NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
518272 | 2lgr | 15593 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 1 H GLU 1 -24.382 -15.847 9.214 2 HA GLU 1 HA GLU 1 -22.090 -15.490 7.505 3 HB2 GLU 1 2HB GLU 1 -24.894 -16.383 6.828 4 HB3 GLU 1 1HB GLU 1 -23.557 -16.320 5.696 5 HG2 GLU 1 2HG GLU 1 -22.366 -17.979 7.053 6 HG3 GLU 1 1HG GLU 1 -23.759 -18.071 8.129 7 H ALA 2 H ALA 2 -21.920 -13.330 7.939 8 HA ALA 2 HA ALA 2 -23.556 -11.694 6.210 9 HB1 ALA 2 1HB ALA 2 -23.046 -11.049 9.119 10 HB2 ALA 2 2HB ALA 2 -24.608 -11.454 8.408 11 HB3 ALA 2 3HB ALA 2 -23.797 -9.957 7.954 12 H SER 3 H SER 3 -21.888 -11.478 4.883 13 HA SER 3 HA SER 3 -19.652 -9.957 5.877 14 HB2 SER 3 2HB SER 3 -18.160 -11.463 4.455 15 HB3 SER 3 1HB SER 3 -18.760 -12.143 5.967 16 HG SER 3 HG SER 3 -19.362 -12.808 3.337 17 H SER 4 H SER 4 -20.273 -8.142 4.840 18 HA SER 4 HA SER 4 -20.948 -8.234 2.047 19 HB2 SER 4 2HB SER 4 -21.265 -5.767 2.340 20 HB3 SER 4 1HB SER 4 -22.243 -6.737 3.441 21 HG SER 4 HG SER 4 -19.706 -5.936 4.225 22 H LEU 5 H LEU 5 -19.152 -8.777 0.948 23 HA LEU 5 HA LEU 5 -16.715 -7.323 1.427 24 HB2 LEU 5 2HB LEU 5 -15.741 -8.785 -0.350 25 HB3 LEU 5 1HB LEU 5 -16.368 -9.638 1.032 26 HG LEU 5 HG LEU 5 -18.413 -10.192 -0.376 27 HD11 LEU 5 1HD1 LEU 5 -18.208 -10.088 -2.800 28 HD12 LEU 5 2HD1 LEU 5 -16.682 -9.214 -2.626 29 HD13 LEU 5 3HD1 LEU 5 -18.181 -8.478 -2.066 30 HD21 LEU 5 3HD2 LEU 5 -17.294 -11.999 -1.571 31 HD22 LEU 5 1HD2 LEU 5 -16.665 -11.799 0.066 32 HD23 LEU 5 2HD2 LEU 5 -15.744 -11.195 -1.311 33 H ASN 6 H ASN 6 -15.784 -5.833 0.099 34 HA ASN 6 HA ASN 6 -17.614 -4.891 -1.964 35 HB2 ASN 6 2HB ASN 6 -17.113 -3.183 -0.201 36 HB3 ASN 6 1HB ASN 6 -15.415 -3.281 -0.641 37 HD21 ASN 6 1HD2 ASN 6 -14.737 -2.404 -2.605 38 HD22 ASN 6 2HD2 ASN 6 -15.698 -1.279 -3.511 39 H GLU 7 H GLU 7 -16.910 -6.428 -3.364 40 HA GLU 7 HA GLU 7 -14.252 -5.954 -4.481 41 HB2 GLU 7 2HB GLU 7 -14.943 -8.295 -4.023 42 HB3 GLU 7 1HB GLU 7 -16.283 -8.113 -5.152 43 HG2 GLU 7 2HG GLU 7 -14.536 -7.586 -6.909 44 HG3 GLU 7 1HG GLU 7 -13.337 -8.097 -5.732 45 H ASP 8 H ASP 8 -14.670 -4.047 -5.456 46 HA ASP 8 HA ASP 8 -16.589 -4.120 -7.655 47 HB2 ASP 8 2HB ASP 8 -17.777 -3.296 -5.734 48 HB3 ASP 8 1HB ASP 8 -16.591 -2.006 -5.528 49 HA PRO 9 HA PRO 9 -13.033 -1.723 -9.146 50 HB2 PRO 9 2HB PRO 9 -11.989 -3.736 -10.610 51 HB3 PRO 9 1HB PRO 9 -11.585 -3.508 -8.905 52 HG2 PRO 9 2HG PRO 9 -13.022 -5.724 -10.078 53 HG3 PRO 9 1HG PRO 9 -12.676 -5.454 -8.365 54 HD2 PRO 9 2HD PRO 9 -15.161 -4.783 -9.905 55 HD3 PRO 9 1HD PRO 9 -14.974 -5.194 -8.183 56 H GLU 10 H GLU 10 -12.202 -2.499 -11.716 57 HA GLU 10 HA GLU 10 -12.530 -2.459 -13.866 58 HB2 GLU 10 2HB GLU 10 -13.981 -4.437 -13.430 59 HB3 GLU 10 1HB GLU 10 -15.369 -3.361 -13.366 60 HG2 GLU 10 2HG GLU 10 -15.211 -4.441 -15.530 61 HG3 GLU 10 1HG GLU 10 -14.950 -2.703 -15.683 62 H GLY 11 H GLY 11 -12.219 -0.465 -14.165 63 HA2 GLY 11 2HA GLY 11 -14.280 1.124 -15.327 64 HA3 GLY 11 1HA GLY 11 -13.902 1.727 -13.716 65 H SER 12 H SER 12 -11.292 1.384 -13.499 66 HA SER 12 HA SER 12 -9.811 2.281 -15.755 67 HB2 SER 12 2HB SER 12 -10.947 4.352 -14.855 68 HB3 SER 12 1HB SER 12 -10.168 4.059 -13.309 69 HG SER 12 HG SER 12 -9.050 4.838 -15.754 70 H ARG 13 H ARG 13 -7.485 2.837 -14.567 71 HA ARG 13 HA ARG 13 -6.573 0.580 -13.180 72 HB2 ARG 13 2HB ARG 13 -5.554 3.412 -13.253 73 HB3 ARG 13 1HB ARG 13 -4.756 2.195 -12.279 74 HG2 ARG 13 2HG ARG 13 -5.186 1.915 -15.242 75 HG3 ARG 13 1HG ARG 13 -3.733 2.632 -14.538 76 HD2 ARG 13 2HD ARG 13 -3.252 0.602 -13.379 77 HD3 ARG 13 1HD ARG 13 -4.706 -0.189 -13.938 78 HE ARG 13 HE ARG 13 -2.879 0.851 -15.946 79 HH11 ARG 13 1HH1 ARG 13 -3.898 -2.019 -14.122 80 HH12 ARG 13 2HH1 ARG 13 -3.320 -3.112 -15.277 81 HH21 ARG 13 1HH2 ARG 13 -2.000 -0.684 -17.459 82 HH22 ARG 13 2HH2 ARG 13 -2.146 -2.352 -17.191 83 H ILE 14 H ILE 14 -7.478 3.756 -11.925 84 HA ILE 14 HA ILE 14 -7.433 2.744 -9.206 85 HB ILE 14 HB ILE 14 -7.937 5.525 -10.273 86 HG12 ILE 14 2HG1 ILE 14 -5.416 4.313 -9.118 87 HG13 ILE 14 1HG1 ILE 14 -5.676 4.693 -10.815 88 HG21 ILE 14 1HG2 ILE 14 -8.888 5.168 -8.051 89 HG22 ILE 14 2HG2 ILE 14 -7.490 6.239 -7.957 90 HG23 ILE 14 3HG2 ILE 14 -7.341 4.549 -7.480 91 HD11 ILE 14 3HD1 ILE 14 -5.558 6.663 -8.543 92 HD12 ILE 14 1HD1 ILE 14 -5.854 7.060 -10.236 93 HD13 ILE 14 2HD1 ILE 14 -4.311 6.366 -9.757 94 H THR 15 H THR 15 -9.117 2.345 -8.052 95 HA THR 15 HA THR 15 -11.739 3.320 -8.888 96 HB THR 15 HB THR 15 -11.099 0.586 -7.723 97 HG1 THR 15 1HG THR 15 -11.055 1.575 -10.163 98 HG21 THR 15 3HG2 THR 15 -13.297 1.487 -7.032 99 HG22 THR 15 1HG2 THR 15 -13.483 0.122 -8.131 100 HG23 THR 15 2HG2 THR 15 -13.703 1.770 -8.725 101 H TYR 16 H TYR 16 -12.882 4.213 -7.188 102 HA TYR 16 HA TYR 16 -11.320 4.503 -4.740 103 HB2 TYR 16 2HB TYR 16 -13.590 6.182 -5.796 104 HB3 TYR 16 1HB TYR 16 -12.613 6.541 -4.372 105 HD1 TYR 16 2HD TYR 16 -10.178 7.091 -4.678 106 HD2 TYR 16 1HD TYR 16 -12.853 6.725 -7.963 107 HE1 TYR 16 2HE TYR 16 -8.584 8.278 -6.113 108 HE2 TYR 16 1HE TYR 16 -11.261 7.897 -9.403 109 HH TYR 16 HH TYR 16 -8.101 8.309 -8.650 110 H VAL 17 H VAL 17 -11.985 3.669 -2.937 111 HA VAL 17 HA VAL 17 -14.779 2.801 -2.745 112 HB VAL 17 HB VAL 17 -12.400 1.434 -1.504 113 HG11 VAL 17 1HG1 VAL 17 -13.994 -0.350 -0.934 114 HG12 VAL 17 2HG1 VAL 17 -15.300 0.632 -1.596 115 HG13 VAL 17 3HG1 VAL 17 -14.412 1.194 -0.182 116 HG21 VAL 17 3HG2 VAL 17 -12.809 -0.402 -3.079 117 HG22 VAL 17 1HG2 VAL 17 -12.383 1.094 -3.909 118 HG23 VAL 17 2HG2 VAL 17 -14.066 0.558 -3.864 119 H LYS 18 H LYS 18 -15.777 3.714 -1.187 120 HA LYS 18 HA LYS 18 -14.342 5.013 0.954 121 HB2 LYS 18 2HB LYS 18 -16.479 6.012 1.597 122 HB3 LYS 18 1HB LYS 18 -16.178 6.301 -0.097 123 HG2 LYS 18 2HG LYS 18 -18.107 4.249 1.034 124 HG3 LYS 18 1HG LYS 18 -18.565 5.825 0.409 125 HD2 LYS 18 2HD LYS 18 -17.700 5.111 -1.837 126 HD3 LYS 18 1HD LYS 18 -17.345 3.531 -1.132 127 HE2 LYS 18 2HE LYS 18 -19.700 3.229 -0.604 128 HE3 LYS 18 1HE LYS 18 -20.061 4.792 -1.336 129 HZ1 LYS 18 3HZ LYS 18 -20.479 2.962 -2.875 130 HZ2 LYS 18 1HZ LYS 18 -18.877 2.466 -2.748 131 HZ3 LYS 18 2HZ LYS 18 -19.250 3.940 -3.460 132 H GLY 19 H GLY 19 -13.837 3.838 2.664 133 HA2 GLY 19 2HA GLY 19 -15.531 2.480 4.303 134 HA3 GLY 19 1HA GLY 19 -15.022 1.297 3.100 135 H ASP 20 H ASP 20 -14.110 0.267 5.042 136 HA ASP 20 HA ASP 20 -11.831 1.565 6.223 137 HB2 ASP 20 2HB ASP 20 -13.309 0.085 7.594 138 HB3 ASP 20 1HB ASP 20 -12.789 -1.261 6.604 