 40.578 13.936 265 HA ASN 32 HA ASN 32 -0.052 42.432 12.784 266 HB2 ASN 32 1HB ASN 32 2.284 41.613 11.044 267 HB3 ASN 32 2HB ASN 32 1.444 43.155 10.914 268 HD21 ASN 32 2HD2 ASN 32 4.216 42.678 11.523 269 HD22 ASN 32 1HD2 ASN 32 4.510 43.368 13.080 270 H ASP 33 H ASP 33 -1.687 40.373 12.302 271 HA ASP 33 HA ASP 33 -3.195 39.468 10.851 272 HB2 ASP 33 1HB ASP 33 -3.521 42.028 10.644 273 HB3 ASP 33 2HB ASP 33 -2.732 41.853 9.079 274 H GLU 34 H GLU 34 -0.319 38.898 10.417 275 HA GLU 34 HA GLU 34 -0.586 37.848 7.698 276 HB2 GLU 34 1HB GLU 34 1.729 39.480 8.729 277 HB3 GLU 34 2HB GLU 34 1.877 38.405 7.347 278 HG2 GLU 34 1HG GLU 34 -0.256 40.494 7.412 279 HG3 GLU 34 2HG GLU 34 1.397 40.912 6.964 280 H GLU 35 H GLU 35 1.435 36.347 7.281 281 HA GLU 35 HA GLU 35 1.881 34.757 9.722 282 HB2 GLU 35 1HB GLU 35 1.787 32.731 8.355 283 HB3 GLU 35 2HB GLU 35 0.284 33.636 8.243 284 HG2 GLU 35 1HG GLU 35 1.886 34.578 6.156 285 HG3 GLU 35 2HG GLU 35 2.089 32.827 6.166 286 H ARG 36 H ARG 36 3.944 34.509 10.247 287 HA ARG 36 HA ARG 36 5.973 34.683 8.118 288 HE ARG 36 HE ARG 36 5.180 40.044 9.259 289 HB2 ARG 36 1HB ARG 36 5.911 36.003 10.815 290 HB3 ARG 36 2HB ARG 36 7.443 35.653 10.026 291 HG2 ARG 36 1HG ARG 36 7.170 37.720 9.193 292 HG3 ARG 36 2HG ARG 36 6.161 36.884 8.012 293 HD2 ARG 36 1HD ARG 36 4.177 37.384 9.329 294 HD3 ARG 36 2HD ARG 36 5.171 38.170 10.555 295 HH11 ARG 36 1HH1 ARG 36 4.401 37.311 7.248 296 HH12 ARG 36 2HH1 ARG 36 4.092 38.270 5.839 297 HH21 ARG 36 1HH2 ARG 36 4.776 41.318 7.411 298 HH22 ARG 36 2HH2 ARG 36 4.306 40.549 5.933 299 H LEU 37 H LEU 37 7.579 33.191 8.155 300 HA LEU 37 HA LEU 37 7.205 30.842 9.711 301 HG LEU 37 HG LEU 37 9.574 29.446 9.576 302 HB2 LEU 37 1HB LEU 37 8.146 30.894 7.413 303 HB3 LEU 37 2HB LEU 37 9.603 31.639 8.068 304 HD11 LEU 37 1HD1 LEU 37 8.080 28.689 7.075 305 HD12 LEU 37 2HD1 LEU 37 7.566 28.475 8.748 306 HD13 LEU 37 3HD1 LEU 37 8.910 27.527 8.111 307 HD21 LEU 37 3HD2 LEU 37 11.457 29.029 8.460 308 HD22 LEU 37 1HD2 LEU 37 11.035 30.396 7.430 309 HD23 LEU 37 2HD2 LEU 37 10.591 28.759 6.947 310 H ALA 38 H ALA 38 7.585 30.860 11.835 311 HA ALA 38 HA ALA 38 9.984 32.237 12.833 312 HB1 ALA 38 1HB ALA 38 8.903 32.667 14.790 313 HB2 ALA 38 2HB ALA 38 7.509 32.593 13.712 314 HB3 ALA 38 3HB ALA 38 7.930 31.198 14.706 315 H GLU 39 H GLU 39 11.576 31.153 13.871 316 HA GLU 39 HA GLU 39 11.380 28.229 13.882 317 HB2 GLU 39 1HB GLU 39 13.277 29.021 12.664 318 HB3 GLU 39 2HB GLU 39 13.737 30.109 13.967 319 HG2 GLU 39 1HG GLU 39 14.594 28.411 15.267 320 HG3 GLU 39 2HG GLU 39 13.637 27.169 14.460 321 H ILE 40 H ILE 40 11.262 27.103 15.714 322 HA ILE 40 HA ILE 40 10.891 28.356 18.207 323 HB ILE 40 HB ILE 40 11.569 25.459 17.686 324 HG12 ILE 40 1HG1 ILE 40 9.577 26.293 16.433 325 HG13 ILE 40 2HG1 ILE 40 9.188 25.054 17.621 326 HG21 ILE 40 1HG2 ILE 40 11.812 25.632 19.953 327 HG22 ILE 40 2HG2 ILE 40 10.674 26.972 20.085 328 HG23 ILE 40 3HG2 ILE 40 10.078 25.329 19.853 329 HD11 ILE 40 3HD1 ILE 40 7.936 26.450 18.856 330 HD12 ILE 40 1HD1 ILE 40 8.993 27.831 18.566 331 HD13 ILE 40 2HD1 ILE 40 7.822 27.343 17.340 332 H LEU 41 H LEU 41 12.199 28.604 19.977 333 HA LEU 41 HA LEU 41 15.052 27.975 19.594 334 HG LEU 41 HG LEU 41 14.223 30.646 18.424 335 HB2 LEU 41 1HB LEU 41 13.744 30.397 20.798 336 HB3 LEU 41 2HB LEU 41 15.429 29.986 21.111 337 HD11 LEU 41 1HD1 LEU 41 15.803 32.592 18.604 338 HD12 LEU 41 2HD1 LEU 41 16.011 32.171 20.304 339 HD13 LEU 41 3HD1 LEU 41 14.421 32.636 19.699 340 HD21 LEU 41 3HD2 LEU 41 16.803 29.463 19.240 341 HD22 LEU 41 1HD2 LEU 41 16.875 30.755 18.042 342 HD23 LEU 41 2HD2 LEU 41 15.910 29.313 17.726 343 H SER 42 H SER 42 12.344 28.147 21.806 344 HA SER 42 HA SER 42 13.488 26.128 23.482 345 HG SER 42 HG SER 42 15.439 27.371 25.081 346 HB2 SER 42 1HB SER 42 14.154 28.765 24.143 347 HB3 SER 42 2HB SER 42 12.858 28.332 25.258 348 H ILE 43 H ILE 43 12.015 25.564 25.303 349 HA ILE 43 HA ILE 43 9.232 26.341 24.728 350 HB ILE 43 HB ILE 43 10.201 23.567 25.427 351 HG12 ILE 43 1HG1 ILE 43 8.680 23.891 22.966 352 HG13 ILE 43 2HG1 ILE 43 10.162 24.841 22.954 353 HG21 ILE 43 1HG2 ILE 43 7.652 23.218 24.686 354 HG22 ILE 43 2HG2 ILE 43 8.141 23.490 26.358 355 HG23 ILE 43 3HG2 ILE 43 7.532 24.831 25.389 356 HD11 ILE 43 3HD1 ILE 43 9.839 21.876 23.210 357 HD12 ILE 43 1HD1 ILE 43 10.752 22.794 22.013 358 HD13 ILE 43 2HD1 ILE 43 11.330 22.694 23.677 359 H ASN 44 H ASN 44 7.962 26.784 26.451 360 HA ASN 44 HA ASN 44 9.033 26.220 29.132 361 HB2 ASN 44 1HB ASN 44 9.454 28.573 28.632 362 HB3 ASN 44 2HB ASN 44 7.761 28.805 28.205 363 HD21 ASN 44 2HD2 ASN 44 6.469 29.538 29.730 364 HD22 ASN 44 1HD2 ASN 44 6.784 29.506 31.428 365 H THR 45 H THR 45 7.673 24.674 29.820 366 HA THR 45 HA THR 45 4.794 25.001 29.374 367 HB THR 45 HB THR 45 4.613 22.656 30.185 368 HG1 THR 45 HG1 THR 45 6.430 22.424 31.447 369 HG21 THR 45 3HG2 THR 45 5.348 23.536 27.725 370 HG22 THR 45 1HG2 THR 45 4.983 21.854 28.107 371 HG23 THR 45 2HG2 THR 45 6.657 22.410 28.081 372 H ARG 46 H ARG 46 5.143 26.838 31.037 373 HA ARG 46 HA ARG 46 4.767 25.727 33.742 374 HE ARG 46 HE ARG 46 7.106 26.897 36.465 375 HB2 ARG 46 1HB ARG 46 6.050 28.306 32.852 376 HB3 ARG 46 2HB ARG 46 5.518 28.043 34.508 377 HG2 ARG 46 1HG ARG 46 6.986 25.945 34.442 378 HG3 ARG 46 2HG ARG 46 7.703 26.663 32.999 379 HD2 ARG 46 1HD ARG 46 9.106 27.484 34.613 380 HD3 ARG 46 2HD ARG 46 7.908 28.776 34.542 381 HH11 ARG 46 1HH1 ARG 46 9.573 29.295 35.932 382 HH12 ARG 46 2HH1 ARG 46 9.797 29.628 37.618 383 HH21 ARG 46 1HH2 ARG 46 7.392 27.326 38.687 384 HH22 ARG 46 2HH2 ARG 46 8.557 28.507 39.184 385 H LYS 47 H LYS 47 2.999 26.693 31.315 386 HA LYS 47 HA LYS 47 0.991 27.945 33.040 387 HB2 LYS 47 1HB LYS 47 2.396 29.552 31.437 388 HB3 LYS 47 2HB LYS 47 1.214 28.992 30.262 389 HG2 LYS 47 1HG LYS 47 -0.505 30.088 31.258 390 HG3 LYS 47 2HG LYS 47 0.188 29.938 32.874 391 HD2 LYS 47 1HD LYS 47 0.336 32.227 32.350 392 HD3 LYS 47 2HD LYS 47 1.962 31.590 32.092 393 HE2 LYS 47 1HE LYS 47 1.887 31.951 29.866 394 HE3 LYS 47 2HE LYS 47 0.186 31.506 29.747 395 HZ1 LYS 47 3HZ LYS 47 1.274 34.105 30.682 396 HZ2 LYS 47 1HZ LYS 47 -0.364 33.684 30.724 397 HZ3 LYS 47 2HZ LYS 47 0.436 33.818 29.240 398 H ALA 48 H ALA 48 -1.148 28.146 31.670 399 HA ALA 48 HA ALA 48 -1.461 25.830 29.903 400 HB1 ALA 48 1HB ALA 48 -3.673 25.405 31.200 401 HB2 ALA 48 2HB ALA 48 -2.152 24.785 31.843 402 HB3 ALA 48 3HB ALA 48 -2.857 26.258 32.510 403 HA PRO 49 HA PRO 49 -1.790 25.576 28.068 404 HB2 PRO 49 1HB PRO 49 -1.184 26.799 25.721 405 HB3 PRO 49 2HB PRO 49 -2.715 25.961 26.000 406 HG2 PRO 49 1HG PRO 49 -2.108 28.889 26.128 407 HG3 PRO 49 2HG PRO 49 -3.507 28.067 25.413 408 HD2 PRO 49 1HD PRO 49 -3.598 29.248 27.848 409 HD3 PRO 49 2HD PRO 49 -4.552 27.804 27.451 410 HA PRO 50 HA PRO 50 2.296 26.948 28.937 411 HB2 PRO 50 1HB PRO 50 3.772 25.542 27.144 412 HB3 PRO 50 2HB PRO 50 2.998 24.796 28.547 413 HG2 PRO 50 1HG PRO 50 2.083 24.874 25.698 414 HG3 PRO 50 2HG PRO 50 2.064 23.520 26.842 415 HD2 PRO 50 1HD PRO 50 -0.142 24.989 26.288 416 HD3 PRO 50 2HD PRO 50 0.145 24.260 27.881 417 H LYS 51 H LYS 51 4.423 27.616 27.680 418 HA LYS 51 HA LYS 51 3.650 29.414 25.477 419 HB2 LYS 51 1HB LYS 51 5.213 29.960 27.963 420 HB3 LYS 51 2HB LYS 51 5.652 30.818 26.492 421 HG2 LYS 51 1HG LYS 51 3.135 31.399 26.365 422 HG3 LYS 51 2HG LYS 51 3.121 30.954 28.073 423 HD2 LYS 51 1HD LYS 51 4.743 32.630 28.595 424 HD3 LYS 51 2HD LYS 51 5.029 32.964 26.885 425 HE2 LYS 51 1HE LYS 51 2.721 33.769 26.671 426 HE3 LYS 51 2HE LYS 51 2.456 33.453 28.385 427 HZ1 LYS 51 3HZ LYS 51 4.048 35.561 27.110 428 HZ2 LYS 51 1HZ LYS 51 4.523 34.998 28.633 429 HZ3 LYS 51 2HZ LYS 51 2.982 35.661 28.419 430 H PHE 52 H PHE 52 5.384 29.989 24.007 431 HA PHE 52 HA PHE 52 7.697 28.194 24.036 432 HD1 PHE 52 HD2 PHE 52 3.952 27.794 23.078 433 HD2 PHE 52 HD1 PHE 52 7.396 25.385 22.403 434 HE1 PHE 52 HE2 PHE 52 2.693 25.802 23.784 435 HE2 PHE 52 HE1 PHE 52 6.143 23.389 23.108 436 HZ PHE 52 HZ PHE 52 3.788 23.596 23.801 437 HB2 PHE 52 1HB PHE 52 5.875 28.542 21.645 438 HB3 PHE 52 2HB PHE 52 7.370 27.613 21.674 439 H TYR 53 H TYR 53 9.502 28.954 22.899 440 HA TYR 53 HA TYR 53 9.431 31.836 22.374 441 HD1 TYR 53 HD1 TYR 53 10.135 33.259 23.744 442 HD2 TYR 53 HD2 TYR 53 13.819 31.654 22.346 443 HE1 TYR 53 HE1 TYR 53 11.151 35.496 23.873 444 HE2 TYR 53 HE2 TYR 53 14.845 33.886 22.472 445 HH TYR 53 HH TYR 53 12.962 36.720 23.493 446 HB2 TYR 53 1HB TYR 53 11.117 30.577 23.967 447 HB3 TYR 53 2HB TYR 53 11.976 30.268 22.463 448 H VAL 54 H VAL 54 9.227 32.452 20.335 449 HA VAL 54 HA VAL 54 10.307 30.717 18.213 450 HB VAL 54 HB VAL 54 8.745 32.033 16.706 451 HG11 VAL 54 1HG1 VAL 54 6.904 30.605 17.146 452 HG12 VAL 54 2HG1 VAL 54 8.352 29.713 17.615 453 HG13 VAL 54 3HG1 VAL 54 7.336 30.458 18.849 454 HG21 VAL 54 3HG2 VAL 54 6.870 33.172 17.737 455 HG22 VAL 54 1HG2 VAL 54 7.510 32.823 19.342 456 HG23 VAL 54 2HG2 VAL 54 8.382 33.910 18.262 457 H HIS 55 H HIS 55 11.249 31.762 16.346 458 HA HIS 55 HA HIS 55 12.203 34.497 16.795 459 HD1 HIS 55 HD1 HIS 55 14.221 35.757 15.698 460 HD2 HIS 55 HD2 HIS 55 16.075 32.136 14.854 461 HE1 HIS 55 HE1 HIS 55 16.058 36.306 14.070 462 HB2 HIS 55 1HB HIS 55 14.098 33.381 17.549 463 HB3 HIS 55 2HB HIS 55 13.878 32.039 16.430 464 H TYR 56 H TYR 56 11.679 35.670 15.085 465 HA TYR 56 HA TYR 56 10.796 34.559 12.641 466 HD1 TYR 56 HD2 TYR 56 8.304 36.145 12.430 467 HD2 TYR 56 HD1 TYR 56 10.919 37.774 15.366 468 HE1 TYR 56 HE2 TYR 56 6.382 36.551 13.909 469 HE2 TYR 56 HE1 TYR 56 9.003 38.183 16.853 470 HH TYR 56 HH TYR 56 6.394 38.564 16.432 471 HB2 TYR 56 1HB TYR 56 11.689 37.406 13.120 472 HB3 TYR 56 2HB TYR 56 10.598 36.833 11.863 473 H VAL 57 H VAL 57 12.063 33.574 11.219 474 HA VAL 57 HA VAL 57 14.853 33.807 11.080 475 HB VAL 57 HB VAL 57 13.007 32.898 8.870 476 HG11 VAL 57 1HG1 VAL 57 15.039 33.011 7.829 477 HG12 VAL 57 2HG1 VAL 57 15.943 32.753 9.322 478 HG13 VAL 57 3HG1 VAL 57 15.147 31.395 8.526 479 HG21 VAL 57 3HG2 VAL 57 12.384 31.375 10.414 480 HG22 VAL 57 1HG2 VAL 57 13.924 30.623 9.997 481 HG23 VAL 57 2HG2 VAL 57 13.804 31.658 11.420 482 H ASN 58 H ASN 58 12.309 35.649 9.592 483 HA ASN 58 HA ASN 58 13.926 36.841 7.558 484 HB2 ASN 58 1HB ASN 58 11.318 37.853 8.710 485 HB3 ASN 58 2HB ASN 58 12.031 38.301 7.163 486 HD21 ASN 58 2HD2 ASN 58 10.411 35.800 8.958 487 HD22 ASN 58 1HD2 ASN 58 9.959 34.838 7.596 488 H TYR 59 H TYR 59 13.390 37.433 10.906 489 HA TYR 59 HA TYR 59 14.728 40.048 10.694 490 HD1 TYR 59 HD2 TYR 59 11.302 38.524 11.033 491 HD2 TYR 59 HD1 TYR 59 12.740 42.393 12.066 492 HE1 TYR 59 HE2 TYR 59 9.356 39.538 9.922 493 HE2 TYR 59 HE1 TYR 59 10.797 43.418 10.959 494 HH TYR 59 HH TYR 59 8.769 41.733 8.876 495 HB2 TYR 59 1HB TYR 59 12.998 38.942 12.915 496 HB3 TYR 59 2HB TYR 59 13.802 40.508 12.947 497 H ASN 60 H ASN 60 15.739 40.434 13.127 498 HA ASN 60 HA ASN 60 17.917 38.519 13.216 499 HB2 ASN 60 1HB ASN 60 17.430 41.194 14.513 500 HB3 ASN 60 2HB ASN 60 18.780 40.170 14.993 501 HD21 ASN 60 2HD2 ASN 60 17.487 42.254 12.584 502 HD22 ASN 60 1HD2 ASN 60 18.880 42.296 11.562 503 H LYS 61 H LYS 61 18.764 37.952 15.474 504 HA LYS 61 HA LYS 61 16.845 36.358 16.777 505 HB2 LYS 61 1HB LYS 61 19.305 35.929 16.746 506 HB3 LYS 61 2HB LYS 61 19.514 37.270 17.865 507 HG2 LYS 61 1HG LYS 61 18.149 36.102 19.522 508 HG3 LYS 61 2HG LYS 61 17.943 34.756 18.400 509 HD2 LYS 61 1HD LYS 61 20.147 34.083 18.599 510 HD3 LYS 61 2HD LYS 61 20.694 35.677 19.124 511 HE2 LYS 61 1HE LYS 61 20.013 35.340 21.297 512 HE3 LYS 61 2HE LYS 61 18.790 34.154 20.842 513 HZ1 LYS 61 3HZ LYS 61 21.684 33.603 20.569 514 HZ2 LYS 61 1HZ LYS 61 20.402 32.499 20.578 515 HZ3 LYS 61 2HZ LYS 61 20.846 33.291 22.005 516 H ARG 62 H ARG 62 17.558 39.668 17.056 517 HA ARG 62 HA ARG 62 16.714 39.960 19.798 518 HE ARG 62 HE ARG 62 17.462 44.488 18.672 519 HB2 ARG 62 1HB ARG 62 17.001 42.330 19.450 520 HB3 ARG 62 2HB ARG 62 18.369 41.483 18.740 521 HG2 ARG 62 1HG ARG 62 17.984 42.780 16.965 522 HG3 ARG 62 2HG ARG 62 16.674 41.648 16.619 523 HD2 ARG 62 1HD ARG 62 15.803 43.878 16.499 524 HD3 ARG 62 2HD ARG 62 15.152 43.101 17.941 525 HH11 ARG 62 1HH1 ARG 62 14.248 45.143 17.506 526 HH12 ARG 62 2HH1 ARG 62 14.143 46.692 18.276 527 HH21 ARG 62 1HH2 ARG 62 17.336 46.525 19.691 528 HH22 ARG 62 2HH2 ARG 62 15.901 47.477 19.518 529 H LEU 63 H LEU 63 15.070 39.229 17.080 530 HA LEU 63 HA LEU 63 12.737 40.892 17.694 531 HG LEU 63 HG LEU 63 11.890 40.957 14.150 532 HB2 LEU 63 1HB LEU 63 13.854 40.103 15.304 533 HB3 LEU 63 2HB LEU 63 12.483 39.009 15.483 534 HD11 LEU 63 1HD1 LEU 63 10.401 39.856 16.076 535 HD12 LEU 63 2HD1 LEU 63 9.827 41.170 15.050 536 HD13 LEU 63 3HD1 LEU 63 10.444 41.518 16.665 537 HD21 LEU 63 3HD2 LEU 63 11.925 42.877 16.342 538 HD22 LEU 63 1HD2 LEU 63 12.435 43.061 14.664 539 HD23 LEU 63 2HD2 LEU 63 13.535 42.354 15.848 540 H ASP 64 H ASP 64 13.966 37.715 18.067 541 HA ASP 64 HA ASP 64 11.708 36.128 18.108 542 HB2 ASP 64 1HB ASP 64 12.925 34.669 19.661 543 HB3 ASP 64 2HB ASP 64 13.983 35.246 18.376 544 H GLU 65 H GLU 65 10.469 35.288 19.934 545 HA GLU 65 HA GLU 65 10.360 36.699 22.404 546 HB2 GLU 65 1HB GLU 65 8.189 37.761 22.147 547 HB3 GLU 65 2HB GLU 65 9.312 38.390 20.950 548 HG2 GLU 65 1HG GLU 65 8.286 37.201 19.204 549 HG3 GLU 65 2HG GLU 65 7.390 36.175 20.323 550 H TRP 66 H TRP 66 7.938 36.182 23.358 551 HA TRP 66 HA TRP 66 7.750 33.262 23.139 552 HD1 TRP 66 HD1 TRP 66 9.318 35.980 25.784 553 HE1 TRP 66 HE1 TRP 66 11.320 34.802 26.894 554 HE3 TRP 66 HE3 TRP 66 7.642 31.155 25.569 555 HZ2 TRP 66 HZ2 TRP 66 12.087 32.175 27.586 556 HZ3 TRP 66 HZ3 TRP 66 9.070 29.369 26.476 557 HH2 TRP 66 HH2 TRP 66 11.246 29.870 27.462 558 HB2 TRP 66 1HB TRP 66 6.816 35.167 25.294 559 HB3 TRP 66 2HB TRP 66 6.508 33.433 25.309 560 H ILE 67 H ILE 67 5.844 32.221 22.691 561 HA ILE 67 HA ILE 67 3.455 33.844 22.206 562 HB ILE 67 HB ILE 67 3.034 32.724 20.061 563 HG12 ILE 67 1HG1 ILE 67 5.874 31.709 20.224 564 HG13 ILE 67 2HG1 ILE 67 4.477 30.716 20.625 565 HG21 ILE 67 1HG2 ILE 67 4.576 34.002 18.737 566 HG22 ILE 67 2HG2 ILE 67 4.176 34.926 20.184 567 HG23 ILE 67 3HG2 ILE 67 5.722 34.085 20.075 568 HD11 ILE 67 3HD1 ILE 67 5.163 31.922 17.960 569 HD12 ILE 67 1HD1 ILE 67 5.121 30.214 18.397 570 HD13 ILE 67 2HD1 ILE 67 3.623 31.141 18.319 571 H THR 68 H THR 68 1.485 32.603 22.086 572 HA THR 68 HA THR 68 1.675 30.116 23.637 573 HB THR 68 HB THR 68 -0.943 30.620 23.740 574 HG1 THR 68 HG1 THR 68 -1.213 32.923 23.872 575 HG21 THR 68 3HG2 THR 68 -0.473 31.955 25.833 576 HG22 THR 68 1HG2 THR 68 1.233 31.891 25.393 577 HG23 THR 68 2HG2 THR 68 0.351 30.400 25.723 578 H THR 69 H THR 69 -0.351 28.649 23.179 579 HA THR 69 HA THR 69 0.000 27.452 20.703 580 HB THR 69 HB THR 69 -1.973 26.137 21.155 581 HG1 THR 69 HG1 THR 69 -3.609 27.081 22.090 582 HG21 THR 69 3HG2 THR 69 -1.459 25.308 23.386 583 HG22 THR 69 1HG2 THR 69 -0.573 26.788 23.752 584 HG23 THR 69 2HG2 THR 69 0.030 25.681 22.518 585 H ASP 70 H ASP 70 -2.482 29.766 21.731 586 HA ASP 70 HA ASP 70 -3.950 29.756 19.322 587 HB2 ASP 70 1HB ASP 70 -3.718 31.699 21.605 588 HB3 ASP 70 2HB ASP 70 -4.684 32.086 20.184 589 H ARG 71 H ARG 71 -0.891 31.006 20.071 590 HA ARG 71 HA ARG 71 -0.985 32.971 17.899 591 HE ARG 71 HE ARG 71 -0.612 35.860 22.066 592 HB2 ARG 71 1HB ARG 71 1.058 32.449 20.061 593 HB3 ARG 71 2HB ARG 71 1.297 33.605 18.757 594 HG2 ARG 71 1HG ARG 71 -0.963 34.593 19.591 595 HG3 ARG 71 2HG ARG 71 -0.570 33.726 21.077 596 HD2 ARG 71 1HD ARG 71 1.681 34.873 20.996 597 HD3 ARG 71 2HD ARG 71 1.020 35.887 19.713 598 HH11 ARG 71 1HH1 ARG 71 2.184 37.297 20.571 599 HH12 ARG 71 2HH1 ARG 71 2.088 38.760 21.494 600 HH21 ARG 71 1HH2 ARG 71 -0.749 37.781 23.289 601 HH22 ARG 71 2HH2 ARG 71 0.420 39.033 23.041 602 H ILE 72 H ILE 72 -0.711 29.857 17.886 603 HA ILE 72 HA ILE 72 1.645 29.761 16.118 604 HB ILE 72 HB ILE 72 0.359 27.503 17.658 605 HG12 ILE 72 1HG1 ILE 72 3.155 28.556 18.010 606 HG13 ILE 72 2HG1 ILE 72 1.800 29.275 18.873 607 HG21 ILE 72 1HG2 ILE 72 1.174 26.451 15.774 608 HG22 ILE 72 2HG2 ILE 72 2.511 27.585 15.590 609 HG23 ILE 72 3HG2 ILE 72 2.560 26.364 16.862 610 HD11 ILE 72 3HD1 ILE 72 2.368 27.775 20.439 611 HD12 ILE 72 1HD1 ILE 72 1.400 26.682 19.449 612 HD13 ILE 72 2HD1 ILE 72 3.156 26.703 19.282 613 H ASN 73 H ASN 73 1.444 28.968 14.075 614 HA ASN 73 HA ASN 73 -1.293 28.520 13.130 615 HB2 ASN 73 1HB ASN 73 0.539 30.193 12.129 616 HB3 ASN 73 2HB ASN 73 0.976 28.750 11.219 617 HD21 ASN 73 2HD2 ASN 73 0.124 28.812 9.280 618 HD22 ASN 73 1HD2 ASN 73 -1.468 29.350 8.880 619 H LEU 74 H LEU 74 -1.830 26.426 13.273 620 HA LEU 74 HA LEU 74 0.141 24.375 12.607 621 HG LEU 74 HG LEU 74 -0.722 24.907 15.352 622 HB2 LEU 74 1HB LEU 74 -2.611 24.235 13.819 623 HB3 LEU 74 2HB LEU 74 -1.658 22.812 13.401 624 HD11 LEU 74 1HD1 LEU 74 -2.714 24.029 16.300 625 HD12 LEU 74 2HD1 LEU 74 -1.364 23.211 17.086 626 HD13 LEU 74 3HD1 LEU 74 -2.288 22.382 15.833 627 HD21 LEU 74 3HD2 LEU 74 1.062 23.569 15.749 628 HD22 LEU 74 1HD2 LEU 74 0.750 23.073 14.085 629 HD23 LEU 74 2HD2 LEU 74 0.164 22.085 15.424 630 H ASP 75 H ASP 75 -1.184 26.157 10.609 631 HA ASP 75 HA ASP 75 -2.723 24.203 9.057 632 HB2 ASP 75 1HB ASP 75 -2.556 27.168 9.112 633 HB3 ASP 75 2HB ASP 75 -2.862 26.419 7.547 634 H LYS 76 H LYS 76 0.329 25.805 9.183 635 HA LYS 76 HA LYS 76 0.995 24.959 6.456 636 HB2 LYS 76 1HB LYS 76 1.971 27.050 8.290 637 HB3 LYS 76 2HB LYS 76 3.223 26.238 7.360 638 HG2 LYS 76 1HG LYS 76 2.614 27.223 5.446 639 HG3 LYS 76 2HG LYS 76 0.891 27.047 5.787 640 HD2 LYS 76 1HD LYS 76 1.358 28.908 7.567 641 HD3 LYS 76 2HD LYS 76 2.770 29.238 6.561 642 HE2 LYS 76 1HE LYS 76 1.046 30.660 5.781 643 HE3 LYS 76 2HE LYS 76 1.192 29.361 4.597 644 HZ1 LYS 76 3HZ LYS 76 -1.097 30.160 5.885 645 HZ2 LYS 76 1HZ LYS 76 -0.682 28.700 6.632 646 HZ3 LYS 76 2HZ LYS 76 -0.899 28.761 4.956 647 H GLU 77 H GLU 77 2.726 23.596 6.011 648 HA GLU 77 HA GLU 77 3.155 21.445 7.699 649 HB2 GLU 77 1HB GLU 77 5.085 22.438 5.596 650 HB3 GLU 77 2HB GLU 77 4.960 20.799 6.219 651 HG2 GLU 77 1HG GLU 77 2.707 20.622 5.267 652 HG3 GLU 77 2HG GLU 77 2.871 22.250 4.610 653 H VAL 78 H VAL 78 4.858 20.804 9.037 654 HA VAL 78 HA VAL 78 6.333 23.037 10.234 655 HB VAL 78 HB VAL 78 5.792 20.259 11.289 656 HG11 VAL 78 1HG1 VAL 78 7.911 20.932 12.136 657 HG12 VAL 78 2HG1 VAL 78 7.326 22.562 12.478 658 HG13 VAL 78 3HG1 VAL 78 6.732 21.194 13.421 659 HG21 VAL 78 3HG2 VAL 78 4.569 21.722 13.051 660 HG22 VAL 78 1HG2 VAL 78 4.581 22.948 11.784 661 HG23 VAL 78 2HG2 VAL 78 3.787 21.399 11.504 662 H LEU 79 H LEU 79 8.543 23.034 10.460 663 HA LEU 79 HA LEU 79 9.973 21.115 8.770 664 HG LEU 79 HG LEU 79 11.536 24.075 7.356 665 HB2 LEU 79 1HB LEU 79 10.230 23.930 9.328 666 HB3 LEU 79 2HB LEU 79 11.748 23.093 9.647 667 HD11 LEU 79 1HD1 LEU 79 12.740 22.370 6.369 668 HD12 LEU 79 2HD1 LEU 79 11.770 21.105 7.123 669 HD13 LEU 79 3HD1 LEU 79 12.934 22.014 8.086 670 HD21 LEU 79 3HD2 LEU 79 9.928 23.478 5.894 671 HD22 LEU 79 1HD2 LEU 79 9.028 23.087 7.359 672 HD23 LEU 79 2HD2 LEU 79 9.867 21.813 6.474 673 H TYR 80 H TYR 80 11.350 19.660 9.582 674 HA TYR 80 HA TYR 80 12.126 19.913 12.413 675 HD1 TYR 80 HD2 TYR 80 11.293 17.936 14.538 676 HD2 TYR 80 HD1 TYR 80 8.847 18.332 11.080 677 HE1 TYR 80 HE2 TYR 80 9.310 18.164 15.974 678 HE2 TYR 80 HE1 TYR 80 6.857 18.563 12.506 679 HH TYR 80 HH TYR 80 6.196 17.853 14.873 680 HB2 TYR 80 1HB TYR 80 11.122 17.516 10.902 681 HB3 TYR 80 2HB TYR 80 12.131 17.324 12.331 682 HA PRO 81 HA PRO 81 16.308 19.342 11.217 683 HB2 PRO 81 1HB PRO 81 17.287 17.875 13.281 684 HB3 PRO 81 2HB PRO 81 16.864 19.584 13.433 685 HG2 PRO 81 1HG PRO 81 15.289 17.166 14.228 686 HG3 PRO 81 2HG PRO 81 15.527 18.685 15.110 687 HD2 PRO 81 1HD PRO 81 13.275 18.155 13.704 688 HD3 PRO 81 2HD PRO 81 13.926 19.797 13.880 689 H LYS 82 H LYS 82 17.911 17.791 10.550 690 HA LYS 82 HA LYS 82 16.708 15.240 9.739 691 HB2 LYS 82 1HB LYS 82 17.577 16.702 7.946 692 HB3 LYS 82 2HB LYS 82 19.175 16.632 8.677 693 HG2 LYS 82 1HG LYS 82 19.635 14.693 7.698 694 HG3 LYS 82 2HG LYS 82 18.097 13.988 8.203 695 HD2 LYS 82 1HD LYS 82 16.982 15.103 6.321 696 HD3 LYS 82 2HD LYS 82 18.530 15.781 5.812 697 HE2 LYS 82 1HE LYS 82 19.385 13.432 5.615 698 HE3 LYS 82 2HE LYS 82 17.736 12.875 5.898 699 HZ1 LYS 82 3HZ LYS 82 17.203 14.463 3.937 700 HZ2 LYS 82 1HZ LYS 82 17.836 12.926 3.622 701 HZ3 LYS 82 2HZ LYS 82 18.844 14.283 3.569 702 H LEU 83 H LEU 83 17.594 13.299 10.275 703 HA LEU 83 HA LEU 83 19.757 13.369 12.258 704 HG LEU 83 HG LEU 83 17.209 11.488 14.151 705 HB2 LEU 83 1HB LEU 83 17.482 11.514 11.725 706 HB3 LEU 83 2HB LEU 83 18.921 10.901 12.537 707 HD11 LEU 83 1HD1 LEU 83 19.441 13.510 14.228 708 HD12 LEU 83 2HD1 LEU 83 19.604 11.818 14.699 709 HD13 LEU 83 3HD1 LEU 83 18.522 12.883 15.597 710 HD21 LEU 83 3HD2 LEU 83 16.046 13.183 12.814 711 HD22 LEU 83 1HD2 LEU 83 17.407 14.283 13.033 712 HD23 LEU 83 2HD2 LEU 83 16.446 13.781 14.425 713 H LYS 84 H LYS 84 21.538 11.998 12.106 714 HA LYS 84 HA LYS 84 21.865 10.205 9.887 715 HB2 LYS 84 1HB LYS 84 22.299 12.347 8.774 716 HB3 LYS 84 2HB LYS 84 23.517 12.737 9.981 717 HG2 LYS 84 1HG LYS 84 24.920 10.941 9.226 718 HG3 LYS 84 2HG LYS 84 23.668 10.378 8.116 719 HD2 LYS 84 1HD LYS 84 25.007 11.581 6.686 720 HD3 LYS 84 2HD LYS 84 23.847 12.820 7.172 721 HE2 LYS 84 1HE LYS 84 25.374 13.816 8.656 722 HE3 LYS 84 2HE LYS 84 26.441 12.413 8.630 723 HZ1 LYS 84 3HZ LYS 84 25.952 13.833 6.114 724 HZ2 LYS 84 1HZ LYS 84 27.336 13.013 6.639 725 HZ3 LYS 84 2HZ LYS 84 26.983 14.551 7.247 726 H ALA 85 H ALA 85 23.345 8.665 10.340 727 HA ALA 85 HA ALA 85 25.125 9.124 12.645 728 HB1 ALA 85 1HB ALA 85 24.749 6.432 12.688 729 HB2 ALA 85 2HB ALA 85 23.857 7.588 13.677 730 HB3 ALA 85 3HB ALA 85 23.162 7.000 12.167 731 H THR 86 H THR 86 27.040 7.709 12.684 732 HA THR 86 HA THR 86 27.863 6.722 10.049 733 HB THR 86 HB THR 86 28.746 9.005 10.211 734 HG1 THR 86 HG1 THR 86 30.170 7.834 9.092 735 HG21 THR 86 3HG2 THR 86 30.468 8.139 12.509 736 HG22 THR 86 1HG2 THR 86 28.879 8.849 12.791 737 HG23 THR 86 2HG2 THR 86 30.117 9.769 11.935 738 H ASP 87 H ASP 87 29.660 5.248 10.110 739 HA ASP 87 HA ASP 87 30.004 3.982 12.749 740 HB2 ASP 87 1HB ASP 87 29.995 2.708 10.005 741 HB3 ASP 87 2HB ASP 87 30.372 1.859 11.502 742 H GLU 88 H GLU 88 31.971 4.213 13.559 743 HA GLU 88 HA GLU 88 34.247 4.393 11.695 744 HB2 GLU 88 1HB GLU 88 35.368 5.843 13.270 745 HB3 GLU 88 2HB GLU 88 33.784 6.509 12.900 746 HG2 GLU 88 1HG GLU 88 32.912 5.630 14.998 747 HG3 GLU 88 2HG GLU 88 34.491 4.941 15.369 748 H ASP 89 H ASP 89 33.033 2.019 12.971 749 HA ASP 89 HA ASP 89 35.368 1.120 14.529 750 HB2 ASP 89 1HB ASP 89 32.534 0.083 14.743 751 HB3 ASP 89 2HB ASP 89 33.909 -0.415 15.725 Start of MODEL 15 1 H1 GLY -2 H GLY -2 32.252 -3.458 -10.302 2 HA2 GLY -2 1HA GLY -2 31.298 -2.417 -7.711 3 HA3 GLY -2 2HA GLY -2 31.541 -1.340 -9.078 4 H SER -1 H SER -1 29.302 -0.763 -8.861 5 HA SER -1 HA SER -1 27.285 -2.768 -9.334 6 HG SER -1 HG SER -1 25.004 -1.573 -8.568 7 HB2 SER -1 1HB SER -1 26.887 -0.769 -7.891 8 HB3 SER -1 2HB SER -1 26.994 0.245 -9.329 9 H HIS 0 H HIS 0 27.551 -3.656 -11.337 10 HA HIS 0 HA HIS 0 28.205 -2.272 -13.686 11 HD1 HIS 0 HD1 HIS 0 27.229 -5.668 -11.369 12 HD2 HIS 0 HD2 HIS 0 24.809 -5.292 -14.725 13 HE1 HIS 0 HE1 HIS 0 25.196 -7.070 -10.893 14 HB2 HIS 0 1HB HIS 0 27.359 -4.271 -14.870 15 HB3 HIS 0 2HB HIS 0 28.418 -4.692 -13.527 16 H MET 1 H MET 1 25.135 -2.849 -12.102 17 HA MET 1 HA MET 1 23.524 -1.980 -14.300 18 HB2 MET 1 1HB MET 1 23.003 -2.542 -11.398 19 HB3 MET 1 2HB MET 1 21.769 -1.781 -12.393 20 HG2 MET 1 1HG MET 1 22.271 -3.802 -13.990 21 HG3 MET 1 2HG MET 1 22.865 -4.540 -12.505 22 HE1 MET 1 3HE MET 1 20.339 -3.485 -14.706 23 HE2 MET 1 1HE MET 1 19.147 -4.728 -14.323 24 HE3 MET 1 2HE MET 1 18.898 -3.069 -13.777 25 H SER 2 H SER 2 22.072 -0.080 -14.160 26 HA SER 2 HA SER 2 23.334 2.183 -12.762 27 HG SER 2 HG SER 2 23.380 4.304 -14.122 28 HB2 SER 2 1HB SER 2 23.978 2.331 -15.098 29 HB3 SER 2 2HB SER 2 22.301 2.138 -15.607 30 H HIS 3 H HIS 3 21.978 3.261 -11.499 31 HA HIS 3 HA HIS 3 19.100 3.176 -12.120 32 HD1 HIS 3 HD1 HIS 3 17.586 1.219 -11.286 33 HD2 HIS 3 HD2 HIS 3 21.050 0.325 -9.173 34 HE1 HIS 3 HE1 HIS 3 17.694 -1.292 -11.203 35 HB2 HIS 3 1HB HIS 3 20.424 2.937 -9.413 36 HB3 HIS 3 2HB HIS 3 18.698 3.195 -9.643 37 H ASP 4 H ASP 4 17.937 4.915 -10.687 38 HA ASP 4 HA ASP 4 19.549 7.363 -10.562 39 HB2 ASP 4 1HB ASP 4 17.372 8.494 -11.507 40 HB3 ASP 4 2HB ASP 4 18.556 7.789 -12.605 41 H GLY 5 H GLY 5 18.890 8.876 -9.037 42 HA2 GLY 5 1HA GLY 5 16.496 8.991 -7.663 43 HA3 GLY 5 2HA GLY 5 17.482 7.824 -6.794 44 H LYS 6 H LYS 6 16.467 10.605 -6.165 45 HA LYS 6 HA LYS 6 19.033 11.624 -5.179 46 HB2 LYS 6 1HB LYS 6 18.406 13.921 -5.726 47 HB3 LYS 6 2HB LYS 6 18.481 12.933 -7.178 48 HG2 LYS 6 1HG LYS 6 15.989 12.675 -7.009 49 HG3 LYS 6 2HG LYS 6 16.027 13.891 -5.730 50 HD2 LYS 6 1HD LYS 6 17.208 15.405 -7.369 51 HD3 LYS 6 2HD LYS 6 16.827 14.215 -8.616 52 HE2 LYS 6 1HE LYS 6 14.703 15.385 -6.847 53 HE3 LYS 6 2HE LYS 6 15.231 16.199 -8.318 54 HZ1 LYS 6 3HZ LYS 6 13.353 14.186 -8.106 55 HZ2 LYS 6 1HZ LYS 6 14.698 13.468 -8.838 56 HZ3 LYS 6 2HZ LYS 6 13.992 14.841 -9.529 57 H GLU 7 H GLU 7 18.980 12.403 -3.129 58 HA GLU 7 HA GLU 7 16.392 12.905 -1.865 59 HB2 GLU 7 1HB GLU 7 17.162 10.484 -1.513 60 HB3 GLU 7 2HB GLU 7 18.436 11.159 -0.507 61 HG2 GLU 7 1HG GLU 7 16.869 12.037 1.041 62 HG3 GLU 7 2HG GLU 7 15.517 11.690 -0.036 63 H GLU 8 H GLU 8 16.435 14.442 -0.282 64 HA GLU 8 HA GLU 8 19.060 15.494 0.522 65 HB2 GLU 8 1HB GLU 8 16.798 16.937 -0.778 66 HB3 GLU 8 2HB GLU 8 17.718 17.786 0.456 67 HG2 GLU 8 1HG GLU 8 18.803 16.575 -2.075 68 HG3 GLU 8 2HG GLU 8 18.596 18.291 -1.728 69 HA PRO 9 HA PRO 9 17.519 15.627 4.626 70 HB2 PRO 9 1HB PRO 9 18.624 17.909 5.595 71 HB3 PRO 9 2HB PRO 9 19.566 16.450 5.268 72 HG2 PRO 9 1HG PRO 9 19.246 18.912 3.595 73 HG3 PRO 9 2HG PRO 9 20.713 17.978 3.942 74 HD2 PRO 9 1HD PRO 9 19.344 17.731 1.619 75 HD3 PRO 9 2HD PRO 9 20.218 16.376 2.361 76 H GLY 10 H GLY 10 16.392 17.082 6.262 77 HA2 GLY 10 1HA GLY 10 14.932 18.887 6.737 78 HA3 GLY 10 2HA GLY 10 14.782 19.187 5.012 79 H ILE 11 H ILE 11 13.430 17.663 7.741 80 HA ILE 11 HA ILE 11 11.588 16.076 6.104 81 HB ILE 11 HB ILE 11 11.811 16.109 9.113 82 HG12 ILE 11 1HG1 ILE 11 12.884 13.750 8.465 83 HG13 ILE 11 2HG1 ILE 11 13.348 14.645 7.023 84 HG21 ILE 11 1HG2 ILE 11 10.047 14.765 9.095 85 HG22 ILE 11 2HG2 ILE 11 9.912 14.999 7.353 86 HG23 ILE 11 3HG2 ILE 11 10.865 13.659 7.991 87 HD11 ILE 11 3HD1 ILE 11 15.001 15.642 8.099 88 HD12 ILE 11 1HD1 ILE 11 13.924 16.166 9.394 89 HD13 ILE 11 2HD1 ILE 11 14.675 14.571 9.461 90 H ALA 12 H ALA 12 9.758 17.017 5.511 91 HA ALA 12 HA ALA 12 8.618 19.124 7.215 92 HB1 ALA 12 1HB ALA 12 8.402 18.557 4.277 93 HB2 ALA 12 2HB ALA 12 7.257 19.615 5.103 94 HB3 ALA 12 3HB ALA 12 8.974 20.017 5.085 95 H LYS 13 H LYS 13 6.924 18.611 8.419 96 HA LYS 13 HA LYS 13 4.952 16.706 7.389 97 HB2 LYS 13 1HB LYS 13 4.893 15.415 9.379 98 HB3 LYS 13 2HB LYS 13 6.589 15.545 8.932 99 HG2 LYS 13 1HG LYS 13 6.901 17.304 10.591 100 HG3 LYS 13 2HG LYS 13 5.196 17.194 11.033 101 HD2 LYS 13 1HD LYS 13 6.309 15.917 12.654 102 HD3 LYS 13 2HD LYS 13 5.667 14.727 11.519 103 HE2 LYS 13 1HE LYS 13 7.725 14.136 10.767 104 HE3 LYS 13 2HE LYS 13 8.383 15.759 10.967 105 HZ1 LYS 13 3HZ LYS 13 8.895 15.383 13.150 106 HZ2 LYS 13 1HZ LYS 13 9.130 13.829 12.523 107 HZ3 LYS 13 2HZ LYS 13 7.706 14.198 13.359 108 H LYS 14 H LYS 14 2.851 17.004 8.164 109 HA LYS 14 HA LYS 14 2.395 19.629 9.385 110 HB2 LYS 14 1HB LYS 14 0.720 17.812 7.678 111 HB3 LYS 14 2HB LYS 14 -0.034 19.076 8.641 112 HG2 LYS 14 1HG LYS 14 0.974 20.780 7.423 113 HG3 LYS 14 2HG LYS 14 2.218 19.709 6.773 114 HD2 LYS 14 1HD LYS 14 0.713 20.129 4.995 115 HD3 LYS 14 2HD LYS 14 0.357 18.496 5.562 116 HE2 LYS 14 1HE LYS 14 -1.146 20.820 6.687 117 HE3 LYS 14 2HE LYS 14 -1.583 20.182 5.103 118 HZ1 LYS 14 3HZ LYS 14 -2.805 18.712 6.209 119 HZ2 LYS 14 1HZ LYS 14 -2.104 19.106 7.697 120 HZ3 LYS 14 2HZ LYS 14 -1.362 17.970 6.687 121 H ILE 15 H ILE 15 2.050 19.671 11.498 122 HA ILE 15 HA ILE 15 0.852 17.319 12.792 123 HB ILE 15 HB ILE 15 1.735 18.236 14.904 124 HG12 ILE 15 1HG1 ILE 15 3.333 20.209 13.300 125 HG13 ILE 15 2HG1 ILE 15 1.734 20.638 13.898 126 HG21 ILE 15 1HG2 ILE 15 3.367 17.372 12.634 127 HG22 ILE 15 2HG2 ILE 15 4.273 18.182 13.911 128 HG23 ILE 15 3HG2 ILE 15 3.303 16.758 14.286 129 HD11 ILE 15 3HD1 ILE 15 4.120 20.911 15.244 130 HD12 ILE 15 1HD1 ILE 15 2.505 20.994 15.947 131 HD13 ILE 15 2HD1 ILE 15 3.396 19.472 15.962 132 H ASN 16 H ASN 16 -0.315 18.065 14.948 133 HA ASN 16 HA ASN 16 -1.995 20.407 14.434 134 HB2 ASN 16 1HB ASN 16 -4.042 19.160 14.882 135 HB3 ASN 16 2HB ASN 16 -3.193 18.450 13.513 136 HD21 ASN 16 2HD2 ASN 16 -4.087 18.061 16.850 137 HD22 ASN 16 1HD2 ASN 16 -3.734 16.373 16.956 138 H SER 17 H SER 17 0.129 19.289 16.401 