139 H LEU 21 H LEU 21 -9.802 1.215 5.809 140 HA LEU 21 HA LEU 21 -9.071 0.109 3.333 141 HB2 LEU 21 2HB LEU 21 -8.031 2.100 4.200 142 HB3 LEU 21 1HB LEU 21 -7.512 1.271 5.635 143 HG LEU 21 HG LEU 21 -5.717 1.902 4.013 144 HD11 LEU 21 1HD1 LEU 21 -4.431 -0.065 4.233 145 HD12 LEU 21 2HD1 LEU 21 -5.887 -1.041 4.489 146 HD13 LEU 21 3HD1 LEU 21 -5.390 0.143 5.698 147 HD21 LEU 21 3HD2 LEU 21 -6.918 -0.276 2.308 148 HD22 LEU 21 1HD2 LEU 21 -5.363 0.515 2.042 149 HD23 LEU 21 2HD2 LEU 21 -6.852 1.450 1.926 150 H PHE 22 H PHE 22 -9.173 -1.272 6.549 151 HA PHE 22 HA PHE 22 -7.433 -3.426 5.716 152 HB2 PHE 22 2HB PHE 22 -8.770 -2.842 8.355 153 HB3 PHE 22 1HB PHE 22 -7.856 -4.315 8.047 154 HD1 PHE 22 1HD PHE 22 -5.460 -4.226 7.673 155 HD2 PHE 22 2HD PHE 22 -7.670 -0.722 8.678 156 HE1 PHE 22 1HE PHE 22 -3.375 -3.066 8.232 157 HE2 PHE 22 2HE PHE 22 -5.602 0.422 9.225 158 HZ PHE 22 HZ PHE 22 -3.445 -0.738 9.012 159 H ALA 23 H ALA 23 -10.627 -2.675 5.391 160 HA ALA 23 HA ALA 23 -11.597 -5.404 5.526 161 HB1 ALA 23 1HB ALA 23 -13.058 -3.549 6.195 162 HB2 ALA 23 2HB ALA 23 -13.735 -4.421 4.819 163 HB3 ALA 23 3HB ALA 23 -12.937 -2.868 4.573 164 H CYS 24 H CYS 24 -9.511 -4.222 3.574 165 HA CYS 24 HA CYS 24 -10.521 -4.387 0.977 166 HB2 CYS 24 2HB CYS 24 -8.057 -4.612 0.389 167 HB3 CYS 24 1HB CYS 24 -8.513 -3.192 1.319 168 HG CYS 24 HG CYS 24 -6.937 -3.528 3.198 169 HA PRO 25 HA PRO 25 -10.910 -8.705 0.164 170 HB2 PRO 25 2HB PRO 25 -9.633 -8.304 -2.479 171 HB3 PRO 25 1HB PRO 25 -11.254 -8.895 -2.097 172 HG2 PRO 25 2HG PRO 25 -10.892 -6.444 -3.096 173 HG3 PRO 25 1HG PRO 25 -12.125 -6.760 -1.861 174 HD2 PRO 25 2HD PRO 25 -9.411 -5.534 -1.559 175 HD3 PRO 25 1HD PRO 25 -10.962 -5.055 -0.828 176 H LYS 26 H LYS 26 -9.787 -10.560 0.294 177 HA LYS 26 HA LYS 26 -7.184 -10.435 1.354 178 HB2 LYS 26 2HB LYS 26 -7.152 -12.844 1.552 179 HB3 LYS 26 1HB LYS 26 -8.740 -12.251 1.978 180 HG2 LYS 26 2HG LYS 26 -8.062 -13.423 -0.721 181 HG3 LYS 26 1HG LYS 26 -8.660 -14.384 0.618 182 HD2 LYS 26 2HD LYS 26 -10.172 -12.018 -0.495 183 HD3 LYS 26 1HD LYS 26 -10.329 -13.630 -1.177 184 HE2 LYS 26 2HE LYS 26 -12.158 -13.227 0.368 185 HE3 LYS 26 1HE LYS 26 -11.102 -14.464 1.022 186 HZ1 LYS 26 3HZ LYS 26 -10.211 -12.801 2.576 187 HZ2 LYS 26 1HZ LYS 26 -11.874 -12.938 2.663 188 HZ3 LYS 26 2HZ LYS 26 -11.228 -11.609 1.904 189 H THR 27 H THR 27 -8.127 -10.816 -1.940 190 HA THR 27 HA THR 27 -5.752 -12.071 -2.926 191 HB THR 27 HB THR 27 -6.830 -11.258 -5.081 192 HG1 THR 27 1HG THR 27 -8.150 -9.586 -4.219 193 HG21 THR 27 3HG2 THR 27 -8.575 -13.005 -4.956 194 HG22 THR 27 1HG2 THR 27 -8.406 -13.039 -3.203 195 HG23 THR 27 2HG2 THR 27 -7.070 -13.568 -4.230 196 H ASP 28 H ASP 28 -6.666 -8.960 -2.048 197 HA ASP 28 HA ASP 28 -4.951 -7.602 -3.951 198 HB2 ASP 28 2HB ASP 28 -6.913 -6.571 -1.888 199 HB3 ASP 28 1HB ASP 28 -5.977 -5.559 -2.978 200 H SER 29 H SER 29 -3.064 -6.768 -3.417 201 HA SER 29 HA SER 29 -2.212 -7.131 -0.685 202 HB2 SER 29 2HB SER 29 -0.656 -6.239 -3.144 203 HB3 SER 29 1HB SER 29 0.042 -6.483 -1.543 204 HG SER 29 HG SER 29 -1.450 -8.501 -2.784 205 H LEU 30 H LEU 30 -0.804 -5.066 0.130 206 HA LEU 30 HA LEU 30 -2.725 -2.874 -0.265 207 HB2 LEU 30 2HB LEU 30 -2.943 -4.449 1.797 208 HB3 LEU 30 1HB LEU 30 -1.523 -3.627 2.370 209 HG LEU 30 HG LEU 30 -4.188 -2.346 1.800 210 HD11 LEU 30 1HD1 LEU 30 -4.314 -3.815 3.650 211 HD12 LEU 30 2HD1 LEU 30 -4.284 -2.149 4.261 212 HD13 LEU 30 3HD1 LEU 30 -2.840 -3.149 4.342 213 HD21 LEU 30 3HD2 LEU 30 -1.673 -1.196 3.029 214 HD22 LEU 30 1HD2 LEU 30 -3.220 -0.339 2.932 215 HD23 LEU 30 2HD2 LEU 30 -2.379 -0.799 1.465 216 H ALA 31 H ALA 31 -1.818 -0.857 -0.237 217 HA ALA 31 HA ALA 31 1.064 -0.616 0.289 218 HB1 ALA 31 1HB ALA 31 -0.350 0.442 -2.148 219 HB2 ALA 31 2HB ALA 31 0.724 -0.951 -2.112 220 HB3 ALA 31 3HB ALA 31 1.356 0.658 -1.753 221 H HIS 32 H HIS 32 1.750 1.496 0.856 222 HA HIS 32 HA HIS 32 0.149 3.776 0.658 223 HB2 HIS 32 2HB HIS 32 -0.212 4.316 3.077 224 HB3 HIS 32 1HB HIS 32 -1.158 2.934 2.547 225 HD1 HIS 32 1HD HIS 32 1.508 4.009 4.896 226 HD2 HIS 32 2HD HIS 32 -0.451 0.528 3.751 227 HE1 HIS 32 1HE HIS 32 2.168 2.299 6.588 228 HE2 HIS 32 2HE HIS 32 1.009 0.179 5.878 229 H CYS 33 H CYS 33 1.185 5.658 2.103 230 HA CYS 33 HA CYS 33 4.030 5.500 1.407 231 HB2 CYS 33 2HB CYS 33 3.849 7.977 1.514 232 HB3 CYS 33 1HB CYS 33 2.803 7.235 0.309 233 HG CYS 33 HG CYS 33 1.890 9.491 2.277 234 H ILE 34 H ILE 34 5.628 5.759 2.867 235 HA ILE 34 HA ILE 34 5.055 6.831 5.506 236 HB ILE 34 HB ILE 34 6.386 5.122 6.685 237 HG12 ILE 34 2HG1 ILE 34 6.388 3.515 4.147 238 HG13 ILE 34 1HG1 ILE 34 7.729 4.528 4.670 239 HG21 ILE 34 1HG2 ILE 34 4.004 4.825 6.639 240 HG22 ILE 34 2HG2 ILE 34 4.855 3.292 6.696 241 HG23 ILE 34 3HG2 ILE 34 4.136 3.847 5.175 242 HD11 ILE 34 3HD1 ILE 34 6.595 2.232 6.251 243 HD12 ILE 34 1HD1 ILE 34 7.964 3.247 6.696 244 HD13 ILE 34 2HD1 ILE 34 8.080 2.189 5.290 245 H SER 35 H SER 35 7.235 7.068 6.712 246 HA SER 35 HA SER 35 9.031 8.370 4.870 247 HB2 SER 35 2HB SER 35 10.027 9.226 6.966 248 HB3 SER 35 1HB SER 35 8.329 9.643 6.783 249 HG SER 35 HG SER 35 8.356 8.844 8.810 250 H GLU 36 H GLU 36 11.342 7.991 5.021 251 HA GLU 36 HA GLU 36 12.031 5.217 5.140 252 HB2 GLU 36 2HB GLU 36 14.296 5.970 4.511 253 HB3 GLU 36 1HB GLU 36 13.102 6.868 3.598 254 HG2 GLU 36 2HG GLU 36 13.372 8.673 5.261 255 HG3 GLU 36 1HG GLU 36 14.621 7.724 5.971 256 H ASP 37 H ASP 37 11.987 7.780 7.298 257 HA ASP 37 HA ASP 37 13.824 6.681 9.252 258 HB2 ASP 37 2HB ASP 37 13.504 9.129 8.910 259 HB3 ASP 37 1HB ASP 37 11.838 8.962 9.432 260 H CYS 38 H CYS 38 10.530 6.418 8.434 261 HA CYS 38 HA CYS 38 8.837 5.203 9.112 262 HB2 CYS 38 2HB CYS 38 10.995 3.554 10.397 263 HB3 CYS 38 1HB CYS 38 9.319 3.039 10.207 264 HG CYS 38 HG CYS 38 10.236 4.051 7.294 265 H ARG 39 H ARG 39 9.972 7.296 11.173 266 HA ARG 39 HA ARG 39 8.743 6.429 13.553 267 HB2 ARG 39 2HB ARG 39 9.574 9.135 12.595 268 HB3 ARG 39 1HB ARG 39 8.715 8.913 14.117 269 HG2 ARG 39 2HG ARG 39 10.453 7.385 14.877 270 HG3 ARG 39 1HG ARG 39 11.316 7.626 13.360 271 HD2 ARG 39 2HD ARG 39 11.618 9.926 13.811 272 HD3 ARG 39 1HD ARG 39 10.566 9.810 15.225 273 HE ARG 39 HE ARG 39 12.195 8.620 16.380 274 HH11 ARG 39 1HH1 ARG 39 13.427 9.548 13.205 275 HH12 ARG 39 2HH1 ARG 39 15.057 9.614 13.665 276 HH21 ARG 39 1HH2 ARG 39 14.485 8.676 17.036 277 HH22 ARG 39 2HH2 ARG 39 15.680 9.089 15.899 278 H MET 40 H MET 40 6.764 5.904 13.677 279 HA MET 40 HA MET 40 4.814 7.233 