139 HA SER 17 HA SER 17 -1.235 20.284 18.794 140 HG SER 17 HG SER 17 -2.238 17.676 19.303 141 HB2 SER 17 1HB SER 17 0.511 17.818 18.870 142 HB3 SER 17 2HB SER 17 -0.462 18.489 20.179 143 H VAL 18 H VAL 18 0.030 21.491 20.133 144 HA VAL 18 HA VAL 18 2.558 22.382 19.086 145 HB VAL 18 HB VAL 18 2.566 23.995 20.879 146 HG11 VAL 18 1HG1 VAL 18 -0.209 23.642 19.749 147 HG12 VAL 18 2HG1 VAL 18 0.428 25.126 20.461 148 HG13 VAL 18 3HG1 VAL 18 1.133 24.486 18.976 149 HG21 VAL 18 3HG2 VAL 18 1.852 23.253 22.869 150 HG22 VAL 18 1HG2 VAL 18 0.247 23.722 22.308 151 HG23 VAL 18 2HG2 VAL 18 0.785 22.051 22.142 152 H ASP 19 H ASP 19 1.544 19.983 21.272 153 HA ASP 19 HA ASP 19 3.680 19.943 23.096 154 HB2 ASP 19 1HB ASP 19 1.784 17.824 22.108 155 HB3 ASP 19 2HB ASP 19 3.055 17.449 23.269 156 H ASP 20 H ASP 20 3.290 18.510 19.900 157 HA ASP 20 HA ASP 20 5.835 17.148 20.029 158 HB2 ASP 20 1HB ASP 20 3.657 17.405 17.992 159 HB3 ASP 20 2HB ASP 20 5.251 16.859 17.478 160 H ILE 21 H ILE 21 6.534 19.595 20.590 161 HA ILE 21 HA ILE 21 7.699 20.640 18.096 162 HB ILE 21 HB ILE 21 6.681 22.264 20.429 163 HG12 ILE 21 1HG1 ILE 21 5.809 22.187 17.532 164 HG13 ILE 21 2HG1 ILE 21 4.937 21.454 18.874 165 HG21 ILE 21 1HG2 ILE 21 7.374 24.223 19.094 166 HG22 ILE 21 2HG2 ILE 21 8.735 23.226 19.604 167 HG23 ILE 21 3HG2 ILE 21 8.149 23.133 17.944 168 HD11 ILE 21 3HD1 ILE 21 4.620 23.666 19.863 169 HD12 ILE 21 1HD1 ILE 21 5.472 24.391 18.500 170 HD13 ILE 21 2HD1 ILE 21 3.937 23.562 18.241 171 H ILE 22 H ILE 22 9.821 21.288 18.171 172 HA ILE 22 HA ILE 22 11.222 20.991 20.742 173 HB ILE 22 HB ILE 22 13.159 20.033 19.432 174 HG12 ILE 22 1HG1 ILE 22 11.051 19.399 17.367 175 HG13 ILE 22 2HG1 ILE 22 12.165 20.752 17.204 176 HG21 ILE 22 1HG2 ILE 22 11.052 18.026 19.113 177 HG22 ILE 22 2HG2 ILE 22 12.514 17.992 20.098 178 HG23 ILE 22 3HG2 ILE 22 11.072 18.818 20.689 179 HD11 ILE 22 3HD1 ILE 22 13.503 19.325 16.160 180 HD12 ILE 22 1HD1 ILE 22 13.826 18.631 17.749 181 HD13 ILE 22 2HD1 ILE 22 12.582 17.928 16.715 182 H ILE 23 H ILE 23 13.679 21.720 20.248 183 HA ILE 23 HA ILE 23 13.499 24.514 19.721 184 HB ILE 23 HB ILE 23 15.908 22.747 20.155 185 HG12 ILE 23 1HG1 ILE 23 15.827 24.213 22.350 186 HG13 ILE 23 2HG1 ILE 23 14.126 24.371 21.927 187 HG21 ILE 23 1HG2 ILE 23 16.681 24.633 18.947 188 HG22 ILE 23 2HG2 ILE 23 15.680 25.734 19.891 189 HG23 ILE 23 3HG2 ILE 23 17.061 24.935 20.642 190 HD11 ILE 23 3HD1 ILE 23 13.728 22.097 22.196 191 HD12 ILE 23 1HD1 ILE 23 15.440 21.688 22.093 192 HD13 ILE 23 2HD1 ILE 23 14.812 22.502 23.527 193 H LYS 24 H LYS 24 14.499 21.725 17.873 194 HA LYS 24 HA LYS 24 15.610 23.354 15.738 195 HB2 LYS 24 1HB LYS 24 15.176 20.364 15.795 196 HB3 LYS 24 2HB LYS 24 16.195 21.263 14.678 197 HG2 LYS 24 1HG LYS 24 16.651 21.068 17.648 198 HG3 LYS 24 2HG LYS 24 17.474 20.096 16.426 199 HD2 LYS 24 1HD LYS 24 17.516 23.093 16.303 200 HD3 LYS 24 2HD LYS 24 18.651 22.210 17.327 201 HE2 LYS 24 1HE LYS 24 19.715 21.230 15.525 202 HE3 LYS 24 2HE LYS 24 18.323 21.428 14.462 203 HZ1 LYS 24 3HZ LYS 24 20.504 23.228 14.975 204 HZ2 LYS 24 1HZ LYS 24 18.989 23.976 15.071 205 HZ3 LYS 24 2HZ LYS 24 19.443 23.163 13.659 206 H CYS 25 H CYS 25 12.589 22.769 16.672 207 HA CYS 25 HA CYS 25 11.443 22.064 14.102 208 HG CYS 25 HG CYS 25 7.662 22.046 16.026 209 HB2 CYS 25 1HB CYS 25 10.297 21.129 15.956 210 HB3 CYS 25 2HB CYS 25 10.265 22.667 16.810 211 H GLN 26 H GLN 26 10.383 23.419 12.727 212 HA GLN 26 HA GLN 26 10.329 26.275 13.443 213 HB2 GLN 26 1HB GLN 26 11.003 25.097 10.742 214 HB3 GLN 26 2HB GLN 26 10.876 26.813 11.107 215 HG2 GLN 26 1HG GLN 26 12.762 26.670 12.609 216 HG3 GLN 26 2HG GLN 26 12.860 24.928 12.357 217 HE21 GLN 26 2HE2 GLN 26 14.645 24.550 11.252 218 HE22 GLN 26 1HE2 GLN 26 15.148 25.380 9.823 219 H CYS 27 H CYS 27 8.420 27.247 13.214 220 HA CYS 27 HA CYS 27 6.420 26.037 11.432 221 HG CYS 27 HG CYS 27 4.868 28.349 14.769 222 HB2 CYS 27 1HB CYS 27 4.675 26.372 13.094 223 HB3 CYS 27 2HB CYS 27 5.946 25.353 13.759 224 H TRP 28 H TRP 28 4.356 27.748 11.741 225 HA TRP 28 HA TRP 28 5.512 30.343 10.958 226 HD1 TRP 28 HD1 TRP 28 4.910 27.220 8.733 227 HE1 TRP 28 HE1 TRP 28 6.308 27.555 6.598 228 HE3 TRP 28 HE3 TRP 28 4.507 32.297 8.286 229 HZ2 TRP 28 HZ2 TRP 28 7.132 29.689 4.944 230 HZ3 TRP 28 HZ3 TRP 28 5.631 33.408 6.400 231 HH2 TRP 28 HH2 TRP 28 6.916 32.129 4.765 232 HB2 TRP 28 1HB TRP 28 3.098 28.861 9.933 233 HB3 TRP 28 2HB TRP 28 3.305 30.590 9.668 234 H VAL 29 H VAL 29 4.799 32.161 11.932 235 HA VAL 29 HA VAL 29 2.667 31.852 13.945 236 HB VAL 29 HB VAL 29 4.980 33.796 13.990 237 HG11 VAL 29 1HG1 VAL 29 3.659 34.943 15.375 238 HG12 VAL 29 2HG1 VAL 29 2.488 33.627 15.478 239 HG13 VAL 29 3HG1 VAL 29 3.908 33.629 16.524 240 HG21 VAL 29 3HG2 VAL 29 4.514 31.385 15.740 241 HG22 VAL 29 1HG2 VAL 29 5.611 31.415 14.359 242 HG23 VAL 29 2HG2 VAL 29 5.915 32.457 15.750 243 H GLN 30 H GLN 30 1.062 33.377 14.074 244 HA GLN 30 HA GLN 30 0.678 35.008 11.712 245 HB2 GLN 30 1HB GLN 30 -1.092 33.577 12.996 246 HB3 GLN 30 2HB GLN 30 -1.197 34.981 14.050 247 HG2 GLN 30 1HG GLN 30 -1.512 36.277 11.807 248 HG3 GLN 30 2HG GLN 30 -1.981 34.693 11.193 249 HE21 GLN 30 2HE2 GLN 30 -3.305 33.617 13.303 250 HE22 GLN 30 1HE2 GLN 30 -4.726 34.537 13.647 251 H LYS 31 H LYS 31 1.424 37.008 11.590 252 HA LYS 31 HA LYS 31 1.196 38.768 13.912 253 HB2 LYS 31 1HB LYS 31 3.745 38.086 12.478 254 HB3 LYS 31 2HB LYS 31 3.548 39.655 13.249 255 HG2 LYS 31 1HG LYS 31 3.043 37.130 14.773 256 HG3 LYS 31 2HG LYS 31 4.681 37.753 14.560 257 HD2 LYS 31 1HD LYS 31 2.482 39.520 15.577 258 HD3 LYS 31 2HD LYS 31 3.352 38.438 16.667 259 HE2 LYS 31 1HE LYS 31 5.407 39.518 16.261 260 HE3 LYS 31 2HE LYS 31 4.775 40.360 14.847 261 HZ1 LYS 31 3HZ LYS 31 3.338 41.648 16.306 262 HZ2 LYS 31 1HZ LYS 31 4.962 41.841 16.740 263 HZ3 LYS 31 2HZ LYS 31 3.953 40.843 17.660 264 H ASN 32 H ASN 32 0.654 40.824 13.401 265 HA ASN 32 HA ASN 32 -0.154 42.544 12.146 266 HB2 ASN 32 1HB ASN 32 2.141 41.762 10.335 267 HB3 ASN 32 2HB ASN 32 1.283 43.299 10.295 268 HD21 ASN 32 2HD2 ASN 32 1.102 44.176 12.725 269 HD22 ASN 32 1HD2 ASN 32 2.638 44.307 13.506 270 H ASP 33 H ASP 33 -1.701 40.398 11.810 271 HA ASP 33 HA ASP 33 -3.190 39.349 10.440 272 HB2 ASP 33 1HB ASP 33 -3.648 41.852 10.070 273 HB3 ASP 33 2HB ASP 33 -2.810 41.649 8.534 274 H GLU 34 H GLU 34 -0.306 38.839 10.024 275 HA GLU 34 HA GLU 34 -0.549 37.613 7.377 276 HB2 GLU 34 1HB GLU 34 1.680 39.410 8.299 277 HB3 GLU 34 2HB GLU 34 1.937 38.203 7.046 278 HG2 GLU 34 1HG GLU 34 -0.350 40.069 6.741 279 HG3 GLU 34 2HG GLU 34 1.278 40.690 6.475 280 H GLU 35 H GLU 35 1.612 36.208 7.075 281 HA GLU 35 HA GLU 35 2.046 34.749 9.597 282 HB2 GLU 35 1HB GLU 35 2.161 32.663 8.198 283 HB3 GLU 35 2HB GLU 35 0.566 33.393 8.311 284 HG2 GLU 35 1HG GLU 35 1.884 34.494 6.052 285 HG3 GLU 35 2HG GLU 35 2.051 32.740 5.995 286 H ARG 36 H ARG 36 4.109 34.575 10.158 287 HA ARG 36 HA ARG 36 6.160 34.788 8.053 288 HE ARG 36 HE ARG 36 3.891 39.038 8.221 289 HB2 ARG 36 1HB ARG 36 6.112 35.996 10.815 290 HB3 ARG 36 2HB ARG 36 7.599 35.816 9.893 291 HG2 ARG 36 1HG ARG 36 7.072 37.928 9.282 292 HG3 ARG 36 2HG ARG 36 6.147 37.064 8.051 293 HD2 ARG 36 1HD ARG 36 4.161 37.187 9.532 294 HD3 ARG 36 2HD ARG 36 5.104 38.161 10.659 295 HH11 ARG 36 1HH1 ARG 36 6.528 39.591 10.426 296 HH12 ARG 36 2HH1 ARG 36 6.716 41.257 9.989 297 HH21 ARG 36 1HH2 ARG 36 4.129 41.230 7.637 298 HH22 ARG 36 2HH2 ARG 36 5.350 42.188 8.403 299 H LEU 37 H LEU 37 7.812 33.344 8.095 300 HA LEU 37 HA LEU 37 7.480 30.933 9.526 301 HG LEU 37 HG LEU 37 9.829 29.582 9.471 302 HB2 LEU 37 1HB LEU 37 8.620 31.222 7.309 303 HB3 LEU 37 2HB LEU 37 9.994 31.900 8.180 304 HD11 LEU 37 1HD1 LEU 37 7.919 28.693 8.369 305 HD12 LEU 37 2HD1 LEU 37 9.323 27.803 7.781 306 HD13 LEU 37 3HD1 LEU 37 8.590 29.054 6.778 307 HD21 LEU 37 3HD2 LEU 37 11.540 30.713 7.687 308 HD22 LEU 37 1HD2 LEU 37 11.082 29.234 6.843 309 HD23 LEU 37 2HD2 LEU 37 11.783 29.146 8.459 310 H ALA 38 H ALA 38 7.712 30.807 11.663 311 HA ALA 38 HA ALA 38 9.949 32.242 12.928 312 HB1 ALA 38 1HB ALA 38 7.943 31.080 14.709 313 HB2 ALA 38 2HB ALA 38 8.632 32.703 14.678 314 HB3 ALA 38 3HB ALA 38 7.302 32.289 13.597 315 H GLU 39 H GLU 39 11.555 31.139 13.871 316 HA GLU 39 HA GLU 39 11.379 28.213 13.870 317 HB2 GLU 39 1HB GLU 39 13.271 29.023 12.656 318 HB3 GLU 39 2HB GLU 39 13.724 30.108 13.963 319 HG2 GLU 39 1HG GLU 39 14.548 28.386 15.280 320 HG3 GLU 39 2HG GLU 39 13.656 27.151 14.394 321 H ILE 40 H ILE 40 11.333 27.060 15.695 322 HA ILE 40 HA ILE 40 10.915 28.295 18.194 323 HB ILE 40 HB ILE 40 11.663 25.420 17.649 324 HG12 ILE 40 1HG1 ILE 40 9.645 26.188 16.420 325 HG13 ILE 40 2HG1 ILE 40 9.280 24.966 17.632 326 HG21 ILE 40 1HG2 ILE 40 10.557 26.828 20.059 327 HG22 ILE 40 2HG2 ILE 40 10.353 25.094 19.814 328 HG23 ILE 40 3HG2 ILE 40 11.972 25.781 19.945 329 HD11 ILE 40 3HD1 ILE 40 9.051 27.587 18.770 330 HD12 ILE 40 1HD1 ILE 40 8.076 27.460 17.306 331 HD13 ILE 40 2HD1 ILE 40 7.839 26.314 18.626 332 H LEU 41 H LEU 41 12.215 28.566 19.967 333 HA LEU 41 HA LEU 41 15.090 28.058 19.561 334 HG LEU 41 HG LEU 41 14.326 30.693 18.465 335 HB2 LEU 41 1HB LEU 41 13.647 30.378 20.789 336 HB3 LEU 41 2HB LEU 41 15.313 30.015 21.235 337 HD11 LEU 41 1HD1 LEU 41 15.750 32.719 18.820 338 HD12 LEU 41 2HD1 LEU 41 15.868 32.264 20.519 339 HD13 LEU 41 3HD1 LEU 41 14.297 32.652 19.818 340 HD21 LEU 41 3HD2 LEU 41 16.181 29.699 17.749 341 HD22 LEU 41 1HD2 LEU 41 16.729 29.400 19.398 342 HD23 LEU 41 2HD2 LEU 41 17.100 30.935 18.611 343 H SER 42 H SER 42 12.379 27.951 21.761 344 HA SER 42 HA SER 42 13.573 25.902 23.326 345 HG SER 42 HG SER 42 14.983 26.129 24.745 346 HB2 SER 42 1HB SER 42 14.355 28.448 24.096 347 HB3 SER 42 2HB SER 42 13.024 28.080 25.193 348 H ILE 43 H ILE 43 12.163 25.362 25.259 349 HA ILE 43 HA ILE 43 9.358 26.067 24.689 350 HB ILE 43 HB ILE 43 10.359 23.382 25.644 351 HG12 ILE 43 1HG1 ILE 43 9.231 24.153 22.945 352 HG13 ILE 43 2HG1 ILE 43 10.938 23.883 23.275 353 HG21 ILE 43 1HG2 ILE 43 7.617 24.429 24.986 354 HG22 ILE 43 2HG2 ILE 43 7.990 22.710 25.100 355 HG23 ILE 43 3HG2 ILE 43 8.186 23.750 26.511 356 HD11 ILE 43 3HD1 ILE 43 9.846 21.577 24.195 357 HD12 ILE 43 1HD1 ILE 43 8.775 21.966 22.849 358 HD13 ILE 43 2HD1 ILE 43 10.511 21.807 22.578 359 H ASN 44 H ASN 44 7.989 26.366 26.425 360 HA ASN 44 HA ASN 44 9.098 26.075 29.119 361 HB2 ASN 44 1HB ASN 44 9.593 28.364 28.628 362 HB3 ASN 44 2HB ASN 44 7.989 28.630 27.950 363 HD21 ASN 44 2HD2 ASN 44 7.264 30.190 29.274 364 HD22 ASN 44 1HD2 ASN 44 7.055 30.007 30.979 365 H THR 45 H THR 45 7.688 24.479 29.688 366 HA THR 45 HA THR 45 4.817 24.962 29.344 367 HB THR 45 HB THR 45 4.584 22.575 30.113 368 HG1 THR 45 HG1 THR 45 6.616 21.359 29.926 369 HG21 THR 45 3HG2 THR 45 6.287 22.116 27.850 370 HG22 THR 45 1HG2 THR 45 5.373 23.605 27.615 371 HG23 THR 45 2HG2 THR 45 4.526 22.093 27.939 372 H ARG 46 H ARG 46 5.607 26.684 31.137 373 HA ARG 46 HA ARG 46 5.347 25.490 33.798 374 HE ARG 46 HE ARG 46 5.992 31.172 32.114 375 HB2 ARG 46 1HB ARG 46 6.242 27.475 34.682 376 HB3 ARG 46 2HB ARG 46 7.158 27.198 33.207 377 HG2 ARG 46 1HG ARG 46 5.741 28.823 32.036 378 HG3 ARG 46 2HG ARG 46 4.863 29.118 33.538 379 HD2 ARG 46 1HD ARG 46 6.730 30.101 34.564 380 HD3 ARG 46 2HD ARG 46 7.840 29.448 33.360 381 HH11 ARG 46 1HH1 ARG 46 8.745 31.232 34.244 382 HH12 ARG 46 2HH1 ARG 46 9.248 32.818 33.761 383 HH21 ARG 46 1HH2 ARG 46 6.645 33.261 31.469 384 HH22 ARG 46 2HH2 ARG 46 8.053 33.971 32.183 385 H LYS 47 H LYS 47 3.463 26.937 31.425 386 HA LYS 47 HA LYS 47 1.370 27.563 33.401 387 HB2 LYS 47 1HB LYS 47 2.584 29.369 31.649 388 HB3 LYS 47 2HB LYS 47 1.041 28.989 30.896 389 HG2 LYS 47 1HG LYS 47 0.297 30.659 32.197 390 HG3 LYS 47 2HG LYS 47 0.237 29.398 33.431 391 HD2 LYS 47 1HD LYS 47 2.528 30.044 34.131 392 HD3 LYS 47 2HD LYS 47 2.473 31.371 32.968 393 HE2 LYS 47 1HE LYS 47 0.470 31.006 35.188 394 HE3 LYS 47 2HE LYS 47 1.920 31.998 35.335 395 HZ1 LYS 47 3HZ LYS 47 0.153 33.427 34.742 396 HZ2 LYS 47 1HZ LYS 47 -0.370 32.407 33.498 397 HZ3 LYS 47 2HZ LYS 47 1.092 33.243 33.347 398 H ALA 48 H ALA 48 -0.810 27.851 31.963 399 HA ALA 48 HA ALA 48 -0.992 25.625 30.067 400 HB1 ALA 48 1HB ALA 48 -2.334 25.803 32.704 401 HB2 ALA 48 2HB ALA 48 -3.276 25.174 31.351 402 HB3 ALA 48 3HB ALA 48 -1.765 24.392 31.812 403 HA PRO 49 HA PRO 49 -1.561 25.207 28.292 404 HB2 PRO 49 1HB PRO 49 -1.061 26.307 25.860 405 HB3 PRO 49 2HB PRO 49 -2.602 25.545 26.271 406 HG2 PRO 49 1HG PRO 49 -1.876 28.448 26.233 407 HG3 PRO 49 2HG PRO 49 -3.348 27.656 25.644 408 HD2 PRO 49 1HD PRO 49 -3.238 28.938 28.027 409 HD3 PRO 49 2HD PRO 49 -4.270 27.519 27.753 410 HA PRO 50 HA PRO 50 2.630 26.431 28.806 411 HB2 PRO 50 1HB PRO 50 3.919 24.960 26.923 412 HB3 PRO 50 2HB PRO 50 3.227 24.252 28.388 413 HG2 PRO 50 1HG PRO 50 2.104 24.340 25.614 414 HG3 PRO 50 2HG PRO 50 2.124 22.996 26.771 415 HD2 PRO 50 1HD PRO 50 -0.065 24.538 26.367 416 HD3 PRO 50 2HD PRO 50 0.315 23.812 27.942 417 H LYS 51 H LYS 51 4.460 27.519 27.834 418 HA LYS 51 HA LYS 51 3.689 29.085 25.462 419 HB2 LYS 51 1HB LYS 51 5.369 29.757 27.866 420 HB3 LYS 51 2HB LYS 51 5.492 30.688 26.379 421 HG2 LYS 51 1HG LYS 51 3.118 31.235 26.518 422 HG3 LYS 51 2HG LYS 51 2.987 30.292 28.005 423 HD2 LYS 51 1HD LYS 51 4.383 31.796 29.188 424 HD3 LYS 51 2HD LYS 51 4.894 32.602 27.703 425 HE2 LYS 51 1HE LYS 51 3.343 34.107 28.429 426 HE3 LYS 51 2HE LYS 51 2.295 33.049 27.486 427 HZ1 LYS 51 3HZ LYS 51 2.702 32.404 30.309 428 HZ2 LYS 51 1HZ LYS 51 1.331 32.193 29.340 429 HZ3 LYS 51 2HZ LYS 51 1.713 33.727 29.942 430 H PHE 52 H PHE 52 5.444 29.755 24.025 431 HA PHE 52 HA PHE 52 7.805 28.025 24.077 432 HD1 PHE 52 HD1 PHE 52 4.071 27.584 23.001 433 HD2 PHE 52 HD2 PHE 52 7.562 25.209 22.468 434 HE1 PHE 52 HE1 PHE 52 2.806 25.582 23.668 435 HE2 PHE 52 HE2 PHE 52 6.303 23.203 23.134 436 HZ PHE 52 HZ PHE 52 3.922 23.387 23.734 437 HB2 PHE 52 1HB PHE 52 6.034 28.351 21.646 438 HB3 PHE 52 2HB PHE 52 7.535 27.434 21.720 439 H TYR 53 H TYR 53 9.598 28.829 22.927 440 HA TYR 53 HA TYR 53 9.471 31.720 22.466 441 HD1 TYR 53 HD2 TYR 53 10.216 33.212 23.682 442 HD2 TYR 53 HD1 TYR 53 13.901 31.496 22.424 443 HE1 TYR 53 HE2 TYR 53 11.263 35.437 23.731 444 HE2 TYR 53 HE1 TYR 53 14.958 33.716 22.470 445 HH TYR 53 HH TYR 53 14.713 35.857 23.221 446 HB2 TYR 53 1HB TYR 53 11.177 30.518 24.040 447 HB3 TYR 53 2HB TYR 53 12.025 30.148 22.542 448 H VAL 54 H VAL 54 9.360 32.445 20.457 449 HA VAL 54 HA VAL 54 10.458 30.774 18.290 450 HB VAL 54 HB VAL 54 8.822 31.998 16.804 451 HG11 VAL 54 1HG1 VAL 54 7.085 30.468 17.215 452 HG12 VAL 54 2HG1 VAL 54 8.548 29.665 17.789 453 HG13 VAL 54 3HG1 VAL 54 7.436 30.405 18.942 454 HG21 VAL 54 3HG2 VAL 54 8.304 33.887 18.194 455 HG22 VAL 54 1HG2 VAL 54 6.830 32.949 17.954 456 HG23 VAL 54 2HG2 VAL 54 7.709 32.836 19.479 457 H HIS 55 H HIS 55 11.421 31.865 16.497 458 HA HIS 55 HA HIS 55 12.197 34.654 16.994 459 HD1 HIS 55 HD1 HIS 55 13.989 36.042 15.881 460 HD2 HIS 55 HD2 HIS 55 16.345 32.698 15.155 461 HE1 HIS 55 HE1 HIS 55 15.839 36.837 14.375 462 HB2 HIS 55 1HB HIS 55 14.134 33.561 17.724 463 HB3 HIS 55 2HB HIS 55 14.002 32.304 16.498 464 H TYR 56 H TYR 56 11.915 35.917 15.277 465 HA TYR 56 HA TYR 56 10.982 34.808 12.806 466 HD1 TYR 56 HD1 TYR 56 10.738 37.641 15.722 467 HD2 TYR 56 HD2 TYR 56 8.432 36.477 12.341 468 HE1 TYR 56 HE1 TYR 56 8.685 37.838 17.062 469 HE2 TYR 56 HE2 TYR 56 6.372 36.672 13.671 470 HH TYR 56 HH TYR 56 6.462 37.246 17.123 471 HB2 TYR 56 1HB TYR 56 11.687 37.675 13.464 472 HB3 TYR 56 2HB TYR 56 10.741 37.126 12.085 473 H VAL 57 H VAL 57 12.398 33.835 11.500 474 HA VAL 57 HA VAL 57 15.150 34.353 11.366 475 HB VAL 57 HB VAL 57 13.414 33.141 9.210 476 HG11 VAL 57 1HG1 VAL 57 15.560 31.950 8.642 477 HG12 VAL 57 2HG1 VAL 57 15.534 33.678 8.287 478 HG13 VAL 57 3HG1 VAL 57 16.381 33.082 9.716 479 HG21 VAL 57 3HG2 VAL 57 14.928 31.737 11.407 480 HG22 VAL 57 1HG2 VAL 57 13.194 32.057 11.441 481 HG23 VAL 57 2HG2 VAL 57 13.873 31.003 10.200 482 H ASN 58 H ASN 58 12.439 35.827 9.754 483 HA ASN 58 HA ASN 58 13.908 37.073 7.661 484 HB2 ASN 58 1HB ASN 58 11.319 36.662 7.956 485 HB3 ASN 58 2HB ASN 58 11.368 38.251 8.714 486 HD21 ASN 58 2HD2 ASN 58 12.925 36.757 5.894 487 HD22 ASN 58 1HD2 ASN 58 12.487 38.004 4.781 488 H TYR 59 H TYR 59 13.379 37.802 10.991 489 HA TYR 59 HA TYR 59 14.628 40.445 10.614 490 HD1 TYR 59 HD2 TYR 59 11.077 38.884 11.127 491 HD2 TYR 59 HD1 TYR 59 12.631 42.835 11.400 492 HE1 TYR 59 HE2 TYR 59 9.172 39.718 9.814 493 HE2 TYR 59 HE1 TYR 59 10.729 43.680 10.089 494 HH TYR 59 HH TYR 59 8.969 43.100 8.812 495 HB2 TYR 59 1HB TYR 59 12.789 39.525 12.834 496 HB3 TYR 59 2HB TYR 59 13.554 41.108 12.738 497 H ASN 60 H ASN 60 15.473 41.061 13.069 498 HA ASN 60 HA ASN 60 17.729 39.306 13.415 499 HB2 ASN 60 1HB ASN 60 16.895 41.859 14.800 500 HB3 ASN 60 2HB ASN 60 18.369 40.980 15.195 501 HD21 ASN 60 2HD2 ASN 60 16.914 43.245 13.154 502 HD22 ASN 60 1HD2 ASN 60 18.226 43.457 12.050 503 H LYS 61 H LYS 61 18.409 38.856 15.785 504 HA LYS 61 HA LYS 61 16.486 37.084 16.890 505 HB2 LYS 61 1HB LYS 61 18.990 36.812 16.995 506 HB3 LYS 61 2HB LYS 61 19.011 38.080 18.215 507 HG2 LYS 61 1HG LYS 61 17.104 35.994 18.852 508 HG3 LYS 61 2HG LYS 61 18.743 35.367 18.657 509 HD2 LYS 61 1HD LYS 61 19.288 37.524 20.140 510 HD3 LYS 61 2HD LYS 61 17.640 37.218 20.691 511 HE2 LYS 61 1HE LYS 61 18.221 34.974 21.337 512 HE3 LYS 61 2HE LYS 61 19.830 35.147 20.638 513 HZ1 LYS 61 3HZ LYS 61 19.606 35.423 23.138 514 HZ2 LYS 61 1HZ LYS 61 18.887 36.918 22.808 515 HZ3 LYS 61 2HZ LYS 61 20.476 36.616 22.312 516 H ARG 62 H ARG 62 16.888 40.405 17.180 517 HA ARG 62 HA ARG 62 15.993 40.662 19.907 518 HE ARG 62 HE ARG 62 16.366 45.463 17.956 519 HB2 ARG 62 1HB ARG 62 15.970 43.057 19.466 520 HB3 ARG 62 2HB ARG 62 17.470 42.345 18.886 521 HG2 ARG 62 1HG ARG 62 16.047 42.203 16.634 522 HG3 ARG 62 2HG ARG 62 15.251 43.588 17.384 523 HD2 ARG 62 1HD ARG 62 18.232 43.475 17.294 524 HD3 ARG 62 2HD ARG 62 17.338 43.927 15.842 525 HH11 ARG 62 1HH1 ARG 62 19.310 45.051 16.144 526 HH12 ARG 62 2HH1 ARG 62 19.830 46.689 16.365 527 HH21 ARG 62 1HH2 ARG 62 17.039 47.622 18.254 528 HH22 ARG 62 2HH2 ARG 62 18.538 48.150 17.567 529 H LEU 63 H LEU 63 14.456 39.701 17.196 530 HA LEU 63 HA LEU 63 11.950 41.108 17.767 531 HG LEU 63 HG LEU 63 11.821 41.351 14.119 532 HB2 LEU 63 1HB LEU 63 13.096 39.725 15.427 533 HB3 LEU 63 2HB LEU 63 11.359 39.539 15.657 534 HD11 LEU 63 1HD1 LEU 63 11.032 42.935 16.463 535 HD12 LEU 63 2HD1 LEU 63 10.110 41.453 16.212 536 HD13 LEU 63 3HD1 LEU 63 10.194 42.666 14.934 537 HD21 LEU 63 3HD2 LEU 63 13.405 42.556 16.386 538 HD22 LEU 63 1HD2 LEU 63 13.002 43.370 14.874 539 HD23 LEU 63 2HD2 LEU 63 14.051 41.952 14.860 540 H ASP 64 H ASP 64 13.507 38.061 18.140 541 HA ASP 64 HA ASP 64 11.409 36.270 18.241 542 HB2 ASP 64 1HB ASP 64 12.796 34.923 19.731 543 HB3 ASP 64 2HB ASP 64 13.782 35.633 18.456 544 H GLU 65 H GLU 65 10.359 35.294 20.145 545 HA GLU 65 HA GLU 65 10.171 36.676 22.609 546 HB2 GLU 65 1HB GLU 65 7.840 37.491 22.380 547 HB3 GLU 65 2HB GLU 65 8.973 38.349 21.345 548 HG2 GLU 65 1HG GLU 65 8.253 36.791 19.489 549 HG3 GLU 65 2HG GLU 65 6.947 36.282 20.557 550 H TRP 66 H TRP 66 7.971 35.936 23.739 551 HA TRP 66 HA TRP 66 7.882 33.031 23.357 552 HD1 TRP 66 HD1 TRP 66 9.452 35.861 25.832 553 HE1 TRP 66 HE1 TRP 66 11.671 34.940 26.755 554 HE3 TRP 66 HE3 TRP 66 8.297 30.881 25.904 555 HZ2 TRP 66 HZ2 TRP 66 12.785 32.434 27.423 556 HZ3 TRP 66 HZ3 TRP 66 9.995 29.288 26.698 557 HH2 TRP 66 HH2 TRP 66 12.192 30.050 27.441 558 HB2 TRP 66 1HB TRP 66 6.985 34.724 25.700 559 HB3 TRP 66 2HB TRP 66 6.928 32.965 25.634 560 H ILE 67 H ILE 67 6.323 32.464 21.970 561 HA ILE 67 HA ILE 67 3.740 33.846 22.079 562 HB ILE 67 HB ILE 67 3.241 32.718 19.951 563 HG12 ILE 67 1HG1 ILE 67 6.098 31.751 19.953 564 HG13 ILE 67 2HG1 ILE 67 4.765 30.737 20.496 565 HG21 ILE 67 1HG2 ILE 67 5.151 33.832 18.625 566 HG22 ILE 67 2HG2 ILE 67 4.123 34.844 19.638 567 HG23 ILE 67 3HG2 ILE 67 5.725 34.370 20.204 568 HD11 ILE 67 3HD1 ILE 67 5.291 30.218 18.217 569 HD12 ILE 67 1HD1 ILE 67 3.714 31.005 18.280 570 HD13 ILE 67 2HD1 ILE 67 5.133 31.912 17.753 571 H THR 68 H THR 68 1.767 32.567 21.959 572 HA THR 68 HA THR 68 2.014 30.094 23.528 573 HB THR 68 HB THR 68 -0.592 30.575 23.733 574 HG1 THR 68 HG1 THR 68 0.442 33.214 23.563 575 HG21 THR 68 3HG2 THR 68 -0.090 31.904 25.794 576 HG22 THR 68 1HG2 THR 68 1.594 31.967 25.279 577 HG23 THR 68 2HG2 THR 68 0.843 30.415 25.648 578 H THR 69 H THR 69 -0.016 28.617 23.132 579 HA THR 69 HA THR 69 0.261 27.429 20.640 580 HB THR 69 HB THR 69 -1.632 26.063 21.168 581 HG1 THR 69 HG1 THR 69 -3.306 26.919 22.122 582 HG21 THR 69 3HG2 THR 69 -0.992 25.180 23.251 583 HG22 THR 69 1HG2 THR 69 -0.485 26.755 23.860 584 HG23 THR 69 2HG2 THR 69 0.471 25.939 22.623 585 H ASP 70 H ASP 70 -2.192 29.729 21.763 586 HA ASP 70 HA ASP 70 -3.734 29.712 19.394 587 HB2 ASP 70 1HB ASP 70 -3.523 32.073 21.249 588 HB3 ASP 70 2HB ASP 70 -4.915 31.535 20.313 589 H ARG 71 H ARG 71 -0.673 30.972 20.060 590 HA ARG 71 HA ARG 71 -0.858 32.998 17.951 591 HE ARG 71 HE ARG 71 -0.656 36.425 21.153 592 HB2 ARG 71 1HB ARG 71 1.247 32.426 20.037 593 HB3 ARG 71 2HB ARG 71 1.474 33.591 18.739 594 HG2 ARG 71 1HG ARG 71 -0.759 34.597 19.637 595 HG3 ARG 71 2HG ARG 71 -0.330 33.719 21.107 596 HD2 ARG 71 1HD ARG 71 1.673 34.928 21.368 597 HD3 ARG 71 2HD ARG 71 1.604 35.551 19.720 598 HH11 ARG 71 1HH1 ARG 71 2.783 36.929 20.958 599 HH12 ARG 71 2HH1 ARG 71 2.707 38.565 21.522 600 HH21 ARG 71 1HH2 ARG 71 -0.770 38.578 21.898 601 HH22 ARG 71 2HH2 ARG 71 0.686 39.502 22.058 602 H ILE 72 H ILE 72 -0.453 29.841 17.969 603 HA ILE 72 HA ILE 72 1.793 29.822 16.067 604 HB ILE 72 HB ILE 72 0.568 27.518 17.588 605 HG12 ILE 72 1HG1 ILE 72 3.374 28.551 17.887 606 HG13 ILE 72 2HG1 ILE 72 2.050 29.286 18.786 607 HG21 ILE 72 1HG2 ILE 72 2.941 27.583 15.729 608 HG22 ILE 72 2HG2 ILE 72 2.419 26.195 16.683 609 HG23 ILE 72 3HG2 ILE 72 1.383 26.824 15.402 610 HD11 ILE 72 3HD1 ILE 72 2.495 27.759 20.338 611 HD12 ILE 72 1HD1 ILE 72 1.687 26.616 19.265 612 HD13 ILE 72 2HD1 ILE 72 3.444 26.774 19.224 613 H ASN 73 H ASN 73 1.559 28.944 14.036 614 HA ASN 73 HA ASN 73 -1.209 28.610 13.135 615 HB2 ASN 73 1HB ASN 73 0.497 30.251 12.063 616 HB3 ASN 73 2HB ASN 73 1.165 28.809 11.304 617 HD21 ASN 73 2HD2 ASN 73 0.168 30.829 9.779 618 HD22 ASN 73 1HD2 ASN 73 -1.295 30.322 9.013 619 H LEU 74 H LEU 74 -1.854 26.551 13.273 620 HA LEU 74 HA LEU 74 0.017 24.395 12.658 621 HG LEU 74 HG LEU 74 -1.658 23.232 15.749 622 HB2 LEU 74 1HB LEU 74 -2.616 24.583 14.036 623 HB3 LEU 74 2HB LEU 74 -2.146 23.044 13.317 624 HD11 LEU 74 1HD1 LEU 74 0.969 22.785 15.232 625 HD12 LEU 74 2HD1 LEU 74 0.256 22.538 13.638 626 HD13 LEU 74 3HD1 LEU 74 -0.314 21.594 15.014 627 HD21 LEU 74 3HD2 LEU 74 0.672 24.970 15.162 628 HD22 LEU 74 1HD2 LEU 74 -0.266 24.790 16.645 629 HD23 LEU 74 2HD2 LEU 74 -0.908 25.742 15.306 630 H ASP 75 H ASP 75 -1.288 26.257 10.657 631 HA ASP 75 HA ASP 75 -2.809 24.317 9.070 632 HB2 ASP 75 1HB ASP 75 -3.883 26.473 9.321 633 HB3 ASP 75 2HB ASP 75 -2.436 27.301 8.750 634 H LYS 76 H LYS 76 0.238 25.914 9.245 635 HA LYS 76 HA LYS 76 0.921 25.133 6.504 636 HB2 LYS 76 1HB LYS 76 1.854 27.198 8.373 637 HB3 LYS 76 2HB LYS 76 3.147 26.383 7.502 638 HG2 LYS 76 1HG LYS 76 2.597 27.323 5.536 639 HG3 LYS 76 2HG LYS 76 0.864 27.238 5.858 640 HD2 LYS 76 1HD LYS 76 1.259 29.113 7.545 641 HD3 LYS 76 2HD LYS 76 2.842 29.303 6.787 642 HE2 LYS 76 1HE LYS 76 1.506 30.843 5.661 643 HE3 LYS 76 2HE LYS 76 1.536 29.452 4.578 644 HZ1 LYS 76 3HZ LYS 76 -0.670 30.548 6.133 645 HZ2 LYS 76 1HZ LYS 76 -0.604 28.863 6.005 646 HZ3 LYS 76 2HZ LYS 76 -0.679 29.815 4.609 647 H GLU 77 H GLU 77 2.680 23.799 6.040 648 HA GLU 77 HA GLU 77 3.078 21.587 7.651 649 HB2 GLU 77 1HB GLU 77 5.099 22.650 5.675 650 HB3 GLU 77 2HB GLU 77 4.884 20.981 6.185 651 HG2 GLU 77 1HG GLU 77 2.613 21.038 5.159 652 HG3 GLU 77 2HG GLU 77 3.008 22.630 4.512 653 H VAL 78 H VAL 78 5.007 20.844 8.768 654 HA VAL 78 HA VAL 78 6.390 23.053 10.143 655 HB VAL 78 HB VAL 78 5.751 20.282 11.161 656 HG11 VAL 78 1HG1 VAL 78 6.666 21.182 13.322 657 HG12 VAL 78 2HG1 VAL 78 7.867 20.895 12.061 658 HG13 VAL 78 3HG1 VAL 78 7.316 22.537 12.399 659 HG21 VAL 78 3HG2 VAL 78 4.553 21.811 12.917 660 HG22 VAL 78 1HG2 VAL 78 4.570 22.985 11.600 661 HG23 VAL 78 2HG2 VAL 78 3.769 21.429 11.384 662 H LEU 79 H LEU 79 8.590 23.004 10.370 663 HA LEU 79 HA LEU 79 9.993 21.030 8.719 664 HG LEU 79 HG LEU 79 11.567 23.983 7.278 665 HB2 LEU 79 1HB LEU 79 10.349 23.849 9.315 666 HB3 LEU 79 2HB LEU 79 11.838 22.930 9.523 667 HD11 LEU 79 1HD1 LEU 79 11.592 20.997 7.016 668 HD12 LEU 79 2HD1 LEU 79 12.899 21.861 7.825 669 HD13 LEU 79 3HD1 LEU 79 12.533 22.198 6.133 670 HD21 LEU 79 3HD2 LEU 79 8.999 23.166 7.399 671 HD22 LEU 79 1HD2 LEU 79 9.698 21.874 6.423 672 HD23 LEU 79 2HD2 LEU 79 9.841 23.551 5.896 673 H TYR 80 H TYR 80 11.155 19.467 9.620 674 HA TYR 80 HA TYR 80 11.892 19.736 12.460 675 HD1 TYR 80 HD2 TYR 80 8.695 18.201 11.104 676 HD2 TYR 80 HD1 TYR 80 11.192 17.538 14.485 677 HE1 TYR 80 HE2 TYR 80 6.726 18.310 12.573 678 HE2 TYR 80 HE1 TYR 80 9.230 17.644 15.963 679 HH TYR 80 HH TYR 80 6.284 17.210 15.142 680 HB2 TYR 80 1HB TYR 80 10.973 17.393 10.836 681 HB3 TYR 80 2HB TYR 80 12.007 17.124 12.235 682 HA PRO 81 HA PRO 81 16.152 19.296 11.510 683 HB2 PRO 81 1HB PRO 81 17.040 17.748 13.556 684 HB3 PRO 81 2HB PRO 81 16.567 19.438 13.765 685 HG2 PRO 81 1HG PRO 81 15.007 16.949 14.342 686 HG3 PRO 81 2HG PRO 81 15.154 18.427 15.311 687 HD2 PRO 81 1HD PRO 81 13.005 17.919 13.744 688 HD3 PRO 81 2HD PRO 81 13.603 19.564 14.040 689 H LYS 82 H LYS 82 17.748 17.890 10.694 690 HA LYS 82 HA LYS 82 16.756 15.201 10.010 691 HB2 LYS 82 1HB LYS 82 16.996 16.667 8.061 692 HB3 LYS 82 2HB LYS 82 18.676 16.969 8.483 693 HG2 LYS 82 1HG LYS 82 18.858 15.377 6.830 694 HG3 LYS 82 2HG LYS 82 18.929 14.399 8.298 695 HD2 LYS 82 1HD LYS 82 16.431 14.080 8.045 696 HD3 LYS 82 2HD LYS 82 16.593 14.794 6.439 697 HE2 LYS 82 1HE LYS 82 18.402 13.015 6.053 698 HE3 LYS 82 2HE LYS 82 17.740 12.223 7.482 699 HZ1 LYS 82 3HZ LYS 82 16.667 12.395 4.813 700 HZ2 LYS 82 1HZ LYS 82 15.533 12.730 6.023 701 HZ3 LYS 82 2HZ LYS 82 16.366 11.258 6.029 702 H LEU 83 H LEU 83 17.762 13.616 11.040 703 HA LEU 83 HA LEU 83 20.623 13.933 11.664 704 HG LEU 83 HG LEU 83 19.606 14.041 15.199 705 HB2 LEU 83 1HB LEU 83 18.361 13.027 13.367 706 HB3 LEU 83 2HB LEU 83 19.928 12.251 13.586 707 HD11 LEU 83 1HD1 LEU 83 21.843 13.553 13.865 708 HD12 LEU 83 2HD1 LEU 83 21.729 14.840 15.064 709 HD13 LEU 83 3HD1 LEU 83 21.599 15.222 13.348 710 HD21 LEU 83 3HD2 LEU 83 18.269 15.344 13.212 711 HD22 LEU 83 1HD2 LEU 83 19.799 16.220 13.254 712 HD23 LEU 83 2HD2 LEU 83 18.822 16.083 14.716 713 H LYS 84 H LYS 84 21.791 11.875 11.910 714 HA LYS 84 HA LYS 84 20.747 9.870 10.028 715 HB2 LYS 84 1HB LYS 84 22.858 10.950 9.368 716 HB3 LYS 84 2HB LYS 84 23.600 10.418 10.871 717 HG2 LYS 84 1HG LYS 84 24.353 8.855 9.351 718 HG3 LYS 84 2HG LYS 84 22.961 8.045 10.073 719 HD2 LYS 84 1HD LYS 84 22.571 7.675 7.837 720 HD3 LYS 84 2HD LYS 84 21.666 9.169 8.090 721 HE2 LYS 84 1HE LYS 84 23.449 10.476 7.166 722 HE3 LYS 84 2HE LYS 84 24.510 9.069 7.096 723 HZ1 LYS 84 3HZ LYS 84 22.163 8.482 5.686 724 HZ2 LYS 84 1HZ LYS 84 23.738 8.628 5.086 725 HZ3 LYS 84 2HZ LYS 84 22.728 9.983 5.148 726 H ALA 85 H ALA 85 20.595 7.748 10.591 727 HA ALA 85 HA ALA 85 20.542 7.126 13.388 728 HB1 ALA 85 1HB ALA 85 19.980 4.801 12.509 729 HB2 ALA 85 2HB ALA 85 18.857 6.104 12.114 730 HB3 ALA 85 3HB ALA 85 20.002 5.529 10.902 731 H THR 86 H THR 86 22.129 6.324 14.592 732 HA THR 86 HA THR 86 24.403 5.026 13.237 733 HB THR 86 HB THR 86 24.659 6.572 15.811 734 HG1 THR 86 HG1 THR 86 25.569 8.229 14.360 735 HG21 THR 86 3HG2 THR 86 26.546 5.373 13.816 736 HG22 THR 86 1HG2 THR 86 26.530 5.209 15.571 737 HG23 THR 86 2HG2 THR 86 27.058 6.721 14.831 738 H ASP 87 H ASP 87 25.544 3.420 14.482 739 HA ASP 87 HA ASP 87 24.055 2.317 16.757 740 HB2 ASP 87 1HB ASP 87 24.275 0.044 15.844 741 HB3 ASP 87 2HB ASP 87 23.319 1.074 14.783 742 H GLU 88 H GLU 88 25.293 1.380 18.327 743 HA GLU 88 HA GLU 88 28.194 1.250 17.838 744 HB2 GLU 88 1HB GLU 88 27.409 3.248 19.218 745 HB3 GLU 88 2HB GLU 88 26.979 2.087 20.466 746 HG2 GLU 88 1HG GLU 88 29.739 2.178 19.311 747 HG3 GLU 88 2HG GLU 88 29.250 3.256 20.617 748 H ASP 89 H ASP 89 28.321 -0.946 17.622 749 HA ASP 89 HA ASP 89 27.647 -2.510 20.023 750 HB2 ASP 89 1HB ASP 89 26.955 -3.033 17.174 751 HB3 ASP 89 2HB ASP 89 27.401 -4.416 18.170 Start of MODEL 16 1 H1 GLY -2 H GLY -2 28.858 6.678 21.978 2 HA2 GLY -2 1HA GLY -2 29.709 4.514 21.963 3 HA3 GLY -2 2HA GLY -2 28.131 4.207 21.253 4 H SER -1 H SER -1 28.958 5.860 18.863 5 HA SER -1 HA SER -1 31.138 4.491 17.634 6 HG SER -1 HG SER -1 29.536 1.560 16.928 7 HB2 SER -1 1HB SER -1 28.338 3.556 