11.954 280 HB2 MET 40 2HB MET 40 4.598 4.563 13.399 281 HB3 MET 40 1HB MET 40 3.429 5.292 12.274 282 HG2 MET 40 2HG MET 40 4.958 5.072 10.525 283 HG3 MET 40 1HG MET 40 6.221 4.538 11.634 284 HE1 MET 40 3HE MET 40 5.484 3.099 9.134 285 HE2 MET 40 1HE MET 40 5.519 1.380 9.631 286 HE3 MET 40 2HE MET 40 6.683 2.561 10.310 287 H GLY 41 H GLY 41 4.137 8.937 13.042 288 HA2 GLY 41 2HA GLY 41 2.996 8.459 15.709 289 HA3 GLY 41 1HA GLY 41 3.615 10.017 15.159 290 H ALA 42 H ALA 42 2.422 9.209 12.448 291 HA ALA 42 HA ALA 42 -0.390 9.474 12.950 292 HB1 ALA 42 1HB ALA 42 1.123 11.636 11.463 293 HB2 ALA 42 2HB ALA 42 0.350 11.816 13.039 294 HB3 ALA 42 3HB ALA 42 -0.631 11.517 11.606 295 H GLY 43 H GLY 43 -1.534 9.614 10.769 296 HA2 GLY 43 2HA GLY 43 -1.629 9.039 8.511 297 HA3 GLY 43 1HA GLY 43 -0.018 8.335 8.643 298 H ILE 44 H ILE 44 -1.514 6.772 7.373 299 HA ILE 44 HA ILE 44 -3.185 5.099 8.986 300 HB ILE 44 HB ILE 44 -3.642 5.404 6.592 301 HG12 ILE 44 2HG1 ILE 44 -2.923 2.530 7.122 302 HG13 ILE 44 1HG1 ILE 44 -4.368 3.312 7.775 303 HG21 ILE 44 1HG2 ILE 44 -1.071 3.912 6.171 304 HG22 ILE 44 2HG2 ILE 44 -1.426 5.580 5.679 305 HG23 ILE 44 3HG2 ILE 44 -2.268 4.223 4.926 306 HD11 ILE 44 3HD1 ILE 44 -4.908 2.057 5.904 307 HD12 ILE 44 1HD1 ILE 44 -3.608 2.800 4.958 308 HD13 ILE 44 2HD1 ILE 44 -4.995 3.776 5.473 309 H ALA 45 H ALA 45 0.106 5.347 8.548 310 HA ALA 45 HA ALA 45 0.989 2.705 8.766 311 HB1 ALA 45 1HB ALA 45 2.450 4.563 8.173 312 HB2 ALA 45 2HB ALA 45 3.071 3.641 9.544 313 HB3 ALA 45 3HB ALA 45 2.292 5.202 9.814 314 H VAL 46 H VAL 46 -0.143 4.978 11.188 315 HA VAL 46 HA VAL 46 0.668 3.468 13.440 316 HB VAL 46 HB VAL 46 -1.605 5.506 13.305 317 HG11 VAL 46 1HG1 VAL 46 -0.057 4.401 15.670 318 HG12 VAL 46 2HG1 VAL 46 -1.734 4.032 15.279 319 HG13 VAL 46 3HG1 VAL 46 -1.283 5.675 15.746 320 HG21 VAL 46 3HG2 VAL 46 0.056 7.067 14.192 321 HG22 VAL 46 1HG2 VAL 46 0.543 6.425 12.619 322 HG23 VAL 46 2HG2 VAL 46 1.284 5.801 14.095 323 H LEU 47 H LEU 47 -2.111 3.240 11.376 324 HA LEU 47 HA LEU 47 -3.459 1.351 13.028 325 HB2 LEU 47 2HB LEU 47 -3.636 1.745 10.033 326 HB3 LEU 47 1HB LEU 47 -4.681 0.693 10.974 327 HG LEU 47 HG LEU 47 -4.538 3.706 11.263 328 HD11 LEU 47 1HD1 LEU 47 -5.592 2.985 9.146 329 HD12 LEU 47 2HD1 LEU 47 -6.743 3.709 10.258 330 HD13 LEU 47 3HD1 LEU 47 -6.693 1.963 10.069 331 HD21 LEU 47 3HD2 LEU 47 -6.391 1.682 12.479 332 HD22 LEU 47 1HD2 LEU 47 -6.502 3.428 12.671 333 HD23 LEU 47 2HD2 LEU 47 -5.124 2.559 13.354 334 H PHE 48 H PHE 48 -1.065 1.027 10.453 335 HA PHE 48 HA PHE 48 -0.997 -1.826 10.456 336 HB2 PHE 48 2HB PHE 48 0.930 0.230 9.390 337 HB3 PHE 48 1HB PHE 48 1.261 -1.497 9.286 338 HD1 PHE 48 2HD PHE 48 -1.322 1.031 8.412 339 HD2 PHE 48 1HD PHE 48 0.454 -2.719 7.513 340 HE1 PHE 48 2HE PHE 48 -2.699 0.841 6.363 341 HE2 PHE 48 1HE PHE 48 -0.925 -2.887 5.493 342 HZ PHE 48 HZ PHE 48 -2.492 -1.097 4.939 343 H LYS 49 H LYS 49 0.467 0.551 12.281 344 HA LYS 49 HA LYS 49 2.553 -0.581 13.654 345 HB2 LYS 49 2HB LYS 49 1.887 1.680 13.823 346 HB3 LYS 49 1HB LYS 49 0.290 1.239 14.348 347 HG2 LYS 49 2HG LYS 49 1.419 2.223 16.129 348 HG3 LYS 49 1HG LYS 49 1.301 0.504 16.480 349 HD2 LYS 49 2HD LYS 49 3.583 0.176 16.011 350 HD3 LYS 49 1HD LYS 49 3.731 1.781 15.270 351 HE2 LYS 49 2HE LYS 49 3.198 2.832 17.275 352 HE3 LYS 49 1HE LYS 49 2.936 1.324 18.126 353 HZ1 LYS 49 3HZ LYS 49 5.118 2.196 18.645 354 HZ2 LYS 49 1HZ LYS 49 5.527 2.275 17.013 355 HZ3 LYS 49 2HZ LYS 49 5.298 0.773 17.746 356 H LYS 50 H LYS 50 -0.959 -0.700 14.561 357 HA LYS 50 HA LYS 50 -0.466 -2.650 16.564 358 HB2 LYS 50 2HB LYS 50 -3.098 -1.815 15.391 359 HB3 LYS 50 1HB LYS 50 -2.887 -2.936 16.700 360 HG2 LYS 50 2HG LYS 50 -3.456 -0.976 17.718 361 HG3 LYS 50 1HG LYS 50 -1.713 -1.055 17.965 362 HD2 LYS 50 2HD LYS 50 -2.345 1.197 17.384 363 HD3 LYS 50 1HD LYS 50 -1.490 0.487 16.010 364 HE2 LYS 50 2HE LYS 50 -3.481 1.693 15.249 365 HE3 LYS 50 1HE LYS 50 -3.587 -0.048 14.958 366 HZ1 LYS 50 3HZ LYS 50 -4.939 1.407 17.178 367 HZ2 LYS 50 1HZ LYS 50 -5.041 -0.260 16.871 368 HZ3 LYS 50 2HZ LYS 50 -5.662 0.829 15.773 369 H LYS 51 H LYS 51 -1.625 -2.742 13.241 370 HA LYS 51 HA LYS 51 -2.639 -5.375 13.337 371 HB2 LYS 51 2HB LYS 51 -1.991 -3.572 11.039 372 HB3 LYS 51 1HB LYS 51 -2.705 -5.160 10.839 373 HG2 LYS 51 2HG LYS 51 -3.866 -2.869 12.382 374 HG3 LYS 51 1HG LYS 51 -4.273 -3.285 10.713 375 HD2 LYS 51 2HD LYS 51 -4.889 -5.456 11.407 376 HD3 LYS 51 1HD LYS 51 -4.483 -5.020 13.075 377 HE2 LYS 51 2HE LYS 51 -6.222 -3.288 13.062 378 HE3 LYS 51 1HE LYS 51 -6.630 -3.697 11.398 379 HZ1 LYS 51 3HZ LYS 51 -7.362 -5.858 12.122 380 HZ2 LYS 51 1HZ LYS 51 -8.178 -4.687 13.001 381 HZ3 LYS 51 2HZ LYS 51 -6.917 -5.545 13.708 382 H PHE 52 H PHE 52 0.468 -4.158 12.078 383 HA PHE 52 HA PHE 52 1.180 -7.007 11.859 384 HB2 PHE 52 2HB PHE 52 2.156 -4.773 10.078 385 HB3 PHE 52 1HB PHE 52 2.659 -6.456 9.978 386 HD1 PHE 52 2HD PHE 52 0.965 -8.197 9.347 387 HD2 PHE 52 1HD PHE 52 0.153 -4.039 9.084 388 HE1 PHE 52 2HE PHE 52 -0.934 -8.666 7.849 389 HE2 PHE 52 1HE PHE 52 -1.749 -4.499 7.592 390 HZ PHE 52 HZ PHE 52 -2.293 -6.816 6.974 391 H GLY 53 H GLY 53 2.125 -3.893 13.039 392 HA2 GLY 53 2HA GLY 53 3.947 -3.153 14.247 393 HA3 GLY 53 1HA GLY 53 3.911 -4.764 14.947 394 H GLY 54 H GLY 54 4.816 -3.487 11.738 395 HA2 GLY 54 2HA GLY 54 7.294 -5.060 12.000 396 HA3 GLY 54 1HA GLY 54 6.422 -4.860 10.492 397 H VAL 55 H VAL 55 7.279 -2.446 12.932 398 HA VAL 55 HA VAL 55 8.085 -0.567 10.963 399 HB VAL 55 HB VAL 55 8.706 -0.559 13.932 400 HG11 VAL 55 1HG1 VAL 55 8.868 1.866 13.681 401 HG12 VAL 55 2HG1 VAL 55 8.594 1.691 11.943 402 HG13 VAL 55 3HG1 VAL 55 10.051 1.017 12.681 403 HG21 VAL 55 3HG2 VAL 55 6.698 0.838 14.190 404 HG22 VAL 55 1HG2 VAL 55 6.303 -0.769 13.582 405 HG23 VAL 55 2HG2 VAL 55 6.327 0.608 12.482 406 H GLN 56 H GLN 56 9.831 -2.698 13.202 407 HA GLN 56 HA GLN 56 12.405 -1.872 12.367 408 HB2 GLN 56 2HB GLN 56 11.348 -4.120 14.016 409 HB3 GLN 56 1HB GLN 56 13.027 -4.084 13.523 410 HG2 GLN 56 2HG GLN 56 12.658 -3.200 15.810 411 HG3 GLN 56 1HG GLN 56 13.389 -2.026 14.727 412 HE21 GLN 56 1HE2 GLN 56 12.250 -0.190 14.190 413 HE22 GLN 56 2HE2 GLN 56 10.810 0.290 15.006 414 H GLU 57 H GLU 57 10.198 -4.312 11.276 415 HA GLU 57 HA GLU 57 12.004 -5.771 9.693 416 HB2 GLU 57 2HB GLU 57 9.091 -5.183 9.165 417 HB3 GLU 57 1HB GLU 57 10.037 -6.394 8.320 418 HG2 GLU 57 2HG GLU 57 10.354 -7.577 10.462 419 HG3 GLU 57 1HG GLU 57 9.316 -6.379 11.236 420 H LEU 