17.115 8 HB3 SER -1 2HB SER -1 29.518 3.523 15.804 9 H HIS 0 H HIS 0 31.989 5.975 16.352 10 HA HIS 0 HA HIS 0 30.418 8.215 15.431 11 HD1 HIS 0 HD1 HIS 0 31.841 10.547 16.653 12 HD2 HIS 0 HD2 HIS 0 33.122 9.811 12.770 13 HE1 HIS 0 HE1 HIS 0 31.921 12.797 15.534 14 HB2 HIS 0 1HB HIS 0 32.909 8.171 16.254 15 HB3 HIS 0 2HB HIS 0 33.251 7.734 14.583 16 H MET 1 H MET 1 29.042 7.678 13.817 17 HA MET 1 HA MET 1 30.072 6.147 11.540 18 HB2 MET 1 1HB MET 1 27.221 6.983 12.083 19 HB3 MET 1 2HB MET 1 27.774 5.807 10.899 20 HG2 MET 1 1HG MET 1 28.533 4.346 12.703 21 HG3 MET 1 2HG MET 1 27.975 5.525 13.888 22 HE1 MET 1 3HE MET 1 24.396 5.025 14.328 23 HE2 MET 1 1HE MET 1 25.756 4.337 15.217 24 HE3 MET 1 2HE MET 1 25.854 5.983 14.591 25 H SER 2 H SER 2 29.073 6.883 9.366 26 HA SER 2 HA SER 2 29.299 9.815 9.172 27 HG SER 2 HG SER 2 31.104 10.506 7.443 28 HB2 SER 2 1HB SER 2 31.277 8.497 8.272 29 HB3 SER 2 2HB SER 2 30.188 7.877 7.032 30 H HIS 3 H HIS 3 27.937 10.874 7.754 31 HA HIS 3 HA HIS 3 25.528 9.421 7.047 32 HD1 HIS 3 HD1 HIS 3 23.237 11.421 8.659 33 HD2 HIS 3 HD2 HIS 3 27.223 12.327 9.400 34 HE1 HIS 3 HE1 HIS 3 23.368 11.912 11.122 35 HB2 HIS 3 1HB HIS 3 26.169 12.356 6.691 36 HB3 HIS 3 2HB HIS 3 24.580 11.610 6.557 37 H ASP 4 H ASP 4 24.933 8.820 5.053 38 HA ASP 4 HA ASP 4 26.482 9.832 2.766 39 HB2 ASP 4 1HB ASP 4 25.701 6.955 3.281 40 HB3 ASP 4 2HB ASP 4 26.404 7.550 1.780 41 H GLY 5 H GLY 5 25.344 9.109 0.639 42 HA2 GLY 5 1HA GLY 5 23.026 8.456 -0.143 43 HA3 GLY 5 2HA GLY 5 22.467 9.681 0.986 44 H LYS 6 H LYS 6 21.785 9.756 -1.696 45 HA LYS 6 HA LYS 6 23.463 11.910 -2.791 46 HB2 LYS 6 1HB LYS 6 21.562 9.964 -4.087 47 HB3 LYS 6 2HB LYS 6 22.126 11.406 -4.920 48 HG2 LYS 6 1HG LYS 6 24.155 9.608 -3.711 49 HG3 LYS 6 2HG LYS 6 23.339 9.083 -5.185 50 HD2 LYS 6 1HD LYS 6 23.946 11.390 -6.118 51 HD3 LYS 6 2HD LYS 6 25.056 11.510 -4.751 52 HE2 LYS 6 1HE LYS 6 26.344 10.674 -6.534 53 HE3 LYS 6 2HE LYS 6 25.998 9.280 -5.511 54 HZ1 LYS 6 3HZ LYS 6 25.635 8.619 -7.735 55 HZ2 LYS 6 1HZ LYS 6 24.714 9.994 -8.085 56 HZ3 LYS 6 2HZ LYS 6 24.101 8.807 -7.049 57 H GLU 7 H GLU 7 21.403 12.173 -0.674 58 HA GLU 7 HA GLU 7 19.851 14.291 -1.971 59 HB2 GLU 7 1HB GLU 7 18.775 11.915 -0.543 60 HB3 GLU 7 2HB GLU 7 17.985 13.457 -0.247 61 HG2 GLU 7 1HG GLU 7 16.751 12.668 -1.997 62 HG3 GLU 7 2HG GLU 7 17.966 13.617 -2.852 63 H GLU 8 H GLU 8 18.887 15.806 -0.381 64 HA GLU 8 HA GLU 8 20.731 16.167 1.871 65 HB2 GLU 8 1HB GLU 8 19.169 18.006 0.136 66 HB3 GLU 8 2HB GLU 8 19.412 18.497 1.807 67 HG2 GLU 8 1HG GLU 8 21.775 18.463 1.559 68 HG3 GLU 8 2HG GLU 8 21.657 17.691 -0.022 69 HA PRO 9 HA PRO 9 17.695 15.478 4.960 70 HB2 PRO 9 1HB PRO 9 18.266 17.404 6.786 71 HB3 PRO 9 2HB PRO 9 19.300 15.995 6.520 72 HG2 PRO 9 1HG PRO 9 19.598 18.786 5.480 73 HG3 PRO 9 2HG PRO 9 20.834 17.701 6.142 74 HD2 PRO 9 1HD PRO 9 20.499 18.076 3.482 75 HD3 PRO 9 2HD PRO 9 21.046 16.532 4.167 76 H GLY 10 H GLY 10 16.237 16.974 6.568 77 HA2 GLY 10 1HA GLY 10 14.853 18.961 6.643 78 HA3 GLY 10 2HA GLY 10 14.928 19.016 4.888 79 H ILE 11 H ILE 11 13.256 17.822 7.623 80 HA ILE 11 HA ILE 11 11.528 16.158 5.920 81 HB ILE 11 HB ILE 11 11.764 16.195 8.931 82 HG12 ILE 11 1HG1 ILE 11 12.406 13.736 7.465 83 HG13 ILE 11 2HG1 ILE 11 13.497 15.072 7.114 84 HG21 ILE 11 1HG2 ILE 11 9.899 14.858 7.053 85 HG22 ILE 11 2HG2 ILE 11 10.460 13.935 8.446 86 HG23 ILE 11 3HG2 ILE 11 9.621 15.468 8.684 87 HD11 ILE 11 3HD1 ILE 11 13.660 13.328 9.240 88 HD12 ILE 11 1HD1 ILE 11 14.519 14.859 9.070 89 HD13 ILE 11 2HD1 ILE 11 12.992 14.798 9.950 90 H ALA 12 H ALA 12 9.532 16.815 5.460 91 HA ALA 12 HA ALA 12 8.426 19.077 6.992 92 HB1 ALA 12 1HB ALA 12 8.104 18.352 4.088 93 HB2 ALA 12 2HB ALA 12 7.113 19.562 4.906 94 HB3 ALA 12 3HB ALA 12 8.856 19.795 4.769 95 H LYS 13 H LYS 13 6.801 18.524 8.273 96 HA LYS 13 HA LYS 13 4.804 16.614 7.298 97 HB2 LYS 13 1HB LYS 13 4.789 15.345 9.302 98 HB3 LYS 13 2HB LYS 13 6.476 15.476 8.822 99 HG2 LYS 13 1HG LYS 13 6.636 17.429 10.428 100 HG3 LYS 13 2HG LYS 13 5.057 16.925 11.035 101 HD2 LYS 13 1HD LYS 13 6.755 15.956 12.429 102 HD3 LYS 13 2HD LYS 13 6.018 14.669 11.472 103 HE2 LYS 13 1HE LYS 13 7.908 14.290 10.282 104 HE3 LYS 13 2HE LYS 13 8.387 15.986 10.298 105 HZ1 LYS 13 3HZ LYS 13 8.478 14.486 12.814 106 HZ2 LYS 13 1HZ LYS 13 9.452 15.764 12.286 107 HZ3 LYS 13 2HZ LYS 13 9.694 14.207 11.671 108 H LYS 14 H LYS 14 2.719 16.906 8.128 109 HA LYS 14 HA LYS 14 2.277 19.552 9.307 110 HB2 LYS 14 1HB LYS 14 0.623 17.707 7.631 111 HB3 LYS 14 2HB LYS 14 -0.184 18.884 8.658 112 HG2 LYS 14 1HG LYS 14 0.754 20.698 7.506 113 HG3 LYS 14 2HG LYS 14 1.961 19.680 6.718 114 HD2 LYS 14 1HD LYS 14 -0.928 19.117 6.242 115 HD3 LYS 14 2HD LYS 14 -0.184 20.495 5.427 116 HE2 LYS 14 1HE LYS 14 1.201 19.173 4.165 117 HE3 LYS 14 2HE LYS 14 1.223 17.873 5.356 118 HZ1 LYS 14 3HZ LYS 14 -0.103 17.633 3.135 119 HZ2 LYS 14 1HZ LYS 14 -1.298 18.475 3.987 120 HZ3 LYS 14 2HZ LYS 14 -0.720 17.000 4.577 121 H ILE 15 H ILE 15 2.150 19.552 11.454 122 HA ILE 15 HA ILE 15 0.900 17.264 12.808 123 HB ILE 15 HB ILE 15 1.937 18.135 14.869 124 HG12 ILE 15 1HG1 ILE 15 3.700 19.974 13.358 125 HG13 ILE 15 2HG1 ILE 15 2.050 20.528 13.620 126 HG21 ILE 15 1HG2 ILE 15 3.072 16.591 13.092 127 HG22 ILE 15 2HG2 ILE 15 4.143 17.973 12.870 128 HG23 ILE 15 3HG2 ILE 15 4.003 17.212 14.455 129 HD11 ILE 15 3HD1 ILE 15 3.581 19.462 15.932 130 HD12 ILE 15 1HD1 ILE 15 3.955 21.076 15.328 131 HD13 ILE 15 2HD1 ILE 15 2.323 20.697 15.880 132 H ASN 16 H ASN 16 -0.337 17.841 14.833 133 HA ASN 16 HA ASN 16 -1.837 20.349 14.516 134 HB2 ASN 16 1HB ASN 16 -3.055 18.324 13.561 135 HB3 ASN 16 2HB ASN 16 -3.167 17.731 15.216 136 HD21 ASN 16 2HD2 ASN 16 -4.060 20.351 13.061 137 HD22 ASN 16 1HD2 ASN 16 -5.436 20.875 13.966 138 H SER 17 H SER 17 0.288 19.192 16.373 139 HA SER 17 HA SER 17 -1.036 20.025 18.849 140 HG SER 17 HG SER 17 -1.051 17.284 17.506 141 HB2 SER 17 1HB SER 17 0.844 17.678 18.896 142 HB3 SER 17 2HB SER 17 -0.345 18.169 20.103 143 H VAL 18 H VAL 18 0.174 21.341 20.082 144 HA VAL 18 HA VAL 18 2.688 22.266 19.059 145 HB VAL 18 HB VAL 18 2.666 23.869 20.862 146 HG11 VAL 18 1HG1 VAL 18 0.581 25.003 20.405 147 HG12 VAL 18 2HG1 VAL 18 1.181 24.251 18.925 148 HG13 VAL 18 3HG1 VAL 18 -0.141 23.503 19.823 149 HG21 VAL 18 3HG2 VAL 18 0.238 23.357 22.200 150 HG22 VAL 18 1HG2 VAL 18 1.151 21.848 22.198 151 HG23 VAL 18 2HG2 VAL 18 1.873 23.315 22.861 152 H ASP 19 H ASP 19 1.737 19.836 21.239 153 HA ASP 19 HA ASP 19 3.884 19.837 23.053 154 HB2 ASP 19 1HB ASP 19 2.052 17.658 22.060 155 HB3 ASP 19 2HB ASP 19 3.313 17.345 23.250 156 H ASP 20 H ASP 20 3.506 18.400 19.856 157 HA ASP 20 HA ASP 20 6.082 17.096 19.967 158 HB2 ASP 20 1HB ASP 20 3.886 17.306 17.945 159 HB3 ASP 20 2HB ASP 20 5.489 16.800 17.419 160 H ILE 21 H ILE 21 6.730 19.557 20.529 161 HA ILE 21 HA ILE 21 7.854 20.634 18.028 162 HB ILE 21 HB ILE 21 6.816 22.227 20.374 163 HG12 ILE 21 1HG1 ILE 21 5.931 22.135 17.481 164 HG13 ILE 21 2HG1 ILE 21 5.079 21.391 18.830 165 HG21 ILE 21 1HG2 ILE 21 8.844 23.238 19.545 166 HG22 ILE 21 2HG2 ILE 21 8.256 23.134 17.886 167 HG23 ILE 21 3HG2 ILE 21 7.459 24.205 19.038 168 HD11 ILE 21 3HD1 ILE 21 4.737 23.605 19.816 169 HD12 ILE 21 1HD1 ILE 21 5.557 24.335 18.436 170 HD13 ILE 21 2HD1 ILE 21 4.033 23.476 18.205 171 H ILE 22 H ILE 22 9.961 21.330 18.090 172 HA ILE 22 HA ILE 22 11.387 21.074 20.650 173 HB ILE 22 HB ILE 22 13.316 20.090 19.407 174 HG12 ILE 22 1HG1 ILE 22 11.312 19.545 17.215 175 HG13 ILE 22 2HG1 ILE 22 12.454 20.883 17.151 176 HG21 ILE 22 1HG2 ILE 22 11.459 18.817 20.681 177 HG22 ILE 22 2HG2 ILE 22 10.949 18.291 19.077 178 HG23 ILE 22 3HG2 ILE 22 12.571 17.909 19.656 179 HD11 ILE 22 3HD1 ILE 22 14.219 19.007 17.567 180 HD12 ILE 22 1HD1 ILE 22 12.947 17.957 16.945 181 HD13 ILE 22 2HD1 ILE 22 13.562 19.281 15.954 182 H ILE 23 H ILE 23 13.833 21.829 20.117 183 HA ILE 23 HA ILE 23 13.603 24.615 19.554 184 HB ILE 23 HB ILE 23 16.042 22.895 20.008 185 HG12 ILE 23 1HG1 ILE 23 15.946 24.388 22.181 186 HG13 ILE 23 2HG1 ILE 23 14.241 24.519 21.761 187 HG21 ILE 23 1HG2 ILE 23 17.131 25.140 20.483 188 HG22 ILE 23 2HG2 ILE 23 16.818 24.754 18.791 189 HG23 ILE 23 3HG2 ILE 23 15.754 25.865 19.654 190 HD11 ILE 23 3HD1 ILE 23 13.889 22.223 22.025 191 HD12 ILE 23 1HD1 ILE 23 15.616 21.867 21.996 192 HD13 ILE 23 2HD1 ILE 23 14.908 22.690 23.386 193 H LYS 24 H LYS 24 14.430 21.821 17.694 194 HA LYS 24 HA LYS 24 15.587 23.425 15.545 195 HB2 LYS 24 1HB LYS 24 15.328 20.460 16.010 196 HB3 LYS 24 2HB LYS 24 15.829 21.115 14.456 197 HG2 LYS 24 1HG LYS 24 17.881 20.840 15.339 198 HG3 LYS 24 2HG LYS 24 17.539 22.419 16.050 199 HD2 LYS 24 1HD LYS 24 16.590 21.160 18.037 200 HD3 LYS 24 2HD LYS 24 17.311 19.708 17.339 201 HE2 LYS 24 1HE LYS 24 19.027 22.114 17.664 202 HE3 LYS 24 2HE LYS 24 18.599 21.198 19.108 203 HZ1 LYS 24 3HZ LYS 24 19.378 19.187 17.740 204 HZ2 LYS 24 1HZ LYS 24 20.550 20.209 18.407 205 HZ3 LYS 24 2HZ LYS 24 20.161 20.327 16.765 206 H CYS 25 H CYS 25 12.581 22.843 16.524 207 HA CYS 25 HA CYS 25 11.416 22.127 13.959 208 HG CYS 25 HG CYS 25 8.301 23.827 15.181 209 HB2 CYS 25 1HB CYS 25 10.308 21.132 15.801 210 HB3 CYS 25 2HB CYS 25 10.266 22.647 16.695 211 H GLN 26 H GLN 26 10.317 23.483 12.619 212 HA GLN 26 HA GLN 26 10.206 26.324 13.389 213 HB2 GLN 26 1HB GLN 26 10.878 25.208 10.660 214 HB3 GLN 26 2HB GLN 26 10.713 26.914 11.055 215 HG2 GLN 26 1HG GLN 26 12.658 26.917 12.358 216 HG3 GLN 26 2HG GLN 26 12.703 25.157 12.444 217 HE21 GLN 26 2HE2 GLN 26 14.377 24.423 11.363 218 HE22 GLN 26 1HE2 GLN 26 14.929 24.987 9.827 219 H CYS 27 H CYS 27 8.293 27.298 13.136 220 HA CYS 27 HA CYS 27 6.297 26.068 11.370 221 HG CYS 27 HG CYS 27 7.102 27.112 15.266 222 HB2 CYS 27 1HB CYS 27 4.554 26.430 13.086 223 HB3 CYS 27 2HB CYS 27 5.779 25.283 13.613 224 H TRP 28 H TRP 28 4.206 27.707 11.664 225 HA TRP 28 HA TRP 28 5.299 30.339 10.923 226 HD1 TRP 28 HD1 TRP 28 4.635 27.268 8.609 227 HE1 TRP 28 HE1 TRP 28 5.959 27.709 6.446 228 HE3 TRP 28 HE3 TRP 28 4.196 32.358 8.412 229 HZ2 TRP 28 HZ2 TRP 28 6.718 29.922 4.866 230 HZ3 TRP 28 HZ3 TRP 28 5.251 33.561 6.542 231 HH2 TRP 28 HH2 TRP 28 6.486 32.366 4.808 232 HB2 TRP 28 1HB TRP 28 2.883 28.822 9.963 233 HB3 TRP 28 2HB TRP 28 3.019 30.563 9.737 234 H VAL 29 H VAL 29 4.574 32.150 11.915 235 HA VAL 29 HA VAL 29 2.500 31.804 13.983 236 HB VAL 29 HB VAL 29 4.831 33.725 14.064 237 HG11 VAL 29 1HG1 VAL 29 2.375 33.476 15.600 238 HG12 VAL 29 2HG1 VAL 29 3.819 33.425 16.613 239 HG13 VAL 29 3HG1 VAL 29 3.542 34.796 15.538 240 HG21 VAL 29 3HG2 VAL 29 5.784 32.298 15.763 241 HG22 VAL 29 1HG2 VAL 29 4.404 31.204 15.664 242 HG23 VAL 29 2HG2 VAL 29 5.509 31.355 14.298 243 H GLN 30 H GLN 30 0.961 33.403 14.228 244 HA GLN 30 HA GLN 30 0.537 35.073 11.902 245 HB2 GLN 30 1HB GLN 30 -1.141 33.739 13.661 246 HB3 GLN 30 2HB GLN 30 -1.349 35.431 14.095 247 HG2 GLN 30 1HG GLN 30 -1.811 35.921 11.702 248 HG3 GLN 30 2HG GLN 30 -1.762 34.187 11.388 249 HE21 GLN 30 2HE2 GLN 30 -3.061 33.189 13.569 250 HE22 GLN 30 1HE2 GLN 30 -4.708 33.713 13.563 251 H LYS 31 H LYS 31 1.244 37.085 11.756 252 HA LYS 31 HA LYS 31 1.263 38.785 14.134 253 HB2 LYS 31 1HB LYS 31 3.633 37.812 12.719 254 HB3 LYS 31 2HB LYS 31 3.582 39.564 12.860 255 HG2 LYS 31 1HG LYS 31 3.309 37.650 15.168 256 HG3 LYS 31 2HG LYS 31 4.801 38.470 14.702 257 HD2 LYS 31 1HD LYS 31 2.381 40.136 15.146 258 HD3 LYS 31 2HD LYS 31 3.178 39.447 16.562 259 HE2 LYS 31 1HE LYS 31 5.321 40.397 15.259 260 HE3 LYS 31 2HE LYS 31 4.103 41.531 14.678 261 HZ1 LYS 31 3HZ LYS 31 4.011 42.535 16.650 262 HZ2 LYS 31 1HZ LYS 31 5.450 41.726 17.022 263 HZ3 LYS 31 2HZ LYS 31 3.966 41.078 17.509 264 H ASN 32 H ASN 32 0.612 40.820 13.732 265 HA ASN 32 HA ASN 32 -0.336 42.556 12.600 266 HB2 ASN 32 1HB ASN 32 2.237 42.533 11.943 267 HB3 ASN 32 2HB ASN 32 1.584 42.189 10.344 268 HD21 ASN 32 2HD2 ASN 32 0.522 43.767 9.231 269 HD22 ASN 32 1HD2 ASN 32 0.438 45.410 9.758 270 H ASP 33 H ASP 33 -1.818 40.371 12.222 271 HA ASP 33 HA ASP 33 -3.335 39.342 10.868 272 HB2 ASP 33 1HB ASP 33 -3.038 42.071 9.669 273 HB3 ASP 33 2HB ASP 33 -4.048 40.876 8.860 274 H GLU 34 H GLU 34 -0.481 38.889 10.335 275 HA GLU 34 HA GLU 34 -0.781 37.809 7.630 276 HB2 GLU 34 1HB GLU 34 1.294 39.732 8.558 277 HB3 GLU 34 2HB GLU 34 1.805 38.442 7.478 278 HG2 GLU 34 1HG GLU 34 -0.563 40.123 6.789 279 HG3 GLU 34 2HG GLU 34 1.070 40.722 6.502 280 H GLU 35 H GLU 35 1.314 36.396 7.181 281 HA GLU 35 HA GLU 35 1.786 34.782 9.602 282 HB2 GLU 35 1HB GLU 35 1.470 33.856 6.742 283 HB3 GLU 35 2HB GLU 35 1.961 32.819 8.074 284 HG2 GLU 35 1HG GLU 35 -0.306 32.396 7.846 285 HG3 GLU 35 2HG GLU 35 -0.226 33.532 9.191 286 H ARG 36 H ARG 36 3.839 34.465 10.172 287 HA ARG 36 HA ARG 36 5.944 34.896 8.162 288 HE ARG 36 HE ARG 36 6.313 39.420 7.831 289 HB2 ARG 36 1HB ARG 36 5.527 36.264 10.747 290 HB3 ARG 36 2HB ARG 36 7.172 35.729 10.433 291 HG2 ARG 36 1HG ARG 36 7.460 37.596 9.277 292 HG3 ARG 36 2HG ARG 36 6.363 36.934 8.063 293 HD2 ARG 36 1HD ARG 36 4.463 37.931 9.271 294 HD3 ARG 36 2HD ARG 36 5.589 38.630 10.435 295 HH11 ARG 36 1HH1 ARG 36 3.852 39.957 10.234 296 HH12 ARG 36 2HH1 ARG 36 3.493 41.564 9.696 297 HH21 ARG 36 1HH2 ARG 36 5.850 41.535 7.113 298 HH22 ARG 36 2HH2 ARG 36 4.630 42.460 7.920 299 H LEU 37 H LEU 37 7.491 33.379 8.110 300 HA LEU 37 HA LEU 37 7.206 30.983 9.568 301 HG LEU 37 HG LEU 37 9.546 29.614 9.421 302 HB2 LEU 37 1HB LEU 37 8.257 31.255 7.306 303 HB3 LEU 37 2HB LEU 37 9.672 31.924 8.117 304 HD11 LEU 37 1HD1 LEU 37 8.144 29.103 6.811 305 HD12 LEU 37 2HD1 LEU 37 7.596 28.707 8.439 306 HD13 LEU 37 3HD1 LEU 37 8.958 27.838 7.732 307 HD21 LEU 37 3HD2 LEU 37 11.426 29.098 8.287 308 HD22 LEU 37 1HD2 LEU 37 11.211 30.714 7.613 309 HD23 LEU 37 2HD2 LEU 37 10.661 29.302 6.710 310 H ALA 38 H ALA 38 7.516 30.875 11.697 311 HA ALA 38 HA ALA 38 9.807 32.300 12.868 312 HB1 ALA 38 1HB ALA 38 7.238 32.436 13.647 313 HB2 ALA 38 2HB ALA 38 7.794 31.102 14.659 314 HB3 ALA 38 3HB ALA 38 8.603 32.667 14.741 315 H GLU 39 H GLU 39 11.434 31.211 13.812 316 HA GLU 39 HA GLU 39 11.301 28.284 13.753 317 HB2 GLU 39 1HB GLU 39 13.168 29.147 12.537 318 HB3 GLU 39 2HB GLU 39 13.619 30.211 13.863 319 HG2 GLU 39 1HG GLU 39 14.595 28.537 15.064 320 HG3 GLU 39 2HG GLU 39 13.565 27.287 14.370 321 H ILE 40 H ILE 40 11.191 27.124 15.561 322 HA ILE 40 HA ILE 40 10.843 28.319 18.086 323 HB ILE 40 HB ILE 40 11.527 25.436 17.502 324 HG12 ILE 40 1HG1 ILE 40 9.537 26.267 16.258 325 HG13 ILE 40 2HG1 ILE 40 9.141 25.024 17.440 326 HG21 ILE 40 1HG2 ILE 40 10.922 26.910 19.939 327 HG22 ILE 40 2HG2 ILE 40 9.872 25.515 19.695 328 HG23 ILE 40 3HG2 ILE 40 11.623 25.306 19.730 329 HD11 ILE 40 3HD1 ILE 40 7.862 27.418 17.147 330 HD12 ILE 40 1HD1 ILE 40 7.804 26.390 18.579 331 HD13 ILE 40 2HD1 ILE 40 8.950 27.729 18.500 332 H LEU 41 H LEU 41 12.168 28.515 19.852 333 HA LEU 41 HA LEU 41 15.019 27.906 19.421 334 HG LEU 41 HG LEU 41 14.376 30.543 18.273 335 HB2 LEU 41 1HB LEU 41 13.691 30.313 20.609 336 HB3 LEU 41 2HB LEU 41 15.341 29.883 21.056 337 HD11 LEU 41 1HD1 LEU 41 15.808 32.106 20.387 338 HD12 LEU 41 2HD1 LEU 41 14.433 32.576 19.388 339 HD13 LEU 41 3HD1 LEU 41 16.043 32.469 18.677 340 HD21 LEU 41 3HD2 LEU 41 16.140 29.227 17.751 341 HD22 LEU 41 1HD2 LEU 41 16.886 29.405 19.340 342 HD23 LEU 41 2HD2 LEU 41 17.049 30.688 18.141 343 H SER 42 H SER 42 12.345 28.048 21.684 344 HA SER 42 HA SER 42 13.507 25.978 23.290 345 HG SER 42 HG SER 42 14.815 27.470 26.006 346 HB2 SER 42 1HB SER 42 14.182 28.596 24.006 347 HB3 SER 42 2HB SER 42 12.892 28.145 25.121 348 H ILE 43 H ILE 43 12.060 25.579 25.283 349 HA ILE 43 HA ILE 43 9.266 26.262 24.666 350 HB ILE 43 HB ILE 43 10.195 23.515 25.507 351 HG12 ILE 43 1HG1 ILE 43 9.146 24.406 22.813 352 HG13 ILE 43 2HG1 ILE 43 10.847 24.133 23.172 353 HG21 ILE 43 1HG2 ILE 43 8.070 23.413 26.220 354 HG22 ILE 43 2HG2 ILE 43 7.582 24.823 25.282 355 HG23 ILE 43 3HG2 ILE 43 7.682 23.242 24.508 356 HD11 ILE 43 3HD1 ILE 43 9.980 21.775 23.917 357 HD12 ILE 43 1HD1 ILE 43 8.638 22.177 22.847 358 HD13 ILE 43 2HD1 ILE 43 10.286 22.141 22.219 359 H ASN 44 H ASN 44 8.101 26.906 26.370 360 HA ASN 44 HA ASN 44 9.183 26.391 29.062 361 HB2 ASN 44 1HB ASN 44 9.538 28.724 28.511 362 HB3 ASN 44 2HB ASN 44 7.855 28.902 28.022 363 HD21 ASN 44 2HD2 ASN 44 7.157 30.365 29.456 364 HD22 ASN 44 1HD2 ASN 44 7.163 30.143 31.169 365 H THR 45 H THR 45 7.881 24.823 29.817 366 HA THR 45 HA THR 45 4.985 25.060 29.422 367 HB THR 45 HB THR 45 4.885 22.736 30.305 368 HG1 THR 45 HG1 THR 45 6.904 21.626 30.510 369 HG21 THR 45 3HG2 THR 45 5.593 23.580 27.803 370 HG22 THR 45 1HG2 THR 45 5.191 21.918 28.232 371 HG23 THR 45 2HG2 THR 45 6.877 22.431 28.177 372 H ARG 46 H ARG 46 5.306 26.952 31.022 373 HA ARG 46 HA ARG 46 5.010 25.911 33.764 374 HE ARG 46 HE ARG 46 7.549 27.912 36.737 375 HB2 ARG 46 1HB ARG 46 6.145 28.555 32.839 376 HB3 ARG 46 2HB ARG 46 5.787 28.170 34.517 377 HG2 ARG 46 1HG ARG 46 7.549 26.321 33.003 378 HG3 ARG 46 2HG ARG 46 8.203 27.880 33.511 379 HD2 ARG 46 1HD ARG 46 6.725 26.200 35.484 380 HD3 ARG 46 2HD ARG 46 8.384 25.776 35.066 381 HH11 ARG 46 1HH1 ARG 46 9.941 27.032 34.365 382 HH12 ARG 46 2HH1 ARG 46 11.137 28.127 34.974 383 HH21 ARG 46 1HH2 ARG 46 9.116 29.357 37.549 384 HH22 ARG 46 2HH2 ARG 46 10.668 29.448 36.786 385 H LYS 47 H LYS 47 3.181 26.776 31.345 386 HA LYS 47 HA LYS 47 1.183 28.042 33.070 387 HB2 LYS 47 1HB LYS 47 2.531 29.624 31.392 388 HB3 LYS 47 2HB LYS 47 1.333 29.011 30.260 389 HG2 LYS 47 1HG LYS 47 -0.404 30.063 31.309 390 HG3 LYS 47 2HG LYS 47 0.401 30.063 32.880 391 HD2 LYS 47 1HD LYS 47 0.690 32.256 32.400 392 HD3 LYS 47 2HD LYS 47 2.086 31.643 31.511 393 HE2 LYS 47 1HE LYS 47 1.171 32.109 29.506 394 HE3 LYS 47 2HE LYS 47 -0.446 31.630 30.019 395 HZ1 LYS 47 3HZ LYS 47 -0.747 33.728 31.088 396 HZ2 LYS 47 1HZ LYS 47 -0.227 34.023 29.506 397 HZ3 LYS 47 2HZ LYS 47 0.856 34.181 30.795 398 H ALA 48 H ALA 48 -0.981 28.170 31.724 399 HA ALA 48 HA ALA 48 -1.285 25.792 30.041 400 HB1 ALA 48 1HB ALA 48 -3.477 25.388 31.385 401 HB2 ALA 48 2HB ALA 48 -1.939 24.801 32.019 402 HB3 ALA 48 3HB ALA 48 -2.645 26.287 32.654 403 HA PRO 49 HA PRO 49 -1.630 25.474 28.219 404 HB2 PRO 49 1HB PRO 49 -1.071 26.628 25.826 405 HB3 PRO 49 2HB PRO 49 -2.585 25.777 26.151 406 HG2 PRO 49 1HG PRO 49 -2.022 28.717 26.176 407 HG3 PRO 49 2HG PRO 49 -3.417 27.850 25.506 408 HD2 PRO 49 1HD PRO 49 -3.498 29.109 27.902 409 HD3 PRO 49 2HD PRO 49 -4.433 27.638 27.564 410 HA PRO 50 HA PRO 50 2.444 26.937 28.993 411 HB2 PRO 50 1HB PRO 50 3.921 25.494 27.230 412 HB3 PRO 50 2HB PRO 50 3.175 24.784 28.667 413 HG2 PRO 50 1HG PRO 50 2.226 24.752 25.828 414 HG3 PRO 50 2HG PRO 50 2.241 23.437 27.018 415 HD2 PRO 50 1HD PRO 50 0.007 24.853 26.441 416 HD3 PRO 50 2HD PRO 50 0.323 24.183 28.054 417 H LYS 51 H LYS 51 4.533 27.635 27.727 418 HA LYS 51 HA LYS 51 3.710 29.337 25.465 419 HB2 LYS 51 1HB LYS 51 5.263 29.979 27.925 420 HB3 LYS 51 2HB LYS 51 5.735 30.773 26.429 421 HG2 LYS 51 1HG LYS 51 3.347 31.509 26.184 422 HG3 LYS 51 2HG LYS 51 3.075 30.907 27.821 423 HD2 LYS 51 1HD LYS 51 4.299 32.576 28.784 424 HD3 LYS 51 2HD LYS 51 5.367 32.746 27.389 425 HE2 LYS 51 1HE LYS 51 4.160 34.679 27.204 426 HE3 LYS 51 2HE LYS 51 3.161 33.600 26.232 427 HZ1 LYS 51 3HZ LYS 51 1.557 33.479 27.851 428 HZ2 LYS 51 1HZ LYS 51 2.081 35.076 28.046 429 HZ3 LYS 51 2HZ LYS 51 2.617 33.874 29.108 430 H PHE 52 H PHE 52 5.437 29.913 23.971 431 HA PHE 52 HA PHE 52 7.741 28.103 24.000 432 HD1 PHE 52 HD1 PHE 52 4.065 27.626 23.215 433 HD2 PHE 52 HD2 PHE 52 7.500 25.340 22.172 434 HE1 PHE 52 HE1 PHE 52 2.903 25.571 23.909 435 HE2 PHE 52 HE2 PHE 52 6.344 23.281 22.863 436 HZ PHE 52 HZ PHE 52 4.042 23.395 23.732 437 HB2 PHE 52 1HB PHE 52 5.874 28.471 21.649 438 HB3 PHE 52 2HB PHE 52 7.401 27.597 21.599 439 H TYR 53 H TYR 53 9.548 28.837 22.831 440 HA TYR 53 HA TYR 53 9.528 31.729 22.359 441 HD1 TYR 53 HD2 TYR 53 10.300 33.134 23.691 442 HD2 TYR 53 HD1 TYR 53 13.921 31.423 22.255 443 HE1 TYR 53 HE2 TYR 53 11.383 35.339 23.811 444 HE2 TYR 53 HE1 TYR 53 15.014 33.623 22.372 445 HH TYR 53 HH TYR 53 14.512 35.849 23.882 446 HB2 TYR 53 1HB TYR 53 11.214 30.419 23.900 447 HB3 TYR 53 2HB TYR 53 12.035 30.095 22.378 448 H VAL 54 H VAL 54 9.501 32.488 20.358 449 HA VAL 54 HA VAL 54 10.518 30.775 18.184 450 HB VAL 54 HB VAL 54 8.864 31.973 16.704 451 HG11 VAL 54 1HG1 VAL 54 8.611 29.656 17.804 452 HG12 VAL 54 2HG1 VAL 54 7.432 30.450 18.850 453 HG13 VAL 54 3HG1 VAL 54 7.182 30.416 17.104 454 HG21 VAL 54 3HG2 VAL 54 7.741 32.831 19.369 455 HG22 VAL 54 1HG2 VAL 54 8.385 33.881 18.107 456 HG23 VAL 54 2HG2 VAL 54 6.900 32.972 17.825 457 H HIS 55 H HIS 55 11.492 31.842 16.396 458 HA HIS 55 HA HIS 55 12.317 34.619 16.920 459 HD1 HIS 55 HD1 HIS 55 14.134 35.980 15.668 460 HD2 HIS 55 HD2 HIS 55 16.164 32.507 14.629 461 HE1 HIS 55 HE1 HIS 55 15.858 36.689 13.980 462 HB2 HIS 55 1HB HIS 55 14.282 33.493 17.444 463 HB3 HIS 55 2HB HIS 55 13.998 32.231 16.249 464 H TYR 56 H TYR 56 11.954 35.970 15.288 465 HA TYR 56 HA TYR 56 10.817 35.008 12.841 466 HD1 TYR 56 HD2 TYR 56 8.431 36.270 12.546 467 HD2 TYR 56 HD1 TYR 56 10.550 38.122 15.737 468 HE1 TYR 56 HE2 TYR 56 6.347 36.400 13.846 469 HE2 TYR 56 HE1 TYR 56 8.472 38.256 17.046 470 HH TYR 56 HH TYR 56 5.913 36.544 16.615 471 HB2 TYR 56 1HB TYR 56 11.620 37.803 13.674 472 HB3 TYR 56 2HB TYR 56 10.692 37.405 12.233 473 H VAL 57 H VAL 57 12.069 34.108 11.341 474 HA VAL 57 HA VAL 57 14.830 34.495 11.050 475 HB VAL 57 HB VAL 57 12.871 33.552 8.951 476 HG11 VAL 57 1HG1 VAL 57 15.865 33.407 9.163 477 HG12 VAL 57 2HG1 VAL 57 14.937 32.316 8.132 478 HG13 VAL 57 3HG1 VAL 57 14.887 34.056 7.847 479 HG21 VAL 57 3HG2 VAL 57 12.600 31.736 10.203 480 HG22 VAL 57 1HG2 VAL 57 14.328 31.412 10.062 481 HG23 VAL 57 2HG2 VAL 57 13.716 32.366 11.414 482 H ASN 58 H ASN 58 12.111 36.257 9.791 483 HA ASN 58 HA ASN 58 13.468 37.586 7.679 484 HB2 ASN 58 1HB ASN 58 10.945 38.244 9.205 485 HB3 ASN 58 2HB ASN 58 11.529 39.210 7.853 486 HD21 ASN 58 2HD2 ASN 58 9.770 36.487 8.803 487 HD22 ASN 58 1HD2 ASN 58 9.480 35.823 7.235 488 H TYR 59 H TYR 59 13.427 37.997 11.084 489 HA TYR 59 HA TYR 59 14.844 40.565 10.793 490 HD1 TYR 59 HD2 TYR 59 13.402 42.738 11.029 491 HD2 TYR 59 HD1 TYR 59 10.922 39.559 12.389 492 HE1 TYR 59 HE2 TYR 59 11.462 43.798 9.952 493 HE2 TYR 59 HE1 TYR 59 8.975 40.610 11.314 494 HH TYR 59 HH TYR 59 9.045 42.695 9.020 495 HB2 TYR 59 1HB TYR 59 13.128 39.661 13.115 496 HB3 TYR 59 2HB TYR 59 14.008 41.182 13.021 497 H ASN 60 H ASN 60 15.921 40.892 13.224 498 HA ASN 60 HA ASN 60 18.018 38.919 13.240 499 HB2 ASN 60 1HB ASN 60 17.525 41.478 14.744 500 HB3 ASN 60 2HB ASN 60 18.836 40.395 15.203 501 HD21 ASN 60 2HD2 ASN 60 17.482 41.685 12.183 502 HD22 ASN 60 1HD2 ASN 60 19.000 42.162 11.510 503 H LYS 61 H LYS 61 18.828 38.210 15.506 504 HA LYS 61 HA LYS 61 16.832 36.525 16.620 505 HB2 LYS 61 1HB LYS 61 18.589 35.874 18.227 506 HB3 LYS 61 2HB LYS 61 19.156 35.827 16.563 507 HG2 LYS 61 1HG LYS 61 19.623 38.374 17.934 508 HG3 LYS 61 2HG LYS 61 20.479 36.992 18.623 509 HD2 LYS 61 1HD LYS 61 20.965 36.560 16.022 510 HD3 LYS 61 2HD LYS 61 20.802 38.317 15.996 511 HE2 LYS 61 1HE LYS 61 22.608 36.813 17.882 512 HE3 LYS 61 2HE LYS 61 23.136 37.494 16.344 513 HZ1 LYS 61 3HZ LYS 61 22.675 38.801 18.852 514 HZ2 LYS 61 1HZ LYS 61 21.881 39.569 17.570 515 HZ3 LYS 61 2HZ LYS 61 23.554 39.328 17.506 516 H ARG 62 H ARG 62 17.561 39.760 17.135 517 HA ARG 62 HA ARG 62 16.876 39.848 19.938 518 HE ARG 62 HE ARG 62 17.926 44.717 15.753 519 HB2 ARG 62 1HB ARG 62 17.110 42.255 19.726 520 HB3 ARG 62 2HB ARG 62 18.471 41.454 18.954 521 HG2 ARG 62 1HG ARG 62 17.524 41.843 16.773 522 HG3 ARG 62 2HG ARG 62 16.065 42.524 17.496 523 HD2 ARG 62 1HD ARG 62 17.542 44.264 18.561 524 HD3 ARG 62 2HD ARG 62 18.855 43.652 17.555 525 HH11 ARG 62 1HH1 ARG 62 15.584 44.560 18.324 526 HH12 ARG 62 2HH1 ARG 62 14.445 45.592 17.525 527 HH21 ARG 62 1HH2 ARG 62 16.434 46.078 14.692 528 HH22 ARG 62 2HH2 ARG 62 14.929 46.454 15.459 529 H LEU 63 H LEU 63 15.088 39.301 17.272 530 HA LEU 63 HA LEU 63 12.794 40.915 18.116 531 HG LEU 63 HG LEU 63 12.357 41.466 14.538 532 HB2 LEU 63 1HB LEU 63 13.684 39.700 15.602 533 HB3 LEU 63 2HB LEU 63 11.959 39.525 15.921 534 HD11 LEU 63 1HD1 LEU 63 10.987 42.930 15.666 535 HD12 LEU 63 2HD1 LEU 63 11.768 42.636 17.219 536 HD13 LEU 63 3HD1 LEU 63 10.682 41.426 16.535 537 HD21 LEU 63 3HD2 LEU 63 14.711 41.733 15.859 538 HD22 LEU 63 1HD2 LEU 63 13.754 43.013 16.606 539 HD23 LEU 63 2HD2 LEU 63 13.979 42.987 14.857 540 H ASP 64 H ASP 64 14.086 37.982 18.802 541 HA ASP 64 HA ASP 64 12.089 36.098 18.604 542 HB2 ASP 64 1HB ASP 64 13.979 36.473 20.937 543 HB3 ASP 64 2HB ASP 64 13.113 34.992 20.539 544 H GLU 65 H GLU 65 10.476 35.340 20.057 545 HA GLU 65 HA GLU 65 9.677 36.998 22.283 546 HB2 GLU 65 1HB GLU 65 7.507 37.602 21.449 547 HB3 GLU 65 2HB GLU 65 8.712 38.156 20.295 548 HG2 GLU 65 1HG GLU 65 8.218 36.353 18.809 549 HG3 GLU 65 2HG GLU 65 7.162 35.597 20.001 550 H TRP 66 H TRP 66 7.755 36.098 23.403 551 HA TRP 66 HA TRP 66 7.797 33.173 23.208 552 HD1 TRP 66 HD1 TRP 66 9.654 35.569 25.961 553 HE1 TRP 66 HE1 TRP 66 11.600 34.101 26.789 554 HE3 TRP 66 HE3 TRP 66 7.543 30.962 25.280 555 HZ2 TRP 66 HZ2 TRP 66 12.165 31.354 27.111 556 HZ3 TRP 66 HZ3 TRP 66 8.854 28.966 25.872 557 HH2 TRP 66 HH2 TRP 66 11.117 29.160 26.768 558 HB2 TRP 66 1HB TRP 66 7.136 35.096 25.420 559 HB3 TRP 66 2HB TRP 66 6.582 33.425 25.492 560 H ILE 67 H ILE 67 6.277 32.489 21.819 561 HA ILE 67 HA ILE 67 3.615 33.719 21.911 562 HB ILE 67 HB ILE 67 3.181 32.541 19.795 563 HG12 ILE 67 1HG1 ILE 67 6.094 31.761 19.782 564 HG13 ILE 67 2HG1 ILE 67 4.838 30.670 20.359 565 HG21 ILE 67 1HG2 ILE 67 5.475 34.416 20.088 566 HG22 ILE 67 2HG2 ILE 67 5.127 33.740 18.497 567 HG23 ILE 67 3HG2 ILE 67 3.895 34.672 19.348 568 HD11 ILE 67 3HD1 ILE 67 3.810 31.362 17.973 569 HD12 ILE 67 1HD1 ILE 67 5.534 31.481 17.624 570 HD13 ILE 67 2HD1 ILE 67 4.859 29.968 18.231 571 H THR 68 H THR 68 1.734 32.435 22.057 572 HA THR 68 HA THR 68 2.157 29.936 23.531 573 HB THR 68 HB THR 68 -0.448 30.293 23.870 574 HG1 THR 68 HG1 THR 68 0.462 32.972 23.572 575 HG21 THR 68 3HG2 THR 68 0.014 31.357 25.957 576 HG22 THR 68 1HG2 THR 68 1.517 32.044 25.342 577 HG23 THR 68 2HG2 THR 68 1.382 30.304 25.596 578 H THR 69 H THR 69 0.143 28.393 23.221 579 HA THR 69 HA THR 69 0.370 27.198 20.730 580 HB THR 69 HB THR 69 -1.537 25.830 21.311 581 HG1 THR 69 HG1 THR 69 -2.012 27.695 23.418 582 HG21 THR 69 3HG2 THR 69 0.586 25.453 22.528 583 HG22 THR 69 1HG2 THR 69 -0.830 24.991 23.472 584 HG23 THR 69 2HG2 THR 69 0.006 26.505 23.819 585 H ASP 70 H ASP 70 -2.140 29.410 21.916 586 HA ASP 70 HA ASP 70 -3.722 29.352 19.575 587 HB2 ASP 70 1HB ASP 70 -3.488 31.323 21.844 588 HB3 ASP 70 2HB ASP 70 -4.603 31.570 20.502 589 H ARG 71 H ARG 71 -0.695 30.718 20.189 590 HA ARG 71 HA ARG 71 -0.994 32.750 18.100 591 HE ARG 71 HE ARG 71 -0.459 35.654 22.222 592 HB2 ARG 71 1HB ARG 71 1.178 32.235 20.131 593 HB3 ARG 71 2HB ARG 71 1.328 33.422 18.842 594 HG2 ARG 71 1HG ARG 71 -0.955 34.285 19.834 595 HG3 ARG 71 2HG ARG 71 -0.361 33.471 21.283 596 HD2 ARG 71 1HD ARG 71 1.775 34.758 21.012 597 HD3 ARG 71 2HD ARG 71 0.983 35.676 19.732 598 HH11 ARG 71 1HH1 ARG 71 2.009 37.234 20.344 599 HH12 ARG 71 2HH1 ARG 71 1.854 38.748 21.173 600 HH21 ARG 71 1HH2 ARG 71 -0.673 37.641 23.321 601 HH22 ARG 71 2HH2 ARG 71 0.329 38.978 22.867 602 H ILE 72 H ILE 72 -0.553 29.631 18.012 603 HA ILE 72 HA ILE 72 1.680 29.692 16.092 604 HB ILE 72 HB ILE 72 0.544 27.338 17.607 605 HG12 ILE 72 1HG1 ILE 72 3.332 28.436 17.848 606 HG13 ILE 72 2HG1 ILE 72 2.015 29.120 18.794 607 HG21 ILE 72 1HG2 ILE 72 1.315 26.681 15.398 608 HG22 ILE 72 2HG2 ILE 72 2.859 27.483 15.681 609 HG23 ILE 72 3HG2 ILE 72 2.409 26.072 16.639 610 HD11 ILE 72 3HD1 ILE 72 1.895 26.313 19.081 611 HD12 ILE 72 1HD1 ILE 72 3.571 26.808 19.316 612 HD13 ILE 72 2HD1 ILE 72 2.293 27.528 20.295 613 H ASN 73 H ASN 73 1.433 28.829 14.054 614 HA ASN 73 HA ASN 73 -1.343 28.445 13.197 615 HB2 ASN 73 1HB ASN 73 0.002 30.174 12.039 616 HB3 ASN 73 2HB ASN 73 1.134 28.926 11.525 617 HD21 ASN 73 2HD2 ASN 73 -1.531 30.686 10.665 618 HD22 ASN 73 1HD2 ASN 73 -2.109 29.700 9.369 619 H LEU 74 H LEU 74 -1.947 26.374 13.308 620 HA LEU 74 HA LEU 74 -0.040 24.264 12.645 621 HG LEU 74 HG LEU 74 -1.658 23.033 15.740 622 HB2 LEU 74 1HB LEU 74 -2.661 24.381 14.053 623 HB3 LEU 74 2HB LEU 74 -2.168 22.861 13.310 624 HD11 LEU 74 1HD1 LEU 74 -0.201 21.468 15.146 625 HD12 LEU 74 2HD1 LEU 74 1.018 22.736 15.022 626 HD13 LEU 74 3HD1 LEU 74 0.100 22.252 13.595 627 HD21 LEU 74 3HD2 LEU 74 -0.960 25.558 15.324 628 HD22 LEU 74 1HD2 LEU 74 0.632 24.822 15.136 629 HD23 LEU 74 2HD2 LEU 74 -0.270 24.600 16.635 630 H ASP 75 H ASP 75 -1.399 26.124 10.681 631 HA ASP 75 HA ASP 75 -2.901 24.176 9.086 632 HB2 ASP 75 1HB ASP 75 -2.814 27.139 9.229 633 HB3 ASP 75 2HB ASP 75 -3.093 26.436 7.639 634 H LYS 76 H LYS 76 0.128 25.788 9.267 635 HA LYS 76 HA LYS 76 0.793 25.086 6.500 636 HB2 LYS 76 1HB LYS 76 1.765 27.081 8.438 637 HB3 LYS 76 2HB LYS 76 3.022 26.315 7.475 638 HG2 LYS 76 1HG LYS 76 2.532 28.056 6.110 639 HG3 LYS 76 2HG LYS 76 1.349 26.894 5.505 640 HD2 LYS 76 1HD LYS 76 -0.418 28.002 6.435 641 HD3 LYS 76 2HD LYS 76 0.543 28.634 7.775 642 HE2 LYS 76 1HE LYS 76 1.177 29.593 5.036 643 HE3 LYS 76 2HE LYS 76 -0.308 30.177 5.787 644 HZ1 LYS 76 3HZ LYS 76 0.995 30.946 7.673 645 HZ2 LYS 76 1HZ LYS 76 1.547 31.652 6.238 646 HZ3 LYS 76 2HZ LYS 76 2.418 30.388 6.949 647 H GLU 77 H GLU 77 2.530 23.754 5.983 648 HA GLU 77 HA GLU 77 2.965 21.528 7.588 649 HB2 GLU 77 1HB GLU 77 4.891 22.545 5.498 650 HB3 GLU 77 2HB GLU 77 4.669 20.883 6.026 651 HG2 GLU 77 1HG GLU 77 2.242 21.206 5.175 652 HG3 GLU 77 2HG GLU 77 2.928 22.557 4.275 653 H VAL 78 H VAL 78 4.611 20.872 8.945 654 HA VAL 78 HA VAL 78 6.204 23.050 10.094 655 HB VAL 78 HB VAL 78 5.561 20.310 11.193 656 HG11 VAL 78 1HG1 VAL 78 7.142 22.586 12.379 657 HG12 VAL 78 2HG1 VAL 78 6.568 21.189 13.292 658 HG13 VAL 78 3HG1 VAL 78 7.729 20.971 11.982 659 HG21 VAL 78 3HG2 VAL 78 4.462 23.054 11.684 660 HG22 VAL 78 1HG2 VAL 78 3.600 21.546 11.378 661 HG23 VAL 78 2HG2 VAL 78 4.385 21.812 12.934 662 H LEU 79 H LEU 79 8.399 23.012 10.176 663 HA LEU 79 HA LEU 79 9.720 20.936 8.584 664 HG LEU 79 HG LEU 79 9.150 23.736 7.435 665 HB2 LEU 79 1HB LEU 79 10.551 23.705 9.414 666 HB3 LEU 79 2HB LEU 79 11.654 22.565 8.646 667 HD11 LEU 79 1HD1 LEU 79 11.139 25.236 7.630 668 HD12 LEU 79 2HD1 LEU 79 10.611 24.926 5.977 669 HD13 LEU 79 3HD1 LEU 79 12.027 24.094 6.621 670 HD21 LEU 79 3HD2 LEU 79 10.078 22.595 5.358 671 HD22 LEU 79 1HD2 LEU 79 9.308 21.561 6.561 672 HD23 LEU 79 2HD2 LEU 79 11.067 21.637 6.461 673 H TYR 80 H TYR 80 10.924 19.427 9.521 674 HA TYR 80 HA TYR 80 11.910 19.919 12.255 675 HD1 TYR 80 HD1 TYR 80 10.892 18.873 14.465 676 HD2 TYR 80 HD2 TYR 80 8.465 17.803 11.138 677 HE1 TYR 80 HE1 TYR 80 8.876 19.388 15.777 678 HE2 TYR 80 HE2 TYR 80 6.443 18.317 12.440 679 HH TYR 80 HH TYR 80 5.630 19.032 14.374 680 HB2 TYR 80 1HB TYR 80 10.762 17.405 11.047 681 HB3 TYR 80 2HB TYR 80 11.717 17.391 12.525 682 HA PRO 81 HA PRO 81 15.971 18.965 10.897 683 HB2 PRO 81 1HB PRO 81 16.991 17.692 13.067 684 HB3 PRO 81 2HB PRO 81 16.676 19.431 13.033 685 HG2 PRO 81 1HG PRO 81 15.019 17.227 14.201 686 HG3 PRO 81 2HG PRO 81 15.397 18.822 14.878 687 HD2 PRO 81 1HD PRO 81 13.035 18.273 13.672 688 HD3 PRO 81 2HD PRO 81 13.788 19.880 13.611 689 H LYS 82 H LYS 82 17.510 17.198 10.494 690 HA LYS 82 HA LYS 82 16.149 14.600 10.205 691 HB2 LYS 82 1HB LYS 82 16.500 15.712 8.041 692 HB3 LYS 82 2HB LYS 82 18.222 15.832 8.380 693 HG2 LYS 82 1HG LYS 82 18.170 13.985 7.035 694 HG3 LYS 82 2HG LYS 82 18.051 13.235 8.628 695 HD2 LYS 82 1HD LYS 82 15.852 12.662 8.344 696 HD3 LYS 82 2HD LYS 82 15.533 14.003 7.242 697 HE2 LYS 82 1HE LYS 82 15.457 12.137 5.855 698 HE3 LYS 82 2HE LYS 82 17.091 12.754 5.616 699 HZ1 LYS 82 3HZ LYS 82 16.976 10.319 5.928 700 HZ2 LYS 82 1HZ LYS 82 16.397 10.566 7.498 701 HZ3 LYS 82 2HZ LYS 82 17.949 11.090 7.077 702 H LEU 83 H LEU 83 17.051 12.963 11.260 703 HA LEU 83 HA LEU 83 19.940 12.985 11.751 704 HG LEU 83 HG LEU 83 18.728 14.961 13.577 705 HB2 LEU 83 1HB LEU 83 17.775 12.696 13.811 706 HB3 LEU 83 2HB LEU 83 19.398 12.061 14.072 707 HD11 LEU 83 1HD1 LEU 83 18.785 15.345 15.831 708 HD12 LEU 83 2HD1 LEU 83 19.765 13.918 16.164 709 HD13 LEU 83 3HD1 LEU 83 18.047 13.744 15.804 710 HD21 LEU 83 3HD2 LEU 83 21.096 15.239 14.430 711 HD22 LEU 83 1HD2 LEU 83 20.923 14.570 12.807 712 HD23 LEU 83 2HD2 LEU 83 21.293 13.506 14.165 713 H LYS 84 H LYS 84 20.657 11.214 10.775 714 HA LYS 84 HA LYS 84 19.584 8.634 11.495 715 HB2 LYS 84 1HB LYS 84 19.142 9.842 8.813 716 HB3 LYS 84 2HB LYS 84 19.572 8.138 8.870 717 HG2 LYS 84 1HG LYS 84 17.665 7.951 10.599 718 HG3 LYS 84 2HG LYS 84 17.144 9.507 9.949 719 HD2 LYS 84 1HD LYS 84 15.957 7.974 8.666 720 HD3 LYS 84 2HD LYS 84 17.347 8.354 7.646 721 HE2 LYS 84 1HE LYS 84 17.277 6.050 7.522 722 HE3 LYS 84 2HE LYS 84 18.435 6.309 8.826 723 HZ1 LYS 84 3HZ LYS 84 15.934 4.972 8.896 724 HZ2 LYS 84 1HZ LYS 84 15.960 6.228 10.030 725 HZ3 LYS 84 2HZ LYS 84 17.149 5.026 10.072 726 H ALA 85 H ALA 85 21.256 7.324 11.789 727 HA ALA 85 HA ALA 85 23.704 7.795 10.215 728 HB1 ALA 85 1HB ALA 85 23.532 8.197 12.873 729 HB2 ALA 85 2HB ALA 85 24.004 6.497 12.842 730 HB3 ALA 85 3HB ALA 85 25.012 7.707 12.048 731 H THR 86 H THR 86 23.482 6.239 8.677 732 HA THR 86 HA THR 86 23.571 3.465 9.620 733 HB THR 86 HB THR 86 21.779 4.420 7.378 734 HG1 THR 86 HG1 THR 86 20.175 4.222 8.786 735 HG21 THR 86 3HG2 THR 86 22.831 1.781 8.119 736 HG22 THR 86 1HG2 THR 86 22.149 2.341 6.593 737 HG23 THR 86 2HG2 THR 86 21.082 1.838 7.903 738 H ASP 87 H ASP 87 25.392 2.614 8.881 739 HA ASP 87 HA ASP 87 26.333 3.409 6.203 740 HB2 ASP 87 1HB ASP 87 27.894 2.792 8.708 741 HB3 ASP 87 2HB ASP 87 28.637 2.777 7.112 742 H GLU 88 H GLU 88 24.826 1.576 5.633 743 HA GLU 88 HA GLU 88 26.175 -1.022 5.958 744 HB2 GLU 88 1HB GLU 88 23.928 -1.022 6.884 745 HB3 GLU 88 2HB GLU 88 23.275 -0.404 5.373 746 HG2 GLU 88 1HG GLU 88 23.542 -2.420 4.277 747 HG3 GLU 88 2HG GLU 88 24.763 -2.992 5.413 748 H ASP 89 H ASP 89 27.619 -0.568 4.220 749 HA ASP 89 HA ASP 89 26.364 -0.525 1.558 750 HB2 ASP 89 1HB ASP 89 28.025 1.308 2.268 751 HB3 ASP 89 2HB ASP 89 29.264 0.066 2.114 Start of MODEL 17 1 H1 GLY -2 H GLY -2 18.600 -2.392 -19.041 2 HA2 GLY -2 1HA GLY -2 19.767 -0.223 -19.972 3 HA3 GLY -2 2HA GLY -2 18.085 -0.533 -20.377 4 H SER -1 H SER -1 17.334 1.528 -20.462 5 HA SER -1 HA SER -1 16.612 3.567 -19.753 6 HG SER -1 HG SER -1 15.354 1.106 -17.235 7 HB2 SER -1 1HB SER -1 16.782 2.620 -16.909 8 HB3 SER -1 2HB SER -1 15.560 3.636 -17.672 9 H HIS 0 H HIS 0 19.356 3.381 -20.169 10 HA HIS 0 HA HIS 0 20.736 4.611 -17.950 11 HD1 HIS 0 HD1 HIS 0 22.250 6.019 -21.700 12 HD2 HIS 0 HD2 HIS 0 20.996 2.059 -21.780 13 HE1 HIS 0 HE1 HIS 0 21.881 5.480 -24.128 14 HB2 HIS 0 1HB HIS 0 22.672 4.661 -19.480 15 HB3 HIS 0 2HB HIS 0 21.946 3.059 -19.391 16 H MET 1 H MET 1 19.168 5.614 -20.895 17 HA MET 1 HA MET 1 20.296 8.138 -21.246 18 HB2 MET 1 1HB MET 1 17.471 7.216 -21.799 19 HB3 MET 1 2HB MET 1 18.169 8.715 -22.399 20 HG2 MET 1 1HG MET 1 19.893 7.376 -23.576 21 HG3 MET 1 2HG MET 1 19.047 5.917 -23.066 22 HE1 MET 1 3HE MET 1 16.753 5.520 -23.337 23 HE2 MET 1 1HE MET 1 15.621 6.303 -24.439 24 HE3 MET 1 2HE MET 1 16.687 5.029 -25.030 25 H SER 2 H SER 2 17.812 7.031 -19.034 26 HA SER 2 HA SER 2 16.776 9.501 -18.233 27 HG SER 2 HG SER 2 16.162 9.060 -15.556 28 HB2 SER 2 1HB SER 2 15.903 7.173 -17.661 29 HB3 SER 2 2HB SER 2 17.126 7.134 -16.392 30 H HIS 3 H HIS 3 17.192 10.781 -16.372 31 HA HIS 3 HA HIS 3 19.899 10.498 -15.254 32 HD1 HIS 3 HD1 HIS 3 21.664 11.215 -14.785 33 HD2 HIS 3 HD2 HIS 3 20.696 15.155 -15.678 34 HE1 HIS 3 HE1 HIS 3 23.616 12.584 -13.986 35 HB2 HIS 3 1HB HIS 3 19.588 12.330 -17.053 36 HB3 HIS 3 2HB HIS 3 18.680 13.190 -15.814 37 H ASP 4 H ASP 4 20.189 11.244 -13.128 38 HA ASP 4 HA ASP 4 17.679 11.506 -11.618 39 HB2 ASP 4 1HB ASP 4 20.410 10.535 -10.755 40 HB3 ASP 4 2HB ASP 4 19.054 10.770 -9.656 41 H GLY 5 H GLY 5 17.985 12.757 -9.492 42 HA2 GLY 5 1HA GLY 5 19.405 15.262 -10.143 43 HA3 GLY 5 2HA GLY 5 17.946 15.167 -9.168 44 H LYS 6 H LYS 6 18.340 15.603 -7.114 45 HA LYS 6 HA LYS 6 20.490 14.235 -5.730 46 HB2 LYS 6 1HB LYS 6 21.644 16.223 -6.492 47 HB3 LYS 6 2HB LYS 6 20.350 17.250 -5.888 48 HG2 LYS 6 1HG LYS 6 20.969 16.957 -3.680 49 HG3 LYS 6 2HG LYS 6 21.844 15.462 -4.018 50 HD2 LYS 6 1HD LYS 6 23.563 16.981 -3.692 51 HD3 LYS 6 2HD LYS 6 23.384 16.986 -5.448 52 HE2 LYS 6 1HE LYS 6 21.876 18.944 -3.759 53 HE3 LYS 6 2HE LYS 6 23.563 19.240 -4.176 54 HZ1 LYS 6 3HZ LYS 6 22.939 19.934 -6.169 55 HZ2 LYS 6 1HZ LYS 6 21.316 19.745 -5.728 56 HZ3 LYS 6 2HZ LYS 6 22.140 18.477 -6.486 57 H GLU 7 H GLU 7 20.158 14.056 -3.517 58 HA GLU 7 HA GLU 7 17.529 15.001 -2.585 59 HB2 GLU 7 1HB GLU 7 18.141 12.458 -2.791 60 HB3 GLU 7 2HB GLU 7 18.995 12.740 -1.281 61 HG2 GLU 7 1HG GLU 7 16.868 11.929 -0.696 62 HG3 GLU 7 2HG GLU 7 16.842 13.660 -0.363 63 H GLU 8 H GLU 8 17.368 16.130 -0.714 64 HA GLU 8 HA GLU 8 19.843 16.570 0.820 65 HB2 GLU 8 1HB GLU 8 17.925 18.543 -0.328 66 HB3 GLU 8 2HB GLU 8 18.658 18.911 1.227 67 HG2 GLU 8 1HG GLU 8 20.115 18.346 -1.345 68 HG3 GLU 8 2HG GLU 8 19.923 19.916 -0.568 69 HA PRO 9 HA PRO 9 17.604 15.692 4.487 70 HB2 PRO 9 1HB PRO 9 18.636 17.482 6.248 71 HB3 PRO 9 2HB PRO 9 19.544 16.087 5.654 72 HG2 PRO 9 1HG PRO 9 19.656 18.941 4.757 73 HG3 PRO 9 2HG PRO 9 20.987 17.802 5.035 74 HD2 PRO 9 1HD PRO 9 20.043 18.363 2.560 75 HD3 PRO 9 2HD PRO 9 20.699 16.771 2.994 76 H GLY 10 H GLY 10 16.296 16.748 6.298 77 HA2 GLY 10 1HA GLY 10 14.995 18.670 6.998 78 HA3 GLY 10 2HA GLY 10 14.920 19.165 5.314 79 H ILE 11 H ILE 11 13.333 17.549 7.807 80 HA ILE 11 HA ILE 11 11.556 16.118 5.963 81 HB ILE 11 HB ILE 11 11.636 15.983 8.979 82 HG12 ILE 11 1HG1 ILE 11 12.512 13.575 8.233 83 HG13 ILE 11 2HG1 ILE 11 13.086 14.493 6.845 84 HG21 ILE 11 1HG2 ILE 11 10.497 13.670 7.977 85 HG22 ILE 11 2HG2 ILE 11 9.645 15.018 8.727 86 HG23 ILE 11 3HG2 ILE 11 9.816 14.950 6.974 87 HD11 ILE 11 3HD1 ILE 11 14.298 14.209 9.358 88 HD12 ILE 11 1HD1 ILE 11 14.823 15.208 8.003 89 HD13 ILE 11 2HD1 ILE 11 13.764 15.885 9.240 90 H ALA 12 H ALA 12 9.723 17.046 5.366 91 HA ALA 12 HA ALA 12 8.624 19.215 7.017 92 HB1 ALA 12 1HB ALA 12 7.401 19.884 4.980 93 HB2 ALA 12 2HB ALA 12 9.151 19.882 4.758 94 HB3 ALA 12 3HB ALA 12 8.178 18.563 4.108 95 H LYS 13 H LYS 13 6.945 18.731 8.254 96 HA LYS 13 HA LYS 13 4.890 16.913 7.233 97 HB2 LYS 13 1HB LYS 13 4.810 15.598 9.205 98 HB3 LYS 13 2HB LYS 13 6.505 15.674 8.741 99 HG2 LYS 13 1HG LYS 13 6.770 17.542 10.398 100 HG3 LYS 13 2HG LYS 13 5.136 17.175 10.956 101 HD2 LYS 13 1HD LYS 13 6.714 16.049 12.380 102 HD3 LYS 13 2HD LYS 13 5.870 14.844 11.403 103 HE2 LYS 13 1HE LYS 13 7.743 14.603 9.950 104 HE3 LYS 13 2HE LYS 13 8.554 15.994 10.666 105 HZ1 LYS 13 3HZ LYS 13 8.614 13.281 11.482 106 HZ2 LYS 13 1HZ LYS 13 8.055 14.256 12.747 107 HZ3 LYS 13 2HZ LYS 13 9.551 14.580 12.027 108 H LYS 14 H LYS 14 2.813 17.264 8.069 109 HA LYS 14 HA LYS 14 2.470 19.903 9.296 110 HB2 LYS 14 1HB LYS 14 0.696 18.132 7.643 111 HB3 LYS 14 2HB LYS 14 0.005 19.417 8.625 112 HG2 LYS 14 1HG LYS 14 2.256 20.238 6.933 113 HG3 LYS 14 2HG LYS 14 0.818 19.702 6.059 114 HD2 LYS 14 1HD LYS 14 -0.344 21.276 7.890 115 HD3 LYS 14 2HD LYS 14 1.227 22.074 7.783 116 HE2 LYS 14 1HE LYS 14 0.400 23.144 6.008 117 HE3 LYS 14 2HE LYS 14 0.569 21.615 5.147 118 HZ1 LYS 14 3HZ LYS 14 -1.617 21.533 4.921 119 HZ2 LYS 14 1HZ LYS 14 -1.775 23.015 5.721 120 HZ3 LYS 14 2HZ LYS 14 -1.830 21.571 6.599 121 H ILE 15 H ILE 15 2.351 19.862 11.444 122 HA ILE 15 HA ILE 15 1.064 17.585 12.769 123 HB ILE 15 HB ILE 15 2.036 18.542 14.859 124 HG12 ILE 15 1HG1 ILE 15 3.923 20.215 13.316 125 HG13 ILE 15 2HG1 ILE 15 2.287 20.851 13.454 126 HG21 ILE 15 1HG2 ILE 15 3.135 16.781 13.445 127 HG22 ILE 15 2HG2 ILE 15 4.127 18.062 12.749 128 HG23 ILE 15 3HG2 ILE 15 4.227 17.708 14.474 129 HD11 ILE 15 3HD1 ILE 15 2.416 20.962 15.791 130 HD12 ILE 15 1HD1 ILE 15 3.851 19.938 15.843 131 HD13 ILE 15 2HD1 ILE 15 3.960 21.579 15.205 132 H ASN 16 H ASN 16 -0.234 18.125 14.752 133 HA ASN 16 HA ASN 16 -1.740 20.629 14.439 134 HB2 ASN 16 1HB ASN 16 -2.828 17.827 14.577 135 HB3 ASN 16 2HB ASN 16 -3.800 19.203 15.090 136 HD21 ASN 16 2HD2 ASN 16 -3.657 21.079 13.413 137 HD22 ASN 16 1HD2 ASN 16 -3.947 20.601 11.778 138 H SER 17 H SER 17 0.334 19.421 16.335 139 HA SER 17 HA SER 17 -1.058 20.216 18.786 140 HG SER 17 HG SER 17 -0.820 17.255 17.420 141 HB2 SER 17 1HB SER 17 0.810 17.864 18.862 142 HB3 SER 17 2HB SER 17 -0.437 18.328 20.019 143 H VAL 18 H VAL 18 0.079 21.652 19.911 144 HA VAL 18 HA VAL 18 2.645 22.513 19.033 145 HB VAL 18 HB VAL 18 2.572 24.112 20.840 146 HG11 VAL 18 1HG1 VAL 18 -0.118 23.696 19.545 147 HG12 VAL 18 2HG1 VAL 18 0.366 25.167 20.391 148 HG13 VAL 18 3HG1 VAL 18 1.222 24.666 18.932 149 HG21 VAL 18 3HG2 VAL 18 1.703 23.560 22.808 150 HG22 VAL 18 1HG2 VAL 18 0.094 23.606 22.088 151 HG23 VAL 18 2HG2 VAL 18 1.003 22.095 22.120 152 H ASP 19 H ASP 19 1.607 20.098 21.201 153 HA ASP 19 HA ASP 19 3.711 20.087 23.065 154 HB2 ASP 19 1HB ASP 19 1.506 18.773 23.122 155 HB3 ASP 19 2HB ASP 19 2.319 17.600 22.088 156 H ASP 20 H ASP 20 3.391 18.634 19.870 157 HA ASP 20 HA ASP 20 5.946 17.297 20.052 158 HB2 ASP 20 1HB ASP 20 3.808 17.526 17.968 159 HB3 ASP 20 2HB ASP 20 5.414 16.977 17.499 160 H ILE 21 H ILE 21 6.608 19.756 20.610 161 HA ILE 21 HA ILE 21 7.801 20.801 18.128 162 HB ILE 21 HB ILE 21 6.738 22.419 20.445 163 HG12 ILE 21 1HG1 ILE 21 5.917 22.334 17.533 164 HG13 ILE 21 2HG1 ILE 21 5.025 21.602 18.863 165 HG21 ILE 21 1HG2 ILE 21 8.248 23.297 17.989 166 HG22 ILE 21 2HG2 ILE 21 7.439 24.383 19.117 167 HG23 ILE 21 3HG2 ILE 21 8.797 23.399 19.661 168 HD11 ILE 21 3HD1 ILE 21 4.025 23.702 18.205 169 HD12 ILE 21 1HD1 ILE 21 4.682 23.818 19.838 170 HD13 ILE 21 2HD1 ILE 21 5.553 24.539 18.483 171 H ILE 22 H ILE 22 9.917 21.471 18.229 172 HA ILE 22 HA ILE 22 11.287 21.264 20.818 173 HB ILE 22 HB ILE 22 13.197 20.133 19.693 174 HG12 ILE 22 1HG1 ILE 22 11.266 19.524 17.459 175 HG13 ILE 22 2HG1 ILE 22 12.407 20.862 17.371 176 HG21 ILE 22 1HG2 ILE 22 12.354 18.002 20.022 177 HG22 ILE 22 2HG2 ILE 22 11.235 19.001 20.949 178 HG23 ILE 22 3HG2 ILE 22 10.776 18.413 19.351 179 HD11 ILE 22 3HD1 ILE 22 14.199 19.097 17.862 180 HD12 ILE 22 1HD1 ILE 22 12.956 17.925 17.425 181 HD13 ILE 22 2HD1 ILE 22 13.477 19.136 16.254 182 H ILE 23 H ILE 23 13.775 21.890 20.279 183 HA ILE 23 HA ILE 23 13.669 24.650 19.591 184 HB ILE 23 HB ILE 23 16.040 22.849 20.088 185 HG12 ILE 23 1HG1 ILE 23 16.002 24.439 22.210 186 HG13 ILE 23 2HG1 ILE 23 14.293 24.558 21.803 187 HG21 ILE 23 1HG2 ILE 23 17.232 25.044 20.475 188 HG22 ILE 23 2HG2 ILE 23 16.852 24.654 18.798 189 HG23 ILE 23 3HG2 ILE 23 15.865 25.822 19.677 190 HD11 ILE 23 3HD1 ILE 23 15.005 22.785 23.489 191 HD12 ILE 23 1HD1 ILE 23 13.927 22.291 22.184 192 HD13 ILE 23 2HD1 ILE 23 15.647 21.906 22.101 193 H LYS 24 H LYS 24 14.494 21.739 17.872 194 HA LYS 24 HA LYS 24 15.666 23.204 15.648 195 HB2 LYS 24 1HB LYS 24 15.230 20.269 16.188 196 HB3 LYS 24 2HB LYS 24 15.826 20.868 14.646 197 HG2 LYS 24 1HG LYS 24 17.827 20.498 15.603 198 HG3 LYS 24 2HG LYS 24 17.546 22.097 16.296 199 HD2 LYS 24 1HD LYS 24 16.937 21.226 18.368 200 HD3 LYS 24 2HD LYS 24 16.584 19.630 17.701 201 HE2 LYS 24 1HE LYS 24 19.363 20.749 17.627 202 HE3 LYS 24 2HE LYS 24 18.745 19.963 19.080 203 HZ1 LYS 24 3HZ LYS 24 18.107 18.252 17.045 204 HZ2 LYS 24 1HZ LYS 24 19.380 18.069 18.145 205 HZ3 LYS 24 2HZ LYS 24 19.658 18.795 16.643 206 H CYS 25 H CYS 25 12.634 22.815 16.646 207 HA CYS 25 HA CYS 25 11.431 22.062 14.109 208 HG CYS 25 HG CYS 25 7.694 21.895 15.859 209 HB2 CYS 25 1HB CYS 25 10.279 21.201 15.994 210 HB3 CYS 25 2HB CYS 25 10.307 22.756 16.818 211 H GLN 26 H GLN 26 10.396 23.420 12.718 212 HA GLN 26 HA GLN 26 10.444 26.291 13.372 213 HB2 GLN 26 1HB GLN 26 11.009 25.050 10.674 214 HB3 GLN 26 2HB GLN 26 10.988 26.771 11.035 215 HG2 GLN 26 1HG GLN 26 12.838 26.286 12.705 216 HG3 GLN 26 2HG GLN 26 12.962 24.703 11.938 217 HE21 GLN 26 2HE2 GLN 26 13.055 24.869 9.458 218 HE22 GLN 26 1HE2 GLN 26 14.157 26.043 8.834 219 H CYS 27 H CYS 27 8.530 27.254 13.254 220 HA CYS 27 HA CYS 27 6.516 26.233 11.390 221 HG CYS 27 HG CYS 27 3.449 25.384 13.896 222 HB2 CYS 27 1HB CYS 27 6.298 25.397 13.878 223 HB3 CYS 27 2HB CYS 27 5.636 27.005 14.143 224 H TRP 28 H TRP 28 4.676 27.763 11.134 225 HA TRP 28 HA TRP 28 5.715 30.464 10.942 226 HD1 TRP 28 HD1 TRP 28 5.101 27.426 8.901 227 HE1 TRP 28 HE1 TRP 28 6.258 27.607 6.609 228 HE3 TRP 28 HE3 TRP 28 4.302 32.390 7.978 229 HZ2 TRP 28 HZ2 TRP 28 6.765 29.592 4.667 230 HZ3 TRP 28 HZ3 TRP 28 5.155 33.352 5.880 231 HH2 TRP 28 HH2 TRP 28 6.362 31.980 4.260 232 HB2 TRP 28 1HB TRP 28 3.144 29.201 9.976 233 HB3 TRP 28 2HB TRP 28 3.555 30.895 9.728 234 H VAL 29 H VAL 29 5.083 32.188 12.120 235 HA VAL 29 HA VAL 29 3.148 31.684 14.280 236 HB VAL 29 HB VAL 29 5.315 33.786 14.146 237 HG11 VAL 29 1HG1 VAL 29 4.783 34.154 16.516 238 HG12 VAL 29 2HG1 VAL 29 3.409 34.513 15.468 239 HG13 VAL 29 3HG1 VAL 29 3.450 33.007 16.386 240 HG21 VAL 29 3HG2 VAL 29 5.215 31.329 15.886 241 HG22 VAL 29 1HG2 VAL 29 6.099 31.413 14.363 242 HG23 VAL 29 2HG2 VAL 29 6.549 32.468 15.702 243 H GLN 30 H GLN 30 1.522 33.163 14.723 244 HA GLN 30 HA GLN 30 0.681 34.758 12.462 245 HB2 GLN 30 1HB GLN 30 -0.863 33.303 13.842 246 HB3 GLN 30 2HB GLN 30 -0.698 34.487 15.132 247 HG2 GLN 30 1HG GLN 30 -1.509 36.207 13.452 248 HG3 GLN 30 2HG GLN 30 -1.957 34.839 12.433 249 HE21 GLN 30 2HE2 GLN 30 -2.267 35.805 15.838 250 HE22 GLN 30 1HE2 GLN 30 -3.931 35.364 15.987 251 H LYS 31 H LYS 31 1.332 36.780 12.207 252 HA LYS 31 HA LYS 31 1.399 38.565 14.518 253 HB2 LYS 31 1HB LYS 31 3.739 37.488 13.583 254 HB3 LYS 31 2HB LYS 31 3.646 38.990 12.673 255 HG2 LYS 31 1HG LYS 31 4.915 39.311 14.703 256 HG3 LYS 31 2HG LYS 31 3.414 40.237 14.772 257 HD2 LYS 31 1HD LYS 31 2.488 38.868 16.376 258 HD3 LYS 31 2HD LYS 31 3.476 37.480 15.914 259 HE2 LYS 31 1HE LYS 31 4.423 38.108 17.927 260 HE3 LYS 31 2HE LYS 31 5.454 38.932 16.759 261 HZ1 LYS 31 3HZ LYS 31 3.206 40.155 18.267 262 HZ2 LYS 31 1HZ LYS 31 4.156 40.952 17.115 263 HZ3 LYS 31 2HZ LYS 31 4.854 40.408 18.556 264 H ASN 32 H ASN 32 0.714 40.595 14.076 265 HA ASN 32 HA ASN 32 -0.362 42.252 12.941 266 HB2 ASN 32 1HB ASN 32 1.495 41.676 10.641 267 HB3 ASN 32 2HB ASN 32 0.840 43.227 11.158 268 HD21 ASN 32 2HD2 ASN 32 1.530 43.959 13.338 269 HD22 ASN 32 1HD2 ASN 32 3.165 43.652 13.804 270 H ASP 33 H ASP 33 -1.852 40.060 12.825 271 HA ASP 33 HA ASP 33 -3.457 38.924 11.671 272 HB2 ASP 33 1HB ASP 33 -4.069 41.400 11.346 273 HB3 ASP 33 2HB ASP 33 -3.432 41.214 9.714 274 H GLU 34 H GLU 34 -0.643 38.511 10.889 275 HA GLU 34 HA GLU 34 -1.175 37.258 8.297 276 HB2 GLU 34 1HB GLU 34 1.029 39.194 8.919 277 HB3 GLU 34 2HB GLU 34 1.278 37.931 7.721 278 HG2 GLU 34 1HG GLU 34 -1.106 39.721 7.549 279 HG3 GLU 34 2HG GLU 34 0.466 40.264 6.967 280 H GLU 35 H GLU 35 0.973 35.920 7.729 281 HA GLU 35 HA GLU 35 1.819 34.528 10.181 282 HB2 GLU 35 1HB GLU 35 1.781 32.415 8.727 283 HB3 GLU 35 2HB GLU 35 0.238 33.042 9.292 284 HG2 GLU 35 1HG GLU 35 1.207 33.964 6.649 285 HG3 GLU 35 2HG GLU 35 0.641 32.300 6.783 286 H ARG 36 H ARG 36 3.948 34.241 10.367 287 HA ARG 36 HA ARG 36 5.610 34.381 7.946 288 HE ARG 36 HE ARG 36 8.465 38.085 8.530 289 HB2 ARG 36 1HB ARG 36 6.136 35.800 10.563 290 HB3 ARG 36 2HB ARG 36 7.278 35.699 9.231 291 HG2 ARG 36 1HG ARG 36 5.552 36.838 7.803 292 HG3 ARG 36 2HG ARG 36 4.632 37.121 9.282 293 HD2 ARG 36 1HD ARG 36 5.834 39.081 9.084 294 HD3 ARG 36 2HD ARG 36 6.859 38.131 10.160 295 HH11 ARG 36 1HH1 ARG 36 5.439 39.073 7.122 296 HH12 ARG 36 2HH1 ARG 36 6.135 39.478 5.588 297 HH21 ARG 36 1HH2 ARG 36 9.394 38.615 6.515 298 HH22 ARG 36 2HH2 ARG 36 8.385 39.217 5.244 299 H LEU 37 H LEU 37 7.490 33.150 7.969 300 HA LEU 37 HA LEU 37 7.421 30.791 9.518 301 HG LEU 37 HG LEU 37 9.781 29.581 9.397 302 HB2 LEU 37 1HB LEU 37 8.420 31.059 7.234 303 HB3 LEU 37 2HB LEU 37 9.778 31.884 7.996 304 HD11 LEU 37 1HD1 LEU 37 9.481 27.746 7.742 305 HD12 LEU 37 2HD1 LEU 37 8.720 28.911 6.659 306 HD13 LEU 37 3HD1 LEU 37 7.980 28.541 8.216 307 HD21 LEU 37 3HD2 LEU 37 11.127 29.447 6.766 308 HD22 LEU 37 1HD2 LEU 37 11.777 29.221 8.390 309 HD23 LEU 37 2HD2 LEU 37 11.485 30.849 7.776 310 H ALA 38 H ALA 38 8.202 30.353 11.472 311 HA ALA 38 HA ALA 38 10.312 32.079 12.577 312 HB1 ALA 38 1HB ALA 38 9.209 32.445 14.571 313 HB2 ALA 38 2HB ALA 38 7.889 32.532 13.404 314 HB3 ALA 38 3HB ALA 38 8.132 31.065 14.351 315 H GLU 39 H GLU 39 11.875 31.058 13.738 316 HA GLU 39 HA GLU 39 11.743 28.130 13.789 317 HB2 GLU 39 1HB GLU 39 13.676 28.945 12.645 318 HB3 GLU 39 2HB GLU 39 14.052 30.064 13.948 319 HG2 GLU 39 1HG GLU 39 14.713 28.304 15.389 320 HG3 GLU 39 2HG GLU 39 14.071 27.081 14.294 321 H ILE 40 H ILE 40 11.490 27.058 15.633 322 HA ILE 40 HA ILE 40 11.035 28.361 18.086 323 HB ILE 40 HB ILE 40 11.667 25.444 17.623 324 HG12 ILE 40 1HG1 ILE 40 9.734 26.267 16.308 325 HG13 ILE 40 2HG1 ILE 40 9.258 25.109 17.545 326 HG21 ILE 40 1HG2 ILE 40 10.029 25.501 19.764 327 HG22 ILE 40 2HG2 ILE 40 11.788 25.483 19.872 328 HG23 ILE 40 3HG2 ILE 40 10.913 27.009 20.000 329 HD11 ILE 40 3HD1 ILE 40 9.137 27.781 18.582 330 HD12 ILE 40 1HD1 ILE 40 8.204 27.649 17.092 331 HD13 ILE 40 2HD1 ILE 40 7.864 26.569 18.445 332 H LEU 41 H LEU 41 12.270 28.610 19.909 333 HA LEU 41 HA LEU 41 15.142 28.026 19.608 334 HG LEU 41 HG LEU 41 14.290 30.748 18.625 335 HB2 LEU 41 1HB LEU 41 13.706 30.298 20.946 336 HB3 LEU 41 2HB LEU 41 15.387 29.915 21.310 337 HD11 LEU 41 1HD1 LEU 41 15.833 32.710 19.057 338 HD12 LEU 41 2HD1 LEU 41 15.883 32.174 20.736 339 HD13 LEU 41 3HD1 LEU 41 14.349 32.652 20.009 340 HD21 LEU 41 3HD2 LEU 41 16.782 29.461 19.423 341 HD22 LEU 41 1HD2 LEU 41 17.022 30.967 18.536 342 HD23 LEU 41 2HD2 LEU 41 16.071 29.664 17.822 343 H SER 42 H SER 42 12.523 28.323 21.991 344 HA SER 42 HA SER 42 13.604 26.058 23.451 345 HG SER 42 HG SER 42 15.264 27.533 25.879 346 HB2 SER 42 1HB SER 42 14.296 28.623 24.280 347 HB3 SER 42 2HB SER 42 12.953 28.182 25.335 348 H ILE 43 H ILE 43 12.123 25.611 25.425 349 HA ILE 43 HA ILE 43 9.336 26.256 24.728 350 HB ILE 43 HB ILE 43 10.314 23.552 25.650 351 HG12 ILE 43 1HG1 ILE 43 9.215 24.320 22.942 352 HG13 ILE 43 2HG1 ILE 43 10.935 24.184 23.290 353 HG21 ILE 43 1HG2 ILE 43 7.691 24.795 25.494 354 HG22 ILE 43 2HG2 ILE 43 7.782 23.277 24.602 355 HG23 ILE 43 3HG2 ILE 43 8.198 23.319 26.316 356 HD11 ILE 43 3HD1 ILE 43 10.660 22.096 22.537 357 HD12 ILE 43 1HD1 ILE 43 10.058 21.787 24.166 358 HD13 ILE 43 2HD1 ILE 43 8.924 22.099 22.850 359 H ASN 44 H ASN 44 7.915 26.521 26.424 360 HA ASN 44 HA ASN 44 8.972 26.213 29.144 361 HB2 ASN 44 1HB ASN 44 9.340 28.539 28.643 362 HB3 ASN 44 2HB ASN 44 7.708 28.711 28.004 363 HD21 ASN 44 2HD2 ASN 44 6.768 30.101 29.341 364 HD22 ASN 44 1HD2 ASN 44 6.666 29.924 31.057 365 H THR 45 H THR 45 7.648 24.580 29.755 366 HA THR 45 HA THR 45 4.765 24.850 29.296 367 HB THR 45 HB THR 45 4.620 22.496 30.052 368 HG1 THR 45 HG1 THR 45 6.271 21.725 31.113 369 HG21 THR 45 3HG2 THR 45 5.057 21.744 27.974 370 HG22 THR 45 1HG2 THR 45 6.734 22.285 28.024 371 HG23 THR 45 2HG2 THR 45 5.450 23.428 27.630 372 H ARG 46 H ARG 46 5.068 26.674 30.984 373 HA ARG 46 HA ARG 46 4.681 25.522 33.670 374 HE ARG 46 HE ARG 46 7.289 27.827 36.443 375 HB2 ARG 46 1HB ARG 46 6.118 27.980 32.763 376 HB3 ARG 46 2HB ARG 46 5.335 27.991 34.338 377 HG2 ARG 46 1HG ARG 46 6.669 26.153 35.088 378 HG3 ARG 46 2HG ARG 46 7.342 25.924 33.473 379 HD2 ARG 46 1HD ARG 46 9.029 27.097 34.516 380 HD3 ARG 46 2HD ARG 46 8.117 28.395 33.747 381 HH11 ARG 46 1HH1 ARG 46 9.495 29.622 34.435 382 HH12 ARG 46 2HH1 ARG 46 9.772 30.857 35.618 383 HH21 ARG 46 1HH2 ARG 46 7.645 29.446 38.009 384 HH22 ARG 46 2HH2 ARG 46 8.720 30.756 37.651 385 H LYS 47 H LYS 47 2.944 26.538 31.229 386 HA LYS 47 HA LYS 47 0.900 27.732 32.952 387 HB2 LYS 47 1HB LYS 47 2.337 29.367 31.376 388 HB3 LYS 47 2HB LYS 47 1.117 28.860 30.215 389 HG2 LYS 47 1HG LYS 47 -0.583 29.903 31.333 390 HG3 LYS 47 2HG LYS 47 0.229 29.790 32.897 391 HD2 LYS 47 1HD LYS 47 1.864 31.484 32.113 392 HD3 LYS 47 2HD LYS 47 0.930 31.648 30.624 393 HE2 LYS 47 1HE LYS 47 0.127 33.391 31.922 394 HE3 LYS 47 2HE LYS 47 -1.059 32.120 32.210 395 HZ1 LYS 47 3HZ LYS 47 1.255 32.443 34.008 396 HZ2 LYS 47 1HZ LYS 47 -0.243 31.721 34.321 397 HZ3 LYS 47 2HZ LYS 47 -0.123 33.404 34.204 398 H ALA 48 H ALA 48 -1.210 27.972 31.527 399 HA ALA 48 HA ALA 48 -1.481 25.689 29.712 400 HB1 ALA 48 1HB ALA 48 -2.227 24.604 31.604 401 HB2 ALA 48 2HB ALA 48 -2.930 26.067 32.296 402 HB3 ALA 48 3HB ALA 48 -3.731 25.255 30.951 403 HA PRO 49 HA PRO 49 -1.781 25.453 27.869 404 HB2 PRO 49 1HB PRO 49 -1.121 26.701 25.550 405 HB3 PRO 49 2HB PRO 49 -2.663 25.869 25.788 406 HG2 PRO 49 1HG PRO 49 -2.041 28.792 25.964 407 HG3 PRO 49 2HG PRO 49 -3.430 27.987 25.212 408 HD2 PRO 49 1HD PRO 49 -3.563 29.138 27.659 409 HD3 PRO 49 2HD PRO 49 -4.517 27.705 27.225 410 HA PRO 50 HA PRO 50 2.297 26.788 28.831 411 HB2 PRO 50 1HB PRO 50 3.798 25.406 27.040 412 HB3 PRO 50 2HB PRO 50 2.996 24.639 28.416 413 HG2 PRO 50 1HG PRO 50 2.132 24.771 25.552 414 HG3 PRO 50 2HG PRO 50 2.086 23.397 26.672 415 HD2 PRO 50 1HD PRO 50 -0.102 24.888 26.104 416 HD3 PRO 50 2HD PRO 50 0.152 24.130 27.689 417 H LYS 51 H LYS 51 4.440 27.493 27.652 418 HA LYS 51 HA LYS 51 3.726 29.311 25.445 419 HB2 LYS 51 1HB LYS 51 5.417 29.842 27.883 420 HB3 LYS 51 2HB LYS 51 5.507 30.846 26.442 421 HG2 LYS 51 1HG LYS 51 3.171 31.435 26.666 422 HG3 LYS 51 2HG LYS 51 3.013 30.363 28.060 423 HD2 LYS 51 1HD LYS 51 4.191 31.769 29.444 424 HD3 LYS 51 2HD LYS 51 5.100 32.490 28.115 425 HE2 LYS 51 1HE LYS 51 3.079 33.668 27.384 426 HE3 LYS 51 2HE LYS 51 2.181 32.953 28.722 427 HZ1 LYS 51 3HZ LYS 51 2.782 34.749 29.861 428 HZ2 LYS 51 1HZ LYS 51 3.932 35.216 28.712 429 HZ3 LYS 51 2HZ LYS 51 4.343 34.101 29.915 430 H PHE 52 H PHE 52 5.460 29.870 24.000 431 HA PHE 52 HA PHE 52 7.804 28.115 24.100 432 HD1 PHE 52 HD1 PHE 52 4.072 27.737 22.979 433 HD2 PHE 52 HD2 PHE 52 7.525 25.292 22.512 434 HE1 PHE 52 HE1 PHE 52 2.761 25.764 23.645 435 HE2 PHE 52 HE2 PHE 52 6.220 23.315 23.176 436 HZ PHE 52 HZ PHE 52 3.835 23.549 23.743 437 HB2 PHE 52 1HB PHE 52 6.068 28.456 21.646 438 HB3 PHE 52 2HB PHE 52 7.550 27.511 21.746 439 H TYR 53 H TYR 53 9.618 28.878 22.946 440 HA TYR 53 HA TYR 53 9.551 31.771 22.483 441 HD1 TYR 53 HD2 TYR 53 10.263 33.185 23.814 442 HD2 TYR 53 HD1 TYR 53 13.956 31.551 22.474 443 HE1 TYR 53 HE2 TYR 53 11.297 35.412 23.965 444 HE2 TYR 53 HE1 TYR 53 15.000 33.773 22.622 445 HH TYR 53 HH TYR 53 13.905 36.209 24.311 446 HB2 TYR 53 1HB TYR 53 11.238 30.484 24.045 447 HB3 TYR 53 2HB TYR 53 12.089 30.188 22.533 448 H VAL 54 H VAL 54 9.323 32.422 20.457 449 HA VAL 54 HA VAL 54 10.392 30.734 18.293 450 HB VAL 54 HB VAL 54 8.831 32.059 16.816 451 HG11 VAL 54 1HG1 VAL 54 8.421 29.750 17.863 452 HG12 VAL 54 2HG1 VAL 54 7.308 30.593 18.943 453 HG13 VAL 54 3HG1 VAL 54 7.037 30.619 17.200 454 HG21 VAL 54 3HG2 VAL 54 8.487 33.970 18.282 455 HG22 VAL 54 1HG2 VAL 54 6.948 33.192 17.912 456 HG23 VAL 54 2HG2 VAL 54 7.713 32.933 19.480 457 H HIS 55 H HIS 55 11.464 31.735 16.531 458 HA HIS 55 HA HIS 55 12.358 34.495 16.966 459 HD1 HIS 55 HD1 HIS 55 14.408 35.748 15.901 460 HD2 HIS 55 HD2 HIS 55 16.317 32.122 15.215 461 HE1 HIS 55 HE1 HIS 55 16.299 36.271 14.327 462 HB2 HIS 55 1HB HIS 55 14.236 33.417 17.805 463 HB3 HIS 55 2HB HIS 55 14.064 32.047 16.711 464 H TYR 56 H TYR 56 11.598 35.539 15.244 465 HA TYR 56 HA TYR 56 10.902 34.428 12.793 466 HD1 TYR 56 HD1 TYR 56 8.668 35.988 11.797 467 HD2 TYR 56 HD2 TYR 56 10.300 37.469 15.437 468 HE1 TYR 56 HE1 TYR 56 6.396 36.240 12.707 469 HE2 TYR 56 HE2 TYR 56 8.033 37.724 16.357 470 HH TYR 56 HH TYR 56 5.371 36.285 15.111 471 HB2 TYR 56 1HB TYR 56 11.680 37.263 13.493 472 HB3 TYR 56 2HB TYR 56 11.002 36.793 11.938 473 H VAL 57 H VAL 57 12.244 33.333 11.515 474 HA VAL 57 HA VAL 57 15.029 33.641 11.402 475 HB VAL 57 HB VAL 57 13.308 32.531 9.187 476 HG11 VAL 57 1HG1 VAL 57 15.469 30.978 9.216 477 HG12 VAL 57 2HG1 VAL 57 15.399 32.482 8.296 478 HG13 VAL 57 3HG1 VAL 57 16.190 32.447 9.873 479 HG21 VAL 57 3HG2 VAL 57 13.850 31.517 11.895 480 HG22 VAL 57 1HG2 VAL 57 12.530 31.148 10.786 481 HG23 VAL 57 2HG2 VAL 57 14.093 30.356 10.590 482 H ASN 58 H ASN 58 12.489 34.822 9.212 483 HA ASN 58 HA ASN 58 14.164 36.064 7.348 484 HB2 ASN 58 1HB ASN 58 11.551 35.633 7.386 485 HB3 ASN 58 2HB ASN 58 11.516 37.284 7.998 486 HD21 ASN 58 2HD2 ASN 58 13.367 35.545 5.515 487 HD22 ASN 58 1HD2 ASN 58 13.067 36.687 4.253 488 H TYR 59 H TYR 59 13.282 36.979 10.545 489 HA TYR 59 HA TYR 59 14.397 39.671 10.126 490 HD1 TYR 59 HD1 TYR 59 13.025 41.511 9.932 491 HD2 TYR 59 HD2 TYR 59 10.336 38.637 11.547 492 HE1 TYR 59 HE1 TYR 59 11.205 42.463 8.579 493 HE2 TYR 59 HE2 TYR 59 8.509 39.579 10.198 494 HH TYR 59 HH TYR 59 8.901 41.450 7.621 495 HB2 TYR 59 1HB TYR 59 12.525 38.611 12.246 496 HB3 TYR 59 2HB TYR 59 13.285 40.196 12.333 497 H ASN 60 H ASN 60 15.207 40.436 12.523 498 HA ASN 60 HA ASN 60 17.535 38.782 12.984 499 HB2 ASN 60 1HB ASN 60 16.672 41.525 13.804 500 HB3 ASN 60 2HB ASN 60 17.934 40.721 14.732 501 HD21 ASN 60 2HD2 ASN 60 17.022 41.833 11.531 502 HD22 ASN 60 1HD2 ASN 60 18.632 41.994 10.925 503 H LYS 61 H LYS 61 18.247 38.597 15.378 504 HA LYS 61 HA LYS 61 16.313 36.970 16.701 505 HB2 LYS 61 1HB LYS 61 18.971 37.982 17.727 506 HB3 LYS 61 2HB LYS 61 18.034 36.658 18.407 507 HG2 LYS 61 1HG LYS 61 18.322 35.407 16.308 508 HG3 LYS 61 2HG LYS 61 19.320 