58 H LEU 58 10.303 -2.796 9.164 421 HA LEU 58 HA LEU 58 11.002 -2.417 6.423 422 HB2 LEU 58 2HB LEU 58 10.201 -0.399 8.509 423 HB3 LEU 58 1HB LEU 58 10.174 -0.163 6.774 424 HG LEU 58 HG LEU 58 8.447 -2.100 8.300 425 HD11 LEU 58 1HD1 LEU 58 7.830 0.197 8.725 426 HD12 LEU 58 2HD1 LEU 58 6.626 -0.597 7.703 427 HD13 LEU 58 3HD1 LEU 58 7.786 0.523 6.994 428 HD21 LEU 58 3HD2 LEU 58 8.471 -1.349 5.383 429 HD22 LEU 58 1HD2 LEU 58 7.277 -2.377 6.170 430 HD23 LEU 58 2HD2 LEU 58 8.954 -2.908 6.063 431 H LEU 59 H LEU 59 12.133 -0.971 9.466 432 HA LEU 59 HA LEU 59 14.187 0.506 8.269 433 HB2 LEU 59 2HB LEU 59 13.743 -0.288 11.119 434 HB3 LEU 59 1HB LEU 59 15.124 0.672 10.621 435 HG LEU 59 HG LEU 59 12.219 1.463 10.279 436 HD11 LEU 59 1HD1 LEU 59 12.913 1.572 12.611 437 HD12 LEU 59 2HD1 LEU 59 12.746 3.199 11.920 438 HD13 LEU 59 3HD1 LEU 59 14.340 2.500 12.140 439 HD21 LEU 59 3HD2 LEU 59 14.767 2.946 9.649 440 HD22 LEU 59 1HD2 LEU 59 13.150 3.648 9.620 441 HD23 LEU 59 2HD2 LEU 59 13.562 2.373 8.489 442 H ASN 60 H ASN 60 14.228 -2.757 9.476 443 HA ASN 60 HA ASN 60 17.039 -2.976 9.267 444 HB2 ASN 60 2HB ASN 60 14.894 -5.088 9.334 445 HB3 ASN 60 1HB ASN 60 16.611 -5.479 9.256 446 HD21 ASN 60 1HD2 ASN 60 14.535 -5.885 11.368 447 HD22 ASN 60 2HD2 ASN 60 15.234 -5.219 12.797 448 H GLN 61 H GLN 61 14.647 -2.890 6.859 449 HA GLN 61 HA GLN 61 16.284 -4.131 4.835 450 HB2 GLN 61 2HB GLN 61 13.890 -2.295 4.541 451 HB3 GLN 61 1HB GLN 61 14.676 -3.151 3.225 452 HG2 GLN 61 2HG GLN 61 14.058 -5.276 4.263 453 HG3 GLN 61 1HG GLN 61 13.237 -4.393 5.550 454 HE21 GLN 61 1HE2 GLN 61 11.267 -5.321 5.040 455 HE22 GLN 61 2HE2 GLN 61 10.343 -4.907 3.663 456 H GLN 62 H GLN 62 15.838 -0.978 6.211 457 HA GLN 62 HA GLN 62 16.452 1.039 5.751 458 HB2 GLN 62 2HB GLN 62 19.027 -0.377 5.164 459 HB3 GLN 62 1HB GLN 62 18.854 1.379 5.179 460 HG2 GLN 62 2HG GLN 62 18.091 1.321 7.422 461 HG3 GLN 62 1HG GLN 62 18.187 -0.429 7.458 462 HE21 GLN 62 1HE2 GLN 62 19.664 -0.430 9.170 463 HE22 GLN 62 2HE2 GLN 62 21.316 0.036 8.975 464 H LYS 63 H LYS 63 15.001 1.406 4.281 465 HA LYS 63 HA LYS 63 15.918 1.610 1.510 466 HB2 LYS 63 2HB LYS 63 13.204 1.874 2.769 467 HB3 LYS 63 1HB LYS 63 13.527 2.046 1.055 468 HG2 LYS 63 2HG LYS 63 14.114 -0.379 2.658 469 HG3 LYS 63 1HG LYS 63 12.600 -0.133 1.770 470 HD2 LYS 63 2HD LYS 63 13.963 0.046 -0.320 471 HD3 LYS 63 1HD LYS 63 15.413 -0.265 0.630 472 HE2 LYS 63 2HE LYS 63 14.497 -2.458 1.271 473 HE3 LYS 63 1HE LYS 63 13.081 -2.142 0.272 474 HZ1 LYS 63 3HZ LYS 63 15.881 -2.333 -0.707 475 HZ2 LYS 63 1HZ LYS 63 14.537 -2.044 -1.671 476 HZ3 LYS 63 2HZ LYS 63 14.722 -3.518 -0.879 477 H LYS 64 H LYS 64 15.556 3.551 0.468 478 HA LYS 64 HA LYS 64 15.453 5.894 2.255 479 HB2 LYS 64 2HB LYS 64 16.686 5.649 -0.493 480 HB3 LYS 64 1HB LYS 64 16.590 7.129 0.442 481 HG2 LYS 64 2HG LYS 64 18.108 4.656 1.232 482 HG3 LYS 64 1HG LYS 64 18.807 6.127 0.536 483 HD2 LYS 64 2HD LYS 64 17.989 7.388 2.505 484 HD3 LYS 64 1HD LYS 64 17.379 5.881 3.191 485 HE2 LYS 64 2HE LYS 64 19.650 4.974 3.223 486 HE3 LYS 64 1HE LYS 64 20.263 6.471 2.530 487 HZ1 LYS 64 3HZ LYS 64 19.437 7.631 4.545 488 HZ2 LYS 64 1HZ LYS 64 20.592 6.451 4.913 489 HZ3 LYS 64 2HZ LYS 64 18.974 6.142 5.178 490 H SER 65 H SER 65 14.510 7.816 1.211 491 HA SER 65 HA SER 65 11.940 7.232 0.267 492 HB2 SER 65 2HB SER 65 11.937 9.794 -0.171 493 HB3 SER 65 1HB SER 65 12.082 9.210 1.486 494 HG SER 65 HG SER 65 14.166 9.679 1.523 495 H GLY 66 H GLY 66 11.361 6.486 -1.542 496 HA2 GLY 66 2HA GLY 66 11.240 7.038 -3.993 497 HA3 GLY 66 1HA GLY 66 13.006 6.996 -3.940 498 H GLU 67 H GLU 67 12.260 4.802 -1.746 499 HA GLU 67 HA GLU 67 12.148 2.575 -3.620 500 HB2 GLU 67 2HB GLU 67 13.461 2.721 -0.908 501 HB3 GLU 67 1HB GLU 67 13.414 1.311 -1.959 502 HG2 GLU 67 2HG GLU 67 14.725 2.580 -3.626 503 HG3 GLU 67 1HG GLU 67 14.823 3.907 -2.474 504 H VAL 68 H VAL 68 11.246 0.606 -2.565 505 HA VAL 68 HA VAL 68 9.103 1.377 -0.720 506 HB VAL 68 HB VAL 68 8.250 0.921 -3.025 507 HG11 VAL 68 1HG1 VAL 68 9.846 -0.771 -3.709 508 HG12 VAL 68 2HG1 VAL 68 8.190 -1.343 -3.902 509 HG13 VAL 68 3HG1 VAL 68 9.164 -1.901 -2.539 510 HG21 VAL 68 3HG2 VAL 68 6.445 -0.500 -2.422 511 HG22 VAL 68 1HG2 VAL 68 6.817 0.580 -1.079 512 HG23 VAL 68 2HG2 VAL 68 7.331 -1.117 -1.012 513 H ALA 69 H ALA 69 8.858 0.194 1.047 514 HA ALA 69 HA ALA 69 10.572 -2.146 1.412 515 HB1 ALA 69 1HB ALA 69 10.811 -0.377 3.092 516 HB2 ALA 69 2HB ALA 69 10.103 -1.815 3.823 517 HB3 ALA 69 3HB ALA 69 9.081 -0.436 3.417 518 H VAL 70 H VAL 70 9.635 -4.132 1.592 519 HA VAL 70 HA VAL 70 6.693 -4.158 1.452 520 HB VAL 70 HB VAL 70 8.577 -6.183 0.237 521 HG11 VAL 70 1HG1 VAL 70 5.619 -5.803 -0.122 522 HG12 VAL 70 2HG1 VAL 70 6.419 -7.107 0.757 523 HG13 VAL 70 3HG1 VAL 70 6.620 -6.968 -0.990 524 HG21 VAL 70 3HG2 VAL 70 7.103 -3.958 -1.190 525 HG22 VAL 70 1HG2 VAL 70 8.043 -5.231 -1.972 526 HG23 VAL 70 2HG2 VAL 70 8.847 -4.045 -0.943 527 H LEU 71 H LEU 71 5.639 -5.543 2.765 528 HA LEU 71 HA LEU 71 7.230 -7.418 4.407 529 HB2 LEU 71 2HB LEU 71 4.646 -6.053 5.201 530 HB3 LEU 71 1HB LEU 71 5.466 -7.262 6.135 531 HG LEU 71 HG LEU 71 6.447 -4.471 5.570 532 HD11 LEU 71 1HD1 LEU 71 6.261 -4.203 7.988 533 HD12 LEU 71 2HD1 LEU 71 5.670 -5.852 8.135 534 HD13 LEU 71 3HD1 LEU 71 4.705 -4.645 7.287 535 HD21 LEU 71 3HD2 LEU 71 8.344 -6.008 5.534 536 HD22 LEU 71 1HD2 LEU 71 7.816 -6.709 7.065 537 HD23 LEU 71 2HD2 LEU 71 8.356 -5.034 7.002 538 H LYS 72 H LYS 72 6.781 -9.470 4.110 539 HA LYS 72 HA LYS 72 4.303 -10.147 2.713 540 HB2 LYS 72 2HB LYS 72 6.324 -10.878 1.652 541 HB3 LYS 72 1HB LYS 72 6.820 -11.705 3.145 542 HG2 LYS 72 2HG LYS 72 4.911 -13.230 2.890 543 HG3 LYS 72 1HG LYS 72 4.464 -12.410 1.393 544 HD2 LYS 72 2HD LYS 72 6.635 -13.018 0.419 545 HD3 LYS 72 1HD LYS 72 7.061 -13.833 1.923 546 HE2 LYS 72 2HE LYS 72 5.207 -15.394 1.602 547 HE3 LYS 72 1HE LYS 72 4.761 -14.561 0.114 548 HZ1 LYS 72 3HZ LYS 72 6.937 -15.162 -0.803 549 HZ2 LYS 72 1HZ LYS 72 6.064 -16.537 -0.374 550 HZ3 LYS 72 2HZ LYS 72 7.327 -15.985 0.595 551 H ARG 73 H ARG 73 2.821 -11.122 3.756 552 HA ARG 73 HA ARG 73 3.490 -12.321 6.378 553 HB2 ARG 73 2HB ARG 73 0.769 -11.350 5.437 554 HB3 ARG 73 1HB ARG 73 1.131 -12.012 7.015 555 HG2 ARG 73 2HG ARG 73 2.177 -9.393 5.924 556 HG3 ARG 73 1HG ARG 73 0.820 -9.567 7.025 557 HD2 ARG 73 2HD ARG 73 2.674 -8.894 8.354 558 HD3 ARG 73 1HD ARG 73 2.472 -10.612 8.667 559 HE ARG 73 HE ARG 73 4.354 -10.720 6.821 560 HH11 ARG 73 1HH1 ARG 73 4.129 -8.436 9.558 561 HH12 ARG 73 2HH1 ARG 73 5.819 -8.190 9.631 562 HH21 ARG 73 1HH2 ARG 73 6.670 -10.350 6.993 563 HH22 ARG 73 2HH2 ARG 73 7.254 -9.299 8.204 564 H ASP 74 H ASP 74 0.813 -12.591 4.110 565 HA ASP 74 HA ASP 74 1.572 -14.797 2.696 566 HB2 ASP 74 2HB ASP 74 1.296 -16.135 4.767 567 HB3 ASP 74 1HB ASP 74 -0.344 -15.515 4.944 568 H GLY 75 H GLY 75 0.324 -14.772 0.963 569 HA2 GLY 75 2HA GLY 75 -1.689 -14.622 -0.203 570 HA3 GLY 75 1HA GLY 75 -2.446 -13.925 1.226 571 H ARG 76 H ARG 76 -0.682 -11.825 1.770 572 HA ARG 76 HA ARG 76 -0.772 -10.253 -0.664 573 HB2 ARG 76 2HB ARG 76 -1.608 -8.336 0.721 574 HB3 ARG 76 1HB ARG 76 -2.796 -9.600 0.403 575 HG2 ARG 76 2HG ARG 76 -2.528 -10.448 2.634 576 HG3 ARG 76 1HG ARG 76 -1.183 -9.355 2.924 577 HD2 ARG 76 2HD ARG 76 -3.257 -8.594 3.975 578 HD3 ARG 76 1HD ARG 76 -2.609 -7.462 2.793 579 HE ARG 76 HE ARG 76 -4.352 -8.365 1.238 580 HH11 ARG 76 1HH1 ARG 76 -4.910 -8.722 4.727 581 HH12 ARG 76 2HH1 ARG 76 -6.592 -8.416 4.631 582 HH21 ARG 76 1HH2 ARG 76 -6.712 -7.953 1.149 583 HH22 ARG 76 2HH2 ARG 76 -7.606 -7.959 2.589 584 H TYR 77 H TYR 77 0.614 -8.573 -0.729 585 HA TYR 77 HA TYR 77 2.797 -8.605 1.217 586 HB2 TYR 77 2HB TYR 77 2.690 -7.715 -1.680 587 HB3 TYR 77 1HB TYR 77 4.062 -7.408 -0.625 588 HD1 TYR 77 2HD TYR 77 2.084 -10.112 -2.245 589 HD2 TYR 77 1HD TYR 77 5.677 -9.074 -0.222 590 HE1 TYR 77 2HE TYR 77 3.038 -12.316 -2.807 591 HE2 TYR 77 1HE TYR 77 6.633 -11.252 -0.775 592 HH TYR 77 HH TYR 77 5.290 -13.301 -3.064 593 H ILE 78 H ILE 78 3.309 -6.730 2.261 594 HA ILE 78 HA ILE 78 1.369 -4.562 1.931 595 HB ILE 78 HB ILE 78 3.422 -4.811 4.139 596 HG12 ILE 78 2HG1 ILE 78 2.069 -6.871 4.203 597 HG13 ILE 78 1HG1 ILE 78 1.696 -5.834 5.568 598 HG21 ILE 78 1HG2 ILE 78 0.779 -3.376 3.936 599 HG22 ILE 78 2HG2 ILE 78 2.380 -2.642 3.839 600 HG23 ILE 78 3HG2 ILE 78 1.836 -3.377 5.350 601 HD11 ILE 78 3HD1 ILE 78 -0.331 -5.094 4.426 602 HD12 ILE 78 1HD1 ILE 78 -0.286 -6.847 4.663 603 HD13 ILE 78 2HD1 ILE 78 0.070 -6.164 3.072 604 H TYR 79 H TYR 79 2.029 -2.817 0.892 605 HA TYR 79 HA TYR 79 4.877 -2.458 0.407 606 HB2 TYR 79 2HB TYR 79 2.477 -1.391 -1.046 607 HB3 TYR 79 1HB TYR 79 4.131 -0.906 -1.399 608 HD1 TYR 79 1HD TYR 79 1.672 -3.613 -1.599 609 HD2 TYR 79 2HD TYR 79 5.645 -2.400 -2.456 610 HE1 TYR 79 1HE TYR 79 1.933 -5.540 -3.074 611 HE2 TYR 79 2HE TYR 79 5.926 -4.303 -3.928 612 HH TYR 79 HH TYR 79 3.352 -6.222 -4.959 613 H TYR 80 H TYR 80 5.857 -1.140 1.608 614 HA TYR 80 HA TYR 80 4.483 1.232 2.548 615 HB2 TYR 80 2HB TYR 80 7.028 -0.105 3.449 616 HB3 TYR 80 1HB TYR 80 6.472 1.448 4.052 617 HD1 TYR 80 2HD TYR 80 5.778 -2.160 3.959 618 HD2 TYR 80 1HD TYR 80 4.757 1.575 5.689 619 HE1 TYR 80 2HE TYR 80 4.490 -3.320 5.689 620 HE2 TYR 80 1HE TYR 80 3.463 0.421 7.437 621 HH TYR 80 HH TYR 80 3.698 -2.917 7.939 622 H LEU 81 H LEU 81 4.595 2.507 0.857 623 HA LEU 81 HA LEU 81 6.857 2.810 -0.871 624 HB2 LEU 81 2HB LEU 81 4.516 4.625 -0.292 625 HB3 LEU 81 1HB LEU 81 5.566 4.761 -1.672 626 HG LEU 81 HG LEU 81 3.602 2.538 -1.107 627 HD11 LEU 81 1HD1 LEU 81 2.537 4.604 -1.775 628 HD12 LEU 81 2HD1 LEU 81 2.431 3.412 -3.071 629 HD13 LEU 81 3HD1 LEU 81 3.607 4.722 -3.171 630 HD21 LEU 81 3HD2 LEU 81 5.401 2.916 -3.515 631 HD22 LEU 81 1HD2 LEU 81 4.161 1.683 -3.325 632 HD23 LEU 81 2HD2 LEU 81 5.582 1.676 -2.283 633 H ILE 82 H ILE 82 8.708 3.777 -0.184 634 HA ILE 82 HA ILE 82 8.538 5.479 2.140 635 HB ILE 82 HB ILE 82 10.985 4.858 0.456 636 HG12 ILE 82 2HG1 ILE 82 10.016 2.756 1.400 637 HG13 ILE 82 1HG1 ILE 82 11.590 3.147 2.077 638 HG21 ILE 82 1HG2 ILE 82 12.181 5.572 2.429 639 HG22 ILE 82 2HG2 ILE 82 10.645 5.795 3.274 640 HG23 ILE 82 3HG2 ILE 82 11.053 6.848 1.931 641 HD11 ILE 82 3HD1 ILE 82 10.454 4.023 4.091 642 HD12 ILE 82 1HD1 ILE 82 10.106 2.322 3.789 643 HD13 ILE 82 2HD1 ILE 82 8.909 3.553 3.395 644 H THR 83 H THR 83 7.596 7.309 1.567 645 HA THR 83 HA THR 83 8.146 8.426 -1.027 646 HB THR 83 HB THR 83 6.224 9.460 1.031 647 HG1 THR 83 1HG THR 83 6.203 7.174 -0.630 648 HG21 THR 83 3HG2 THR 83 6.623 10.809 -0.951 649 HG22 THR 83 1HG2 THR 83 5.005 10.083 -0.961 650 HG23 THR 83 2HG2 THR 83 6.289 9.379 -1.958 651 H LYS 84 H LYS 84 8.763 9.212 2.461 652 HA LYS 84 HA LYS 84 10.285 11.421 1.477 653 HB2 LYS 84 2HB LYS 84 9.403 12.882 3.142 654 HB3 LYS 84 1HB LYS 84 8.138 12.351 2.070 655 HG2 LYS 84 2HG LYS 84 8.565 11.163 4.824 656 HG3 LYS 84 1HG LYS 84 7.519 12.539 4.524 657 HD2 LYS 84 2HD LYS 84 6.152 11.108 3.018 658 HD3 LYS 84 1HD LYS 84 7.196 9.741 3.417 659 HE2 LYS 84 2HE LYS 84 5.168 9.679 4.771 660 HE3 LYS 84 1HE LYS 84 6.572 9.962 5.790 661 HZ1 LYS 84 3HZ LYS 84 5.924 12.428 5.710 662 HZ2 LYS 84 1HZ LYS 84 4.828 11.400 6.488 663 HZ3 LYS 84 2HZ LYS 84 4.498 11.907 4.956 664 H LYS 85 H LYS 85 11.817 12.202 3.085 665 HA LYS 85 HA LYS 85 13.185 10.072 4.254 666 HB2 LYS 85 2HB LYS 85 13.611 13.032 4.743 667 HB3 LYS 85 1HB LYS 85 14.710 11.773 5.268 668 HG2 LYS 85 2HG LYS 85 15.045 11.146 2.894 669 HG3 LYS 85 1HG LYS 85 14.003 12.502 2.446 670 HD2 LYS 85 2HD LYS 85 15.552 14.058 3.540 671 HD3 LYS 85 1HD LYS 85 16.591 12.704 3.974 672 HE2 LYS 85 2HE LYS 85 16.962 12.199 1.620 673 HE3 LYS 85 1HE LYS 85 15.881 13.505 1.152 674 HZ1 LYS 85 3HZ LYS 85 17.413 15.081 2.136 675 HZ2 LYS 85 1HZ LYS 85 18.197 14.122 0.995 676 HZ3 LYS 85 2HZ LYS 85 18.445 13.817 2.618 677 H ARG 86 H ARG 86 12.264 12.962 6.082 678 HA ARG 86 HA ARG 86 11.945 11.454 8.543 679 HB2 ARG 86 2HB ARG 86 11.434 14.387 8.016 680 HB3 ARG 86 1HB ARG 86 11.491 13.613 9.589 681 HG2 ARG 86 2HG ARG 86 13.776 13.843 7.665 682 HG3 ARG 86 1HG ARG 86 13.537 14.842 9.103 683 HD2 ARG 86 2HD ARG 86 13.588 12.879 10.469 684 HD3 ARG 86 1HD ARG 86 13.851 11.877 9.027 685 HE ARG 86 HE ARG 86 15.810 13.897 9.194 686 HH11 ARG 86 1HH1 ARG 86 15.030 10.772 10.734 687 HH12 ARG 86 2HH1 ARG 86 16.635 10.473 11.179 688 HH21 ARG 86 1HH2 ARG 86 18.015 13.418 9.800 689 HH22 ARG 86 2HH2 ARG 86 18.354 11.972 10.618 690 H ALA 87 H ALA 87 9.983 11.862 9.913 691 HA ALA 87 HA ALA 87 7.755 10.876 8.520 692 HB1 ALA 87 1HB ALA 87 8.245 10.371 10.853 693 HB2 ALA 87 2HB ALA 87 6.619 11.012 10.625 694 HB3 ALA 87 3HB ALA 87 7.889 12.048 11.283 695 H SER 88 H SER 88 8.618 14.143 9.564 696 HA SER 88 HA SER 88 6.002 15.134 8.840 697 HB2 SER 88 2HB SER 88 7.192 16.052 10.819 698 HB3 SER 88 1HB SER 88 8.458 16.659 9.752 699 HG SER 88 HG SER 88 5.773 17.444 9.966 700 H HIS 89 H HIS 89 8.534 14.174 7.035 701 HA HIS 89 HA HIS 89 