36.722 15.684 509 HD2 LYS 61 1HD LYS 61 20.024 35.480 18.305 510 HD3 LYS 61 2HD LYS 61 20.416 34.620 16.814 511 HE2 LYS 61 1HE LYS 61 21.559 36.708 16.024 512 HE3 LYS 61 2HE LYS 61 21.318 37.374 17.638 513 HZ1 LYS 61 3HZ LYS 61 22.549 34.753 17.553 514 HZ2 LYS 61 1HZ LYS 61 22.938 36.104 18.495 515 HZ3 LYS 61 2HZ LYS 61 23.483 36.002 16.897 516 H ARG 62 H ARG 62 16.803 40.279 16.632 517 HA ARG 62 HA ARG 62 16.101 40.864 19.357 518 HE ARG 62 HE ARG 62 17.524 45.440 17.353 519 HB2 ARG 62 1HB ARG 62 15.913 43.209 18.528 520 HB3 ARG 62 2HB ARG 62 17.463 42.455 18.179 521 HG2 ARG 62 1HG ARG 62 17.087 42.395 15.928 522 HG3 ARG 62 2HG ARG 62 15.333 42.321 16.112 523 HD2 ARG 62 1HD ARG 62 15.866 44.467 15.230 524 HD3 ARG 62 2HD ARG 62 15.408 44.690 16.918 525 HH11 ARG 62 1HH1 ARG 62 17.513 43.784 14.291 526 HH12 ARG 62 2HH1 ARG 62 19.137 44.237 13.892 527 HH21 ARG 62 1HH2 ARG 62 19.663 46.043 16.839 528 HH22 ARG 62 2HH2 ARG 62 20.359 45.521 15.343 529 H LEU 63 H LEU 63 14.362 39.649 16.850 530 HA LEU 63 HA LEU 63 11.892 41.068 17.562 531 HG LEU 63 HG LEU 63 10.578 41.687 15.690 532 HB2 LEU 63 1HB LEU 63 12.937 39.907 15.132 533 HB3 LEU 63 2HB LEU 63 11.337 39.270 15.505 534 HD11 LEU 63 1HD1 LEU 63 11.914 43.358 14.565 535 HD12 LEU 63 2HD1 LEU 63 13.179 42.173 14.245 536 HD13 LEU 63 3HD1 LEU 63 12.828 42.662 15.902 537 HD21 LEU 63 3HD2 LEU 63 9.761 41.383 13.644 538 HD22 LEU 63 1HD2 LEU 63 10.791 39.956 13.528 539 HD23 LEU 63 2HD2 LEU 63 11.361 41.507 12.912 540 H ASP 64 H ASP 64 13.531 38.066 17.891 541 HA ASP 64 HA ASP 64 11.497 36.226 18.172 542 HB2 ASP 64 1HB ASP 64 13.008 34.892 19.427 543 HB3 ASP 64 2HB ASP 64 14.001 35.821 18.308 544 H GLU 65 H GLU 65 10.520 35.308 20.112 545 HA GLU 65 HA GLU 65 10.478 36.614 22.597 546 HB2 GLU 65 1HB GLU 65 8.222 37.631 22.499 547 HB3 GLU 65 2HB GLU 65 9.378 38.434 21.446 548 HG2 GLU 65 1HG GLU 65 8.347 37.729 19.537 549 HG3 GLU 65 2HG GLU 65 7.690 36.280 20.295 550 H TRP 66 H TRP 66 8.102 36.062 23.652 551 HA TRP 66 HA TRP 66 7.878 33.164 23.278 552 HD1 TRP 66 HD1 TRP 66 9.379 36.022 25.777 553 HE1 TRP 66 HE1 TRP 66 11.532 35.103 26.846 554 HE3 TRP 66 HE3 TRP 66 8.160 31.059 25.921 555 HZ2 TRP 66 HZ2 TRP 66 12.576 32.605 27.644 556 HZ3 TRP 66 HZ3 TRP 66 9.792 29.470 26.852 557 HH2 TRP 66 HH2 TRP 66 11.954 30.229 27.695 558 HB2 TRP 66 1HB TRP 66 6.899 34.895 25.559 559 HB3 TRP 66 2HB TRP 66 6.843 33.135 25.499 560 H ILE 67 H ILE 67 6.101 32.249 22.462 561 HA ILE 67 HA ILE 67 3.651 33.873 22.275 562 HB ILE 67 HB ILE 67 3.182 32.831 20.085 563 HG12 ILE 67 1HG1 ILE 67 6.056 31.945 20.009 564 HG13 ILE 67 2HG1 ILE 67 4.794 30.872 20.605 565 HG21 ILE 67 1HG2 ILE 67 4.463 34.328 18.844 566 HG22 ILE 67 2HG2 ILE 67 4.432 35.048 20.453 567 HG23 ILE 67 3HG2 ILE 67 5.859 34.165 19.909 568 HD11 ILE 67 3HD1 ILE 67 3.616 31.291 18.396 569 HD12 ILE 67 1HD1 ILE 67 5.137 31.997 17.850 570 HD13 ILE 67 2HD1 ILE 67 5.080 30.308 18.356 571 H THR 68 H THR 68 1.668 32.639 22.092 572 HA THR 68 HA THR 68 1.857 30.095 23.545 573 HB THR 68 HB THR 68 -0.756 30.579 23.669 574 HG1 THR 68 HG1 THR 68 -1.243 32.708 23.543 575 HG21 THR 68 3HG2 THR 68 -0.404 31.601 25.832 576 HG22 THR 68 1HG2 THR 68 1.234 32.072 25.381 577 HG23 THR 68 2HG2 THR 68 0.827 30.366 25.568 578 H THR 69 H THR 69 -0.131 28.619 23.025 579 HA THR 69 HA THR 69 0.223 27.549 20.487 580 HB THR 69 HB THR 69 -1.691 26.149 20.906 581 HG1 THR 69 HG1 THR 69 -3.297 26.730 22.217 582 HG21 THR 69 3HG2 THR 69 0.410 25.875 22.302 583 HG22 THR 69 1HG2 THR 69 -1.056 25.148 22.958 584 HG23 THR 69 2HG2 THR 69 -0.464 26.678 23.606 585 H ASP 70 H ASP 70 -2.244 29.798 21.660 586 HA ASP 70 HA ASP 70 -3.778 29.848 19.283 587 HB2 ASP 70 1HB ASP 70 -3.527 31.751 21.607 588 HB3 ASP 70 2HB ASP 70 -4.596 32.077 20.246 589 H ARG 71 H ARG 71 -0.719 31.084 20.000 590 HA ARG 71 HA ARG 71 -0.893 33.175 17.955 591 HE ARG 71 HE ARG 71 0.616 36.321 22.466 592 HB2 ARG 71 1HB ARG 71 1.211 32.534 20.023 593 HB3 ARG 71 2HB ARG 71 1.431 33.747 18.769 594 HG2 ARG 71 1HG ARG 71 -0.850 34.655 19.736 595 HG3 ARG 71 2HG ARG 71 -0.302 33.795 21.176 596 HD2 ARG 71 1HD ARG 71 1.845 35.030 21.032 597 HD3 ARG 71 2HD ARG 71 1.185 35.950 19.680 598 HH11 ARG 71 1HH1 ARG 71 -0.604 36.732 19.232 599 HH12 ARG 71 2HH1 ARG 71 -1.672 38.027 19.659 600 HH21 ARG 71 1HH2 ARG 71 -0.786 38.026 23.042 601 HH22 ARG 71 2HH2 ARG 71 -1.774 38.763 21.826 602 H ILE 72 H ILE 72 -0.283 29.968 18.075 603 HA ILE 72 HA ILE 72 1.900 30.023 16.119 604 HB ILE 72 HB ILE 72 0.661 27.676 17.561 605 HG12 ILE 72 1HG1 ILE 72 3.455 28.711 17.944 606 HG13 ILE 72 2HG1 ILE 72 2.112 29.425 18.830 607 HG21 ILE 72 1HG2 ILE 72 1.504 26.576 15.781 608 HG22 ILE 72 2HG2 ILE 72 2.600 27.889 15.354 609 HG23 ILE 72 3HG2 ILE 72 3.026 26.770 16.649 610 HD11 ILE 72 3HD1 ILE 72 3.436 26.826 19.166 611 HD12 ILE 72 1HD1 ILE 72 2.653 27.870 20.351 612 HD13 ILE 72 2HD1 ILE 72 1.680 26.816 19.325 613 H ASN 73 H ASN 73 1.705 29.154 14.072 614 HA ASN 73 HA ASN 73 -1.049 28.867 13.113 615 HB2 ASN 73 1HB ASN 73 0.469 30.539 12.029 616 HB3 ASN 73 2HB ASN 73 1.480 29.202 11.488 617 HD21 ASN 73 2HD2 ASN 73 0.673 30.673 9.532 618 HD22 ASN 73 1HD2 ASN 73 -0.648 29.979 8.661 619 H LEU 74 H LEU 74 -1.715 26.812 13.247 620 HA LEU 74 HA LEU 74 0.133 24.639 12.625 621 HG LEU 74 HG LEU 74 -0.655 25.116 15.349 622 HB2 LEU 74 1HB LEU 74 -2.623 24.728 13.820 623 HB3 LEU 74 2HB LEU 74 -1.851 23.218 13.339 624 HD11 LEU 74 1HD1 LEU 74 -2.038 24.380 16.916 625 HD12 LEU 74 2HD1 LEU 74 -1.680 22.704 16.500 626 HD13 LEU 74 3HD1 LEU 74 -2.974 23.562 15.665 627 HD21 LEU 74 3HD2 LEU 74 0.709 23.215 15.955 628 HD22 LEU 74 1HD2 LEU 74 0.874 23.537 14.229 629 HD23 LEU 74 2HD2 LEU 74 -0.133 22.199 14.783 630 H ASP 75 H ASP 75 -1.153 26.539 10.637 631 HA ASP 75 HA ASP 75 -2.671 24.624 9.018 632 HB2 ASP 75 1HB ASP 75 -3.517 26.990 9.464 633 HB3 ASP 75 2HB ASP 75 -2.228 27.543 8.398 634 H LYS 76 H LYS 76 0.401 26.120 9.269 635 HA LYS 76 HA LYS 76 1.090 25.450 6.500 636 HB2 LYS 76 1HB LYS 76 1.915 27.498 8.341 637 HB3 LYS 76 2HB LYS 76 3.318 26.572 7.826 638 HG2 LYS 76 1HG LYS 76 3.350 27.631 5.886 639 HG3 LYS 76 2HG LYS 76 1.687 27.142 5.553 640 HD2 LYS 76 1HD LYS 76 0.880 29.059 6.868 641 HD3 LYS 76 2HD LYS 76 2.551 29.555 7.148 642 HE2 LYS 76 1HE LYS 76 2.517 29.319 4.444 643 HE3 LYS 76 2HE LYS 76 0.862 29.838 4.757 644 HZ1 LYS 76 3HZ LYS 76 3.286 31.341 4.893 645 HZ2 LYS 76 1HZ LYS 76 2.394 31.467 6.324 646 HZ3 LYS 76 2HZ LYS 76 1.685 31.885 4.847 647 H GLU 77 H GLU 77 2.958 24.193 6.023 648 HA GLU 77 HA GLU 77 3.219 21.868 7.579 649 HB2 GLU 77 1HB GLU 77 5.217 22.851 5.542 650 HB3 GLU 77 2HB GLU 77 4.914 21.189 6.029 651 HG2 GLU 77 1HG GLU 77 2.630 21.388 5.073 652 HG3 GLU 77 2HG GLU 77 3.073 22.984 4.468 653 H VAL 78 H VAL 78 4.808 21.144 8.963 654 HA VAL 78 HA VAL 78 6.464 23.248 10.159 655 HB VAL 78 HB VAL 78 5.654 20.536 11.213 656 HG11 VAL 78 1HG1 VAL 78 7.831 20.951 12.059 657 HG12 VAL 78 2HG1 VAL 78 7.455 22.644 12.385 658 HG13 VAL 78 3HG1 VAL 78 6.702 21.371 13.346 659 HG21 VAL 78 3HG2 VAL 78 3.823 21.621 11.867 660 HG22 VAL 78 1HG2 VAL 78 4.851 22.556 12.954 661 HG23 VAL 78 2HG2 VAL 78 4.480 23.172 11.343 662 H LEU 79 H LEU 79 8.658 23.097 10.327 663 HA LEU 79 HA LEU 79 9.926 21.007 8.710 664 HG LEU 79 HG LEU 79 11.786 23.717 7.155 665 HB2 LEU 79 1HB LEU 79 10.374 23.819 9.100 666 HB3 LEU 79 2HB LEU 79 11.837 22.912 9.482 667 HD11 LEU 79 1HD1 LEU 79 12.545 21.706 6.157 668 HD12 LEU 79 2HD1 LEU 79 11.572 20.717 7.245 669 HD13 LEU 79 3HD1 LEU 79 12.959 21.611 7.869 670 HD21 LEU 79 3HD2 LEU 79 9.813 21.727 6.293 671 HD22 LEU 79 1HD2 LEU 79 10.084 23.378 5.735 672 HD23 LEU 79 2HD2 LEU 79 9.140 23.086 7.196 673 H TYR 80 H TYR 80 11.172 19.482 9.591 674 HA TYR 80 HA TYR 80 12.033 19.833 12.387 675 HD1 TYR 80 HD2 TYR 80 11.000 18.569 14.560 676 HD2 TYR 80 HD1 TYR 80 8.582 17.959 11.112 677 HE1 TYR 80 HE2 TYR 80 8.990 19.056 15.891 678 HE2 TYR 80 HE1 TYR 80 6.565 18.446 12.433 679 HH TYR 80 HH TYR 80 6.526 19.982 15.229 680 HB2 TYR 80 1HB TYR 80 10.861 17.409 11.035 681 HB3 TYR 80 2HB TYR 80 11.806 17.281 12.514 682 HA PRO 81 HA PRO 81 16.127 18.868 11.139 683 HB2 PRO 81 1HB PRO 81 17.047 17.488 13.288 684 HB3 PRO 81 2HB PRO 81 16.759 19.231 13.317 685 HG2 PRO 81 1HG PRO 81 15.028 17.008 14.328 686 HG3 PRO 81 2HG PRO 81 15.404 18.567 15.086 687 HD2 PRO 81 1HD PRO 81 13.081 18.108 13.773 688 HD3 PRO 81 2HD PRO 81 13.859 19.703 13.808 689 H LYS 82 H LYS 82 17.655 17.093 10.723 690 HA LYS 82 HA LYS 82 16.236 14.572 10.166 691 HB2 LYS 82 1HB LYS 82 16.966 15.809 8.156 692 HB3 LYS 82 2HB LYS 82 18.627 15.746 8.733 693 HG2 LYS 82 1HG LYS 82 18.907 13.782 7.762 694 HG3 LYS 82 2HG LYS 82 17.586 13.101 8.714 695 HD2 LYS 82 1HD LYS 82 15.978 13.890 7.048 696 HD3 LYS 82 2HD LYS 82 17.296 14.582 6.099 697 HE2 LYS 82 1HE LYS 82 16.882 12.540 5.058 698 HE3 LYS 82 2HE LYS 82 18.267 12.204 6.095 699 HZ1 LYS 82 3HZ LYS 82 16.744 10.436 6.368 700 HZ2 LYS 82 1HZ LYS 82 15.433 11.484 6.581 701 HZ3 LYS 82 2HZ LYS 82 16.629 11.374 7.771 702 H LEU 83 H LEU 83 16.815 12.935 11.418 703 HA LEU 83 HA LEU 83 19.575 12.860 12.450 704 HG LEU 83 HG LEU 83 19.520 13.249 14.967 705 HB2 LEU 83 1HB LEU 83 16.955 12.273 13.719 706 HB3 LEU 83 2HB LEU 83 18.336 11.285 14.192 707 HD11 LEU 83 1HD1 LEU 83 17.215 14.688 13.725 708 HD12 LEU 83 2HD1 LEU 83 18.943 15.008 13.587 709 HD13 LEU 83 3HD1 LEU 83 18.089 15.408 15.077 710 HD21 LEU 83 3HD2 LEU 83 18.384 13.473 16.936 711 HD22 LEU 83 1HD2 LEU 83 17.571 12.050 16.283 712 HD23 LEU 83 2HD2 LEU 83 16.816 13.638 16.143 713 H LYS 84 H LYS 84 20.569 10.795 12.660 714 HA LYS 84 HA LYS 84 19.307 8.644 11.099 715 HB2 LYS 84 1HB LYS 84 21.987 9.903 10.736 716 HB3 LYS 84 2HB LYS 84 21.836 8.174 10.451 717 HG2 LYS 84 1HG LYS 84 19.796 9.861 9.163 718 HG3 LYS 84 2HG LYS 84 21.446 10.051 8.566 719 HD2 LYS 84 1HD LYS 84 20.784 8.329 7.231 720 HD3 LYS 84 2HD LYS 84 21.352 7.393 8.615 721 HE2 LYS 84 1HE LYS 84 19.240 6.502 8.037 722 HE3 LYS 84 2HE LYS 84 18.983 7.475 9.484 723 HZ1 LYS 84 3HZ LYS 84 18.590 8.692 6.837 724 HZ2 LYS 84 1HZ LYS 84 17.865 9.083 8.315 725 HZ3 LYS 84 2HZ LYS 84 17.383 7.695 7.477 726 H ALA 85 H ALA 85 18.744 7.705 13.129 727 HA ALA 85 HA ALA 85 20.985 6.747 14.761 728 HB1 ALA 85 1HB ALA 85 19.592 7.453 16.366 729 HB2 ALA 85 2HB ALA 85 18.188 7.422 15.298 730 HB3 ALA 85 3HB ALA 85 18.737 5.938 16.076 731 H THR 86 H THR 86 20.937 4.509 15.521 732 HA THR 86 HA THR 86 19.607 2.672 13.645 733 HB THR 86 HB THR 86 22.446 2.372 14.645 734 HG1 THR 86 HG1 THR 86 21.634 2.787 11.959 735 HG21 THR 86 3HG2 THR 86 21.645 0.201 14.332 736 HG22 THR 86 1HG2 THR 86 22.408 0.579 12.789 737 HG23 THR 86 2HG2 THR 86 20.654 0.663 12.950 738 H ASP 87 H ASP 87 18.278 1.394 14.734 739 HA ASP 87 HA ASP 87 18.865 0.776 17.542 740 HB2 ASP 87 1HB ASP 87 16.436 -0.061 17.489 741 HB3 ASP 87 2HB ASP 87 16.698 1.677 17.378 742 H GLU 88 H GLU 88 19.456 -1.202 18.157 743 HA GLU 88 HA GLU 88 19.147 -3.403 16.220 744 HB2 GLU 88 1HB GLU 88 21.410 -2.754 18.097 745 HB3 GLU 88 2HB GLU 88 21.196 -4.366 17.430 746 HG2 GLU 88 1HG GLU 88 21.511 -1.867 15.785 747 HG3 GLU 88 2HG GLU 88 22.819 -2.980 16.187 748 H ASP 89 H ASP 89 19.906 -3.040 19.687 749 HA ASP 89 HA ASP 89 17.912 -5.139 20.238 750 HB2 ASP 89 1HB ASP 89 20.595 -4.558 21.410 751 HB3 ASP 89 2HB ASP 89 19.360 -5.250 22.457 Start of MODEL 18 1 H1 GLY -2 H GLY -2 13.522 -6.814 -3.020 2 HA2 GLY -2 1HA GLY -2 14.939 -7.275 -4.971 3 HA3 GLY -2 2HA GLY -2 13.575 -6.803 -5.974 4 H SER -1 H SER -1 15.889 -5.612 -6.528 5 HA SER -1 HA SER -1 15.853 -3.011 -5.166 6 HG SER -1 HG SER -1 18.708 -2.266 -7.041 7 HB2 SER -1 1HB SER -1 18.034 -4.138 -5.248 8 HB3 SER -1 2HB SER -1 17.939 -4.208 -7.007 9 H HIS 0 H HIS 0 13.720 -3.381 -6.803 10 HA HIS 0 HA HIS 0 14.383 -1.982 -9.300 11 HD1 HIS 0 HD1 HIS 0 10.479 -1.942 -7.918 12 HD2 HIS 0 HD2 HIS 0 11.938 -5.830 -8.026 13 HE1 HIS 0 HE1 HIS 0 8.969 -3.268 -6.407 14 HB2 HIS 0 1HB HIS 0 12.115 -2.670 -10.044 15 HB3 HIS 0 2HB HIS 0 13.149 -4.038 -9.644 16 H MET 1 H MET 1 14.254 -0.684 -6.684 17 HA MET 1 HA MET 1 11.806 0.757 -6.477 18 HB2 MET 1 1HB MET 1 12.915 2.068 -4.789 19 HB3 MET 1 2HB MET 1 13.371 0.383 -4.577 20 HG2 MET 1 1HG MET 1 15.506 0.786 -5.621 21 HG3 MET 1 2HG MET 1 15.049 2.450 -5.977 22 HE1 MET 1 3HE MET 1 17.251 0.527 -3.198 23 HE2 MET 1 1HE MET 1 15.980 0.536 -1.975 24 HE3 MET 1 2HE MET 1 15.690 -0.220 -3.542 25 H SER 2 H SER 2 11.358 2.899 -7.023 26 HA SER 2 HA SER 2 12.859 3.874 -9.324 27 HG SER 2 HG SER 2 10.497 4.798 -10.897 28 HB2 SER 2 1HB SER 2 10.268 3.665 -9.158 29 HB3 SER 2 2HB SER 2 10.371 5.170 -8.245 30 H HIS 3 H HIS 3 12.229 4.665 -6.002 31 HA HIS 3 HA HIS 3 12.820 7.365 -5.913 32 HD1 HIS 3 HD1 HIS 3 11.519 8.502 -4.284 33 HD2 HIS 3 HD2 HIS 3 14.557 7.202 -1.766 34 HE1 HIS 3 HE1 HIS 3 11.844 10.352 -2.611 35 HB2 HIS 3 1HB HIS 3 12.142 5.666 -4.029 36 HB3 HIS 3 2HB HIS 3 13.881 5.549 -3.780 37 H ASP 4 H ASP 4 14.760 8.503 -5.330 38 HA ASP 4 HA ASP 4 17.214 7.146 -6.240 39 HB2 ASP 4 1HB ASP 4 17.975 9.365 -7.069 40 HB3 ASP 4 2HB ASP 4 16.541 8.772 -7.902 41 H GLY 5 H GLY 5 19.235 8.336 -5.455 42 HA2 GLY 5 1HA GLY 5 18.993 8.601 -2.571 43 HA3 GLY 5 2HA GLY 5 20.488 8.507 -3.490 44 H LYS 6 H LYS 6 19.264 10.673 -5.294 45 HA LYS 6 HA LYS 6 20.487 12.876 -3.928 46 HB2 LYS 6 1HB LYS 6 20.456 12.410 -6.457 47 HB3 LYS 6 2HB LYS 6 18.830 13.082 -6.434 48 HG2 LYS 6 1HG LYS 6 19.690 15.186 -5.576 49 HG3 LYS 6 2HG LYS 6 21.322 14.516 -5.536 50 HD2 LYS 6 1HD LYS 6 21.410 15.584 -7.550 51 HD3 LYS 6 2HD LYS 6 20.782 14.024 -8.084 52 HE2 LYS 6 1HE LYS 6 18.965 16.288 -7.317 53 HE3 LYS 6 2HE LYS 6 19.621 16.137 -8.946 54 HZ1 LYS 6 3HZ LYS 6 17.628 15.030 -9.108 55 HZ2 LYS 6 1HZ LYS 6 17.715 14.386 -7.546 56 HZ3 LYS 6 2HZ LYS 6 18.683 13.750 -8.778 57 H GLU 7 H GLU 7 19.177 13.078 -2.050 58 HA GLU 7 HA GLU 7 16.808 14.713 -2.515 59 HB2 GLU 7 1HB GLU 7 16.070 12.319 -2.237 60 HB3 GLU 7 2HB GLU 7 16.727 12.374 -0.607 61 HG2 GLU 7 1HG GLU 7 14.611 12.920 -0.086 62 HG3 GLU 7 2HG GLU 7 15.161 14.540 -0.515 63 H GLU 8 H GLU 8 17.560 16.534 -1.599 64 HA GLU 8 HA GLU 8 19.360 16.795 0.474 65 HB2 GLU 8 1HB GLU 8 18.202 19.049 0.865 66 HB3 GLU 8 2HB GLU 8 18.876 18.747 -0.731 67 HG2 GLU 8 1HG GLU 8 16.719 18.294 -1.637 68 HG3 GLU 8 2HG GLU 8 15.982 18.322 -0.036 69 HA PRO 9 HA PRO 9 17.335 15.726 4.216 70 HB2 PRO 9 1HB PRO 9 18.374 17.544 5.944 71 HB3 PRO 9 2HB PRO 9 19.311 16.196 5.291 72 HG2 PRO 9 1HG PRO 9 19.255 19.060 4.422 73 HG3 PRO 9 2HG PRO 9 20.646 17.978 4.622 74 HD2 PRO 9 1HD PRO 9 19.557 18.519 2.202 75 HD3 PRO 9 2HD PRO 9 20.302 16.954 2.586 76 H GLY 10 H GLY 10 16.222 16.875 6.204 77 HA2 GLY 10 1HA GLY 10 14.838 18.686 6.946 78 HA3 GLY 10 2HA GLY 10 14.638 19.172 5.269 79 H ILE 11 H ILE 11 13.250 17.550 7.859 80 HA ILE 11 HA ILE 11 11.448 15.991 6.151 81 HB ILE 11 HB ILE 11 11.649 15.987 9.164 82 HG12 ILE 11 1HG1 ILE 11 12.599 13.589 8.488 83 HG13 ILE 11 2HG1 ILE 11 13.078 14.463 7.038 84 HG21 ILE 11 1HG2 ILE 11 10.184 14.209 7.223 85 HG22 ILE 11 2HG2 ILE 11 10.400 13.844 8.934 86 HG23 ILE 11 3HG2 ILE 11 9.481 15.268 8.445 87 HD11 ILE 11 3HD1 ILE 11 14.223 14.498 9.695 88 HD12 ILE 11 1HD1 ILE 11 14.908 15.023 8.157 89 HD13 ILE 11 2HD1 ILE 11 13.885 16.119 9.086 90 H ALA 12 H ALA 12 9.603 16.893 5.548 91 HA ALA 12 HA ALA 12 8.466 19.051 7.184 92 HB1 ALA 12 1HB ALA 12 7.100 19.509 5.110 93 HB2 ALA 12 2HB ALA 12 8.836 19.785 4.968 94 HB3 ALA 12 3HB ALA 12 8.117 18.327 4.286 95 H LYS 13 H LYS 13 6.834 18.546 8.474 96 HA LYS 13 HA LYS 13 4.830 16.615 7.556 97 HB2 LYS 13 1HB LYS 13 4.827 15.394 9.591 98 HB3 LYS 13 2HB LYS 13 6.509 15.508 9.092 99 HG2 LYS 13 1HG LYS 13 6.878 17.308 10.684 100 HG3 LYS 13 2HG LYS 13 5.181 17.243 11.165 101 HD2 LYS 13 1HD LYS 13 6.306 16.011 12.811 102 HD3 LYS 13 2HD LYS 13 5.624 14.789 11.734 103 HE2 LYS 13 1HE LYS 13 8.356 15.770 11.128 104 HE3 LYS 13 2HE LYS 13 8.165 14.741 12.547 105 HZ1 LYS 13 3HZ LYS 13 8.401 13.910 9.945 106 HZ2 LYS 13 1HZ LYS 13 6.762 13.694 10.302 107 HZ3 LYS 13 2HZ LYS 13 7.942 12.960 11.266 108 H LYS 14 H LYS 14 2.750 16.939 8.373 109 HA LYS 14 HA LYS 14 2.322 19.603 9.515 110 HB2 LYS 14 1HB LYS 14 0.287 17.741 8.282 111 HB3 LYS 14 2HB LYS 14 0.054 19.435 8.692 112 HG2 LYS 14 1HG LYS 14 2.097 19.733 7.032 113 HG3 LYS 14 2HG LYS 14 1.467 18.213 6.392 114 HD2 LYS 14 1HD LYS 14 -0.829 19.554 6.582 115 HD3 LYS 14 2HD LYS 14 0.266 20.926 6.390 116 HE2 LYS 14 1HE LYS 14 -0.528 20.243 4.223 117 HE3 LYS 14 2HE LYS 14 1.185 19.850 4.358 118 HZ1 LYS 14 3HZ LYS 14 -0.343 17.662 5.250 119 HZ2 LYS 14 1HZ LYS 14 0.721 17.742 3.938 120 HZ3 LYS 14 2HZ LYS 14 -0.910 18.135 3.728 121 H ILE 15 H ILE 15 1.935 19.767 11.614 122 HA ILE 15 HA ILE 15 0.730 17.468 13.009 123 HB ILE 15 HB ILE 15 1.777 18.342 15.069 124 HG12 ILE 15 1HG1 ILE 15 3.499 20.128 13.388 125 HG13 ILE 15 2HG1 ILE 15 1.943 20.717 13.963 126 HG21 ILE 15 1HG2 ILE 15 2.894 16.809 13.158 127 HG22 ILE 15 2HG2 ILE 15 4.089 18.101 13.260 128 HG23 ILE 15 3HG2 ILE 15 3.670 17.172 14.699 129 HD11 ILE 15 3HD1 ILE 15 2.693 20.999 16.043 130 HD12 ILE 15 1HD1 ILE 15 3.576 19.473 16.037 131 HD13 ILE 15 2HD1 ILE 15 4.294 20.911 15.310 132 H ASN 16 H ASN 16 -0.597 18.030 14.921 133 HA ASN 16 HA ASN 16 -2.103 20.520 14.459 134 HB2 ASN 16 1HB ASN 16 -3.195 18.172 14.047 135 HB3 ASN 16 2HB ASN 16 -3.325 18.135 15.803 136 HD21 ASN 16 2HD2 ASN 16 -4.956 18.846 13.090 137 HD22 ASN 16 1HD2 ASN 16 -6.069 20.018 13.699 138 H SER 17 H SER 17 -0.472 18.504 16.747 139 HA SER 17 HA SER 17 -1.379 20.163 18.987 140 HG SER 17 HG SER 17 -2.422 17.680 19.365 141 HB2 SER 17 1HB SER 17 0.401 17.741 19.209 142 HB3 SER 17 2HB SER 17 -0.642 18.454 20.440 143 H VAL 18 H VAL 18 0.038 21.315 20.281 144 HA VAL 18 HA VAL 18 2.487 22.145 18.976 145 HB VAL 18 HB VAL 18 2.626 23.871 20.657 146 HG11 VAL 18 1HG1 VAL 18 -0.182 23.472 19.635 147 HG12 VAL 18 2HG1 VAL 18 0.429 24.980 20.318 148 HG13 VAL 18 3HG1 VAL 18 1.130 24.334 18.834 149 HG21 VAL 18 3HG2 VAL 18 0.327 23.672 22.193 150 HG22 VAL 18 1HG2 VAL 18 0.973 22.031 22.167 151 HG23 VAL 18 2HG2 VAL 18 1.978 23.365 22.731 152 H ASP 19 H ASP 19 1.610 19.820 21.243 153 HA ASP 19 HA ASP 19 3.764 19.870 23.042 154 HB2 ASP 19 1HB ASP 19 1.866 18.519 23.568 155 HB3 ASP 19 2HB ASP 19 2.016 17.610 22.067 156 H ASP 20 H ASP 20 3.422 18.472 19.835 157 HA ASP 20 HA ASP 20 5.991 17.154 19.952 158 HB2 ASP 20 1HB ASP 20 3.825 17.420 17.902 159 HB3 ASP 20 2HB ASP 20 5.432 16.908 17.393 160 H ILE 21 H ILE 21 6.643 19.598 20.573 161 HA ILE 21 HA ILE 21 7.809 20.719 18.112 162 HB ILE 21 HB ILE 21 6.713 22.266 20.461 163 HG12 ILE 21 1HG1 ILE 21 5.940 22.351 17.539 164 HG13 ILE 21 2HG1 ILE 21 5.072 21.429 18.762 165 HG21 ILE 21 1HG2 ILE 21 8.478 23.603 19.957 166 HG22 ILE 21 2HG2 ILE 21 8.600 23.006 18.303 167 HG23 ILE 21 3HG2 ILE 21 7.356 24.181 18.726 168 HD11 ILE 21 3HD1 ILE 21 5.366 24.412 18.576 169 HD12 ILE 21 1HD1 ILE 21 3.894 23.454 18.420 170 HD13 ILE 21 2HD1 ILE 21 4.703 23.581 19.983 171 H ILE 22 H ILE 22 9.924 21.349 18.208 172 HA ILE 22 HA ILE 22 11.299 21.103 20.796 173 HB ILE 22 HB ILE 22 13.233 20.068 19.596 174 HG12 ILE 22 1HG1 ILE 22 11.268 19.447 17.397 175 HG13 ILE 22 2HG1 ILE 22 12.344 20.838 17.314 176 HG21 ILE 22 1HG2 ILE 22 12.491 18.072 20.265 177 HG22 ILE 22 2HG2 ILE 22 10.985 18.900 20.660 178 HG23 ILE 22 3HG2 ILE 22 11.161 18.083 19.107 179 HD11 ILE 22 3HD1 ILE 22 13.395 19.127 16.103 180 HD12 ILE 22 1HD1 ILE 22 14.247 19.210 17.645 181 HD13 ILE 22 2HD1 ILE 22 13.069 17.929 17.356 182 H ILE 23 H ILE 23 13.766 21.805 20.299 183 HA ILE 23 HA ILE 23 13.600 24.585 19.689 184 HB ILE 23 HB ILE 23 16.002 22.829 20.204 185 HG12 ILE 23 1HG1 ILE 23 15.888 24.356 22.359 186 HG13 ILE 23 2HG1 ILE 23 14.191 24.488 21.910 187 HG21 ILE 23 1HG2 ILE 23 15.770 25.805 19.842 188 HG22 ILE 23 2HG2 ILE 23 17.132 25.044 20.663 189 HG23 ILE 23 3HG2 ILE 23 16.806 24.675 18.969 190 HD11 ILE 23 3HD1 ILE 23 15.548 21.833 22.194 191 HD12 ILE 23 1HD1 ILE 23 14.837 22.677 23.570 192 HD13 ILE 23 2HD1 ILE 23 13.824 22.200 22.207 193 H LYS 24 H LYS 24 14.432 21.746 17.891 194 HA LYS 24 HA LYS 24 15.642 23.298 15.736 195 HB2 LYS 24 1HB LYS 24 15.313 20.340 16.215 196 HB3 LYS 24 2HB LYS 24 15.896 20.985 14.687 197 HG2 LYS 24 1HG LYS 24 17.898 20.655 15.668 198 HG3 LYS 24 2HG LYS 24 17.566 22.252 16.342 199 HD2 LYS 24 1HD LYS 24 18.228 20.955 18.182 200 HD3 LYS 24 2HD LYS 24 16.467 21.010 18.286 201 HE2 LYS 24 1HE LYS 24 16.241 18.808 17.527 202 HE3 LYS 24 2HE LYS 24 17.880 18.768 16.881 203 HZ1 LYS 24 3HZ LYS 24 18.221 19.261 19.541 204 HZ2 LYS 24 1HZ LYS 24 18.427 17.768 18.773 205 HZ3 LYS 24 2HZ LYS 24 16.952 18.143 19.511 206 H CYS 25 H CYS 25 12.611 22.777 16.670 207 HA CYS 25 HA CYS 25 11.475 22.026 14.105 208 HG CYS 25 HG CYS 25 8.729 23.014 13.945 209 HB2 CYS 25 1HB CYS 25 10.313 21.110 15.953 210 HB3 CYS 25 2HB CYS 25 10.291 22.650 16.804 211 H GLN 26 H GLN 26 10.432 23.368 12.707 212 HA GLN 26 HA GLN 26 10.404 26.235 13.384 213 HB2 GLN 26 1HB GLN 26 11.035 24.974 10.710 214 HB3 GLN 26 2HB GLN 26 10.874 26.701 10.998 215 HG2 GLN 26 1HG GLN 26 12.774 26.633 12.522 216 HG3 GLN 26 2HG GLN 26 12.930 24.898 12.255 217 HE21 GLN 26 2HE2 GLN 26 14.346 24.300 10.787 218 HE22 GLN 26 1HE2 GLN 26 14.938 25.271 9.486 219 H CYS 27 H CYS 27 8.482 27.183 13.247 220 HA CYS 27 HA CYS 27 6.432 25.983 11.512 221 HG CYS 27 HG CYS 27 6.080 28.710 14.414 222 HB2 CYS 27 1HB CYS 27 4.735 26.368 13.211 223 HB3 CYS 27 2HB CYS 27 6.014 25.353 13.867 224 H TRP 28 H TRP 28 4.397 27.724 11.838 225 HA TRP 28 HA TRP 28 5.563 30.302 11.010 226 HD1 TRP 28 HD1 TRP 28 5.023 27.116 8.961 227 HE1 TRP 28 HE1 TRP 28 6.404 27.318 6.799 228 HE3 TRP 28 HE3 TRP 28 4.497 32.133 8.128 229 HZ2 TRP 28 HZ2 TRP 28 7.169 29.337 4.981 230 HZ3 TRP 28 HZ3 TRP 28 5.585 33.121 6.156 231 HH2 TRP 28 HH2 TRP 28 6.894 31.751 4.616 232 HB2 TRP 28 1HB TRP 28 3.126 28.840 9.994 233 HB3 TRP 28 2HB TRP 28 3.403 30.551 9.676 234 H VAL 29 H VAL 29 4.792 32.147 11.909 235 HA VAL 29 HA VAL 29 2.664 31.851 13.929 236 HB VAL 29 HB VAL 29 4.959 33.816 13.963 237 HG11 VAL 29 1HG1 VAL 29 3.904 33.682 16.493 238 HG12 VAL 29 2HG1 VAL 29 3.587 34.956 15.313 239 HG13 VAL 29 3HG1 VAL 29 2.470 33.599 15.469 240 HG21 VAL 29 3HG2 VAL 29 4.513 31.385 15.693 241 HG22 VAL 29 1HG2 VAL 29 5.658 31.478 14.355 242 HG23 VAL 29 2HG2 VAL 29 5.874 32.503 15.773 243 H GLN 30 H GLN 30 1.071 33.403 14.055 244 HA GLN 30 HA GLN 30 0.669 34.968 11.652 245 HB2 GLN 30 1HB GLN 30 -1.013 33.681 13.484 246 HB3 GLN 30 2HB GLN 30 -1.316 35.398 13.713 247 HG2 GLN 30 1HG GLN 30 -1.693 35.599 11.268 248 HG3 GLN 30 2HG GLN 30 -1.540 33.847 11.146 249 HE21 GLN 30 2HE2 GLN 30 -3.804 35.585 10.531 250 HE22 GLN 30 1HE2 GLN 30 -5.119 35.016 11.496 251 H LYS 31 H LYS 31 1.424 36.959 11.464 252 HA LYS 31 HA LYS 31 1.236 38.786 13.737 253 HB2 LYS 31 1HB LYS 31 3.722 37.751 12.600 254 HB3 LYS 31 2HB LYS 31 3.655 39.508 12.613 255 HG2 LYS 31 1HG LYS 31 3.243 37.722 15.003 256 HG3 LYS 31 2HG LYS 31 4.713 38.623 14.625 257 HD2 LYS 31 1HD LYS 31 3.084 40.672 14.577 258 HD3 LYS 31 2HD LYS 31 2.055 39.621 15.553 259 HE2 LYS 31 1HE LYS 31 4.927 40.269 16.201 260 HE3 LYS 31 2HE LYS 31 3.542 41.125 16.877 261 HZ1 LYS 31 3HZ LYS 31 3.562 38.217 17.119 262 HZ2 LYS 31 1HZ LYS 31 2.995 39.389 18.199 263 HZ3 LYS 31 2HZ LYS 31 4.653 39.075 18.086 264 H ASN 32 H ASN 32 0.699 40.831 13.175 265 HA ASN 32 HA ASN 32 -0.117 42.518 11.882 266 HB2 ASN 32 1HB ASN 32 2.268 41.642 10.252 267 HB3 ASN 32 2HB ASN 32 1.300 43.053 9.836 268 HD21 ASN 32 2HD2 ASN 32 0.847 44.400 11.983 269 HD22 ASN 32 1HD2 ASN 32 2.288 44.817 12.841 270 H ASP 33 H ASP 33 -1.679 40.371 11.627 271 HA ASP 33 HA ASP 33 -3.191 39.292 10.306 272 HB2 ASP 33 1HB ASP 33 -3.542 41.843 9.840 273 HB3 ASP 33 2HB ASP 33 -2.873 41.457 8.257 274 H GLU 34 H GLU 34 -0.318 38.750 9.869 275 HA GLU 34 HA GLU 34 -0.600 37.455 7.259 276 HB2 GLU 34 1HB GLU 34 1.722 39.184 8.112 277 HB3 GLU 34 2HB GLU 34 1.824 38.028 6.792 278 HG2 GLU 34 1HG GLU 34 0.275 39.216 5.487 279 HG3 GLU 34 2HG GLU 34 -0.250 40.192 6.858 280 H GLU 35 H GLU 35 1.545 36.026 6.969 281 HA GLU 35 HA GLU 35 2.006 34.638 9.525 282 HB2 GLU 35 1HB GLU 35 2.106 32.516 8.159 283 HB3 GLU 35 2HB GLU 35 0.512 33.240 8.320 284 HG2 GLU 35 1HG GLU 35 1.760 34.299 5.993 285 HG3 GLU 35 2HG GLU 35 1.895 32.542 5.963 286 H ARG 36 H ARG 36 4.075 34.493 10.066 287 HA ARG 36 HA ARG 36 6.099 34.653 7.929 288 HE ARG 36 HE ARG 36 3.899 39.104 8.365 289 HB2 ARG 36 1HB ARG 36 6.145 35.831 10.708 290 HB3 ARG 36 2HB ARG 36 7.575 35.702 9.692 291 HG2 ARG 36 1HG ARG 36 6.961 37.822 9.181 292 HG3 ARG 36 2HG ARG 36 6.010 36.962 7.968 293 HD2 ARG 36 1HD ARG 36 4.052 37.059 9.383 294 HD3 ARG 36 2HD ARG 36 4.989 37.801 10.679 295 HH11 ARG 36 1HH1 ARG 36 6.384 39.218 10.801 296 HH12 ARG 36 2HH1 ARG 36 6.607 40.932 10.680 297 HH21 ARG 36 1HH2 ARG 36 4.183 41.361 8.196 298 HH22 ARG 36 2HH2 ARG 36 5.353 42.150 9.199 299 H LEU 37 H LEU 37 7.896 33.328 8.080 300 HA LEU 37 HA LEU 37 7.520 30.869 9.472 301 HG LEU 37 HG LEU 37 9.920 29.580 9.451 302 HB2 LEU 37 1HB LEU 37 8.633 31.102 7.259 303 HB3 LEU 37 2HB LEU 37 9.995 31.870 8.073 304 HD11 LEU 37 1HD1 LEU 37 8.732 28.946 6.760 305 HD12 LEU 37 2HD1 LEU 37 8.079 28.564 8.353 306 HD13 LEU 37 3HD1 LEU 37 9.532 27.747 7.777 307 HD21 LEU 37 3HD2 LEU 37 11.893 29.159 8.441 308 HD22 LEU 37 1HD2 LEU 37 11.628 30.752 7.731 309 HD23 LEU 37 2HD2 LEU 37 11.217 29.300 6.818 310 H ALA 38 H ALA 38 7.772 30.740 11.605 311 HA ALA 38 HA ALA 38 10.014 32.185 12.851 312 HB1 ALA 38 1HB ALA 38 8.766 32.526 14.719 313 HB2 ALA 38 2HB ALA 38 7.459 32.430 13.538 314 HB3 ALA 38 3HB ALA 38 7.861 31.025 14.526 315 H GLU 39 H GLU 39 11.609 31.084 13.820 316 HA GLU 39 HA GLU 39 11.424 28.159 13.828 317 HB2 GLU 39 1HB GLU 39 13.326 28.958 12.624 318 HB3 GLU 39 2HB GLU 39 13.774 30.047 13.929 319 HG2 GLU 39 1HG GLU 39 14.530 28.296 15.285 320 HG3 GLU 39 2HG GLU 39 13.715 27.075 14.308 321 H ILE 40 H ILE 40 11.293 27.034 15.660 322 HA ILE 40 HA ILE 40 10.903 28.287 18.150 323 HB ILE 40 HB ILE 40 11.597 25.391 17.652 324 HG12 ILE 40 1HG1 ILE 40 9.639 26.176 16.337 325 HG13 ILE 40 2HG1 ILE 40 9.208 24.980 17.555 326 HG21 ILE 40 1HG2 ILE 40 9.890 25.528 19.802 327 HG22 ILE 40 2HG2 ILE 40 11.638 25.314 19.882 328 HG23 ILE 40 3HG2 ILE 40 10.940 26.926 20.035 329 HD11 ILE 40 3HD1 ILE 40 7.977 27.398 17.140 330 HD12 ILE 40 1HD1 ILE 40 7.826 26.385 18.576 331 HD13 ILE 40 2HD1 ILE 40 9.002 27.699 18.544 332 H LEU 41 H LEU 41 12.199 28.535 19.929 333 HA LEU 41 HA LEU 41 15.065 27.968 19.535 334 HG LEU 41 HG LEU 41 14.262 30.648 18.490 335 HB2 LEU 41 1HB LEU 41 13.667 30.286 20.827 336 HB3 LEU 41 2HB LEU 41 15.344 29.899 21.205 337 HD11 LEU 41 1HD1 LEU 41 14.316 32.580 19.872 338 HD12 LEU 41 2HD1 LEU 41 15.742 32.641 18.837 339 HD13 LEU 41 3HD1 LEU 41 15.898 32.148 20.523 340 HD21 LEU 41 3HD2 LEU 41 16.865 29.572 19.416 341 HD22 LEU 41 1HD2 LEU 41 16.896 30.859 18.211 342 HD23 LEU 41 2HD2 LEU 41 16.031 29.359 17.876 343 H SER 42 H SER 42 12.444 28.181 21.902 344 HA SER 42 HA SER 42 13.619 26.016 23.417 345 HG SER 42 HG SER 42 14.957 26.293 24.883 346 HB2 SER 42 1HB SER 42 14.283 28.594 24.187 347 HB3 SER 42 2HB SER 42 12.934 28.188 25.248 348 H ILE 43 H ILE 43 12.174 25.531 25.388 349 HA ILE 43 HA ILE 43 9.364 26.115 24.731 350 HB ILE 43 HB ILE 43 10.423 23.439 25.646 351 HG12 ILE 43 1HG1 ILE 43 9.249 24.181 22.961 352 HG13 ILE 43 2HG1 ILE 43 10.978 24.067 23.274 353 HG21 ILE 43 1HG2 ILE 43 7.734 24.603 25.418 354 HG22 ILE 43 2HG2 ILE 43 7.918 22.991 24.728 355 HG23 ILE 43 3HG2 ILE 43 8.318 23.275 26.422 356 HD11 ILE 43 3HD1 ILE 43 10.701 21.978 22.515 357 HD12 ILE 43 1HD1 ILE 43 10.167 21.660 24.165 358 HD13 ILE 43 2HD1 ILE 43 8.979 21.953 22.895 359 H ASN 44 H ASN 44 7.966 26.376 26.442 360 HA ASN 44 HA ASN 44 9.020 26.040 29.153 361 HB2 ASN 44 1HB ASN 44 9.497 28.352 28.676 362 HB3 ASN 44 2HB ASN 44 7.875 28.607 28.039 363 HD21 ASN 44 2HD2 ASN 44 7.490 30.279 29.487 364 HD22 ASN 44 1HD2 ASN 44 7.189 29.990 31.163 365 H THR 45 H THR 45 7.617 24.441 29.701 366 HA THR 45 HA THR 45 4.750 24.877 29.272 367 HB THR 45 HB THR 45 4.544 22.486 30.065 368 HG1 THR 45 HG1 THR 45 6.292 21.612 30.855 369 HG21 THR 45 3HG2 THR 45 4.498 22.021 27.888 370 HG22 THR 45 1HG2 THR 45 6.260 22.029 27.821 371 HG23 THR 45 2HG2 THR 45 5.360 23.525 27.568 372 H ARG 46 H ARG 46 5.725 26.575 31.141 373 HA ARG 46 HA ARG 46 5.175 25.374 33.756 374 HE ARG 46 HE ARG 46 6.427 31.091 32.508 375 HB2 ARG 46 1HB ARG 46 6.262 27.212 34.735 376 HB3 ARG 46 2HB ARG 46 7.215 26.854 33.302 377 HG2 ARG 46 1HG ARG 46 6.074 28.666 32.105 378 HG3 ARG 46 2HG ARG 46 5.158 29.037 33.567 379 HD2 ARG 46 1HD ARG 46 7.240 29.524 34.750 380 HD3 ARG 46 2HD ARG 46 8.161 29.136 33.298 381 HH11 ARG 46 1HH1 ARG 46 8.838 30.793 35.002 382 HH12 ARG 46 2HH1 ARG 46 9.228 32.481 35.009 383 HH21 