8.645 16.399 5.287 702 HB2 HIS 89 2HB HIS 89 9.626 13.573 4.923 703 HB3 HIS 89 1HB HIS 89 9.536 14.687 3.587 704 HD1 HIS 89 1HD HIS 89 12.118 14.795 3.275 705 HD2 HIS 89 2HD HIS 89 10.720 15.975 6.977 706 HE1 HIS 89 1HE HIS 89 14.098 15.767 4.415 707 HE2 HIS 89 2HE HIS 89 13.077 16.916 6.388 708 H LYS 90 H LYS 90 7.795 16.649 3.518 709 HA LYS 90 HA LYS 90 5.243 15.287 3.167 710 HB2 LYS 90 2HB LYS 90 6.077 18.078 2.490 711 HB3 LYS 90 1HB LYS 90 4.595 17.370 1.850 712 HG2 LYS 90 2HG LYS 90 3.646 17.105 3.979 713 HG3 LYS 90 1HG LYS 90 5.187 17.349 4.791 714 HD2 LYS 90 2HD LYS 90 3.809 19.470 3.177 715 HD3 LYS 90 1HD LYS 90 3.555 19.264 4.912 716 HE2 LYS 90 2HE LYS 90 6.221 19.774 3.581 717 HE3 LYS 90 1HE LYS 90 5.254 20.971 4.437 718 HZ1 LYS 90 3HZ LYS 90 6.996 20.068 5.876 719 HZ2 LYS 90 1HZ LYS 90 6.385 18.505 5.716 720 HZ3 LYS 90 2HZ LYS 90 5.482 19.699 6.462 721 HA PRO 91 HA PRO 91 6.465 13.108 -0.324 722 HB2 PRO 91 2HB PRO 91 4.041 12.925 -1.595 723 HB3 PRO 91 1HB PRO 91 4.511 11.953 -0.193 724 HG2 PRO 91 2HG PRO 91 2.903 14.474 -0.284 725 HG3 PRO 91 1HG PRO 91 2.577 12.975 0.609 726 HD2 PRO 91 2HD PRO 91 3.622 15.058 1.844 727 HD3 PRO 91 1HD PRO 91 4.219 13.424 2.200 728 H THR 92 H THR 92 7.179 13.451 -2.373 729 HA THR 92 HA THR 92 6.242 15.789 -3.748 730 HB THR 92 HB THR 92 8.553 15.209 -4.975 731 HG1 THR 92 1HG THR 92 10.022 14.382 -3.659 732 HG21 THR 92 3HG2 THR 92 9.689 16.818 -3.519 733 HG22 THR 92 1HG2 THR 92 8.412 16.638 -2.313 734 HG23 THR 92 2HG2 THR 92 8.050 17.358 -3.885 735 H TYR 93 H TYR 93 6.033 15.467 -6.077 736 HA TYR 93 HA TYR 93 4.611 13.141 -6.674 737 HB2 TYR 93 2HB TYR 93 5.855 15.109 -8.585 738 HB3 TYR 93 1HB TYR 93 4.777 13.813 -9.065 739 HD1 TYR 93 2HD TYR 93 2.425 13.797 -8.092 740 HD2 TYR 93 1HD TYR 93 4.988 17.169 -7.866 741 HE1 TYR 93 2HE TYR 93 0.490 15.227 -7.711 742 HE2 TYR 93 1HE TYR 93 3.052 18.623 -7.487 743 HH TYR 93 HH TYR 93 0.672 18.625 -7.941 744 H GLU 94 H GLU 94 7.906 14.051 -7.515 745 HA GLU 94 HA GLU 94 8.495 11.746 -9.074 746 HB2 GLU 94 2HB GLU 94 10.324 13.646 -7.614 747 HB3 GLU 94 1HB GLU 94 10.847 12.457 -8.804 748 HG2 GLU 94 2HG GLU 94 9.645 13.517 -10.531 749 HG3 GLU 94 1HG GLU 94 8.828 14.597 -9.410 750 H ASN 95 H ASN 95 9.045 12.427 -5.639 751 HA ASN 95 HA ASN 95 10.325 9.983 -5.034 752 HB2 ASN 95 2HB ASN 95 8.773 11.983 -3.481 753 HB3 ASN 95 1HB ASN 95 9.250 10.466 -2.681 754 HD21 ASN 95 1HD2 ASN 95 10.511 11.522 -1.270 755 HD22 ASN 95 2HD2 ASN 95 11.988 12.334 -1.682 756 H LEU 96 H LEU 96 6.909 10.915 -4.879 757 HA LEU 96 HA LEU 96 5.973 8.392 -4.090 758 HB2 LEU 96 2HB LEU 96 4.667 10.500 -4.008 759 HB3 LEU 96 1HB LEU 96 4.579 10.495 -5.755 760 HG LEU 96 HG LEU 96 3.246 8.414 -5.664 761 HD11 LEU 96 1HD1 LEU 96 4.083 7.497 -3.561 762 HD12 LEU 96 2HD1 LEU 96 2.331 7.664 -3.517 763 HD13 LEU 96 3HD1 LEU 96 3.346 8.835 -2.678 764 HD21 LEU 96 3HD2 LEU 96 2.150 10.584 -5.757 765 HD22 LEU 96 1HD2 LEU 96 2.179 10.684 -3.998 766 HD23 LEU 96 2HD2 LEU 96 1.205 9.445 -4.792 767 H GLN 97 H GLN 97 6.479 9.820 -7.340 768 HA GLN 97 HA GLN 97 5.532 7.894 -8.976 769 HB2 GLN 97 2HB GLN 97 6.268 10.149 -9.546 770 HB3 GLN 97 1HB GLN 97 7.916 9.714 -9.152 771 HG2 GLN 97 2HG GLN 97 8.021 8.252 -10.913 772 HG3 GLN 97 1HG GLN 97 6.287 8.504 -11.307 773 HE21 GLN 97 1HE2 GLN 97 6.746 9.330 -13.411 774 HE22 GLN 97 2HE2 GLN 97 7.466 10.872 -13.649 775 H LYS 98 H LYS 98 8.726 8.200 -7.450 776 HA LYS 98 HA LYS 98 9.819 5.891 -8.626 777 HB2 LYS 98 2HB LYS 98 10.606 7.448 -6.204 778 HB3 LYS 98 1HB LYS 98 11.549 6.088 -6.760 779 HG2 LYS 98 2HG LYS 98 10.987 8.647 -8.247 780 HG3 LYS 98 1HG LYS 98 12.514 8.095 -7.554 781 HD2 LYS 98 2HD LYS 98 12.550 6.205 -9.135 782 HD3 LYS 98 1HD LYS 98 11.036 6.776 -9.835 783 HE2 LYS 98 2HE LYS 98 12.131 8.878 -10.450 784 HE3 LYS 98 1HE LYS 98 13.641 8.274 -9.794 785 HZ1 LYS 98 3HZ LYS 98 13.548 7.993 -12.173 786 HZ2 LYS 98 1HZ LYS 98 12.166 7.030 -12.066 787 HZ3 LYS 98 2HZ LYS 98 13.633 6.505 -11.411 788 H SER 99 H SER 99 8.187 6.379 -5.515 789 HA SER 99 HA SER 99 8.568 3.706 -4.659 790 HB2 SER 99 2HB SER 99 6.818 4.179 -3.005 791 HB3 SER 99 1HB SER 99 8.033 5.430 -3.057 792 HG SER 99 HG SER 99 6.122 6.168 -4.753 793 H LEU 100 H LEU 100 5.947 5.171 -6.628 794 HA LEU 100 HA LEU 100 4.374 2.837 -6.921 795 HB2 LEU 100 2HB LEU 100 4.817 5.341 -8.534 796 HB3 LEU 100 1HB LEU 100 3.871 4.037 -9.195 797 HG LEU 100 HG LEU 100 2.666 5.995 -8.160 798 HD11 LEU 100 1HD1 LEU 100 0.902 4.542 -7.178 799 HD12 LEU 100 2HD1 LEU 100 2.058 3.210 -7.152 800 HD13 LEU 100 3HD1 LEU 100 1.541 3.901 -8.690 801 HD21 LEU 100 3HD2 LEU 100 2.247 5.904 -5.737 802 HD22 LEU 100 1HD2 LEU 100 3.941 6.232 -6.106 803 HD23 LEU 100 2HD2 LEU 100 3.445 4.620 -5.595 804 H GLU 101 H GLU 101 7.096 4.051 -8.893 805 HA GLU 101 HA GLU 101 7.198 2.040 -10.831 806 HB2 GLU 101 2HB GLU 101 9.394 3.544 -9.410 807 HB3 GLU 101 1HB GLU 101 9.736 2.412 -10.694 808 HG2 GLU 101 2HG GLU 101 7.888 4.706 -11.088 809 HG3 GLU 101 1HG GLU 101 9.641 4.904 -11.183 810 H ALA 102 H ALA 102 8.861 2.196 -7.771 811 HA ALA 102 HA ALA 102 10.110 -0.303 -7.795 812 HB1 ALA 102 1HB ALA 102 10.618 1.535 -6.204 813 HB2 ALA 102 2HB ALA 102 10.433 -0.043 -5.454 814 HB3 ALA 102 3HB ALA 102 9.127 1.134 -5.331 815 H MET 103 H MET 103 7.014 0.648 -6.440 816 HA MET 103 HA MET 103 6.290 -1.827 -5.408 817 HB2 MET 103 2HB MET 103 5.256 0.090 -4.539 818 HB3 MET 103 1HB MET 103 4.770 0.649 -6.131 819 HG2 MET 103 2HG MET 103 3.202 -0.901 -6.348 820 HG3 MET 103 1HG MET 103 3.689 -1.878 -4.919 821 HE1 MET 103 3HE MET 103 3.142 2.008 -5.512 822 HE2 MET 103 1HE MET 103 1.467 2.171 -4.993 823 HE3 MET 103 2HE MET 103 1.859 1.192 -6.412 824 H LYS 104 H LYS 104 5.420 -0.275 -8.531 825 HA LYS 104 HA LYS 104 3.691 -2.340 -9.257 826 HB2 LYS 104 2HB LYS 104 3.484 -1.209 -11.387 827 HB3 LYS 104 1HB LYS 104 3.612 -0.028 -10.115 828 HG2 LYS 104 2HG LYS 104 4.673 0.757 -11.944 829 HG3 LYS 104 1HG LYS 104 5.956 0.368 -10.779 830 HD2 LYS 104 2HD LYS 104 6.354 -1.704 -12.091 831 HD3 LYS 104 1HD LYS 104 5.065 -1.173 -13.191 832 HE2 LYS 104 2HE LYS 104 6.285 0.702 -13.867 833 HE3 LYS 104 1HE LYS 104 7.543 0.438 -12.650 834 HZ1 LYS 104 3HZ LYS 104 8.261 -0.308 -14.822 835 HZ2 LYS 104 1HZ LYS 104 6.932 -1.333 -14.957 836 HZ3 LYS 104 2HZ LYS 104 8.124 -1.613 -13.789 837 H SER 105 H SER 105 7.138 -1.838 -9.928 838 HA SER 105 HA SER 105 7.364 -3.986 -11.745 839 HB2 SER 105 2HB SER 105 9.481 -2.732 -9.995 840 HB3 SER 105 1HB SER 105 9.765 -3.699 -11.443 841 HG SER 105 HG SER 105 9.362 -1.132 -11.231 842 H HIS 106 H HIS 106 7.490 -3.763 -8.271 843 HA HIS 106 HA HIS 106 8.640 -6.334 -7.784 844 HB2 HIS 106 2HB HIS 106 8.658 -4.606 -6.051 845 HB3 HIS 106 1HB HIS 106 6.896 -4.627 -6.007 846 HD1 HIS 106 1HD HIS 106 5.925 -6.086 -4.224 847 HD2 HIS 106 2HD HIS 106 9.615 -7.380 -5.518 848 HE1 HIS 106 1HE HIS 106 6.438 -7.909 -2.735 849 HE2 HIS 106 2HE HIS 106 8.918 -8.352 -3.174 850 H CYS 107 H CYS 107 5.389 -5.207 -8.280 851 HA CYS 107 HA CYS 107 4.104 -7.478 -7.304 852 HB2 CYS 107 2HB CYS 107 3.264 -5.469 -9.352 853 HB3 CYS 107 1HB CYS 107 2.163 -6.645 -8.646 854 HG CYS 107 HG CYS 107 3.632 -3.949 -7.221 855 H LEU 108 H LEU 108 5.485 -6.774 -10.473 856 HA LEU 108 HA LEU 108 4.507 -8.933 -11.899 857 HB2 LEU 108 2HB LEU 108 7.080 -7.408 -12.044 858 HB3 LEU 108 1HB LEU 108 6.752 -8.752 -13.107 859 HG LEU 108 HG LEU 108 4.883 -7.522 -14.114 860 HD11 LEU 108 1HD1 LEU 108 4.471 -5.193 -13.584 861 HD12 LEU 108 2HD1 LEU 108 5.638 -5.274 -12.265 862 HD13 LEU 108 3HD1 LEU 108 4.155 -6.222 -12.190 863 HD21 LEU 108 3HD2 LEU 108 6.219 -5.729 -15.152 864 HD22 LEU 108 1HD2 LEU 108 7.064 -7.287 -15.043 865 HD23 LEU 108 2HD2 LEU 108 7.438 -6.017 -13.891 866 H LYS 109 H LYS 109 7.302 -8.740 -9.641 867 HA LYS 109 HA LYS 109 8.366 -11.263 -10.381 868 HB2 LYS 109 2HB LYS 109 8.761 -9.658 -7.872 869 HB3 LYS 109 1HB LYS 109 9.820 -10.927 -8.482 870 HG2 LYS 109 2HG LYS 109 10.155 -9.623 -10.484 871 HG3 LYS 109 1HG LYS 109 9.208 -8.320 -9.804 872 HD2 LYS 109 2HD LYS 109 10.762 -8.146 -7.895 873 HD3 LYS 109 1HD LYS 109 11.769 -9.400 -8.616 874 HE2 LYS 109 2HE LYS 109 12.180 -7.991 -10.559 875 HE3 LYS 109 1HE LYS 109 11.121 -6.746 -9.901 876 HZ1 LYS 109 3HZ LYS 109 13.694 -7.659 -8.700 877 HZ2 LYS 109 1HZ LYS 109 12.653 -6.506 -8.037 878 HZ3 LYS 109 2HZ LYS 109 13.388 -6.192 -9.486 879 H ASN 110 H ASN 110 5.816 -10.369 -8.596 880 HA ASN 110 HA ASN 110 5.815 -12.878 -6.995 881 HB2 ASN 110 2HB ASN 110 4.592 -10.226 -6.283 882 HB3 ASN 110 1HB ASN 110 4.347 -11.706 -5.352 883 HD21 ASN 110 1HD2 ASN 110 6.680 -9.331 -6.404 884 HD22 ASN 110 2HD2 ASN 110 7.869 -9.723 -5.219 885 H GLY 111 H GLY 111 4.112 -11.195 -9.391 886 HA2 GLY 111 2HA GLY 111 2.304 -11.963 -10.615 887 HA3 GLY 111 1HA GLY 111 2.125 -13.280 -9.458 888 H VAL 112 H VAL 112 2.293 -9.892 -8.644 889 HA VAL 112 HA VAL 112 -0.336 -10.123 -7.414 890 HB VAL 112 HB VAL 112 1.750 -7.918 -7.161 891 HG11 VAL 112 1HG1 VAL 112 -0.504 -7.050 -6.829 892 HG12 VAL 112 2HG1 VAL 112 0.386 -7.089 -5.304 893 HG13 VAL 112 3HG1 VAL 112 -0.830 -8.321 -5.648 894 HG21 VAL 112 3HG2 VAL 112 2.101 -8.791 -4.900 895 HG22 VAL 112 1HG2 VAL 112 2.463 -10.004 -6.129 896 HG23 VAL 112 2HG2 VAL 112 0.949 -10.085 -5.223 897 H THR 113 H THR 113 -2.055 -9.212 -8.269 898 HA THR 113 HA THR 113 -1.755 -7.213 -10.431 899 HB THR 113 HB THR 113 -2.174 -9.299 -11.571 900 HG1 THR 113 1HG THR 113 -3.519 -7.647 -12.384 901 HG21 THR 113 3HG2 THR 113 -2.888 -10.668 -9.697 902 HG22 THR 113 1HG2 THR 113 -4.051 -10.804 -11.019 903 HG23 THR 113 2HG2 THR 113 -4.417 -9.797 -9.614 904 H ASP 114 H ASP 114 -2.878 -7.697 -7.389 905 HA ASP 114 HA ASP 114 -5.040 -5.760 -7.864 906 HB2 ASP 114 2HB ASP 114 -5.174 -8.089 -5.907 907 HB3 ASP 114 1HB ASP 114 -6.457 -6.938 -6.255 908 H LEU 115 H LEU 115 -4.751 -4.000 -6.595 909 HA LEU 115 HA LEU 115 -3.162 -4.222 -4.140 910 HB2 LEU 115 2HB LEU 115 -2.726 -2.244 -6.369 911 HB3 LEU 115 1HB LEU 115 -2.106 -2.018 -4.749 912 HG LEU 115 HG LEU 115 -1.378 -4.326 -6.545 913 HD11 LEU 115 1HD1 LEU 115 0.770 -3.127 -6.810 914 HD12 LEU 115 2HD1 LEU 115 0.137 -1.784 -5.858 915 HD13 LEU 115 3HD1 LEU 115 -0.568 -2.159 -7.431 916 HD21 LEU 115 3HD2 LEU 115 0.400 -4.685 -4.918 917 HD22 LEU 115 1HD2 LEU 115 -1.200 -4.771 -4.182 918 HD23 LEU 115 2HD2 LEU 115 -0.201 -3.330 -3.958 919 H SER 116 H SER 116 -3.719 -2.772 -2.495 920 HA SER 116 HA SER 116 -5.810 -0.914 -3.145 921 HB2 SER 116 2HB SER 116 -6.889 -1.594 -0.961 922 HB3 SER 116 1HB SER 116 -7.002 -2.791 -2.254 923 HG SER 116 HG SER 116 -4.978 -3.656 -1.214 924 H MET 117 H MET 117 -5.494 0.985 -2.286 925 HA MET 117 HA MET 117 -3.709 1.291 -0.013 926 HB2 MET 117 2HB MET 117 -2.581 3.210 -1.106 927 HB3 MET 117 1HB MET 117 -2.257 1.709 -1.939 928 HG2 MET 117 2HG MET 117 -4.310 3.725 -2.818 929 HG3 MET 117 1HG MET 117 -2.647 3.705 -3.394 930 HE1 MET 117 3HE MET 117 -1.611 1.754 -4.834 931 HE2 MET 117 1HE MET 117 -2.493 0.307 -5.336 932 HE3 MET 117 2HE MET 117 -2.092 0.543 -3.637 933 HA PRO 118 HA PRO 118 -6.859 4.282 0.913 934 HB2 PRO 118 2HB PRO 118 -5.733 5.613 2.886 935 HB3 PRO 118 1HB PRO 118 -5.972 3.868 3.070 936 HG2 PRO 118 2HG PRO 118 -3.491 5.348 2.261 937 HG3 PRO 118 1HG PRO 118 -3.671 4.084 3.490 938 HD2 PRO 118 2HD PRO 118 -2.824 3.592 0.945 939 HD3 PRO 118 1HD PRO 118 -3.689 2.399 1.935 940 H ARG 119 H ARG 119 -6.415 6.834 1.740 941 HA ARG 119 HA ARG 119 -5.752 8.294 -0.579 942 HB2 ARG 119 2HB ARG 119 -7.367 9.060 1.082 943 HB3 ARG 119 1HB ARG 119 -6.106 9.125 2.294 944 HG2 ARG 119 2HG ARG 119 -5.035 10.944 1.063 945 HG3 ARG 119 1HG ARG 119 -6.321 10.867 -0.149 946 HD2 ARG 119 2HD ARG 119 -7.985 11.309 1.565 947 HD3 ARG 119 1HD ARG 119 -6.721 11.353 2.786 948 HE ARG 119 HE ARG 119 -6.041 13.227 0.919 949 HH11 ARG 119 1HH1 ARG 119 -8.757 12.605 3.114 950 HH12 ARG 119 2HH1 ARG 119 -9.187 14.247 3.269 951 HH21 ARG 119 1HH2 ARG 119 -6.582 15.466 1.166 952 HH22 ARG 119 2HH2 ARG 119 -7.920 15.934 2.123 953 H ILE 120 H ILE 120 -3.697 7.792 -1.161 954 HA ILE 120 HA ILE 120 -1.531 7.911 0.696 955 HB ILE 120 HB ILE 120 -0.072 7.446 -1.272 956 HG12 ILE 120 2HG1 ILE 120 -2.711 7.316 -2.772 957 HG13 ILE 120 1HG1 ILE 120 -1.444 8.507 -3.017 958 HG21 ILE 120 1HG2 ILE 120 -0.908 5.649 0.105 959 HG22 ILE 120 2HG2 ILE 120 -0.854 5.134 -1.584 960 HG23 ILE 120 3HG2 ILE 120 -2.393 5.576 -0.843 961 HD11 ILE 120 3HD1 ILE 120 -1.446 6.810 -4.752 962 HD12 ILE 120 1HD1 ILE 120 -1.215 5.547 -3.547 963 HD13 ILE 120 2HD1 ILE 120 0.052 6.748 -3.824 964 H GLY 121 H GLY 121 0.292 9.205 0.495 965 HA2 GLY 121 2HA GLY 121 1.276 11.207 -0.535 966 HA3 GLY 121 1HA GLY 121 -0.362 11.871 -0.545 967 H CYS 122 H CYS 122 -1.064 12.962 1.169 968 HA CYS 122 HA CYS 122 -0.381 12.460 3.825 969 HB2 CYS 122 2HB CYS 122 1.824 13.457 2.980 970 HB3 CYS 122 1HB CYS 122 0.942 14.936 2.642 971 HG CYS 122 HG CYS 122 0.875 13.694 5.805 972 H GLY 123 H GLY 123 -1.071 14.738 