ARG 46 1HH2 ARG 46 6.931 33.316 32.508 384 HH22 ARG 46 2HH2 ARG 46 8.142 33.915 33.590 385 H LYS 47 H LYS 47 3.332 26.475 31.420 386 HA LYS 47 HA LYS 47 1.370 27.610 33.275 387 HB2 LYS 47 1HB LYS 47 2.744 29.270 31.637 388 HB3 LYS 47 2HB LYS 47 1.410 28.827 30.579 389 HG2 LYS 47 1HG LYS 47 -0.146 29.888 31.863 390 HG3 LYS 47 2HG LYS 47 0.773 29.671 33.355 391 HD2 LYS 47 1HD LYS 47 2.408 31.347 32.528 392 HD3 LYS 47 2HD LYS 47 1.369 31.618 31.127 393 HE2 LYS 47 1HE LYS 47 0.678 33.307 32.526 394 HE3 LYS 47 2HE LYS 47 -0.467 32.033 32.941 395 HZ1 LYS 47 3HZ LYS 47 1.403 33.337 34.603 396 HZ2 LYS 47 1HZ LYS 47 1.748 31.681 34.571 397 HZ3 LYS 47 2HZ LYS 47 0.209 32.216 35.027 398 H ALA 48 H ALA 48 -0.800 27.905 31.938 399 HA ALA 48 HA ALA 48 -1.159 25.664 30.086 400 HB1 ALA 48 1HB ALA 48 -3.396 25.300 31.446 401 HB2 ALA 48 2HB ALA 48 -1.891 24.504 31.908 402 HB3 ALA 48 3HB ALA 48 -2.419 25.955 32.761 403 HA PRO 49 HA PRO 49 -1.701 25.337 28.298 404 HB2 PRO 49 1HB PRO 49 -1.196 26.484 25.890 405 HB3 PRO 49 2HB PRO 49 -2.747 25.738 26.292 406 HG2 PRO 49 1HG PRO 49 -1.974 28.630 26.317 407 HG3 PRO 49 2HG PRO 49 -3.463 27.875 25.718 408 HD2 PRO 49 1HD PRO 49 -3.318 29.099 28.129 409 HD3 PRO 49 2HD PRO 49 -4.374 27.704 27.829 410 HA PRO 50 HA PRO 50 2.509 26.487 28.832 411 HB2 PRO 50 1HB PRO 50 3.769 25.010 26.933 412 HB3 PRO 50 2HB PRO 50 3.067 24.301 28.392 413 HG2 PRO 50 1HG PRO 50 1.942 24.435 25.621 414 HG3 PRO 50 2HG PRO 50 1.940 23.080 26.766 415 HD2 PRO 50 1HD PRO 50 -0.222 24.664 26.379 416 HD3 PRO 50 2HD PRO 50 0.146 23.917 27.947 417 H LYS 51 H LYS 51 4.398 27.483 27.813 418 HA LYS 51 HA LYS 51 3.644 29.096 25.465 419 HB2 LYS 51 1HB LYS 51 5.308 29.747 27.885 420 HB3 LYS 51 2HB LYS 51 5.459 30.676 26.400 421 HG2 LYS 51 1HG LYS 51 3.036 31.174 26.520 422 HG3 LYS 51 2HG LYS 51 2.981 30.345 28.077 423 HD2 LYS 51 1HD LYS 51 4.217 31.983 29.141 424 HD3 LYS 51 2HD LYS 51 4.961 32.541 27.641 425 HE2 LYS 51 1HE LYS 51 3.438 34.227 28.245 426 HE3 LYS 51 2HE LYS 51 2.643 33.322 26.959 427 HZ1 LYS 51 3HZ LYS 51 1.876 32.061 29.258 428 HZ2 LYS 51 1HZ LYS 51 0.939 33.137 28.350 429 HZ3 LYS 51 2HZ LYS 51 1.834 33.701 29.669 430 H PHE 52 H PHE 52 5.428 29.755 24.051 431 HA PHE 52 HA PHE 52 7.761 27.989 24.118 432 HD1 PHE 52 HD1 PHE 52 4.039 27.592 23.025 433 HD2 PHE 52 HD2 PHE 52 7.508 25.189 22.468 434 HE1 PHE 52 HE1 PHE 52 2.755 25.595 23.670 435 HE2 PHE 52 HE2 PHE 52 6.229 23.188 23.111 436 HZ PHE 52 HZ PHE 52 3.849 23.389 23.712 437 HB2 PHE 52 1HB PHE 52 6.014 28.352 21.675 438 HB3 PHE 52 2HB PHE 52 7.507 27.422 21.750 439 H TYR 53 H TYR 53 9.570 28.762 22.952 440 HA TYR 53 HA TYR 53 9.503 31.662 22.537 441 HD1 TYR 53 HD1 TYR 53 10.250 33.070 23.867 442 HD2 TYR 53 HD2 TYR 53 13.908 31.412 22.461 443 HE1 TYR 53 HE1 TYR 53 11.306 35.287 24.016 444 HE2 TYR 53 HE2 TYR 53 14.973 33.624 22.607 445 HH TYR 53 HH TYR 53 14.752 35.727 23.379 446 HB2 TYR 53 1HB TYR 53 11.198 30.363 24.069 447 HB3 TYR 53 2HB TYR 53 12.034 30.062 22.549 448 H VAL 54 H VAL 54 9.310 32.375 20.530 449 HA VAL 54 HA VAL 54 10.383 30.729 18.333 450 HB VAL 54 HB VAL 54 8.761 31.987 16.877 451 HG11 VAL 54 1HG1 VAL 54 7.006 30.501 17.291 452 HG12 VAL 54 2HG1 VAL 54 8.428 29.671 17.927 453 HG13 VAL 54 3HG1 VAL 54 7.311 30.480 19.028 454 HG21 VAL 54 3HG2 VAL 54 7.702 32.877 19.556 455 HG22 VAL 54 1HG2 VAL 54 8.334 33.902 18.267 456 HG23 VAL 54 2HG2 VAL 54 6.822 33.023 18.035 457 H HIS 55 H HIS 55 11.366 31.814 16.553 458 HA HIS 55 HA HIS 55 12.165 34.595 17.032 459 HD1 HIS 55 HD1 HIS 55 14.074 35.929 15.892 460 HD2 HIS 55 HD2 HIS 55 16.280 32.458 15.302 461 HE1 HIS 55 HE1 HIS 55 15.947 36.578 14.344 462 HB2 HIS 55 1HB HIS 55 14.090 33.572 17.838 463 HB3 HIS 55 2HB HIS 55 13.968 32.223 16.711 464 H TYR 56 H TYR 56 11.764 35.782 15.295 465 HA TYR 56 HA TYR 56 10.965 34.628 12.824 466 HD1 TYR 56 HD2 TYR 56 10.606 37.456 15.669 467 HD2 TYR 56 HD1 TYR 56 8.462 36.361 12.161 468 HE1 TYR 56 HE2 TYR 56 8.489 37.683 16.899 469 HE2 TYR 56 HE1 TYR 56 6.338 36.586 13.381 470 HH TYR 56 HH TYR 56 6.223 36.992 16.809 471 HB2 TYR 56 1HB TYR 56 11.667 37.504 13.447 472 HB3 TYR 56 2HB TYR 56 10.789 36.939 12.030 473 H VAL 57 H VAL 57 12.392 33.622 11.559 474 HA VAL 57 HA VAL 57 15.154 34.093 11.484 475 HB VAL 57 HB VAL 57 13.421 32.863 9.335 476 HG11 VAL 57 1HG1 VAL 57 16.042 31.766 9.448 477 HG12 VAL 57 2HG1 VAL 57 15.266 32.635 8.122 478 HG13 VAL 57 3HG1 VAL 57 16.179 33.521 9.344 479 HG21 VAL 57 3HG2 VAL 57 14.678 31.774 11.823 480 HG22 VAL 57 1HG2 VAL 57 13.046 31.536 11.197 481 HG23 VAL 57 2HG2 VAL 57 14.413 30.731 10.426 482 H ASN 58 H ASN 58 12.517 35.371 9.519 483 HA ASN 58 HA ASN 58 14.098 36.647 7.569 484 HB2 ASN 58 1HB ASN 58 11.280 36.960 8.531 485 HB3 ASN 58 2HB ASN 58 11.954 38.168 7.441 486 HD21 ASN 58 2HD2 ASN 58 12.207 34.635 7.672 487 HD22 ASN 58 1HD2 ASN 58 11.730 34.326 6.041 488 H TYR 59 H TYR 59 13.445 37.414 10.845 489 HA TYR 59 HA TYR 59 14.591 40.103 10.466 490 HD1 TYR 59 HD2 TYR 59 13.076 42.158 10.476 491 HD2 TYR 59 HD1 TYR 59 10.605 38.886 11.615 492 HE1 TYR 59 HE2 TYR 59 11.246 43.071 9.109 493 HE2 TYR 59 HE1 TYR 59 8.769 39.790 10.250 494 HH TYR 59 HH TYR 59 8.893 42.953 8.866 495 HB2 TYR 59 1HB TYR 59 12.691 39.112 12.598 496 HB3 TYR 59 2HB TYR 59 13.462 40.694 12.617 497 H ASN 60 H ASN 60 15.382 40.791 12.904 498 HA ASN 60 HA ASN 60 17.679 39.109 13.334 499 HB2 ASN 60 1HB ASN 60 16.762 41.774 14.320 500 HB3 ASN 60 2HB ASN 60 17.977 40.911 15.259 501 HD21 ASN 60 2HD2 ASN 60 17.233 42.077 12.014 502 HD22 ASN 60 1HD2 ASN 60 18.873 42.347 11.542 503 H LYS 61 H LYS 61 18.332 38.736 15.722 504 HA LYS 61 HA LYS 61 16.377 36.991 16.858 505 HB2 LYS 61 1HB LYS 61 19.113 37.883 17.760 506 HB3 LYS 61 2HB LYS 61 18.122 36.778 18.703 507 HG2 LYS 61 1HG LYS 61 19.527 35.377 17.501 508 HG3 LYS 61 2HG LYS 61 18.026 35.355 16.573 509 HD2 LYS 61 1HD LYS 61 18.906 36.786 14.921 510 HD3 LYS 61 2HD LYS 61 20.271 37.253 15.939 511 HE2 LYS 61 1HE LYS 61 21.401 35.285 15.553 512 HE3 LYS 61 2HE LYS 61 19.929 34.386 15.190 513 HZ1 LYS 61 3HZ LYS 61 21.048 34.662 13.159 514 HZ2 LYS 61 1HZ LYS 61 21.369 36.298 13.447 515 HZ3 LYS 61 2HZ LYS 61 19.788 35.791 13.123 516 H ARG 62 H ARG 62 16.856 40.295 17.078 517 HA ARG 62 HA ARG 62 16.086 40.639 19.829 518 HE ARG 62 HE ARG 62 14.233 44.133 17.773 519 HB2 ARG 62 1HB ARG 62 15.934 43.050 19.210 520 HB3 ARG 62 2HB ARG 62 17.489 42.320 18.834 521 HG2 ARG 62 1HG ARG 62 17.188 42.494 16.585 522 HG3 ARG 62 2HG ARG 62 15.432 42.363 16.699 523 HD2 ARG 62 1HD ARG 62 16.912 44.762 17.731 524 HD3 ARG 62 2HD ARG 62 16.423 44.631 16.042 525 HH11 ARG 62 1HH1 ARG 62 16.211 46.694 16.492 526 HH12 ARG 62 2HH1 ARG 62 14.974 47.899 16.636 527 HH21 ARG 62 1HH2 ARG 62 12.596 45.709 17.968 528 HH22 ARG 62 2HH2 ARG 62 12.918 47.338 17.477 529 H LEU 63 H LEU 63 14.414 39.639 17.196 530 HA LEU 63 HA LEU 63 11.940 41.048 17.892 531 HG LEU 63 HG LEU 63 10.533 41.564 16.071 532 HB2 LEU 63 1HB LEU 63 13.059 40.060 15.466 533 HB3 LEU 63 2HB LEU 63 11.538 39.221 15.764 534 HD11 LEU 63 1HD1 LEU 63 11.678 43.365 14.929 535 HD12 LEU 63 2HD1 LEU 63 13.040 42.305 14.570 536 HD13 LEU 63 3HD1 LEU 63 12.682 42.745 16.239 537 HD21 LEU 63 3HD2 LEU 63 11.099 41.638 13.299 538 HD22 LEU 63 1HD2 LEU 63 9.659 41.019 14.108 539 HD23 LEU 63 2HD2 LEU 63 11.018 39.943 13.782 540 H ASP 64 H ASP 64 13.514 37.994 18.159 541 HA ASP 64 HA ASP 64 11.430 36.201 18.363 542 HB2 ASP 64 1HB ASP 64 12.887 34.812 19.668 543 HB3 ASP 64 2HB ASP 64 13.882 35.667 18.492 544 H GLU 65 H GLU 65 10.421 35.242 20.273 545 HA GLU 65 HA GLU 65 10.369 36.544 22.777 546 HB2 GLU 65 1HB GLU 65 8.028 37.433 22.632 547 HB3 GLU 65 2HB GLU 65 9.213 38.334 21.697 548 HG2 GLU 65 1HG GLU 65 8.441 37.416 19.659 549 HG3 GLU 65 2HG GLU 65 7.459 36.214 20.495 550 H TRP 66 H TRP 66 8.088 35.900 23.894 551 HA TRP 66 HA TRP 66 7.898 33.005 23.472 552 HD1 TRP 66 HD1 TRP 66 9.470 35.836 25.930 553 HE1 TRP 66 HE1 TRP 66 11.677 34.937 26.900 554 HE3 TRP 66 HE3 TRP 66 8.312 30.860 26.103 555 HZ2 TRP 66 HZ2 TRP 66 12.782 32.447 27.640 556 HZ3 TRP 66 HZ3 TRP 66 10.000 29.285 26.955 557 HH2 TRP 66 HH2 TRP 66 12.188 30.064 27.706 558 HB2 TRP 66 1HB TRP 66 6.990 34.674 25.828 559 HB3 TRP 66 2HB TRP 66 6.960 32.915 25.734 560 H ILE 67 H ILE 67 6.287 32.390 22.192 561 HA ILE 67 HA ILE 67 3.766 33.901 22.256 562 HB ILE 67 HB ILE 67 3.245 32.816 20.106 563 HG12 ILE 67 1HG1 ILE 67 6.082 31.812 20.046 564 HG13 ILE 67 2HG1 ILE 67 4.770 30.810 20.657 565 HG21 ILE 67 1HG2 ILE 67 5.194 33.912 18.811 566 HG22 ILE 67 2HG2 ILE 67 4.166 34.926 19.822 567 HG23 ILE 67 3HG2 ILE 67 5.753 34.421 20.404 568 HD11 ILE 67 3HD1 ILE 67 3.623 31.095 18.475 569 HD12 ILE 67 1HD1 ILE 67 5.055 31.939 17.885 570 HD13 ILE 67 2HD1 ILE 67 5.166 30.248 18.374 571 H THR 68 H THR 68 1.758 32.702 22.145 572 HA THR 68 HA THR 68 1.922 30.202 23.676 573 HB THR 68 HB THR 68 -0.684 30.749 23.814 574 HG1 THR 68 HG1 THR 68 0.515 33.326 23.589 575 HG21 THR 68 3HG2 THR 68 0.597 30.509 25.789 576 HG22 THR 68 1HG2 THR 68 -0.147 32.103 25.897 577 HG23 THR 68 2HG2 THR 68 1.549 31.951 25.438 578 H THR 69 H THR 69 -0.114 28.758 23.235 579 HA THR 69 HA THR 69 0.182 27.579 20.744 580 HB THR 69 HB THR 69 -1.814 26.292 21.217 581 HG1 THR 69 HG1 THR 69 -2.332 27.889 23.493 582 HG21 THR 69 3HG2 THR 69 -0.592 26.754 23.915 583 HG22 THR 69 1HG2 THR 69 0.356 26.047 22.608 584 HG23 THR 69 2HG2 THR 69 -1.107 25.240 23.172 585 H ASP 70 H ASP 70 -2.273 29.896 21.835 586 HA ASP 70 HA ASP 70 -3.779 29.922 19.453 587 HB2 ASP 70 1HB ASP 70 -3.458 32.126 21.503 588 HB3 ASP 70 2HB ASP 70 -4.744 32.008 20.304 589 H ARG 71 H ARG 71 -0.697 31.146 20.160 590 HA ARG 71 HA ARG 71 -0.810 33.121 17.998 591 HE ARG 71 HE ARG 71 0.624 36.385 22.470 592 HB2 ARG 71 1HB ARG 71 1.265 32.573 20.123 593 HB3 ARG 71 2HB ARG 71 1.490 33.734 18.821 594 HG2 ARG 71 1HG ARG 71 -0.776 34.704 19.716 595 HG3 ARG 71 2HG ARG 71 -0.299 33.865 21.193 596 HD2 ARG 71 1HD ARG 71 1.880 35.052 21.097 597 HD3 ARG 71 2HD ARG 71 1.282 35.959 19.709 598 HH11 ARG 71 1HH1 ARG 71 -0.457 36.784 19.185 599 HH12 ARG 71 2HH1 ARG 71 -1.506 38.112 19.554 600 HH21 ARG 71 1HH2 ARG 71 -0.754 38.133 22.968 601 HH22 ARG 71 2HH2 ARG 71 -1.674 38.880 21.706 602 H ILE 72 H ILE 72 -0.595 30.023 17.922 603 HA ILE 72 HA ILE 72 1.755 29.903 16.148 604 HB ILE 72 HB ILE 72 0.420 27.656 17.662 605 HG12 ILE 72 1HG1 ILE 72 3.246 28.651 17.980 606 HG13 ILE 72 2HG1 ILE 72 1.916 29.343 18.903 607 HG21 ILE 72 1HG2 ILE 72 2.366 27.700 15.445 608 HG22 ILE 72 2HG2 ILE 72 2.725 26.601 16.776 609 HG23 ILE 72 3HG2 ILE 72 1.197 26.464 15.908 610 HD11 ILE 72 3HD1 ILE 72 2.595 27.781 20.385 611 HD12 ILE 72 1HD1 ILE 72 1.486 26.781 19.449 612 HD13 ILE 72 2HD1 ILE 72 3.220 26.704 19.137 613 H ASN 73 H ASN 73 1.546 29.073 14.105 614 HA ASN 73 HA ASN 73 -1.205 28.770 13.140 615 HB2 ASN 73 1HB ASN 73 0.623 30.382 12.138 616 HB3 ASN 73 2HB ASN 73 1.157 28.923 11.308 617 HD21 ASN 73 2HD2 ASN 73 0.344 30.968 9.802 618 HD22 ASN 73 1HD2 ASN 73 -1.199 30.646 9.094 619 H LEU 74 H LEU 74 -1.857 26.710 13.270 620 HA LEU 74 HA LEU 74 0.010 24.554 12.640 621 HG LEU 74 HG LEU 74 -0.509 24.868 15.269 622 HB2 LEU 74 1HB LEU 74 -2.710 24.650 13.900 623 HB3 LEU 74 2HB LEU 74 -2.008 23.132 13.345 624 HD11 LEU 74 1HD1 LEU 74 -2.874 23.130 15.842 625 HD12 LEU 74 2HD1 LEU 74 -2.473 24.723 16.483 626 HD13 LEU 74 3HD1 LEU 74 -1.580 23.303 17.028 627 HD21 LEU 74 3HD2 LEU 74 0.263 22.674 13.993 628 HD22 LEU 74 1HD2 LEU 74 -0.579 21.901 15.337 629 HD23 LEU 74 2HD2 LEU 74 0.754 23.013 15.654 630 H ASP 75 H ASP 75 -1.211 26.411 10.628 631 HA ASP 75 HA ASP 75 -2.798 24.523 9.043 632 HB2 ASP 75 1HB ASP 75 -2.524 27.481 9.115 633 HB3 ASP 75 2HB ASP 75 -2.845 26.748 7.545 634 H LYS 76 H LYS 76 0.302 26.035 9.212 635 HA LYS 76 HA LYS 76 0.977 25.167 6.495 636 HB2 LYS 76 1HB LYS 76 2.086 27.171 8.391 637 HB3 LYS 76 2HB LYS 76 3.219 26.387 7.299 638 HG2 LYS 76 1HG LYS 76 2.670 28.061 5.917 639 HG3 LYS 76 2HG LYS 76 1.253 27.066 5.572 640 HD2 LYS 76 1HD LYS 76 -0.147 28.385 6.827 641 HD3 LYS 76 2HD LYS 76 1.153 28.949 7.880 642 HE2 LYS 76 1HE LYS 76 0.817 30.841 6.653 643 HE3 LYS 76 2HE LYS 76 2.010 30.043 5.630 644 HZ1 LYS 76 3HZ LYS 76 -0.890 29.665 5.206 645 HZ2 LYS 76 1HZ LYS 76 0.379 29.378 4.125 646 HZ3 LYS 76 2HZ LYS 76 -0.058 30.965 4.514 647 H GLU 77 H GLU 77 2.622 23.716 6.070 648 HA GLU 77 HA GLU 77 2.986 21.573 7.769 649 HB2 GLU 77 1HB GLU 77 4.961 22.501 5.678 650 HB3 GLU 77 2HB GLU 77 4.791 20.870 6.310 651 HG2 GLU 77 1HG GLU 77 3.587 20.565 4.443 652 HG3 GLU 77 2HG GLU 77 2.295 21.269 5.412 653 H VAL 78 H VAL 78 4.945 20.802 8.845 654 HA VAL 78 HA VAL 78 6.390 23.018 10.142 655 HB VAL 78 HB VAL 78 5.771 20.262 11.213 656 HG11 VAL 78 1HG1 VAL 78 6.714 21.283 13.351 657 HG12 VAL 78 2HG1 VAL 78 7.872 20.816 12.104 658 HG13 VAL 78 3HG1 VAL 78 7.432 22.512 12.309 659 HG21 VAL 78 3HG2 VAL 78 3.796 21.444 11.440 660 HG22 VAL 78 1HG2 VAL 78 4.601 21.780 12.973 661 HG23 VAL 78 2HG2 VAL 78 4.622 22.983 11.683 662 H LEU 79 H LEU 79 8.590 22.984 10.260 663 HA LEU 79 HA LEU 79 9.934 20.953 8.629 664 HG LEU 79 HG LEU 79 11.480 23.828 7.022 665 HB2 LEU 79 1HB LEU 79 10.285 23.790 9.075 666 HB3 LEU 79 2HB LEU 79 11.790 22.906 9.319 667 HD11 LEU 79 1HD1 LEU 79 13.023 22.027 7.358 668 HD12 LEU 79 2HD1 LEU 79 12.128 21.725 5.869 669 HD13 LEU 79 3HD1 LEU 79 11.717 20.842 7.339 670 HD21 LEU 79 3HD2 LEU 79 9.664 21.657 6.257 671 HD22 LEU 79 1HD2 LEU 79 9.725 23.334 5.715 672 HD23 LEU 79 2HD2 LEU 79 8.924 22.927 7.233 673 H TYR 80 H TYR 80 11.280 19.499 9.485 674 HA TYR 80 HA TYR 80 12.060 19.838 12.308 675 HD1 TYR 80 HD1 TYR 80 8.870 18.240 11.074 676 HD2 TYR 80 HD2 TYR 80 11.442 17.643 14.410 677 HE1 TYR 80 HE1 TYR 80 6.929 18.347 12.581 678 HE2 TYR 80 HE2 TYR 80 9.509 17.747 15.927 679 HH TYR 80 HH TYR 80 7.008 18.963 15.638 680 HB2 TYR 80 1HB TYR 80 11.155 17.425 10.778 681 HB3 TYR 80 2HB TYR 80 12.226 17.229 12.161 682 HA PRO 81 HA PRO 81 16.294 19.475 11.222 683 HB2 PRO 81 1HB PRO 81 17.290 18.015 13.282 684 HB3 PRO 81 2HB PRO 81 16.782 19.699 13.456 685 HG2 PRO 81 1HG PRO 81 15.306 17.193 14.163 686 HG3 PRO 81 2HG PRO 81 15.448 18.704 15.080 687 HD2 PRO 81 1HD PRO 81 13.260 18.095 13.606 688 HD3 PRO 81 2HD PRO 81 13.827 19.762 13.830 689 H LYS 82 H LYS 82 18.051 17.951 10.726 690 HA LYS 82 HA LYS 82 16.986 15.346 9.855 691 HB2 LYS 82 1HB LYS 82 17.658 16.848 8.017 692 HB3 LYS 82 2HB LYS 82 19.279 16.940 8.693 693 HG2 LYS 82 1HG LYS 82 19.599 15.351 7.094 694 HG3 LYS 82 2HG LYS 82 19.168 14.323 8.463 695 HD2 LYS 82 1HD LYS 82 16.784 14.434 7.644 696 HD3 LYS 82 2HD LYS 82 17.408 15.198 6.180 697 HE2 LYS 82 1HE LYS 82 17.110 12.806 5.847 698 HE3 LYS 82 2HE LYS 82 18.816 13.241 5.762 699 HZ1 LYS 82 3HZ LYS 82 18.201 12.608 8.417 700 HZ2 LYS 82 1HZ LYS 82 19.229 11.784 7.356 701 HZ3 LYS 82 2HZ LYS 82 17.591 11.369 7.440 702 H LEU 83 H LEU 83 17.736 13.634 10.900 703 HA LEU 83 HA LEU 83 20.305 13.857 12.315 704 HG LEU 83 HG LEU 83 19.690 13.675 14.771 705 HB2 LEU 83 1HB LEU 83 17.789 12.351 12.840 706 HB3 LEU 83 2HB LEU 83 19.313 11.688 13.426 707 HD11 LEU 83 1HD1 LEU 83 17.059 14.630 13.652 708 HD12 LEU 83 2HD1 LEU 83 18.647 15.332 13.343 709 HD13 LEU 83 3HD1 LEU 83 17.954 15.399 14.963 710 HD21 LEU 83 3HD2 LEU 83 16.865 12.969 15.390 711 HD22 LEU 83 1HD2 LEU 83 18.259 13.103 16.462 712 HD23 LEU 83 2HD2 LEU 83 18.083 11.693 15.417 713 H LYS 84 H LYS 84 21.765 12.082 12.278 714 HA LYS 84 HA LYS 84 21.316 9.919 10.413 715 HB2 LYS 84 1HB LYS 84 22.204 12.022 9.152 716 HB3 LYS 84 2HB LYS 84 23.741 11.610 9.901 717 HG2 LYS 84 1HG LYS 84 23.572 9.355 8.881 718 HG3 LYS 84 2HG LYS 84 22.116 9.890 8.040 719 HD2 LYS 84 1HD LYS 84 23.352 11.565 6.844 720 HD3 LYS 84 2HD LYS 84 24.801 11.243 7.798 721 HE2 LYS 84 1HE LYS 84 24.432 8.797 6.859 722 HE3 LYS 84 2HE LYS 84 23.586 9.672 5.584 723 HZ1 LYS 84 3HZ LYS 84 25.524 10.204 4.690 724 HZ2 LYS 84 1HZ LYS 84 26.331 9.309 5.878 725 HZ3 LYS 84 2HZ LYS 84 26.029 10.955 6.119 726 H ALA 85 H ALA 85 23.026 8.308 10.478 727 HA ALA 85 HA ALA 85 24.103 8.037 13.134 728 HB1 ALA 85 1HB ALA 85 24.806 5.828 12.418 729 HB2 ALA 85 2HB ALA 85 23.134 6.122 11.941 730 HB3 ALA 85 3HB ALA 85 24.424 6.227 10.743 731 H THR 86 H THR 86 25.615 9.759 13.213 732 HA THR 86 HA THR 86 28.120 9.168 11.782 733 HB THR 86 HB THR 86 27.498 11.998 12.495 734 HG1 THR 86 HG1 THR 86 26.631 12.043 10.198 735 HG21 THR 86 3HG2 THR 86 28.669 11.398 9.899 736 HG22 THR 86 1HG2 THR 86 29.585 10.697 11.232 737 HG23 THR 86 2HG2 THR 86 29.269 12.432 11.196 738 H ASP 87 H ASP 87 29.460 8.422 13.297 739 HA ASP 87 HA ASP 87 29.543 9.809 15.895 740 HB2 ASP 87 1HB ASP 87 29.939 6.941 15.132 741 HB3 ASP 87 2HB ASP 87 30.768 7.576 16.550 742 H GLU 88 H GLU 88 30.933 10.544 13.397 743 HA GLU 88 HA GLU 88 33.665 10.505 14.474 744 HB2 GLU 88 1HB GLU 88 32.884 10.005 11.597 745 HB3 GLU 88 2HB GLU 88 34.529 10.298 12.141 746 HG2 GLU 88 1HG GLU 88 34.621 8.274 13.318 747 HG3 GLU 88 2HG GLU 88 32.873 8.059 13.248 748 H ASP 89 H ASP 89 35.056 12.190 13.361 749 HA ASP 89 HA ASP 89 33.460 14.637 13.038 750 HB2 ASP 89 1HB ASP 89 34.979 14.808 14.885 751 HB3 ASP 89 2HB ASP 89 36.320 14.214 13.910 Start of MODEL 19 1 H1 GLY -2 H GLY -2 12.394 -4.545 -15.088 2 HA2 GLY -2 1HA GLY -2 14.682 -4.194 -15.593 3 HA3 GLY -2 2HA GLY -2 14.393 -3.126 -14.227 4 H SER -1 H SER -1 16.915 -3.839 -14.560 5 HA SER -1 HA SER -1 17.362 -5.912 -12.513 6 HG SER -1 HG SER -1 19.243 -5.695 -16.048 7 HB2 SER -1 1HB SER -1 19.592 -6.285 -13.674 8 HB3 SER -1 2HB SER -1 18.169 -6.831 -14.560 9 H HIS 0 H HIS 0 16.988 -3.581 -11.445 10 HA HIS 0 HA HIS 0 19.673 -2.678 -10.707 11 HD1 HIS 0 HD1 HIS 0 18.333 -0.985 -14.164 12 HD2 HIS 0 HD2 HIS 0 21.323 -0.253 -11.373 13 HE1 HIS 0 HE1 HIS 0 20.370 -0.373 -15.506 14 HB2 HIS 0 1HB HIS 0 17.471 -0.993 -11.821 15 HB3 HIS 0 2HB HIS 0 18.518 -0.303 -10.585 16 H MET 1 H MET 1 19.932 -2.568 -8.571 17 HA MET 1 HA MET 1 17.745 -3.190 -6.829 18 HB2 MET 1 1HB MET 1 20.640 -2.510 -6.324 19 HB3 MET 1 2HB MET 1 19.504 -2.864 -5.029 20 HG2 MET 1 1HG MET 1 19.862 -4.794 -7.277 21 HG3 MET 1 2HG MET 1 21.028 -4.737 -5.958 22 HE1 MET 1 3HE MET 1 19.569 -6.413 -3.111 23 HE2 MET 1 1HE MET 1 20.819 -5.387 -3.815 24 HE3 MET 1 2HE MET 1 19.391 -4.658 -3.080 25 H SER 2 H SER 2 20.077 -0.503 -6.594 26 HA SER 2 HA SER 2 17.908 1.401 -6.263 27 HG SER 2 HG SER 2 17.963 0.583 -2.862 28 HB2 SER 2 1HB SER 2 19.946 0.904 -4.079 29 HB3 SER 2 2HB SER 2 18.808 2.252 -4.112 30 H HIS 3 H HIS 3 18.462 2.900 -7.696 31 HA HIS 3 HA HIS 3 21.015 3.369 -8.706 32 HD1 HIS 3 HD1 HIS 3 16.726 4.837 -9.830 33 HD2 HIS 3 HD2 HIS 3 19.946 2.477 -10.981 34 HE1 HIS 3 HE1 HIS 3 15.804 3.219 -11.521 35 HB2 HIS 3 1HB HIS 3 18.766 5.385 -8.555 36 HB3 HIS 3 2HB HIS 3 20.104 5.379 -9.700 37 H ASP 4 H ASP 4 21.965 5.734 -8.604 38 HA ASP 4 HA ASP 4 22.365 6.341 -5.749 39 HB2 ASP 4 1HB ASP 4 24.302 5.502 -7.305 40 HB3 ASP 4 2HB ASP 4 24.310 7.170 -7.872 41 H GLY 5 H GLY 5 20.726 7.859 -5.526 42 HA2 GLY 5 1HA GLY 5 20.765 10.184 -7.310 43 HA3 GLY 5 2HA GLY 5 19.501 9.789 -6.155 44 H LYS 6 H LYS 6 19.913 12.217 -5.849 45 HA LYS 6 HA LYS 6 21.599 12.492 -3.487 46 HB2 LYS 6 1HB LYS 6 21.937 14.055 -6.027 47 HB3 LYS 6 2HB LYS 6 22.340 14.784 -4.478 48 HG2 LYS 6 1HG LYS 6 23.503 12.196 -5.484 49 HG3 LYS 6 2HG LYS 6 24.272 13.775 -5.661 50 HD2 LYS 6 1HD LYS 6 23.815 13.835 -3.033 51 HD3 LYS 6 2HD LYS 6 23.919 12.086 -3.249 52 HE2 LYS 6 1HE LYS 6 26.000 13.999 -4.282 53 HE3 LYS 6 2HE LYS 6 26.079 13.268 -2.680 54 HZ1 LYS 6 3HZ LYS 6 25.700 11.110 -4.178 55 HZ2 LYS 6 1HZ LYS 6 27.235 11.708 -3.791 56 HZ3 LYS 6 2HZ LYS 6 26.538 12.073 -5.288 57 H GLU 7 H GLU 7 19.934 12.881 -2.121 58 HA GLU 7 HA GLU 7 18.214 15.192 -2.742 59 HB2 GLU 7 1HB GLU 7 17.171 12.812 -2.604 60 HB3 GLU 7 2HB GLU 7 17.377 13.002 -0.868 61 HG2 GLU 7 1HG GLU 7 16.029 15.060 -0.959 62 HG3 GLU 7 2HG GLU 7 15.774 14.790 -2.682 63 H GLU 8 H GLU 8 18.369 16.859 -1.396 64 HA GLU 8 HA GLU 8 20.144 16.805 0.824 65 HB2 GLU 8 1HB GLU 8 18.364 18.828 -0.441 66 HB3 GLU 8 2HB GLU 8 18.898 19.129 1.206 67 HG2 GLU 8 1HG GLU 8 20.877 19.810 0.500 68 HG3 GLU 8 2HG GLU 8 21.124 18.314 -0.398 69 HA PRO 9 HA PRO 9 17.550 15.774 4.208 70 HB2 PRO 9 1HB PRO 9 18.402 17.481 6.140 71 HB3 PRO 9 2HB PRO 9 19.364 16.109 5.578 72 HG2 PRO 9 1HG PRO 9 19.566 18.999 4.824 73 HG3 PRO 9 2HG PRO 9 20.862 17.843 5.183 74 HD2 PRO 9 1HD PRO 9 20.170 18.517 2.653 75 HD3 PRO 9 2HD PRO 9 20.779 16.904 3.079 76 H GLY 10 H GLY 10 16.247 16.957 6.086 77 HA2 GLY 10 1HA GLY 10 14.908 18.898 6.638 78 HA3 GLY 10 2HA GLY 10 14.843 19.276 4.923 79 H ILE 11 H ILE 11 13.320 17.698 7.517 80 HA ILE 11 HA ILE 11 11.531 16.208 5.733 81 HB ILE 11 HB ILE 11 11.662 16.123 8.749 82 HG12 ILE 11 1HG1 ILE 11 12.560 13.698 7.891 83 HG13 ILE 11 2HG1 ILE 11 13.220 14.756 6.648 84 HG21 ILE 11 1HG2 ILE 11 9.514 15.429 8.034 85 HG22 ILE 11 2HG2 ILE 11 10.185 14.483 6.706 86 HG23 ILE 11 3HG2 ILE 11 10.424 13.956 8.372 87 HD11 ILE 11 3HD1 ILE 11 14.574 15.874 8.136 88 HD12 ILE 11 1HD1 ILE 11 13.587 15.435 9.529 89 HD13 ILE 11 2HD1 ILE 11 14.614 14.225 8.759 90 H ALA 12 H ALA 12 9.416 16.705 5.493 91 HA ALA 12 HA ALA 12 8.395 19.014 7.016 92 HB1 ALA 12 1HB ALA 12 7.425 19.922 5.136 93 HB2 ALA 12 2HB ALA 12 8.906 19.235 4.467 94 HB3 ALA 12 3HB ALA 12 7.376 18.378 4.284 95 H LYS 13 H LYS 13 6.838 18.436 8.368 96 HA LYS 13 HA LYS 13 4.830 16.492 7.468 97 HB2 LYS 13 1HB LYS 13 4.869 15.295 9.519 98 HB3 LYS 13 2HB LYS 13 6.543 15.428 8.995 99 HG2 LYS 13 1HG LYS 13 6.830 17.337 10.543 100 HG3 LYS 13 2HG LYS 13 5.183 17.070 11.121 101 HD2 LYS 13 1HD LYS 13 6.650 15.992 12.655 102 HD3 LYS 13 2HD LYS 13 5.876 14.724 11.701 103 HE2 LYS 13 1HE LYS 13 8.433 15.782 10.663 104 HE3 LYS 13 2HE LYS 13 8.522 14.839 12.150 105 HZ1 LYS 13 3HZ LYS 13 6.880 13.668 10.083 106 HZ2 LYS 13 1HZ LYS 13 8.050 12.952 11.073 107 HZ3 LYS 13 2HZ LYS 13 8.519 13.790 9.681 108 H LYS 14 H LYS 14 2.752 16.801 8.280 109 HA LYS 14 HA LYS 14 2.292 19.461 9.421 110 HB2 LYS 14 1HB LYS 14 0.647 17.578 7.777 111 HB3 LYS 14 2HB LYS 14 -0.164 18.770 8.784 112 HG2 LYS 14 1HG LYS 14 2.009 19.679 6.968 113 HG3 LYS 14 2HG LYS 14 0.432 19.281 6.283 114 HD2 LYS 14 1HD LYS 14 0.764 21.151 8.618 115 HD3 LYS 14 2HD LYS 14 0.804 21.704 6.942 116 HE2 LYS 14 1HE LYS 14 -1.472 20.022 7.905 117 HE3 LYS 14 2HE LYS 14 -1.434 21.744 8.281 118 HZ1 LYS 14 3HZ LYS 14 -1.672 20.423 5.664 119 HZ2 LYS 14 1HZ LYS 14 -1.003 21.974 5.755 120 HZ3 LYS 14 2HZ LYS 14 -2.579 21.699 6.305 121 H ILE 15 H ILE 15 2.002 19.580 11.540 122 HA ILE 15 HA ILE 15 0.792 17.283 12.932 123 HB ILE 15 HB ILE 15 1.851 18.165 14.986 124 HG12 ILE 15 1HG1 ILE 15 3.673 19.904 13.422 125 HG13 ILE 15 2HG1 ILE 15 2.048 20.524 13.694 126 HG21 ILE 15 1HG2 ILE 15 2.920 16.461 13.466 127 HG22 ILE 15 2HG2 ILE 15 3.909 17.773 12.828 128 HG23 ILE 15 3HG2 ILE 15 4.021 17.333 14.531 129 HD11 ILE 15 3HD1 ILE 15 4.134 20.849 15.385 130 HD12 ILE 15 1HD1 ILE 15 2.437 20.925 15.858 131 HD13 ILE 15 2HD1 ILE 15 3.348 19.430 16.077 132 H ASN 16 H ASN 16 -0.392 17.937 14.986 133 HA ASN 16 HA ASN 16 -1.820 20.479 14.667 134 HB2 ASN 16 1HB ASN 16 -3.120 17.775 15.059 135 HB3 ASN 16 2HB ASN 16 -3.965 19.316 15.169 136 HD21 ASN 16 2HD2 ASN 16 -4.954 19.959 13.406 137 HD22 ASN 16 1HD2 ASN 16 -4.572 19.482 11.790 138 H SER 17 H SER 17 0.239 19.231 16.526 139 HA SER 17 HA SER 17 -1.091 20.051 19.002 140 HG SER 17 HG SER 17 -2.142 17.573 19.187 141 HB2 SER 17 1HB SER 17 0.665 17.594 18.887 142 HB3 SER 17 2HB SER 17 -0.304 18.165 20.246 143 H VAL 18 H VAL 18 0.067 21.572 19.965 144 HA VAL 18 HA VAL 18 2.642 22.336 19.083 145 HB VAL 18 HB VAL 18 2.628 23.961 20.866 146 HG11 VAL 18 1HG1 VAL 18 1.245 24.503 18.976 147 HG12 VAL 18 2HG1 VAL 18 -0.100 23.574 19.641 148 HG13 VAL 18 3HG1 VAL 18 0.437 25.049 20.445 149 HG21 VAL 18 3HG2 VAL 18 0.735 23.960 22.521 150 HG22 VAL 18 1HG2 VAL 18 0.363 22.322 21.984 151 HG23 VAL 18 2HG2 VAL 18 1.920 22.672 22.737 152 H ASP 19 H ASP 19 1.623 19.926 21.240 153 HA ASP 19 HA ASP 19 3.732 19.910 23.103 154 HB2 ASP 19 1HB ASP 19 1.583 18.624 23.299 155 HB3 ASP 19 2HB ASP 19 2.207 17.505 22.091 156 H ASP 20 H ASP 20 3.388 18.459 19.909 157 HA ASP 20 HA ASP 20 5.943 17.119 20.074 158 HB2 ASP 20 1HB ASP 20 3.788 17.346 18.008 159 HB3 ASP 20 2HB ASP 20 5.391 16.799 17.524 160 H ILE 21 H ILE 21 6.608 19.581 20.624 161 HA ILE 21 HA ILE 21 7.779 20.625 18.131 162 HB ILE 21 HB ILE 21 6.757 22.241 20.469 163 HG12 ILE 21 1HG1 ILE 21 5.882 22.154 17.573 164 HG13 ILE 21 2HG1 ILE 21 5.010 21.434 18.922 165 HG21 ILE 21 1HG2 ILE 21 7.442 24.205 19.140 166 HG22 ILE 21 2HG2 ILE 21 8.808 23.210 19.642 167 HG23 ILE 21 3HG2 ILE 21 8.217 23.123 17.983 168 HD11 ILE 21 3HD1 ILE 21 5.551 24.366 18.523 169 HD12 ILE 21 1HD1 ILE 21 4.014 23.540 18.271 170 HD13 ILE 21 2HD1 ILE 21 4.698 23.655 19.893 171 H ILE 22 H ILE 22 9.898 21.285 18.205 172 HA ILE 22 HA ILE 22 11.304 20.977 20.772 173 HB ILE 22 HB ILE 22 13.245 20.044 19.461 174 HG12 ILE 22 1HG1 ILE 22 11.220 19.312 17.365 175 HG13 ILE 22 2HG1 ILE 22 12.125 20.817 17.245 176 HG21 ILE 22 1HG2 ILE 22 12.569 17.887 19.846 177 HG22 ILE 22 2HG2 ILE 22 11.376 18.774 20.793 178 HG23 ILE 22 3HG2 ILE 22 10.953 18.160 19.195 179 HD11 ILE 22 3HD1 ILE 22 13.353 19.331 15.966 180 HD12 ILE 22 1HD1 ILE 22 14.206 19.336 17.509 181 HD13 ILE 22 2HD1 ILE 22 13.122 18.004 17.104 182 H ILE 23 H ILE 23 13.753 21.733 20.284 183 HA ILE 23 HA ILE 23 13.540 24.532 19.765 184 HB ILE 23 HB ILE 23 15.968 22.804 20.246 185 HG12 ILE 23 1HG1 ILE 23 15.817 24.246 22.449 186 HG13 ILE 23 2HG1 ILE 23 14.123 24.386 21.992 187 HG21 ILE 23 1HG2 ILE 23 16.944 25.130 20.857 188 HG22 ILE 23 2HG2 ILE 23 16.875 24.635 19.167 189 HG23 ILE 23 3HG2 ILE 23 15.665 25.745 19.811 190 HD11 ILE 23 3HD1 ILE 23 14.892 22.491 23.583 191 HD12 ILE 23 1HD1 ILE 23 13.715 22.149 22.315 192 HD13 ILE 23 2HD1 ILE 23 15.406 21.699 22.094 193 H LYS 24 H LYS 24 14.410 21.761 17.889 194 HA LYS 24 HA LYS 24 15.606 23.399 15.786 195 HB2 LYS 24 1HB LYS 24 15.257 20.401 15.964 196 HB3 LYS 24 2HB LYS 24 16.138 21.256 14.704 197 HG2 LYS 24 1HG LYS 24 16.848 21.129 17.627 198 HG3 LYS 24 2HG LYS 24 17.687 20.332 16.294 199 HD2 LYS 24 1HD LYS 24 17.413 23.315 16.663 200 HD3 LYS 24 2HD LYS 24 18.854 22.364 17.029 201 HE2 LYS 24 1HE LYS 24 18.955 21.677 14.657 202 HE3 LYS 24 2HE LYS 24 17.572 22.717 14.321 203 HZ1 LYS 24 3HZ LYS 24 19.897 23.910 15.638 204 HZ2 LYS 24 1HZ LYS 24 18.811 24.595 14.536 205 HZ3 LYS 24 2HZ LYS 24 20.024 23.550 13.990 206 H CYS 25 H CYS 25 12.585 22.763 16.689 207 HA CYS 25 HA CYS 25 11.480 22.033 14.109 208 HG CYS 25 HG CYS 25 8.168 23.648 15.617 209 HB2 CYS 25 1HB CYS 25 10.323 21.076 15.938 210 HB3 CYS 25 2HB CYS 25 10.272 22.605 16.809 211 H GLN 26 H GLN 26 10.421 23.367 12.716 212 HA GLN 26 HA GLN 26 10.331 26.226 13.421 213 HB2 GLN 26 1HB GLN 26 11.075 24.962 10.781 214 HB3 GLN 26 2HB GLN 26 10.755 26.679 10.989 215 HG2 GLN 26 1HG GLN 26 12.590 26.626 12.761 216 HG3 GLN 26 2HG GLN 26 13.014 25.051 12.093 217 HE21 GLN 26 2HE2 GLN 26 12.215 28.302 10.906 218 HE22 GLN 26 1HE2 GLN 26 13.489 28.374 9.742 219 H CYS 27 H CYS 27 8.435 27.227 13.141 220 HA CYS 27 HA CYS 27 6.417 25.993 11.407 221 HG CYS 27 HG CYS 27 4.815 27.592 15.396 222 HB2 CYS 27 1HB CYS 27 4.681 26.398 13.124 223 HB3 CYS 27 2HB CYS 27 5.890 25.234 13.655 224 H TRP 28 H TRP 28 4.346 27.655 11.677 225 HA TRP 28 HA TRP 28 5.467 30.272 10.923 226 HD1 TRP 28 HD1 TRP 28 4.790 27.149 8.696 227 HE1 TRP 28 HE1 TRP 28 6.134 27.492 6.528 228 HE3 TRP 28 HE3 TRP 28 4.409 32.231 8.301 229 HZ2 TRP 28 HZ2 TRP 28 6.929 29.634 4.870 230 HZ3 TRP 28 HZ3 TRP 28 5.491 33.350 6.395 231 HH2 TRP 28 HH2 TRP 28 6.724 32.077 4.716 232 HB2 TRP 28 1HB TRP 28 3.028 28.786 9.962 233 HB3 TRP 28 2HB TRP 28 3.224 30.516 9.696 234 H VAL 29 H VAL 29 4.673 32.120 11.825 235 HA VAL 29 HA VAL 29 2.605 31.795 13.903 236 HB VAL 29 HB VAL 29 4.955 33.694 13.976 237 HG11 VAL 29 1HG1 VAL 29 2.478 33.482 15.518 238 HG12 VAL 29 2HG1 VAL 29 3.939 33.548 16.506 239 HG13 VAL 29 3HG1 VAL 29 3.598 34.833 15.348 240 HG21 VAL 29 3HG2 VAL 29 5.503 31.262 14.294 241 HG22 VAL 29 1HG2 VAL 29 5.906 32.304 15.659 242 HG23 VAL 29 2HG2 VAL 29 4.467 31.287 15.721 243 H GLN 30 H GLN 30 1.095 33.437 14.148 244 HA GLN 30 HA GLN 30 0.631 35.022 11.778 245 HB2 GLN 30 1HB GLN 30 -1.153 33.778 13.113 246 HB3 GLN 30 2HB GLN 30 -1.004 35.058 14.309 247 HG2 GLN 30 1HG GLN 30 -1.540 36.694 12.493 248 HG3 GLN 30 2HG GLN 30 -1.896 35.317 11.451 249 HE21 GLN 30 2HE2 GLN 30 -3.487 33.738 12.392 250 HE22 GLN 30 1HE2 GLN 30 -4.853 34.402 13.216 251 H LYS 31 H LYS 31 1.379 37.006 11.504 252 HA LYS 31 HA LYS 31 1.550 38.814 13.796 253 HB2 LYS 31 1HB LYS 31 3.826 37.835 12.164 254 HB3 LYS 31 2HB LYS 31 3.811 39.553 12.541 255 HG2 LYS 31 1HG LYS 31 3.587 37.374 14.605 256 HG3 LYS 31 2HG LYS 31 5.100 38.156 14.142 257 HD2 LYS 31 1HD LYS 31 4.530 40.149 15.131 258 HD3 LYS 31 2HD LYS 31 2.797 39.864 14.954 259 HE2 LYS 31 1HE LYS 31 3.414 37.859 16.626 260 HE3 LYS 31 2HE LYS 31 4.661 39.017 17.089 261 HZ1 LYS 31 3HZ LYS 31 3.172 40.249 18.153 262 HZ2 LYS 31 1HZ LYS 31 2.061 38.989 17.949 263 HZ3 LYS 31 2HZ LYS 31 2.110 40.262 16.836 264 H ASN 32 H ASN 32 0.810 40.791 13.333 265 HA ASN 32 HA ASN 32 -0.176 42.479 12.163 266 HB2 ASN 32 1HB ASN 32 2.351 42.596 11.543 267 HB3 ASN 32 2HB ASN 32 1.821 42.011 9.969 268 HD21 ASN 32 2HD2 ASN 32 1.845 44.658 12.184 269 HD22 ASN 32 1HD2 ASN 32 1.180 45.837 11.110 270 H ASP 33 H ASP 33 -1.648 40.295 11.858 271 HA ASP 33 HA ASP 33 -3.162 39.209 10.546 272 HB2 ASP 33 1HB ASP 33 -2.902 41.583 8.698 273 HB3 ASP 33 2HB ASP 33 -4.305 40.542 8.922 274 H GLU 34 H GLU 34 -0.312 38.734 10.034 275 HA GLU 34 HA GLU 34 -0.607 37.558 7.368 276 HB2 GLU 34 1HB GLU 34 1.583 39.401 8.269 277 HB3 GLU 34 2HB GLU 34 1.906 38.167 7.059 278 HG2 GLU 34 1HG GLU 34 0.421 39.122 5.522 279 HG3 GLU 34 2HG GLU 34 -0.347 40.119 6.757 280 H GLU 35 H GLU 35 1.492 36.129 6.977 281 HA GLU 35 HA GLU 35 1.951 34.601 9.454 282 HB2 GLU 35 1HB GLU 35 1.620 33.585 6.628 283 HB3 GLU 35 2HB GLU 35 2.145 32.589 7.978 284 HG2 GLU 35 1HG GLU 35 -0.139 32.155 7.743 285 HG3 GLU 35 2HG GLU 35 -0.017 33.248 9.121 286 H ARG 36 H ARG 36 4.001 34.369 10.059 287 HA ARG 36 HA ARG 36 6.113 34.724 8.038 288 HE ARG 36 HE ARG 36 5.991 37.692 6.994 289 HB2 ARG 36 1HB ARG 36 6.292 35.685 10.895 290 HB3 ARG 36 2HB ARG 36 7.442 35.977 9.597 291 HG2 ARG 36 1HG ARG 36 4.920 36.938 8.741 292 HG3 ARG 36 2HG ARG 36 5.207 37.538 10.376 293 HD2 ARG 36 1HD ARG 36 6.292 39.168 9.229 294 HD3 ARG 36 2HD ARG 36 7.616 38.010 9.347 295 HH11 ARG 36 1HH1 ARG 36 8.721 39.333 8.399 296 HH12 ARG 36 2HH1 ARG 36 9.476 39.657 6.874 297 HH21 ARG 36 1HH2 ARG 36 6.975 38.113 4.980 298 HH22 ARG 36 2HH2 ARG 36 8.482 38.964 4.930 299 H LEU 37 H LEU 37 7.714 33.250 8.051 300 HA LEU 37 HA LEU 37 7.410 30.859 9.530 301 HG LEU 37 HG LEU 37 9.727 29.479 9.412 302 HB2 LEU 37 1HB LEU 37 8.480 31.115 7.269 303 HB3 LEU 37 2HB LEU 37 9.889 31.781 8.092 304 HD11 LEU 37 1HD1 LEU 37 9.140 27.687 7.774 305 HD12 LEU 37 2HD1 LEU 37 8.417 28.933 6.757 306 HD13 LEU 37 3HD1 LEU 37 7.765 28.620 8.365 307 HD21 LEU 37 3HD2 LEU 37 10.892 29.142 6.727 308 HD22 LEU 37 1HD2 LEU 37 11.627 28.953 8.319 309 HD23 LEU 37 2HD2 LEU 37 11.429 30.562 7.625 310 H ALA 38 H ALA 38 7.728 30.750 11.655 311 HA ALA 38 HA ALA 38 10.021 32.190 12.813 312 HB1 ALA 38 1HB ALA 38 8.826 32.606 14.694 313 HB2 ALA 38 2HB ALA 38 7.477 32.467 13.565 314 HB3 ALA 38 3HB ALA 38 7.918 31.098 14.585 315 H GLU 39 H GLU 39 11.604 31.091 13.823 316 HA GLU 39 HA GLU 39 11.399 28.167 13.840 317 HB2 GLU 39 1HB GLU 39 13.309 28.949 12.637 318 HB3 GLU 39 2HB GLU 39 13.761 30.040 13.939 319 HG2 GLU 39 1HG GLU 39 14.556 28.321 15.277 320 HG3 GLU 39 2HG GLU 39 13.663 27.087 14.390 321 H ILE 40 H ILE 40 11.299 27.036 15.674 322 HA ILE 40 HA ILE 40 10.885 28.293 18.160 323 HB ILE 40 HB ILE 40 11.600 25.403 17.649 324 HG12 ILE 40 1HG1 ILE 40 9.608 26.197 16.384 325 HG13 ILE 40 2HG1 ILE 40 9.215 24.978 17.592 326 HG21 ILE 40 1HG2 ILE 40 10.994 26.918 20.057 327 HG22 ILE 40 2HG2 ILE 40 9.935 25.526 19.837 328 HG23 ILE 40 3HG2 ILE 40 11.684 25.305 19.877 329 HD11 ILE 40 3HD1 ILE 40 7.897 26.369 18.733 330 HD12 ILE 40 1HD1 ILE 40 9.009 27.726 18.560 331 HD13 ILE 40 2HD1 ILE 40 7.897 27.324 17.251 332 H LEU 41 H LEU 41 12.173 28.555 19.944 333 HA LEU 41 HA LEU 41 15.046 28.022 19.559 334 HG LEU 41 HG LEU 41 14.270 30.678 18.490 335 HB2 LEU 41 1HB LEU 41 13.611 30.333 20.816 336 HB3 LEU 41 2HB LEU 41 15.280 29.961 21.242 337 HD11 LEU 41 1HD1 LEU 41 15.899 32.637 18.972 338 HD12 LEU 41 2HD1 LEU 41 15.631 32.214 20.663 339 HD13 LEU 41 3HD1 LEU 41 14.269 32.679 19.644 340 HD21 LEU 41 3HD2 LEU 41 16.713 29.412 19.414 341 HD22 LEU 41 1HD2 LEU 41 17.023 30.919 18.551 342 HD23 LEU 41 2HD2 LEU 41 16.102 29.631 17.774 343 H SER 42 H SER 42 12.349 28.023 21.807 344 HA SER 42 HA SER 42 13.513 25.913 23.341 345 HG SER 42 HG SER 42 15.489 27.013 25.076 346 HB2 SER 42 1HB SER 42 14.291 28.460 24.126 347 HB3 SER 42 2HB SER 42 12.964 28.075 25.222 348 H ILE 43 H ILE 43 12.094 25.464 25.339 349 HA ILE 43 HA ILE 43 9.297 26.180 24.759 350 HB ILE 43 HB ILE 43 10.228 23.445 25.637 351 HG12 ILE 43 1HG1 ILE 43 9.170 24.296 22.935 352 HG13 ILE 43 2HG1 ILE 43 10.872 24.023 23.291 353 HG21 ILE 43 1HG2 ILE 43 7.689 23.225 24.612 354 HG22 ILE 43 2HG2 ILE 43 8.109 23.285 26.323 355 HG23 ILE 43 3HG2 ILE 43 7.633 24.759 25.480 356 HD11 ILE 43 3HD1 ILE 43 8.708 22.107 22.810 357 HD12 ILE 43 1HD1 ILE 43 10.440 21.972 22.508 358 HD13 ILE 43 2HD1 ILE 43 9.803 21.690 24.128 359 H ASN 44 H ASN 44 7.967 26.507 26.504 360 HA ASN 44 HA ASN 44 9.053 26.052 29.185 361 HB2 ASN 44 1HB ASN 44 9.583 28.401 28.472 362 HB3 ASN 44 2HB ASN 44 7.852 28.699 28.353 363 HD21 ASN 44 2HD2 ASN 44 9.178 30.304 29.967 364 HD22 ASN 44 1HD2 ASN 44 8.897 29.920 31.628 365 H THR 45 H THR 45 7.575 24.581 29.823 366 HA THR 45 HA THR 45 4.728 25.187 29.436 367 HB THR 45 HB THR 45 4.325 22.831 30.078 368 HG1 THR 45 HG1 THR 45 5.969 21.521 30.619 369 HG21 THR 45 3HG2 THR 45 6.271 22.301 28.013 370 HG22 THR 45 1HG2 THR 45 5.403 23.800 27.688 371 HG23 THR 45 2HG2 THR 45 4.511 22.296 27.919 372 H ARG 46 H ARG 46 5.445 26.867 31.225 373 HA ARG 46 HA ARG 46 5.224 25.667 33.888 374 HE ARG 46 HE ARG 46 5.063 31.423 33.895 375 HB2 ARG 46 1HB ARG 46 6.094 27.664 34.770 376 HB3 ARG 46 2HB ARG 46 7.008 27.401 33.291 377 HG2 ARG 46 1HG ARG 46 5.590 29.013 32.124 378 HG3 ARG 46 2HG ARG 46 4.675 29.277 33.609 379 HD2 ARG 46 1HD ARG 46 7.091 29.766 34.574 380 HD3 ARG 46 2HD ARG 46 7.424 30.142 32.884 381 HH11 ARG 46 1HH1 ARG 46 8.527 31.633 33.616 382 HH12 ARG 46 2HH1 ARG 46 8.565 33.358 33.769 383 HH21 ARG 46 1HH2 ARG 46 5.101 33.695 34.097 384 HH22 ARG 46 2HH2 ARG 46 6.616 34.530 34.043 385 H LYS 47 H LYS 47 3.364 27.253 31.530 386 HA LYS 47 HA LYS 47 1.253 27.796 33.514 387 HB2 LYS 47 1HB LYS 47 2.448 29.632 31.815 388 HB3 LYS 47 2HB LYS 47 0.956 29.214 30.983 389 HG2 LYS 47 1HG LYS 47 0.116 30.868 32.250 390 HG3 LYS 47 2HG LYS 47 0.001 29.590 33.463 391 HD2 LYS 47 1HD LYS 47 2.631 30.708 33.523 392 HD3 LYS 47 2HD LYS 47 1.446 32.013 33.609 393 HE2 LYS 47 1HE LYS 47 1.465 31.534 35.811 394 HE3 LYS 47 2HE LYS 47 0.355 30.250 35.336 395 HZ1 LYS 47 3HZ LYS 47 3.163 29.579 35.136 396 HZ2 LYS 47 1HZ LYS 47 1.873 28.673 35.750 397 HZ3 LYS 47 2HZ LYS 47 2.611 29.852 36.712 398 H ALA 48 H ALA 48 -0.928 28.092 32.056 399 HA ALA 48 HA ALA 48 -1.108 25.848 30.182 400 HB1 ALA 48 1HB ALA 48 -1.892 24.632 31.933 401 HB2 ALA 48 2HB ALA 48 -2.464 26.053 32.809 402 HB3 ALA 48 3HB ALA 48 -3.400 25.415 31.457 403 HA PRO 49 HA PRO 49 -1.671 25.414 28.408 404 HB2 PRO 49 1HB PRO 49 -1.156 26.487 25.968 405 HB3 PRO 49 2HB PRO 49 -2.701 25.734 26.380 406 HG2 PRO 49 1HG PRO 49 -1.965 28.635 26.316 407 HG3 PRO 49 2HG PRO 49 -3.438 27.842 25.728 408 HD2 PRO 49 1HD PRO 49 -3.334 29.147 28.098 409 HD3 PRO 49 2HD PRO 49 -4.369 27.729 27.834 410 HA PRO 50 HA PRO 50 2.522 26.629 28.929 411 HB2 PRO 50 1HB PRO 50 3.814 25.134 27.067 412 HB3 PRO 50 2HB PRO 50 3.114 24.444 28.536 413 HG2 PRO 50 1HG PRO 50 2.004 24.507 25.756 414 HG3 PRO 50 2HG PRO 50 2.014 23.175 26.927 415 HD2 PRO 50 1HD PRO 50 -0.168 24.720 26.497 416 HD3 PRO 50 2HD PRO 50 0.202 24.009 28.081 417 H LYS 51 H LYS 51 4.415 27.612 27.885 418 HA LYS 51 HA LYS 51 3.640 29.192 25.522 419 HB2 LYS 51 1HB LYS 51 5.361 29.872 27.898 420 HB3 LYS 51 2HB LYS 51 5.436 30.800 26.405 421 HG2 LYS 51 1HG LYS 51 3.108 31.397 26.610 422 HG3 LYS 51 2HG LYS 51 2.943 30.376 28.041 423 HD2 LYS 51 1HD LYS 51 4.325 31.792 29.330 424 HD3 LYS 51 2HD LYS 51 4.907 32.651 27.903 425 HE2 LYS 51 1HE LYS 51 1.991 32.674 28.531 426 HE3 LYS 51 2HE LYS 51 3.077 33.709 29.458 427 HZ1 LYS 51 3HZ LYS 51 3.908 34.441 27.155 428 HZ2 LYS 51 1HZ LYS 51 2.430 35.049 27.710 429 HZ3 LYS 51 2HZ LYS 51 2.456 33.793 26.578 430 H PHE 52 H PHE 52 5.393 29.816 24.068 431 HA PHE 52 HA PHE 52 7.727 28.046 24.134 432 HD1 PHE 52 HD2 PHE 52 4.017 27.613 23.144 433 HD2 PHE 52 HD1 PHE 52 7.487 25.253 22.429 434 HE1 PHE 52 HE2 PHE 52 2.778 25.595 23.810 435 HE2 PHE 52 HE1 PHE 52 6.252 23.231 23.093 436 HZ PHE 52 HZ PHE 52 3.895 23.401 23.786 437 HB2 PHE 52 1HB PHE 52 5.939 28.402 21.718 438 HB3 PHE 52 2HB PHE 52 7.446 27.493 21.755 439 H TYR 53 H TYR 53 9.537 28.810 22.978 440 HA TYR 53 HA TYR 53 9.477 31.705 22.527 441 HD1 TYR 53 HD2 TYR 53 10.237 33.141 23.821 442 HD2 TYR 53 HD1 TYR 53 13.886 31.425 22.465 443 HE1 TYR 53 HE2 TYR 53 11.308 35.353 23.924 444 HE2 TYR 53 HE1 TYR 53 14.968 33.631 22.565 445 HH TYR 53 HH TYR 53 14.094 36.035 24.207 446 HB2 TYR 53 1HB TYR 53 11.162 30.432 24.085 447 HB3 TYR 53 2HB TYR 53 12.002 30.091 22.576 448 H VAL 54 H VAL 54 9.306 32.400 20.512 449 HA VAL 54 HA VAL 54 10.393 30.729 18.341 450 HB VAL 54 HB VAL 54 8.763 31.949 16.861 451 HG11 VAL 54 1HG1 VAL 54 7.208 30.513 18.961 452 HG12 VAL 54 2HG1 VAL 54 7.124 30.376 17.204 453 HG13 VAL 54 3HG1 VAL 54 8.470 29.649 18.083 454 HG21 VAL 54 3HG2 VAL 54 6.801 32.968 18.007 455 HG22 VAL 54 1HG2 VAL 54 7.692 32.865 19.526 456 HG23 VAL 54 2HG2 VAL 54 8.298 33.877 18.215 457 H HIS 55 H HIS 55 11.360 31.808 16.544 458 HA HIS 55 HA HIS 55 12.165 34.590 17.030 459 HD1 HIS 55 HD1 HIS 55 14.013 35.936 15.855 460 HD2 HIS 55 HD2 HIS 55 16.238 32.499 15.154 461 HE1 HIS 55 HE1 HIS 55 15.849 36.633 14.285 462 HB2 HIS 55 1HB HIS 55 14.104 33.523 17.754 463 HB3 HIS 55 2HB HIS 55 13.940 32.215 16.586 464 H TYR 56 H TYR 56 11.889 35.847 15.307 465 HA TYR 56 HA TYR 56 10.937 34.742 12.845 466 HD1 TYR 56 HD2 TYR 56 8.477 36.274 12.321 467 HD2 TYR 56 HD1 TYR 56 10.634 37.747 15.679 468 HE1 TYR 56 HE2 TYR 56 6.370 36.493 13.571 469 HE2 TYR 56 HE1 TYR 56 8.534 37.968 16.939 470 HH TYR 56 HH TYR 56 5.758 36.498 16.157 471 HB2 TYR 56 1HB TYR 56 11.690 37.593 13.524 472 HB3 TYR 56 2HB TYR 56 10.789 37.079 12.102 473 H VAL 57 H VAL 57 12.306 33.752 11.510 474 HA VAL 57 HA VAL 57 15.074 34.177 11.372 475 HB VAL 57 HB VAL 57 13.255 33.023 9.253 476 HG11 VAL 57 1HG1 VAL 57 15.254 33.476 8.146 477 HG12 VAL 57 2HG1 VAL 57 16.237 33.090 9.560 478 HG13 VAL 57 3HG1 VAL 57 15.439 31.799 8.660 479 HG21 VAL 57 3HG2 VAL 57 12.935 31.448 10.823 480 HG22 VAL 57 1HG2 VAL 57 14.567 30.931 10.402 481 HG23 VAL 57 2HG2 VAL 57 14.308 31.991 11.788 482 H ASN 58 H ASN 58 12.401 35.615 9.600 483 HA ASN 58 HA ASN 58 13.935 36.886 7.596 484 HB2 ASN 58 1HB ASN 58 11.325 36.514 7.862 485 HB3 ASN 58 2HB ASN 58 11.399 38.122 8.578 486 HD21 ASN 58 2HD2 ASN 58 12.819 36.439 5.790 487 HD22 ASN 58 1HD2 ASN 58 12.485 37.694 4.650 488 H TYR 59 H TYR 59 13.377 37.606 10.916 489 HA TYR 59 HA TYR 59 14.639 40.246 10.565 490 HD1 TYR 59 HD2 TYR 59 13.279 42.617 11.154 491 HD2 TYR 59 HD1 TYR 59 10.727 39.215 11.276 492 HE1 TYR 59 HE2 TYR 59 11.589 43.845 9.856 493 HE2 TYR 59 HE1 TYR 59 9.031 40.433 9.977 494 HH TYR 59 HH TYR 59 9.382 43.841 9.237 495 HB2 TYR 59 1HB TYR 59 12.664 39.279 12.632 496 HB3 TYR 59 2HB TYR 59 13.591 40.763 12.823 497 H ASN 60 H ASN 60 15.528 40.864 12.973 498 HA ASN 60 HA ASN 60 17.753 39.081 13.333 499 HB2 ASN 60 1HB ASN 60 17.042 41.492 15.012 500 HB3 ASN 60 2HB ASN 60 18.624 40.739 14.836 501 HD21 ASN 60 2HD2 ASN 60 18.740 40.382 12.116 502 HD22 ASN 60 1HD2 ASN 60 18.778 41.923 11.336 503 H LYS 61 H LYS 61 18.434 38.624 15.700 504 HA LYS 61 HA LYS 61 16.462 36.901 16.821 505 HB2 LYS 61 1HB LYS 61 18.136 36.311 18.440 506 HB3 LYS 61 2HB LYS 61 18.919 36.462 16.873 507 HG2 LYS 61 1HG LYS 61 20.413 37.727 17.929 508 HG3 LYS 61 2HG LYS 61 19.175 38.985 17.911 509 HD2 LYS 61 1HD LYS 61 18.381 37.737 20.102 510 HD3 LYS 61 2HD LYS 61 20.068 37.221 20.137 511 HE2 LYS 61 1HE LYS 61 20.541 39.168 21.107 512 HE3 LYS 61 2HE LYS 61 20.177 39.940 19.564 513 HZ1 LYS 61 3HZ LYS 61 18.884 40.380 21.921 514 HZ2 LYS 61 1HZ LYS 61 17.821 39.366 21.081 515 HZ3 LYS 61 2HZ LYS 61 18.326 40.823 20.387 516 H ARG 62 H ARG 62 16.984 40.196 17.105 517 HA ARG 62 HA ARG 62 16.201 40.483 19.863 518 HE ARG 62 HE ARG 62 14.357 43.942 17.956 519 HB2 ARG 62 1HB ARG 62 16.133 42.909 19.325 520 HB3 ARG 62 2HB ARG 62 17.666 42.149 18.919 521 HG2 ARG 62 1HG ARG 62 17.407 42.489 16.704 522 HG3 ARG 62 2HG ARG 62 15.658 42.257 16.762 523 HD2 ARG 62 1HD ARG 62 17.117 44.703 17.756 524 HD3 ARG 62 2HD ARG 62 16.312 44.573 16.193 525 HH11 ARG 62 1HH1 ARG 62 16.567 46.618 17.679 526 HH12 ARG 62 2HH1 ARG 62 15.482 47.758 18.402 527 HH21 ARG 62 1HH2 ARG 62 12.919 45.434 18.909 528 HH22 ARG 62 2HH2 ARG 62 13.407 47.084 19.102 529 H LEU 63 H LEU 63 14.535 39.575 17.206 530 HA LEU 63 HA LEU 63 12.094 41.049 17.883 531 HG LEU 63 HG LEU 63 10.267 40.874 16.205 532 HB2 LEU 63 1HB LEU 63 13.140 40.513 15.470 533 HB3 LEU 63 2HB LEU 63 12.108 39.097 15.663 534 HD11 LEU 63 1HD1 LEU 63 12.395 42.475 14.825 535 HD12 LEU 63 2HD1 LEU 63 11.480 42.870 16.279 536 HD13 LEU 63 3HD1 LEU 63 10.687 42.898 14.704 537 HD21 LEU 63 3HD2 LEU 63 10.597 41.123 13.390 538 HD22 LEU 63 1HD2 LEU 63 9.499 40.073 14.286 539 HD23 LEU 63 2HD2 LEU 63 11.120 39.510 13.876 540 H ASP 64 H ASP 64 13.576 37.951 18.154 541 HA ASP 64 HA ASP 64 11.439 36.217 18.315 542 HB2 ASP 64 1HB ASP 64 12.838 34.807 19.714 543 HB3 ASP 64 2HB ASP 64 13.820 35.543 18.451 544 H GLU 65 H GLU 65 10.385 35.270 20.211 545 HA GLU 65 HA GLU 65 10.330 36.599 22.711 546 HB2 GLU 65 1HB GLU 65 8.060 37.551 22.580 547 HB3 GLU 65 2HB GLU 65 9.176 38.346 21.479 548 HG2 GLU 65 1HG GLU 65 8.280 37.003 19.628 549 HG3 GLU 65 2HG GLU 65 7.129 36.266 20.742 550 H TRP 66 H TRP 66 8.064 35.954 23.837 551 HA TRP 66 HA TRP 66 7.879 33.055 23.442 552 HD1 TRP 66 HD1 TRP 66 9.427 35.913 25.967 553 HE1 TRP 66 HE1 TRP 66 11.653 35.013 26.894 554 HE3 TRP 66 HE3 TRP 66 8.351 30.915 25.951 555 HZ2 TRP 66 HZ2 TRP 66 12.801 32.515 27.533 556 HZ3 TRP 66 HZ3 TRP 66 10.068 29.337 26.736 557 HH2 TRP 66 HH2 TRP 66 12.247 30.123 27.510 558 HB2 TRP 66 1HB TRP 66 6.983 34.745 25.788 559 HB3 TRP 66 2HB TRP 66 6.949 32.985 25.710 560 H ILE 67 H ILE 67 6.272 32.451 22.147 561 HA ILE 67 HA ILE 67 3.743 33.947 22.225 562 HB ILE 67 HB ILE 67 3.217 32.858 20.080 563 HG12 ILE 67 1HG1 ILE 67 6.055 31.843 20.044 564 HG13 ILE 67 2HG1 ILE 67 4.720 30.845 20.610 565 HG21 ILE 67 1HG2 ILE 67 5.196 33.940 18.788 566 HG22 ILE 67 2HG2 ILE 67 4.125 34.955 19.753 567 HG23 ILE 67 3HG2 ILE 67 5.703 34.487 20.386 568 HD11 ILE 67 3HD1 ILE 67 5.203 30.333 18.316 569 HD12 ILE 67 1HD1 ILE 67 3.631 31.125 18.417 570 HD13 ILE 67 2HD1 ILE 67 5.041 32.029 17.864 571 H THR 68 H THR 68 1.740 32.755 22.153 572 HA THR 68 HA THR 68 1.912 30.267 23.697 573 HB THR 68 HB THR 68 -0.707 30.802 23.787 574 HG1 THR 68 HG1 THR 68 -0.969 32.686 22.811 575 HG21 THR 68 3HG2 THR 68 0.778 30.568 25.721 576 HG22 THR 68 1HG2 THR 68 -0.310 31.940 25.919 577 HG23 THR 68 2HG2 THR 68 1.374 32.208 25.467 578 H THR 69 H THR 69 -0.067 28.772 23.259 579 HA THR 69 HA THR 69 0.250 27.586 20.774 580 HB THR 69 HB THR 69 -1.685 26.234 21.267 581 HG1 THR 69 HG1 THR 69 -2.836 26.941 23.339 582 HG21 THR 69 3HG2 THR 69 -0.389 26.875 23.911 583 HG22 THR 69 1HG2 THR 69 0.414 25.956 22.639 584 HG23 THR 69 2HG2 THR 69 -1.060 25.333 23.380 585 H ASP 70 H ASP 70 -2.249 29.857 21.858 586 HA ASP 70 HA ASP 70 -3.787 29.826 19.503 587 HB2 ASP 70 1HB ASP 70 -4.348 30.816 21.826 588 HB3 ASP 70 2HB ASP 70 -3.512 32.257 21.253 589 H ARG 71 H ARG 71 -0.711 31.123 20.142 590 HA ARG 71 HA ARG 71 -0.883 33.021 17.916 591 HE ARG 71 HE ARG 71 -0.448 35.979 22.052 592 HB2 ARG 71 1HB ARG 71 1.243 32.583 20.019 593 HB3 ARG 71 2HB ARG 71 1.391 33.732 18.696 594 HG2 ARG 71 1HG ARG 71 -0.864 34.657 19.617 595 HG3 ARG 71 2HG ARG 71 -0.376 33.822 21.093 596 HD2 ARG 71 1HD ARG 71 1.823 35.041 20.916 597 HD3 ARG 71 2HD ARG 71 1.095 36.005 19.632 598 HH11 ARG 71 1HH1 ARG 71 2.198 37.493 20.371 599 HH12 ARG 71 2HH1 ARG 71 2.074 38.982 21.247 600 HH21 ARG 71 1HH2 ARG 71 -0.621 37.935 23.213 601 HH22 ARG 71 2HH2 ARG 71 0.470 39.232 22.864 602 H ILE 72 H ILE 72 -0.660 29.953 17.870 603 HA ILE 72 HA ILE 72 1.720 29.797 16.140 604 HB ILE 72 HB ILE 72 0.341 27.581 17.659 605 HG12 ILE 72 1HG1 ILE 72 3.153 28.634 17.986 606 HG13 ILE 72 2HG1 ILE 72 1.797 29.206 18.952 607 HG21 ILE 72 1HG2 ILE 72 2.569 27.557 15.650 608 HG22 ILE 72 2HG2 ILE 72 2.395 26.282 16.855 609 HG23 ILE 72 3HG2 ILE 72 1.104 26.576 15.691 610 HD11 ILE 72 3HD1 ILE 72 2.703 27.616 20.325 611 HD12 ILE 72 1HD1 ILE 72 1.478 26.674 19.476 612 HD13 ILE 72 2HD1 ILE 72 3.169 26.567 18.986 613 H ASN 73 H ASN 73 1.536 28.974 14.097 614 HA ASN 73 HA ASN 73 -1.200 28.665 13.093 615 HB2 ASN 73 1HB ASN 73 0.379 30.343 12.052 616 HB3 ASN 73 2HB ASN 73 1.329 28.979 11.469 617 HD21 ASN 73 2HD2 ASN 73 -1.119 31.093 10.747 618 HD22 ASN 73 1HD2 ASN 73 -1.835 30.242 9.425 619 H LEU 74 H LEU 74 -1.837 26.598 13.252 620 HA LEU 74 HA LEU 74 0.039 24.450 12.620 621 HG LEU 74 HG LEU 74 -0.763 24.916 15.388 622 HB2 LEU 74 1HB LEU 74 -2.694 24.508 13.864 623 HB3 LEU 74 2HB LEU 74 -1.922 23.005 13.363 624 HD11 LEU 74 1HD1 LEU 74 -1.728 22.309 16.297 625 HD12 LEU 74 2HD1 LEU 74 -3.001 23.407 15.766 626 HD13 LEU 74 3HD1 LEU 74 -1.884 23.903 17.037 627 HD21 LEU 74 3HD2 LEU 74 0.244 22.363 15.764 628 HD22 LEU 74 1HD2 LEU 74 1.084 23.727 15.027 629 HD23 LEU 74 2HD2 LEU 74 0.227 22.566 14.012 630 H ASP 75 H ASP 75 -1.223 26.298 10.615 631 HA ASP 75 HA ASP 75 -2.800 24.389 9.045 632 HB2 ASP 75 1HB ASP 75 -2.707 27.304 9.263 633 HB3 ASP 75 2HB ASP 75 -2.720 26.738 7.595 634 H LYS 76 H LYS 76 0.291 25.904 9.203 635 HA LYS 76 HA LYS 76 0.951 25.072 6.471 636 HB2 LYS 76 1HB LYS 76 2.065 27.053 8.385 637 HB3 LYS 76 2HB LYS 76 3.201 26.276 7.291 638 HG2 LYS 76 1HG LYS 76 2.658 27.970 5.928 639 HG3 LYS 76 2HG LYS 76 1.252 26.969 5.558 640 HD2 LYS 76 1HD LYS 76 -0.041 28.640 6.254 641 HD3 LYS 76 2HD LYS 76 0.589 28.387 7.883 642 HE2 LYS 76 1HE LYS 76 1.107 30.597 7.580 643 HE3 LYS 76 2HE LYS 76 2.585 29.842 6.984 644 HZ1 LYS 76 3HZ LYS 76 0.439 31.165 5.482 645 HZ2 LYS 76 1HZ LYS 76 1.311 29.925 4.730 646 HZ3 LYS 76 2HZ LYS 76 2.116 31.297 5.304 647 H GLU 77 H GLU 77 2.592 23.625 6.017 648 HA GLU 77 HA GLU 77 2.969 21.473 7.723 649 HB2 GLU 77 1HB GLU 77 4.869 22.361 5.547 650 HB3 GLU 77 2HB GLU 77 4.712 20.738 6.204 651 HG2 GLU 77 1HG GLU 77 2.192 21.119 5.402 652 HG3 GLU 77 2HG GLU 77 3.022 22.170 4.256 653 H VAL 78 H VAL 78 4.682 20.778 9.021 654 HA VAL 78 HA VAL 78 6.281 22.963 10.147 655 HB VAL 78 HB VAL 78 5.687 20.215 11.254 656 HG11 VAL 78 1HG1 VAL 78 6.673 21.198 13.357 657 HG12 VAL 78 2HG1 VAL 78 7.823 20.848 12.066 658 HG13 VAL 78 3HG1 VAL 78 7.297 22.507 12.355 659 HG21 VAL 78 3HG2 VAL 78 4.496 21.681 13.004 660 HG22 VAL 78 1HG2 VAL 78 4.553 22.941 11.771 661 HG23 VAL 78 2HG2 VAL 78 3.706 21.428 11.447 662 H LEU 79 H LEU 79 8.478 22.935 10.198 663 HA LEU 79 HA LEU 79 9.784 20.864 8.585 664 HG LEU 79 HG LEU 79 9.175 23.615 7.391 665 HB2 LEU 79 1HB LEU 79 10.588 23.654 9.365 666 HB3 LEU 79 2HB LEU 79 11.707 22.519 8.613 667 HD11 LEU 79 1HD1 LEU 79 12.012 24.015 6.485 668 HD12 LEU 79 2HD1 LEU 79 11.198 25.126 7.585 669 HD13 LEU 79 3HD1 LEU 79 10.562 24.870 5.960 670 HD21 LEU 79 3HD2 LEU 79 10.156 22.464 5.329 671 HD22 LEU 79 1HD2 LEU 79 9.366 21.446 6.534 672 HD23 LEU 79 2HD2 LEU 79 11.127 21.530 6.467 673 H TYR 80 H TYR 80 11.123 19.424 9.465 674 HA TYR 80 HA TYR 80 12.130 19.934 12.187 675 HD1 TYR 80 HD1 TYR 80 11.209 18.895 14.436 676 HD2 TYR 80 HD2 TYR 80 8.674 17.773 11.209 677 HE1 TYR 80 HE1 TYR 80 9.238 19.402 15.817 678 HE2 TYR 80 HE2 TYR 80 6.695 18.278 12.580 679 HH TYR 80 HH TYR 80 6.677 18.512 15.764 680 HB2 TYR 80 1HB TYR 80 10.969 17.401 11.035 681 HB3 TYR 80 2HB TYR 80 11.976 17.401 12.478 682 HA PRO 81 HA PRO 81 16.165 19.008 10.734 683 HB2 PRO 81 1HB PRO 81 17.254 17.764 12.888 684 HB3 PRO 81 2HB PRO 81 16.919 19.499 12.848 685 HG2 PRO 81 1HG PRO 81 15.316 17.289 14.076 686 HG3 PRO 81 2HG PRO 81 15.694 18.893 14.729 687 HD2 PRO 81 1HD PRO 81 13.309 18.310 13.589 688 HD3 PRO 81 2HD PRO 81 14.042 19.924 13.495 689 H LYS 82 H LYS 82 17.579 17.331 10.048 690 HA LYS 82 HA LYS 82 16.250 14.719 9.818 691 HB2 LYS 82 1HB LYS 82 16.747 15.876 7.699 692 HB3 LYS 82 2HB LYS 82 18.453 15.915 8.125 693 HG2 LYS 82 1HG LYS 82 18.715 13.951 7.147 694 HG3 LYS 82 2HG LYS 82 17.626 13.231 8.336 695 HD2 LYS 82 1HD LYS 82 15.748 13.522 6.945 696 HD3 LYS 82 2HD LYS 82 16.608 14.639 5.883 697 HE2 LYS 82 1HE LYS 82 17.177 11.693 6.200 698 HE3 LYS 82 2HE LYS 82 16.347 12.447 4.839 699 HZ1 LYS 82 3HZ LYS 82 18.529 12.184 4.121 700 HZ2 LYS 82 1HZ LYS 82 19.193 12.661 5.602 701 HZ3 LYS 82 2HZ LYS 82 18.468 13.808 4.591 702 H LEU 83 H LEU 83 17.028 13.087 10.967 703 HA LEU 83 HA LEU 83 19.850 13.180 11.811 704 HG LEU 83 HG LEU 83 18.386 13.488 15.186 705 HB2 LEU 83 1HB LEU 83 17.365 12.488 13.280 706 HB3 LEU 83 2HB LEU 83 18.822 11.571 13.659 707 HD11 LEU 83 1HD1 LEU 83 20.706 14.398 15.052 708 HD12 LEU 83 2HD1 LEU 83 20.909 13.512 13.541 709 HD13 LEU 83 3HD1 LEU 83 20.612 12.637 15.043 710 HD21 LEU 83 3HD2 LEU 83 19.333 15.374 13.102 711 HD22 LEU 83 1HD2 LEU 83 18.299 15.655 14.503 712 HD23 LEU 83 2HD2 LEU 83 17.637 14.889 13.059 713 H LYS 84 H LYS 84 21.055 11.311 11.690 714 HA LYS 84 HA LYS 84 19.762 9.022 10.356 715 HB2 LYS 84 1HB LYS 84 21.405 10.496 8.994 716 HB3 LYS 84 2HB LYS 84 22.657 9.722 9.957 717 HG2 LYS 84 1HG LYS 84 22.040 7.558 9.129 718 HG3 LYS 84 2HG LYS 84 20.642 8.233 8.289 719 HD2 LYS 84 1HD LYS 84 21.952 9.263 6.672 720 HD3 LYS 84 2HD LYS 84 23.396 9.241 7.688 721 HE2 LYS 84 1HE LYS 84 22.179 6.653 6.850 722 HE3 LYS 84 2HE LYS 84 23.121 7.569 5.675 723 HZ1 LYS 84 3HZ LYS 84 24.001 6.101 8.003 724 HZ2 LYS 84 1HZ LYS 84 24.722 7.621 7.825 725 HZ3 LYS 84 2HZ LYS 84 24.836 6.480 6.582 726 H ALA 85 H ALA 85 19.456 7.847 12.240 727 HA ALA 85 HA ALA 85 21.930 6.857 13.493 728 HB1 ALA 85 1HB ALA 85 20.347 8.474 14.848 729 HB2 ALA 85 2HB ALA 85 19.442 6.984 15.115 730 HB3 ALA 85 3HB ALA 85 21.128 7.094 15.619 731 H THR 86 H THR 86 21.589 4.734 14.620 732 HA THR 86 HA THR 86 19.605 3.089 13.190 733 HB THR 86 HB THR 86 21.818 2.641 12.264 734 HG1 THR 86 HG1 THR 86 21.804 0.378 12.668 735 HG21 THR 86 3HG2 THR 86 23.003 1.316 14.530 736 HG22 THR 86 1HG2 THR 86 22.691 3.011 14.902 737 HG23 THR 86 2HG2 THR 86 23.672 2.581 13.501 738 H ASP 87 H ASP 87 18.959 1.126 14.299 739 HA ASP 87 HA ASP 87 19.347 1.241 17.215 740 HB2 ASP 87 1HB ASP 87 16.748 0.638 15.785 741 HB3 ASP 87 2HB ASP 87 16.996 0.617 17.529 742 H GLU 88 H GLU 88 20.367 -0.535 17.842 743 HA GLU 88 HA GLU 88 19.643 -3.091 16.569 744 HB2 GLU 88 1HB GLU 88 21.992 -3.821 16.951 745 HB3 GLU 88 2HB GLU 88 21.844 -2.503 15.797 746 HG2 GLU 88 1HG GLU 88 22.594 -0.912 17.410 747 HG3 GLU 88 2HG GLU 88 22.542 -2.116 18.696 748 H ASP 89 H ASP 89 18.536 -1.883 18.956 749 HA ASP 89 HA ASP 89 19.474 -3.809 20.982 750 HB2 ASP 89 1HB ASP 89 18.764 -2.266 22.703 751 HB3 ASP 89 2HB ASP 89 19.834 -1.420 21.588 Start of MODEL 20 1 H1 GLY -2 H GLY -2 21.143 7.232 15.086 2 HA2 GLY -2 1HA GLY -2 23.692 7.250 16.571 3 HA3 GLY -2 2HA GLY -2 23.187 5.982 15.464 4 H SER -1 H SER -1 22.576 9.230 14.515 5 HA SER -1 HA SER -1 24.650 8.983 12.458 6 HG SER -1 HG SER -1 23.770 10.064 10.295 7 HB2 SER -1 1HB SER -1 22.279 9.365 11.755 8 HB3 SER -1 2HB SER -1 22.335 10.929 12.567 9 H HIS 0 H HIS 0 26.315 9.560 14.023 10 HA HIS 0 HA HIS 0 26.488 12.479 14.371 11 HD1 HIS 0 HD1 HIS 0 29.326 11.467 17.713 12 HD2 HIS 0 HD2 HIS 0 26.635 14.301 16.304 13 HE1 HIS 0 HE1 HIS 0 30.131 13.669 18.623 14 HB2 HIS 0 1HB HIS 0 26.040 11.276 16.529 15 HB3 HIS 0 2HB HIS 0 27.576 10.441 16.321 16 H MET 1 H MET 1 28.209 9.429 13.945 17 HA MET 1 HA MET 1 30.642 10.894 13.222 18 HB2 MET 1 1HB MET 1 30.492 8.813 14.833 19 HB3 MET 1 2HB MET 1 30.511 7.910 13.325 20 HG2 MET 1 1HG MET 1 32.739 7.981 13.918 21 HG3 MET 1 2HG MET 1 32.595 9.305 12.764 22 HE1 MET 1 3HE MET 1 33.295 9.612 17.282 23 HE2 MET 1 1HE MET 1 31.710 9.074 16.724 24 HE3 MET 1 2HE MET 1 33.151 8.143 16.316 25 H SER 2 H SER 2 28.597 8.249 11.989 26 HA SER 2 HA SER 2 29.804 8.444 9.365 27 HG SER 2 HG SER 2 27.118 6.002 10.987 28 HB2 SER 2 1HB SER 2 28.413 6.560 8.776 29 HB3 SER 2 2HB SER 2 29.103 6.257 10.370 30 H HIS 3 H HIS 3 28.819 9.166 7.499 31 HA HIS 3 HA HIS 3 26.118 10.213 7.591 32 HD1 HIS 3 HD1 HIS 3 25.275 12.923 8.779 33 HD2 HIS 3 HD2 HIS 3 29.204 12.075 9.829 34 HE1 HIS 3 HE1 HIS 3 25.484 13.591 11.195 35 HB2 HIS 3 1HB HIS 3 28.510 12.003 7.132 36 HB3 HIS 3 2HB HIS 3 26.850 12.462 6.764 37 H ASP 4 H ASP 4 25.323 9.198 5.863 38 HA ASP 4 HA ASP 4 26.643 9.628 3.285 39 HB2 ASP 4 1HB ASP 4 25.653 6.934 4.246 40 HB3 ASP 4 2HB ASP 4 26.264 7.284 2.632 41 H GLY 5 H GLY 5 25.098 8.699 1.484 42 HA2 GLY 5 1HA GLY 5 22.626 8.242 1.182 43 HA3 GLY 5 2HA GLY 5 22.397 9.694 2.146 44 H LYS 6 H LYS 6 21.237 9.531 -0.312 45 HA LYS 6 HA LYS 6 22.889 11.350 -1.941 46 HB2 LYS 6 1HB LYS 6 21.664 10.501 -3.916 47 HB3 LYS 6 2HB LYS 6 22.592 9.246 -3.105 48 HG2 LYS 6 1HG LYS 6 20.692 8.073 -3.334 49 HG3 LYS 6 2HG LYS 6 20.223 8.942 -1.870 50 HD2 LYS 6 1HD LYS 6 18.783 10.323 -2.988 51 HD3 LYS 6 2HD LYS 6 19.701 10.242 -4.493 52 HE2 LYS 6 1HE LYS 6 18.122 7.932 -3.378 53 HE3 LYS 6 2HE LYS 6 17.463 9.095 -4.527 54 HZ1 LYS 6 3HZ LYS 6 18.563 8.159 -6.213 55 HZ2 LYS 6 1HZ LYS 6 18.748 6.822 -5.193 56 HZ3 LYS 6 2HZ LYS 6 19.989 7.963 -5.325 57 H GLU 7 H GLU 7 20.933 11.905 0.237 58 HA GLU 7 HA GLU 7 19.392 13.897 -1.216 59 HB2 GLU 7 1HB GLU 7 17.937 11.870 -1.052 60 HB3 GLU 7 2HB GLU 7 18.039 11.991 0.699 61 HG2 GLU 7 1HG GLU 7 16.045 13.036 0.283 62 HG3 GLU 7 2HG GLU 7 17.154 14.405 0.315 63 H GLU 8 H GLU 8 19.374 15.778 -0.158 64 HA GLU 8 HA GLU 8 20.771 16.080 2.287 65 HB2 GLU 8 1HB GLU 8 19.236 17.883 0.475 66 HB3 GLU 8 2HB GLU 8 19.581 18.446 2.105 67 HG2 GLU 8 1HG GLU 8 21.592 17.587 0.039 68 HG3 GLU 8 2HG GLU 8 21.270 19.233 0.580 69 HA PRO 9 HA PRO 9 17.686 15.648 5.375 70 HB2 PRO 9 1HB PRO 9 18.304 17.649 7.104 71 HB3 PRO 9 2HB PRO 9 19.294 16.196 6.923 72 HG2 PRO 9 1HG PRO 9 19.691 18.917 5.742 73 HG3 PRO 9 2HG PRO 9 20.886 17.829 6.473 74 HD2 PRO 9 1HD PRO 9 20.586 18.075 3.793 75 HD3 PRO 9 2HD PRO 9 21.077 16.552 4.564 76 H GLY 10 H GLY 10 16.142 17.109 6.804 77 HA2 GLY 10 1HA GLY 10 14.801 19.129 6.834 78 HA3 GLY 10 2HA GLY 10 15.003 19.223 5.091 79 H ILE 11 H ILE 11 13.114 18.004 7.668 80 HA ILE 11 HA ILE 11 11.481 16.418 5.805 81 HB ILE 11 HB ILE 11 11.509 16.374 8.825 82 HG12 ILE 11 1HG1 ILE 11 12.194 13.947 7.312 83 HG13 ILE 11 2HG1 ILE 11 13.345 15.265 7.121 84 HG21 ILE 11 1HG2 ILE 11 9.423 15.599 8.553 85 HG22 ILE 11 2HG2 ILE 11 9.657 15.293 6.833 86 HG23 ILE 11 3HG2 ILE 11 10.216 14.116 8.021 87 HD11 ILE 11 3HD1 ILE 11 12.652 14.969 9.883 88 HD12 ILE 11 1HD1 ILE 11 13.176 13.423 9.216 89 HD13 ILE 11 2HD1 ILE 11 14.226 14.835 9.101 90 H ALA 12 H ALA 12 9.323 16.834 5.534 91 HA ALA 12 HA ALA 12 8.267 19.234 6.882 92 HB1 ALA 12 1HB ALA 12 7.026 19.741 4.817 93 HB2 ALA 12 2HB ALA 12 8.773 19.761 4.574 94 HB3 ALA 12 3HB ALA 12 7.822 18.381 4.024 95 H LYS 13 H LYS 13 6.694 18.672 8.226 96 HA LYS 13 HA LYS 13 4.639 16.803 7.297 97 HB2 LYS 13 1HB LYS 13 4.668 15.501 9.275 98 HB3 LYS 13 2HB LYS 13 6.344 15.621 8.759 99 HG2 LYS 13 1HG LYS 13 6.617 17.499 10.395 100 HG3 LYS 13 2HG LYS 13 5.003 17.114 10.998 101 HD2 LYS 13 1HD LYS 13 6.626 16.025 12.396 102 HD3 LYS 13 2HD LYS 13 5.789 14.796 11.445 103 HE2 LYS 13 1HE LYS 13 8.249 15.916 10.258 104 HE3 LYS 13 2HE LYS 13 8.465 14.923 11.698 105 HZ1 LYS 13 3HZ LYS 13 8.108 13.100 10.516 106 HZ2 LYS 13 1HZ LYS 13 8.111 14.043 9.111 107 HZ3 LYS 13 2HZ LYS 13 6.653 13.697 9.895 108 H LYS 14 H LYS 14 2.585 17.169 8.123 109 HA LYS 14 HA LYS 14 2.244 19.779 9.412 110 HB2 LYS 14 1HB LYS 14 0.137 18.052 8.106 111 HB3 LYS 14 2HB LYS 14 -0.023 19.735 8.589 112 HG2 LYS 14 1HG LYS 14 1.639 20.374 6.913 113 HG3 LYS 14 2HG LYS 14 1.786 18.684 6.423 114 HD2 LYS 14 1HD LYS 14 -0.863 18.963 6.196 115 HD3 LYS 14 2HD LYS 14 -0.383 20.637 5.909 116 HE2 LYS 14 1HE LYS 14 -0.332 19.780 3.774 117 HE3 LYS 14 2HE LYS 14 1.344 19.556 4.275 118 HZ1 LYS 14 3HZ LYS 14 0.972 17.472 3.566 119 HZ2 LYS 14 1HZ LYS 14 -0.708 17.578 3.738 120 HZ3 LYS 14 2HZ LYS 14 0.262 17.262 5.087 121 H ILE 15 H ILE 15 1.928 19.813 11.529 122 HA ILE 15 HA ILE 15 0.720 17.463 12.821 123 HB ILE 15 HB ILE 15 1.702 18.308 14.920 124 HG12 ILE 15 1HG1 ILE 15 3.289 20.271 13.286 125 HG13 ILE 15 2HG1 ILE 15 1.740 20.729 13.985 126 HG21 ILE 15 1HG2 ILE 15 4.187 18.112 14.017 127 HG22 ILE 15 2HG2 ILE 15 3.099 16.726 14.069 128 HG23 ILE 15 3HG2 ILE 15 3.346 17.596 12.556 129 HD11 ILE 15 3HD1 ILE 15 4.163 20.964 15.206 130 HD12 ILE 15 1HD1 ILE 15 2.603 20.937 16.028 131 HD13 ILE 15 2HD1 ILE 15 3.550 19.456 15.884 132 H ASN 16 H ASN 16 -0.367 18.185 15.016 133 HA ASN 16 HA ASN 16 -1.974 20.600 14.618 134 HB2 ASN 16 1HB ASN 16 -2.992 17.789 14.787 135 HB3 ASN 16 2HB ASN 16 -3.959 19.095 15.466 136 HD21 ASN 16 2HD2 ASN 16 -2.607 17.734 12.564 137 HD22 ASN 16 1HD2 ASN 16 -3.585 18.625 11.452 138 H SER 17 H SER 17 0.166 19.380 16.488 139 HA SER 17 HA SER 17 -1.109 20.326 18.949 140 HG SER 17 HG SER 17 -1.098 17.203 17.806 141 HB2 SER 17 1HB SER 17 0.636 17.870 18.994 142 HB3 SER 17 2HB SER 17 -0.451 18.468 20.247 143 H VAL 18 H VAL 18 0.152 21.658 20.096 144 HA VAL 18 HA VAL 18 2.698 22.437 19.065 145 HB VAL 18 HB VAL 18 2.771 24.049 20.860 146 HG11 VAL 18 1HG1 VAL 18 0.653 25.228 20.466 147 HG12 VAL 18 2HG1 VAL 18 1.330 24.575 18.973 148 HG13 VAL 18 3HG1 VAL 18 -0.023 23.761 19.759 149 HG21 VAL 18 3HG2 VAL 18 0.322 23.633 22.213 150 HG22 VAL 18 1HG2 VAL 18 1.204 22.106 22.233 151 HG23 VAL 18 2HG2 VAL 18 1.957 23.568 22.870 152 H ASP 19 H ASP 19 1.676 20.068 21.283 153 HA ASP 19 HA ASP 19 3.846 19.991 23.064 154 HB2 ASP 19 1HB ASP 19 1.844 18.757 23.570 155 HB3 ASP 19 2HB ASP 19 1.998 17.805 22.096 156 H ASP 20 H ASP 20 3.372 18.571 19.876 157 HA ASP 20 HA ASP 20 5.886 17.147 19.963 158 HB2 ASP 20 1HB ASP 20 3.681 17.457 17.964 159 HB3 ASP 20 2HB ASP 20 5.253 16.877 17.422 160 H ILE 21 H ILE 21 6.645 19.581 20.516 161 HA ILE 21 HA ILE 21 7.789 20.606 18.002 162 HB ILE 21 HB ILE 21 6.853 22.235 20.366 163 HG12 ILE 21 1HG1 ILE 21 5.955 22.253 17.476 164 HG13 ILE 21 2HG1 ILE 21 5.085 21.471 18.792 165 HG21 ILE 21 1HG2 ILE 21 8.913 23.166 19.549 166 HG22 ILE 21 2HG2 ILE 21 8.342 23.074 17.884 167 HG23 ILE 21 3HG2 ILE 21 7.578 24.188 19.018 168 HD11 ILE 21 3HD1 ILE 21 5.650 24.416 18.546 169 HD12 ILE 21 1HD1 ILE 21 4.105 23.619 18.248 170 HD13 ILE 21 2HD1 ILE 21 4.788 23.640 19.874 171 H ILE 22 H ILE 22 9.928 21.196 18.033 172 HA ILE 22 HA ILE 22 11.378 20.826 20.568 173 HB ILE 22 HB ILE 22 13.267 19.863 19.197 174 HG12 ILE 22 1HG1 ILE 22 11.082 19.446 17.147 175 HG13 ILE 22 2HG1 ILE 22 12.364 20.643 16.999 176 HG21 ILE 22 1HG2 ILE 22 12.541 17.710 19.553 177 HG22 ILE 22 2HG2 ILE 22 11.430 18.620 20.575 178 HG23 ILE 22 3HG2 ILE 22 10.905 18.053 18.990 179 HD11 ILE 22 3HD1 ILE 22 13.588 19.107 15.992 180 HD12 ILE 22 1HD1 ILE 22 13.650 18.216 17.513 181 HD13 ILE 22 2HD1 ILE 22 12.388 17.861 16.333 182 H ILE 23 H ILE 23 13.838 21.521 20.032 183 HA ILE 23 HA ILE 23 13.691 24.333 19.565 184 HB ILE 23 HB ILE 23 16.071 22.518 19.960 185 HG12 ILE 23 1HG1 ILE 23 16.051 23.940 22.170 186 HG13 ILE 23 2HG1 ILE 23 14.358 24.192 21.760 187 HG21 ILE 23 1HG2 ILE 23 16.939 24.357 18.797 188 HG22 ILE 23 2HG2 ILE 23 15.887 25.496 19.636 189 HG23 ILE 23 3HG2 ILE 23 17.225 24.733 20.496 190 HD11 ILE 23 3HD1 ILE 23 15.575 21.457 21.934 191 HD12 ILE 23 1HD1 ILE 23 14.890 22.285 23.332 192 HD13 ILE 23 2HD1 ILE 23 13.870 21.905 21.944 193 H LYS 24 H LYS 24 14.472 21.569 17.625 194 HA LYS 24 HA LYS 24 15.637 23.215 15.515 195 HB2 LYS 24 1HB LYS 24 15.203 20.224 15.617 196 HB3 LYS 24 2HB LYS 24 16.114 21.096 14.391 197 HG2 LYS 24 1HG LYS 24 16.813 20.871 17.311 198 HG3 LYS 24 2HG LYS 24 17.613 20.048 15.969 199 HD2 LYS 24 1HD LYS 24 17.468 23.042 16.317 200 HD3 LYS 24 2HD LYS 24 18.849 22.041 16.769 201 HE2 LYS 24 1HE LYS 24 18.862 21.245 14.354 202 HE3 LYS 24 2HE LYS 24 17.742 22.565 14.022 203 HZ1 LYS 24 3HZ LYS 24 20.584 22.645 14.565 204 HZ2 LYS 24 1HZ LYS 24 19.678 23.836 15.355 205 HZ3 LYS 24 2HZ LYS 24 19.621 23.709 13.669 206 H CYS 25 H CYS 25 12.627 22.651 16.488 207 HA CYS 25 HA CYS 25 11.428 21.980 13.935 208 HG CYS 25 HG CYS 25 7.690 22.219 16.019 209 HB2 CYS 25 1HB CYS 25 10.294 21.053 15.797 210 HB3 CYS 25 2HB CYS 25 10.310 22.582 16.667 211 H GLN 26 H GLN 26 10.358 23.355 12.586 212 HA GLN 26 HA GLN 26 10.383 26.212 13.306 213 HB2 GLN 26 1HB GLN 26 10.979 24.981 10.610 214 HB3 GLN 26 2HB GLN 26 10.815 26.706 10.911 215 HG2 GLN 26 1HG GLN 26 12.763 26.753 12.248 216 HG3 GLN 26 2HG GLN 26 12.842 24.993 12.315 217 HE21 GLN 26 2HE2 GLN 26 12.375 27.256 9.629 218 HE22 GLN 26 1HE2 GLN 26 13.720 26.700 8.699 219 H CYS 27 H CYS 27 8.478 27.203 13.180 220 HA CYS 27 HA CYS 27 6.392 26.048 11.461 221 HG CYS 27 HG CYS 27 5.858 28.739 14.428 222 HB2 CYS 27 1HB CYS 27 4.719 26.403 13.183 223 HB3 CYS 27 2HB CYS 27 6.003 25.379 13.815 224 H TRP 28 H TRP 28 4.378 27.804 11.850 225 HA TRP 28 HA TRP 28 5.561 30.384 11.054 226 HD1 TRP 28 HD1 TRP 28 4.941 27.195 9.077 227 HE1 TRP 28 HE1 TRP 28 6.268 27.305 6.875 228 HE3 TRP 28 HE3 TRP 28 4.458 32.187 8.086 229 HZ2 TRP 28 HZ2 TRP 28 7.013 29.250 4.970 230 HZ3 TRP 28 HZ3 TRP 28 5.508 33.093 6.054 231 HH2 TRP 28 HH2 TRP 28 6.760 31.653 4.530 232 HB2 TRP 28 1HB TRP 28 3.062 29.006 10.066 233 HB3 TRP 28 2HB TRP 28 3.424 30.697 9.734 234 H VAL 29 H VAL 29 4.681 32.266 11.861 235 HA VAL 29 HA VAL 29 2.644 31.936 13.968 236 HB VAL 29 HB VAL 29 4.925 33.917 13.964 237 HG11 VAL 29 1HG1 VAL 29 3.573 35.040 15.346 238 HG12 VAL 29 2HG1 VAL 29 2.470 33.674 15.521 239 HG13 VAL 29 3HG1 VAL 29 3.925 33.766 16.514 240 HG21 VAL 29 3HG2 VAL 29 5.832 32.595 15.812 241 HG22 VAL 29 1HG2 VAL 29 4.524 31.428 15.620 242 HG23 VAL 29 2HG2 VAL 29 5.715 31.637 14.336 243 H GLN 30 H GLN 30 1.062 33.504 14.154 244 HA GLN 30 HA GLN 30 0.581 35.053 11.755 245 HB2 GLN 30 1HB GLN 30 -1.240 33.770 12.815 246 HB3 GLN 30 2HB GLN 30 -1.093 34.766 14.256 247 HG2 GLN 30 1HG GLN 30 -1.528 36.738 12.635 248 HG3 GLN 30 2HG GLN 30 -2.153 35.488 11.561 249 HE21 GLN 30 2HE2 GLN 30 -2.377 36.400 14.987 250 HE22 GLN 30 1HE2 GLN 30 -4.087 36.187 15.107 251 H LYS 31 H LYS 31 1.337 37.041 11.529 252 HA LYS 31 HA LYS 31 1.225 38.884 13.793 253 HB2 LYS 31 1HB LYS 31 3.711 38.382 12.149 254 HB3 LYS 31 2HB LYS 31 3.515 39.716 13.277 255 HG2 LYS 31 1HG LYS 31 3.314 36.821 14.069 256 HG3 LYS 31 2HG LYS 31 4.802 37.766 14.156 257 HD2 LYS 31 1HD LYS 31 2.295 38.745 15.473 258 HD3 LYS 31 2HD LYS 31 3.319 37.548 16.270 259 HE2 LYS 31 1HE LYS 31 5.229 39.241 15.693 260 HE3 LYS 31 2HE LYS 31 3.901 40.395 15.582 261 HZ1 LYS 31 3HZ LYS 31 3.335 40.046 17.819 262 HZ2 LYS 31 1HZ LYS 31 5.021 40.183 17.813 263 HZ3 LYS 31 2HZ LYS 31 4.297 38.660 17.948 264 H ASN 32 H ASN 32 0.677 40.926 13.232 265 HA ASN 32 HA ASN 32 -0.187 42.600 11.950 266 HB2 ASN 32 1HB ASN 32 2.234 41.736 10.390 267 HB3 ASN 32 2HB ASN 32 1.199 43.033 9.798 268 HD21 ASN 32 2HD2 ASN 32 3.245 44.232 10.032 269 HD22 ASN 32 1HD2 ASN 32 3.595 44.952 11.562 270 H ASP 33 H ASP 33 -1.739 40.441 11.731 271 HA ASP 33 HA ASP 33 -3.272 39.351 10.445 272 HB2 ASP 33 1HB ASP 33 -3.785 41.812 10.016 273 HB3 ASP 33 2HB ASP 33 -2.931 41.621 8.487 274 H GLU 34 H GLU 34 -0.405 38.818 9.959 275 HA GLU 34 HA GLU 34 -0.729 37.508 7.361 276 HB2 GLU 34 1HB GLU 34 1.464 39.397 8.141 277 HB3 GLU 34 2HB GLU 34 1.799 38.083 7.022 278 HG2 GLU 34 1HG GLU 34 0.544 38.990 5.356 279 HG3 GLU 34 2HG GLU 34 -0.553 39.803 6.471 280 H GLU 35 H GLU 35 1.421 36.088 7.043 281 HA GLU 35 HA GLU 35 1.936 34.717 9.598 282 HB2 GLU 35 1HB GLU 35 2.019 32.586 8.217 283 HB3 GLU 35 2HB GLU 35 0.427 33.289 8.471 284 HG2 GLU 35 1HG GLU 35 1.552 34.367 6.082 285 HG3 GLU 35 2HG GLU 35 1.666 32.609 6.039 286 H ARG 36 H ARG 36 4.017 34.517 10.083 287 HA ARG 36 HA ARG 36 5.987 34.682 7.897 288 HE ARG 36 HE ARG 36 5.793 38.136 7.038 289 HB2 ARG 36 1HB ARG 36 6.473 35.655 10.708 290 HB3 ARG 36 2HB ARG 36 7.444 35.958 9.274 291 HG2 ARG 36 1HG ARG 36 4.945 36.967 8.627 292 HG3 ARG 36 2HG ARG 36 5.182 37.418 10.316 293 HD2 ARG 36 1HD ARG 36 6.315 39.160 9.469 294 HD3 ARG 36 2HD ARG 36 7.620 37.992 9.261 295 HH11 ARG 36 1HH1 ARG 36 8.693 39.418 8.473 296 HH12 ARG 36 2HH1 ARG 36 9.335 39.999 6.973 297 HH21 ARG 36 1HH2 ARG 36 6.627 38.896 5.056 298 HH22 ARG 36 2HH2 ARG 36 8.158 39.703 5.030 299 H LEU 37 H LEU 37 7.861 33.421 8.084 300 HA LEU 37 HA LEU 37 7.487 30.934 9.444 301 HG LEU 37 HG LEU 37 9.858 29.633 9.391 302 HB2 LEU 37 1HB LEU 37 8.589 31.198 7.222 303 HB3 LEU 37 2HB LEU 37 9.955 31.948 8.044 304 HD11 LEU 37 1HD1 LEU 37 9.484 27.836 7.676 305 HD12 LEU 37 2HD1 LEU 37 8.700 29.057 6.674 306 HD13 LEU 37 3HD1 LEU 37 8.027 28.646 8.251 307 HD21 LEU 37 3HD2 LEU 37 11.180 29.430 6.757 308 HD22 LEU 37 1HD2 LEU 37 11.833 29.202 8.379 309 HD23 LEU 37 2HD2 LEU 37 11.601 30.831 7.744 310 H ALA 38 H ALA 38 7.770 30.774 11.569 311 HA ALA 38 HA ALA 38 10.020 32.221 12.803 312 HB1 ALA 38 1HB ALA 38 7.990 31.114 14.603 313 HB2 ALA 38 2HB ALA 38 8.738 32.712 14.576 314 HB3 ALA 38 3HB ALA 38 7.391 32.350 13.496 315 H GLU 39 H GLU 39 11.560 31.120 13.894 316 HA GLU 39 HA GLU 39 11.397 28.196 13.818 317 HB2 GLU 39 1HB GLU 39 13.356 29.040 12.742 318 HB3 GLU 39 2HB GLU 39 13.722 30.096 14.099 319 HG2 GLU 39 1HG GLU 39 14.442 28.329 15.437 320 HG3 GLU 39 2HG GLU 39 13.656 27.121 14.423 321 H ILE 40 H ILE 40 11.692 26.925 15.622 322 HA ILE 40 HA ILE 40 11.017 28.156 18.139 323 HB ILE 40 HB ILE 40 11.657 25.263 17.553 324 HG12 ILE 40 1HG1 ILE 40 9.734 26.162 16.246 325 HG13 ILE 40 2HG1 ILE 40 9.269 24.908 17.391 326 HG21 ILE 40 1HG2 ILE 40 11.643 25.078 19.774 327 HG22 ILE 40 2HG2 ILE 40 11.034 26.719 19.984 328 HG23 ILE 40 3HG2 ILE 40 9.910 25.393 19.688 329 HD11 ILE 40 3HD1 ILE 40 8.050 27.332 17.094 330 HD12 ILE 40 1HD1 ILE 40 7.920 26.283 18.506 331 HD13 ILE 40 2HD1 ILE 40 9.094 27.599 18.490 332 H LEU 41 H LEU 41 12.270 28.314 19.959 333 HA LEU 41 HA LEU 41 15.138 27.740 19.602 334 HG LEU 41 HG LEU 41 15.333 31.414 19.858 335 HB2 LEU 41 1HB LEU 41 13.766 29.918 21.165 336 HB3 LEU 41 2HB LEU 41 15.487 29.560 21.290 337 HD11 LEU 41 1HD1 LEU 41 16.507 29.147 19.030 338 HD12 LEU 41 2HD1 LEU 41 16.563 30.658 18.125 339 HD13 LEU 41 3HD1 LEU 41 15.391 29.415 17.691 340 HD21 LEU 41 3HD2 LEU 41 13.675 30.497 17.723 341 HD22 LEU 41 1HD2 LEU 41 13.480 31.918 18.750 342 HD23 LEU 41 2HD2 LEU 41 12.785 30.373 19.242 343 H SER 42 H SER 42 12.601 28.027 22.085 344 HA SER 42 HA SER 42 13.618 25.643 23.393 345 HG SER 42 HG SER 42 15.236 26.901 26.061 346 HB2 SER 42 1HB SER 42 14.484 28.124 24.303 347 HB3 SER 42 2HB SER 42 13.161 27.712 25.393 348 H ILE 43 H ILE 43 12.191 25.081 25.322 349 HA ILE 43 HA ILE 43 9.414 25.904 24.774 350 HB ILE 43 HB ILE 43 10.321 23.158 25.645 351 HG12 ILE 43 1HG1 ILE 43 9.220 24.048 22.972 352 HG13 ILE 43 2HG1 ILE 43 10.919 23.716 23.292 353 HG21 ILE 43 1HG2 ILE 43 8.166 23.546 26.524 354 HG22 ILE 43 2HG2 ILE 43 7.621 24.333 25.044 355 HG23 ILE 43 3HG2 ILE 43 7.922 22.595 25.059 356 HD11 ILE 43 3HD1 ILE 43 10.370 21.702 22.463 357 HD12 ILE 43 1HD1 ILE 43 9.846 21.407 24.121 358 HD13 ILE 43 2HD1 ILE 43 8.668 21.866 22.891 359 H ASN 44 H ASN 44 8.054 26.202 26.516 360 HA ASN 44 HA ASN 44 9.168 25.816 29.200 361 HB2 ASN 44 1HB ASN 44 9.570 28.177 28.457 362 HB3 ASN 44 2HB ASN 44 7.825 28.381 28.326 363 HD21 ASN 44 2HD2 ASN 44 7.497 29.840 29.903 364 HD22 ASN 44 1HD2 ASN 44 7.834 29.564 31.575 365 H THR 45 H THR 45 7.776 24.276 29.869 366 HA THR 45 HA THR 45 4.902 24.684 29.459 367 HB THR 45 HB THR 45 4.665 22.343 30.265 368 HG1 THR 45 HG1 THR 45 6.329 21.574 31.315 369 HG21 THR 45 3HG2 THR 45 6.660 21.959 28.164 370 HG22 THR 45 1HG2 THR 45 5.494 23.231 27.799 371 HG23 THR 45 2HG2 THR 45 4.933 21.599 28.164 372 H ARG 46 H ARG 46 5.329 26.506 31.124 373 HA ARG 46 HA ARG 46 4.968 25.402 33.833 374 HE ARG 46 HE ARG 46 10.093 27.683 34.782 375 HB2 ARG 46 1HB ARG 46 6.399 27.841 32.853 376 HB3 ARG 46 2HB ARG 46 5.693 27.847 34.464 377 HG2 ARG 46 1HG ARG 46 6.998 25.585 34.703 378 HG3 ARG 46 2HG ARG 46 7.972 26.263 33.396 379 HD2 ARG 46 1HD ARG 46 7.927 28.394 34.969 380 HD3 ARG 46 2HD ARG 46 7.660 27.169 36.209 381 HH11 ARG 46 1HH1 ARG 46 8.245 25.272 36.481 382 HH12 ARG 46 2HH1 ARG 46 9.629 24.318 36.901 383 HH21 ARG 46 1HH2 ARG 46 11.924 26.436 35.328 384 HH22 ARG 46 2HH2 ARG 46 11.721 24.982 36.245 385 H LYS 47 H LYS 47 3.191 26.429 31.418 386 HA LYS 47 HA LYS 47 1.210 27.671 33.180 387 HB2 LYS 47 1HB LYS 47 2.601 28.999 31.019 388 HB3 LYS 47 2HB LYS 47 0.870 28.947 30.708 389 HG2 LYS 47 1HG LYS 47 0.377 30.125 32.689 390 HG3 LYS 47 2HG LYS 47 2.014 29.908 33.313 391 HD2 LYS 47 1HD LYS 47 2.279 32.017 32.539 392 HD3 LYS 47 2HD LYS 47 2.566 31.182 31.010 393 HE2 LYS 47 1HE LYS 47 0.571 31.823 30.130 394 HE3 LYS 47 2HE LYS 47 -0.247 31.804 31.691 395 HZ1 LYS 47 3HZ LYS 47 1.677 33.829 31.746 396 HZ2 LYS 47 1HZ LYS 47 -0.007 33.987 31.793 397 HZ3 LYS 47 2HZ LYS 47 0.803 34.002 30.308 398 H ALA 48 H ALA 48 -0.933 27.930 31.822 399 HA ALA 48 HA ALA 48 -1.288 25.652 30.016 400 HB1 ALA 48 1HB ALA 48 -2.637 26.040 32.649 401 HB2 ALA 48 2HB ALA 48 -3.512 25.261 31.329 402 HB3 ALA 48 3HB ALA 48 -2.001 24.567 31.916 403 HA PRO 49 HA PRO 49 -1.653 25.417 28.184 404 HB2 PRO 49 1HB PRO 49 -1.050 26.652 25.843 405 HB3 PRO 49 2HB PRO 49 -2.594 25.843 26.131 406 HG2 PRO 49 1HG PRO 49 -1.926 28.757 26.283 407 HG3 PRO 49 2HG PRO 49 -3.350 27.971 25.577 408 HD2 PRO 49 1HD PRO 49 -3.388 29.126 28.025 409 HD3 PRO 49 2HD PRO 49 -4.376 27.706 27.624 410 HA PRO 50 HA PRO 50 2.473 26.694 29.011 411 HB2 PRO 50 1HB PRO 50 3.896 25.292 27.172 412 HB3 PRO 50 2HB PRO 50 3.128 24.536 28.573 413 HG2 PRO 50 1HG PRO 50 2.174 24.682 25.739 414 HG3 PRO 50 2HG PRO 50 2.146 23.308 26.860 415 HD2 PRO 50 1HD PRO 50 -0.039 24.828 26.363 416 HD3 PRO 50 2HD PRO 50 0.255 24.066 27.939 417 H LYS 51 H LYS 51 4.600 27.321 27.712 418 HA LYS 51 HA LYS 51 3.841 29.152 25.535 419 HB2 LYS 51 1HB LYS 51 5.345 29.701 28.050 420 HB3 LYS 51 2HB LYS 51 5.844 30.545 26.590 421 HG2 LYS 51 1HG LYS 51 3.342 31.157 26.372 422 HG3 LYS 51 2HG LYS 51 3.259 30.718 28.080 423 HD2 LYS 51 1HD LYS 51 4.652 32.450 28.726 424 HD3 LYS 51 2HD LYS 51 5.386 32.592 27.127 425 HE2 LYS 51 1HE LYS 51 4.024 34.475 27.275 426 HE3 LYS 51 2HE LYS 51 3.051 33.333 26.349 427 HZ1 LYS 51 3HZ LYS 51 1.876 32.756 28.393 428 HZ2 LYS 51 1HZ LYS 51 1.728 34.405 28.045 429 HZ3 LYS 51 2HZ LYS 51 2.790 33.888 29.255 430 H PHE 52 H PHE 52 5.604 29.745 24.098 431 HA PHE 52 HA PHE 52 7.912 27.943 24.148 432 HD1 PHE 52 HD2 PHE 52 4.190 27.566 23.148 433 HD2 PHE 52 HD1 PHE 52 7.625 25.149 22.457 434 HE1 PHE 52 HE2 PHE 52 2.915 25.570 23.813 435 HE2 PHE 52 HE1 PHE 52 6.355 23.149 23.120 436 HZ PHE 52 HZ PHE 52 3.997 23.358 23.801 437 HB2 PHE 52 1HB PHE 52 6.131 28.321 21.731 438 HB3 PHE 52 2HB PHE 52 7.623 27.388 21.775 439 H TYR 53 H TYR 53 9.723 28.687 22.974 440 HA TYR 53 HA TYR 53 9.694 31.585 22.540 441 HD1 TYR 53 HD2 TYR 53 10.408 32.964 23.860 442 HD2 TYR 53 HD1 TYR 53 14.104 31.320 22.539 443 HE1 TYR 53 HE2 TYR 53 11.457 35.179 24.056 444 HE2 TYR 53 HE1 TYR 53 15.163 33.531 22.733 445 HH TYR 53 HH TYR 53 14.918 35.626 23.542 446 HB2 TYR 53 1HB TYR 53 11.384 30.240 24.061 447 HB3 TYR 53 2HB TYR 53 12.215 29.978 22.532 448 H VAL 54 H VAL 54 9.595 32.335 20.539 449 HA VAL 54 HA VAL 54 10.679 30.678 18.353 450 HB VAL 54 HB VAL 54 8.983 31.761 16.873 451 HG11 VAL 54 1HG1 VAL 54 8.706 29.494 17.878 452 HG12 VAL 54 2HG1 VAL 54 7.749 30.237 19.162 453 HG13 VAL 54 3HG1 VAL 54 7.188 30.304 17.490 454 HG21 VAL 54 3HG2 VAL 54 8.470 33.731 18.153 455 HG22 VAL 54 1HG2 VAL 54 7.000 32.771 17.983 456 HG23 VAL 54 2HG2 VAL 54 7.893 32.755 19.504 457 H HIS 55 H HIS 55 11.504 31.843 16.508 458 HA HIS 55 HA HIS 55 12.191 34.650 17.011 459 HD1 HIS 55 HD1 HIS 55 13.931 36.120 15.889 460 HD2 HIS 55 HD2 HIS 55 16.377 32.856 15.099 461 HE1 HIS 55 HE1 HIS 55 15.719 36.978 14.344 462 HB2 HIS 55 1HB HIS 55 14.185 33.657 17.721 463 HB3 HIS 55 2HB HIS 55 14.094 32.382 16.508 464 H TYR 56 H TYR 56 11.860 35.901 15.291 465 HA TYR 56 HA TYR 56 10.941 34.746 12.833 466 HD1 TYR 56 HD2 TYR 56 10.466 37.386 15.771 467 HD2 TYR 56 HD1 TYR 56 8.357 36.430 12.201 468 HE1 TYR 56 HE2 TYR 56 8.344 37.452 17.013 469 HE2 TYR 56 HE1 TYR 56 6.229 36.494 13.433 470 HH TYR 56 HH TYR 56 6.056 36.506 16.801 471 HB2 TYR 56 1HB TYR 56 11.508 37.632 13.539 472 HB3 TYR 56 2HB TYR 56 10.655 37.081 12.102 473 H VAL 57 H VAL 57 12.347 33.867 11.463 474 HA VAL 57 HA VAL 57 15.086 34.447 11.316 475 HB VAL 57 HB VAL 57 13.313 33.231 9.192 476 HG11 VAL 57 1HG1 VAL 57 16.265 33.585 9.423 477 HG12 VAL 57 2HG1 VAL 57 15.630 32.134 8.644 478 HG13 VAL 57 3HG1 VAL 57 15.220 33.728 8.010 479 HG21 VAL 57 3HG2 VAL 57 14.713 31.177 10.249 480 HG22 VAL 57 1HG2 VAL 57 14.518 32.200 11.673 481 HG23 VAL 57 2HG2 VAL 57 13.099 31.647 10.784 482 H ASN 58 H ASN 58 12.369 35.573 9.330 483 HA ASN 58 HA ASN 58 13.847 37.040 7.462 484 HB2 ASN 58 1HB ASN 58 11.273 36.437 7.620 485 HB3 ASN 58 2HB ASN 58 11.174 38.039 8.346 486 HD21 ASN 58 2HD2 ASN 58 12.405 36.320 5.516 487 HD22 ASN 58 1HD2 ASN 58 12.178 37.625 4.406 488 H TYR 59 H TYR 59 13.124 37.679 10.761 489 HA TYR 59 HA TYR 59 14.067 40.453 10.465 490 HD1 TYR 59 HD2 TYR 59 12.768 42.503 10.891 491 HD2 TYR 59 HD1 TYR 59 10.127 39.235 11.562 492 HE1 TYR 59 HE2 TYR 59 10.981 43.711 9.709 493 HE2 TYR 59 HE1 TYR 59 8.334 40.434 10.381 494 HH TYR 59 HH TYR 59 8.865 43.094 8.449 495 HB2 TYR 59 1HB TYR 59 12.243 39.159 12.479 496 HB3 TYR 59 2HB TYR 59 13.046 40.688 12.822 497 H ASN 60 H ASN 60 14.947 41.124 12.855 498 HA ASN 60 HA ASN 60 17.368 39.575 13.129 499 HB2 ASN 60 1HB ASN 60 16.384 42.129 14.399 500 HB3 ASN 60 2HB ASN 60 17.896 41.363 14.876 501 HD21 ASN 60 2HD2 ASN 60 16.265 43.231 12.506 502 HD22 ASN 60 1HD2 ASN 60 17.623 43.518 11.478 503 H LYS 61 H LYS 61 18.179 39.270 15.484 504 HA LYS 61 HA LYS 61 16.464 37.383 16.725 505 HB2 LYS 61 1HB LYS 61 18.224 37.314 18.492 506 HB3 LYS 61 2HB LYS 61 18.846 37.081 16.864 507 HG2 LYS 61 1HG LYS 61 18.858 39.869 17.713 508 HG3 LYS 61 2HG LYS 61 19.845 38.816 18.730 509 HD2 LYS 61 1HD LYS 61 20.577 37.931 16.296 510 HD3 LYS 61 2HD LYS 61 20.197 39.610 15.906 511 HE2 LYS 61 1HE LYS 61 22.157 38.606 17.964 512 HE3 LYS 61 2HE LYS 61 22.526 39.459 16.466 513 HZ1 LYS 61 3HZ LYS 61 22.665 41.043 18.177 514 HZ2 LYS 61 1HZ LYS 61 21.221 40.535 18.896 515 HZ3 LYS 61 2HZ LYS 61 21.187 41.349 17.414 516 H ARG 62 H ARG 62 16.572 40.738 16.886 517 HA ARG 62 HA ARG 62 15.747 41.021 19.630 518 HE ARG 62 HE ARG 62 15.123 44.500 14.814 519 HB2 ARG 62 1HB ARG 62 15.385 43.397 19.017 520 HB3 ARG 62 2HB ARG 62 16.995 42.820 18.610 521 HG2 ARG 62 1HG ARG 62 16.608 42.907 16.350 522 HG3 ARG 62 2HG ARG 62 14.861 42.732 16.535 523 HD2 ARG 62 1HD ARG 62 14.910 45.031 17.627 524 HD3 ARG 62 2HD ARG 62 16.556 45.169 17.009 525 HH11 ARG 62 1HH1 ARG 62 14.779 46.977 17.236 526 HH12 ARG 62 2HH1 ARG 62 14.030 48.109 16.159 527 HH21 ARG 62 1HH2 ARG 62 14.138 45.981 13.386 528 HH22 ARG 62 2HH2 ARG 62 13.665 47.541 13.970 529 H LEU 63 H LEU 63 14.214 39.806 17.020 530 HA LEU 63 HA LEU 63 11.607 40.994 17.633 531 HG LEU 63 HG LEU 63 11.292 41.058 13.993 532 HB2 LEU 63 1HB LEU 63 12.806 39.652 15.303 533 HB3 LEU 63 2HB LEU 63 11.114 39.266 15.611 534 HD11 LEU 63 1HD1 LEU 63 9.734 42.527 14.934 535 HD12 LEU 63 2HD1 LEU 63 10.389 42.324 16.559 536 HD13 LEU 63 3HD1 LEU 63 9.491 41.010 15.800 537 HD21 LEU 63 3HD2 LEU 63 12.323 43.162 14.476 538 HD22 LEU 63 1HD2 LEU 63 13.505 41.889 14.785 539 HD23 LEU 63 2HD2 LEU 63 12.676 42.668 16.133 540 H ASP 64 H ASP 64 13.447 38.090 17.993 541 HA ASP 64 HA ASP 64 11.469 36.170 18.303 542 HB2 ASP 64 1HB ASP 64 13.082 34.839 19.373 543 HB3 ASP 64 2HB ASP 64 14.030 35.902 18.337 544 H GLU 65 H GLU 65 10.560 35.222 20.237 545 HA GLU 65 HA GLU 65 10.627 36.454 22.762 546 HB2 GLU 65 1HB GLU 65 8.378 37.472 22.798 547 HB3 GLU 65 2HB GLU 65 9.467 38.295 21.691 548 HG2 GLU 65 1HG GLU 65 8.325 37.622 19.838 549 HG3 GLU 65 2HG GLU 65 7.728 36.151 20.604 550 H TRP 66 H TRP 66 8.291 35.862 23.894 551 HA TRP 66 HA TRP 66 8.074 32.971 23.458 552 HD1 TRP 66 HD1 TRP 66 9.687 35.724 26.022 553 HE1 TRP 66 HE1 TRP 66 11.866 34.727 26.961 554 HE3 TRP 66 HE3 TRP 66 8.410 30.774 25.957 555 HZ2 TRP 66 HZ2 TRP 66 12.907 32.179 27.590 556 HZ3 TRP 66 HZ3 TRP 66 10.055 29.121 26.743 557 HH2 TRP 66 HH2 TRP 66 12.256 29.811 27.542 558 HB2 TRP 66 1HB TRP 66 7.198 34.654 25.816 559 HB3 TRP 66 2HB TRP 66 7.096 32.899 25.717 560 H ILE 67 H ILE 67 6.406 32.260 22.320 561 HA ILE 67 HA ILE 67 3.909 33.823 22.347 562 HB ILE 67 HB ILE 67 3.385 32.784 20.174 563 HG12 ILE 67 1HG1 ILE 67 6.230 31.802 20.084 564 HG13 ILE 67 2HG1 ILE 67 4.926 30.776 20.669 565 HG21 ILE 67 1HG2 ILE 67 4.777 34.955 20.550 566 HG22 ILE 67 2HG2 ILE 67 6.092 34.002 19.865 567 HG23 ILE 67 3HG2 ILE 67 4.623 34.277 18.929 568 HD11 ILE 67 3HD1 ILE 67 5.137 32.011 17.934 569 HD12 ILE 67 1HD1 ILE 67 5.384 30.315 18.348 570 HD13 ILE 67 2HD1 ILE 67 3.784 31.039 18.513 571 H THR 68 H THR 68 1.907 32.649 22.282 572 HA THR 68 HA THR 68 2.083 30.111 23.738 573 HB THR 68 HB THR 68 -0.529 30.643 23.876 574 HG1 THR 68 HG1 THR 68 0.532 33.264 23.919 575 HG21 THR 68 3HG2 THR 68 1.670 31.868 25.536 576 HG22 THR 68 1HG2 THR 68 0.801 30.364 25.836 577 HG23 THR 68 2HG2 THR 68 -0.031 31.910 25.997 578 H THR 69 H THR 69 0.080 28.645 23.271 579 HA THR 69 HA THR 69 0.378 27.528 20.750 580 HB THR 69 HB THR 69 -1.618 26.212 21.207 581 HG1 THR 69 HG1 THR 69 -2.638 26.815 23.375 582 HG21 THR 69 3HG2 THR 69 0.529 25.758 22.435 583 HG22 THR 69 1HG2 THR 69 -0.923 25.163 23.237 584 HG23 THR 69 2HG2 THR 69 -0.145 26.641 23.804 585 H ASP 70 H ASP 70 -2.086 29.795 21.914 586 HA ASP 70 HA ASP 70 -3.636 29.839 19.561 587 HB2 ASP 70 1HB ASP 70 -3.312 32.104 21.536 588 HB3 ASP 70 2HB ASP 70 -4.682 31.807 20.469 589 H ARG 71 H ARG 71 -0.551 31.080 20.225 590 HA ARG 71 HA ARG 71 -0.721 33.080 18.090 591 HE ARG 71 HE ARG 71 -0.206 35.913 22.274 592 HB2 ARG 71 1HB ARG 71 1.405 32.520 20.162 593 HB3 ARG 71 2HB ARG 71 1.585 33.707 18.877 594 HG2 ARG 71 1HG ARG 71 -0.663 34.641 19.836 595 HG3 ARG 71 2HG ARG 71 -0.159 33.771 21.287 596 HD2 ARG 71 1HD ARG 71 2.054 34.968 21.087 597 HD3 ARG 71 2HD ARG 71 1.304 35.972 19.846 598 HH11 ARG 71 1HH1 ARG 71 2.510 37.387 20.670 599 HH12 ARG 71 2HH1 ARG 71 2.444 38.840 21.612 600 HH21 ARG 71 1HH2 ARG 71 -0.303 37.821 23.520 601 HH22 ARG 71 2HH2 ARG 71 0.844 39.085 23.233 602 H ILE 72 H ILE 72 -0.489 29.987 17.965 603 HA ILE 72 HA ILE 72 1.820 29.912 16.135 604 HB ILE 72 HB ILE 72 0.564 27.618 17.646 605 HG12 ILE 72 1HG1 ILE 72 3.354 28.712 17.972 606 HG13 ILE 72 2HG1 ILE 72 2.001 29.323 18.918 607 HG21 ILE 72 1HG2 ILE 72 2.962 27.671 15.818 608 HG22 ILE 72 2HG2 ILE 72 2.411 26.283 16.756 609 HG23 ILE 72 3HG2 ILE 72 1.401 26.930 15.463 610 HD11 ILE 72 3HD1 ILE 72 3.398 26.717 19.059 611 HD12 ILE 72 1HD1 ILE 72 2.793 27.754 20.350 612 HD13 ILE 72 2HD1 ILE 72 1.674 26.751 19.427 613 H ASN 73 H ASN 73 1.573 29.052 14.102 614 HA ASN 73 HA ASN 73 -1.199 28.738 13.205 615 HB2 ASN 73 1HB ASN 73 1.345 29.231 11.643 616 HB3 ASN 73 2HB ASN 73 -0.253 29.054 10.924 617 HD21 ASN 73 2HD2 ASN 73 0.201 31.182 10.054 618 HD22 ASN 73 1HD2 ASN 73 -0.126 32.575 11.022 619 H LEU 74 H LEU 74 -1.850 26.680 13.345 620 HA LEU 74 HA LEU 74 0.008 24.519 12.712 621 HG LEU 74 HG LEU 74 -1.671 23.361 15.803 622 HB2 LEU 74 1HB LEU 74 -2.622 24.714 14.095 623 HB3 LEU 74 2HB LEU 74 -2.164 23.176 13.366 624 HD11 LEU 74 1HD1 LEU 74 1.021 23.038 14.901 625 HD12 LEU 74 2HD1 LEU 74 -0.083 22.336 13.718 626 HD13 LEU 74 3HD1 LEU 74 -0.142 21.809 15.401 627 HD21 LEU 74 3HD2 LEU 74 -0.899 25.849 15.393 628 HD22 LEU 74 1HD2 LEU 74 0.671 25.079 15.162 629 HD23 LEU 74 2HD2 LEU 74 -0.198 24.871 16.683 630 H ASP 75 H ASP 75 -1.318 26.405 10.731 631 HA ASP 75 HA ASP 75 -2.826 24.468 9.129 632 HB2 ASP 75 1HB ASP 75 -2.699 27.436 9.248 633 HB3 ASP 75 2HB ASP 75 -3.021 26.708 7.676 634 H LYS 76 H LYS 76 0.216 26.045 9.334 635 HA LYS 76 HA LYS 76 0.891 25.351 6.566 636 HB2 LYS 76 1HB LYS 76 2.023 27.227 8.591 637 HB3 LYS 76 2HB LYS 76 3.108 26.565 7.375 638 HG2 LYS 76 1HG LYS 76 2.464 28.328 6.163 639 HG3 LYS 76 2HG LYS 76 1.024 27.362 5.834 640 HD2 LYS 76 1HD LYS 76 -0.264 28.527 7.376 641 HD3 LYS 76 2HD LYS 76 1.147 29.119 8.256 642 HE2 LYS 76 1HE LYS 76 0.519 31.018 7.134 643 HE3 LYS 76 2HE LYS 76 1.664 30.327 5.986 644 HZ1 LYS 76 3HZ LYS 76 -1.257 30.501 5.820 645 HZ2 LYS 76 1HZ LYS 76 -0.489 29.189 5.077 646 HZ3 LYS 76 2HZ LYS 76 -0.092 30.769 4.623 647 H GLU 77 H GLU 77 2.534 23.939 6.046 648 HA GLU 77 HA GLU 77 2.952 21.715 7.624 649 HB2 GLU 77 1HB GLU 77 4.910 22.761 5.576 650 HB3 GLU 77 2HB GLU 77 4.711 21.094 6.097 651 HG2 GLU 77 1HG GLU 77 2.392 21.168 5.169 652 HG3 GLU 77 2HG GLU 77 2.782 22.749 4.493 653 H VAL 78 H VAL 78 4.802 20.934 8.768 654 HA VAL 78 HA VAL 78 6.320 23.094 10.072 655 HB VAL 78 HB VAL 78 5.632 20.340 11.106 656 HG11 VAL 78 1HG1 VAL 78 6.628 21.191 13.238 657 HG12 VAL 78 2HG1 VAL 78 7.793 20.922 11.940 658 HG13 VAL 78 3HG1 VAL 78 7.263 22.560 12.325 659 HG21 VAL 78 3HG2 VAL 78 4.503 23.060 11.529 660 HG22 VAL 78 1HG2 VAL 78 3.686 21.502 11.416 661 HG23 VAL 78 2HG2 VAL 78 4.539 21.945 12.894 662 H LEU 79 H LEU 79 8.528 22.944 10.300 663 HA LEU 79 HA LEU 79 9.826 20.929 8.606 664 HG LEU 79 HG LEU 79 11.371 23.857 7.069 665 HB2 LEU 79 1HB LEU 79 10.302 23.748 9.186 666 HB3 LEU 79 2HB LEU 79 11.760 22.763 9.281 667 HD11 LEU 79 1HD1 LEU 79 12.602 22.223 6.207 668 HD12 LEU 79 2HD1 LEU 79 11.248 21.095 6.253 669 HD13 LEU 79 3HD1 LEU 79 12.277 21.294 7.671 670 HD21 LEU 79 3HD2 LEU 79 9.377 21.824 6.324 671 HD22 LEU 79 1HD2 LEU 79 9.536 23.505 5.813 672 HD23 LEU 79 2HD2 LEU 79 8.790 23.123 7.365 673 H TYR 80 H TYR 80 11.067 19.394 9.467 674 HA TYR 80 HA TYR 80 12.031 19.750 12.226 675 HD1 TYR 80 HD2 TYR 80 10.979 18.918 14.365 676 HD2 TYR 80 HD1 TYR 80 8.443 17.684 11.179 677 HE1 TYR 80 HE2 TYR 80 9.009 19.535 15.702 678 HE2 TYR 80 HE1 TYR 80 6.466 18.299 12.507 679 HH TYR 80 HH TYR 80 6.709 20.087 15.444 680 HB2 TYR 80 1HB TYR 80 10.721 17.327 10.996 681 HB3 TYR 80 2HB TYR 80 11.687 17.236 12.465 682 HA PRO 81 HA PRO 81 16.012 18.576 10.802 683 HB2 PRO 81 1HB PRO 81 16.983 17.226 12.948 684 HB3 PRO 81 2HB PRO 81 16.770 18.981 12.933 685 HG2 PRO 81 1HG PRO 81 15.002 16.868 14.104 686 HG3 PRO 81 2HG PRO 81 15.481 18.431 14.789 687 HD2 PRO 81 1HD PRO 81 13.076 18.033 13.610 688 HD3 PRO 81 2HD PRO 81 13.921 19.593 13.552 689 H LYS 82 H LYS 82 17.308 16.821 10.094 690 HA LYS 82 HA LYS 82 15.928 14.217 10.068 691 HB2 LYS 82 1HB LYS 82 15.893 15.458 7.876 692 HB3 LYS 82 2HB LYS 82 17.646 15.323 7.843 693 HG2 LYS 82 1HG LYS 82 17.568 13.227 7.104 694 HG3 LYS 82 2HG LYS 82 16.352 12.765 8.297 695 HD2 LYS 82 1HD LYS 82 14.581 13.434 6.913 696 HD3 LYS 82 2HD LYS 82 15.640 14.388 5.872 697 HE2 LYS 82 1HE LYS 82 15.756 11.386 6.125 698 HE3 LYS 82 2HE LYS 82 14.869 12.240 4.864 699 HZ1 LYS 82 3HZ LYS 82 17.656 11.670 5.040 700 HZ2 LYS 82 1HZ LYS 82 17.382 13.324 4.810 701 HZ3 LYS 82 2HZ LYS 82 16.751 12.202 3.714 702 H LEU 83 H LEU 83 17.039 12.668 11.043 703 HA LEU 83 HA LEU 83 19.977 12.746 10.935 704 HG LEU 83 HG LEU 83 18.389 14.455 13.038 705 HB2 LEU 83 1HB LEU 83 18.333 11.988 13.345 706 HB3 LEU 83 2HB LEU 83 20.092 11.973 13.236 707 HD11 LEU 83 1HD1 LEU 83 18.841 12.951 15.303 708 HD12 LEU 83 2HD1 LEU 83 18.407 14.659 15.256 709 HD13 LEU 83 3HD1 LEU 83 20.101 14.183 15.368 710 HD21 LEU 83 3HD2 LEU 83 20.643 14.439 11.911 711 HD22 LEU 83 1HD2 LEU 83 21.352 14.212 13.510 712 HD23 LEU 83 2HD2 LEU 83 20.422 15.669 13.157 713 H LYS 84 H LYS 84 20.266 11.130 9.482 714 HA LYS 84 HA LYS 84 19.067 8.515 10.120 715 HB2 LYS 84 1HB LYS 84 19.139 7.954 7.805 716 HB3 LYS 84 2HB LYS 84 18.432 9.560 7.917 717 HG2 LYS 84 1HG LYS 84 19.883 10.046 6.283 718 HG3 LYS 84 2HG LYS 84 21.042 10.187 7.606 719 HD2 LYS 84 1HD LYS 84 22.192 8.756 6.249 720 HD3 LYS 84 2HD LYS 84 21.274 7.582 7.195 721 HE2 LYS 84 1HE LYS 84 20.048 8.663 4.710 722 HE3 LYS 84 2HE LYS 84 21.353 7.488 4.553 723 HZ1 LYS 84 3HZ LYS 84 18.674 7.143 5.710 724 HZ2 LYS 84 1HZ LYS 84 19.944 6.178 6.274 725 HZ3 LYS 84 2HZ LYS 84 19.517 6.142 4.638 726 H ALA 85 H ALA 85 20.369 6.794 10.442 727 HA ALA 85 HA ALA 85 23.269 7.226 10.129 728 HB1 ALA 85 1HB ALA 85 21.808 6.597 12.445 729 HB2 ALA 85 2HB ALA 85 22.689 5.136 11.998 730 HB3 ALA 85 3HB ALA 85 23.560 6.648 12.251 731 H THR 86 H THR 86 24.064 6.082 8.500 732 HA THR 86 HA THR 86 23.239 3.286 8.195 733 HB THR 86 HB THR 86 21.937 4.626 6.556 734 HG1 THR 86 HG1 THR 86 23.908 3.046 5.247 735 HG21 THR 86 3HG2 THR 86 23.122 5.626 4.645 736 HG22 THR 86 1HG2 THR 86 24.663 5.281 5.430 737 HG23 THR 86 2HG2 THR 86 23.536 6.423 6.163 738 H ASP 87 H ASP 87 24.853 1.914 7.594 739 HA ASP 87 HA ASP 87 27.505 3.123 7.153 740 HB2 ASP 87 1HB ASP 87 26.918 0.423 8.383 741 HB3 ASP 87 2HB ASP 87 28.489 1.210 8.260 742 H GLU 88 H GLU 88 26.289 2.986 4.886 743 HA GLU 88 HA GLU 88 27.205 0.486 3.621 744 HB2 GLU 88 1HB GLU 88 24.746 0.639 3.636 745 HB3 GLU 88 2HB GLU 88 24.841 2.187 2.808 746 HG2 GLU 88 1HG GLU 88 25.695 1.181 0.839 747 HG3 GLU 88 2HG GLU 88 25.944 -0.359 1.658 748 H ASP 89 H ASP 89 28.254 0.645 1.650 749 HA ASP 89 HA ASP 89 28.821 3.356 0.665 750 HB2 ASP 89 1HB ASP 89 30.786 1.210 1.412 751 HB3 ASP 89 2HB ASP 89 31.193 2.409 0.188
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