5.041 973 HA2 GLY 123 2HA GLY 123 -3.755 15.187 4.034 974 HA3 GLY 123 1HA GLY 123 -3.103 15.738 5.568 975 H LEU 124 H LEU 124 -2.053 16.285 2.237 976 HA LEU 124 HA LEU 124 -2.589 19.149 2.557 977 HB2 LEU 124 2HB LEU 124 -0.038 17.978 1.428 978 HB3 LEU 124 1HB LEU 124 -0.500 19.648 1.261 979 HG LEU 124 HG LEU 124 1.147 19.578 2.891 980 HD11 LEU 124 1HD1 LEU 124 -0.605 21.064 3.472 981 HD12 LEU 124 2HD1 LEU 124 0.096 20.368 4.932 982 HD13 LEU 124 3HD1 LEU 124 -1.460 19.790 4.339 983 HD21 LEU 124 3HD2 LEU 124 1.161 17.218 3.375 984 HD22 LEU 124 1HD2 LEU 124 -0.344 17.357 4.277 985 HD23 LEU 124 2HD2 LEU 124 1.123 18.139 4.880 986 H ASP 125 H ASP 125 -3.441 20.087 0.799 987 HA ASP 125 HA ASP 125 -4.029 18.423 -1.508 988 HB2 ASP 125 2HB ASP 125 -5.779 19.917 -0.501 989 HB3 ASP 125 1HB ASP 125 -4.802 21.310 -0.936 990 H ARG 126 H ARG 126 -1.452 19.956 -0.571 991 HA ARG 126 HA ARG 126 -0.655 21.618 -2.669 992 HB2 ARG 126 2HB ARG 126 0.921 20.075 -0.639 993 HB3 ARG 126 1HB ARG 126 1.768 20.859 -1.962 994 HG2 ARG 126 2HG ARG 126 1.698 22.228 0.108 995 HG3 ARG 126 1HG ARG 126 0.972 23.023 -1.279 996 HD2 ARG 126 2HD ARG 126 -1.261 22.341 -0.430 997 HD3 ARG 126 1HD ARG 126 -0.476 21.646 0.985 998 HE ARG 126 HE ARG 126 0.380 23.934 1.405 999 HH11 ARG 126 1HH1 ARG 126 -2.643 23.480 -0.424 1000 HH12 ARG 126 2HH1 ARG 126 -3.335 24.932 0.089 1001 HH21 ARG 126 1HH2 ARG 126 -0.612 25.966 2.108 1002 HH22 ARG 126 2HH2 ARG 126 -2.155 26.381 1.522 1003 H LEU 127 H LEU 127 -0.369 18.129 -2.351 1004 HA LEU 127 HA LEU 127 0.273 18.141 -5.158 1005 HB2 LEU 127 2HB LEU 127 -0.093 15.784 -3.322 1006 HB3 LEU 127 1HB LEU 127 0.186 15.676 -5.032 1007 HG LEU 127 HG LEU 127 2.336 16.937 -4.614 1008 HD11 LEU 127 1HD1 LEU 127 1.916 17.723 -2.432 1009 HD12 LEU 127 2HD1 LEU 127 3.344 16.674 -2.439 1010 HD13 LEU 127 3HD1 LEU 127 1.804 16.079 -1.799 1011 HD21 LEU 127 3HD2 LEU 127 3.515 14.848 -4.131 1012 HD22 LEU 127 1HD2 LEU 127 2.189 14.682 -5.288 1013 HD23 LEU 127 2HD2 LEU 127 1.972 14.125 -3.621 1014 H GLN 128 H GLN 128 -1.067 17.801 -6.572 1015 HA GLN 128 HA GLN 128 -3.840 17.837 -5.807 1016 HB2 GLN 128 2HB GLN 128 -3.005 19.524 -7.338 1017 HB3 GLN 128 1HB GLN 128 -2.413 18.270 -8.416 1018 HG2 GLN 128 2HG GLN 128 -4.587 17.527 -8.812 1019 HG3 GLN 128 1HG GLN 128 -5.252 18.715 -7.675 1020 HE21 GLN 128 1HE2 GLN 128 -6.504 19.727 -9.292 1021 HE22 GLN 128 2HE2 GLN 128 -5.795 20.705 -10.510 1022 H TRP 129 H TRP 129 -5.012 16.040 -5.896 1023 HA TRP 129 HA TRP 129 -3.885 13.554 -6.385 1024 HB2 TRP 129 2HB TRP 129 -5.840 13.842 -4.942 1025 HB3 TRP 129 1HB TRP 129 -6.817 14.314 -6.328 1026 HD1 TRP 129 HD TRP 129 -7.924 12.423 -7.706 1027 HE1 TRP 129 1HE TRP 129 -7.951 9.894 -7.587 1028 HE3 TRP 129 3HE TRP 129 -4.228 11.796 -4.231 1029 HZ2 TRP 129 2HZ TRP 129 -6.537 7.818 -6.158 1030 HZ3 TRP 129 3HZ TRP 129 -3.631 9.509 -3.544 1031 HH2 TRP 129 HH TRP 129 -4.764 7.569 -4.490 1032 H GLU 130 H GLU 130 -5.509 15.708 -8.521 1033 HA GLU 130 HA GLU 130 -6.111 14.050 -10.678 1034 HB2 GLU 130 2HB GLU 130 -5.097 16.892 -10.818 1035 HB3 GLU 130 1HB GLU 130 -6.017 16.055 -12.058 1036 HG2 GLU 130 2HG GLU 130 -7.024 16.677 -9.293 1037 HG3 GLU 130 1HG GLU 130 -7.376 17.619 -10.735 1038 H ASN 131 H ASN 131 -3.054 15.501 -9.744 1039 HA ASN 131 HA ASN 131 -1.630 14.565 -12.071 1040 HB2 ASN 131 2HB ASN 131 -0.707 15.889 -9.504 1041 HB3 ASN 131 1HB ASN 131 0.433 15.256 -10.656 1042 HD21 ASN 131 1HD2 ASN 131 -2.032 17.701 -10.150 1043 HD22 ASN 131 2HD2 ASN 131 -1.581 18.675 -11.495 1044 H VAL 132 H VAL 132 -2.138 13.583 -8.785 1045 HA VAL 132 HA VAL 132 -0.188 11.559 -8.684 1046 HB VAL 132 HB VAL 132 -2.770 11.754 -7.107 1047 HG11 VAL 132 1HG1 VAL 132 -1.838 9.507 -7.010 1048 HG12 VAL 132 2HG1 VAL 132 -1.650 10.320 -5.458 1049 HG13 VAL 132 3HG1 VAL 132 -0.268 10.161 -6.539 1050 HG21 VAL 132 3HG2 VAL 132 -1.377 12.759 -5.347 1051 HG22 VAL 132 1HG2 VAL 132 -1.374 13.735 -6.818 1052 HG23 VAL 132 2HG2 VAL 132 0.012 12.715 -6.431 1053 H SER 133 H SER 133 -3.705 11.397 -9.393 1054 HA SER 133 HA SER 133 -3.811 8.636 -9.715 1055 HB2 SER 133 2HB SER 133 -5.961 9.093 -10.876 1056 HB3 SER 133 1HB SER 133 -5.811 9.979 -9.365 1057 HG SER 133 HG SER 133 -5.853 10.832 -11.967 1058 H ALA 134 H ALA 134 -3.204 11.210 -12.018 1059 HA ALA 134 HA ALA 134 -3.100 9.604 -14.332 1060 HB1 ALA 134 1HB ALA 134 -3.312 12.049 -14.432 1061 HB2 ALA 134 2HB ALA 134 -1.931 11.489 -15.374 1062 HB3 ALA 134 3HB ALA 134 -1.680 12.215 -13.788 1063 H MET 135 H MET 135 -0.548 10.825 -12.220 1064 HA MET 135 HA MET 135 1.645 9.654 -13.417 1065 HB2 MET 135 2HB MET 135 1.892 11.342 -11.723 1066 HB3 MET 135 1HB MET 135 1.131 10.312 -10.523 1067 HG2 MET 135 2HG MET 135 3.009 8.850 -10.489 1068 HG3 MET 135 1HG MET 135 3.766 9.672 -11.845 1069 HE1 MET 135 3HE MET 135 3.238 11.597 -7.686 1070 HE2 MET 135 1HE MET 135 2.692 9.960 -8.066 1071 HE3 MET 135 2HE MET 135 1.888 11.360 -8.792 1072 H ILE 136 H ILE 136 -0.509 8.268 -10.971 1073 HA ILE 136 HA ILE 136 0.866 5.864 -10.578 1074 HB ILE 136 HB ILE 136 -2.120 6.404 -10.461 1075 HG12 ILE 136 2HG1 ILE 136 -0.035 6.209 -8.279 1076 HG13 ILE 136 1HG1 ILE 136 -0.760 7.696 -8.876 1077 HG21 ILE 136 1HG2 ILE 136 -2.330 4.338 -9.145 1078 HG22 ILE 136 2HG2 ILE 136 -0.632 3.977 -9.436 1079 HG23 ILE 136 3HG2 ILE 136 -1.770 4.013 -10.782 1080 HD11 ILE 136 3HD1 ILE 136 -2.188 5.469 -7.434 1081 HD12 ILE 136 1HD1 ILE 136 -2.943 6.940 -8.056 1082 HD13 ILE 136 2HD1 ILE 136 -1.743 7.046 -6.775 1083 H GLU 137 H GLU 137 -1.617 6.690 -12.965 1084 HA GLU 137 HA GLU 137 -1.619 4.148 -14.199 1085 HB2 GLU 137 2HB GLU 137 -2.498 6.823 -15.266 1086 HB3 GLU 137 1HB GLU 137 -2.849 5.268 -16.014 1087 HG2 GLU 137 2HG GLU 137 -4.066 4.604 -13.972 1088 HG3 GLU 137 1HG GLU 137 -3.751 6.196 -13.305 1089 H GLU 138 H GLU 138 0.185 7.104 -14.775 1090 HA GLU 138 HA GLU 138 1.395 6.381 -17.198 1091 HB2 GLU 138 2HB GLU 138 2.447 8.170 -15.025 1092 HB3 GLU 138 1HB GLU 138 3.114 8.049 -16.646 1093 HG2 GLU 138 2HG GLU 138 0.392 9.079 -15.873 1094 HG3 GLU 138 1HG GLU 138 1.778 9.959 -16.486 1095 H VAL 139 H VAL 139 2.335 5.823 -13.861 1096 HA VAL 139 HA VAL 139 4.812 4.538 -14.484 1097 HB VAL 139 HB VAL 139 3.149 4.510 -11.940 1098 HG11 VAL 139 1HG1 VAL 139 4.536 2.541 -12.079 1099 HG12 VAL 139 2HG1 VAL 139 5.153 3.625 -10.832 1100 HG13 VAL 139 3HG1 VAL 139 5.960 3.517 -12.397 1101 HG21 VAL 139 3HG2 VAL 139 4.841 6.057 -11.092 1102 HG22 VAL 139 1HG2 VAL 139 4.052 6.709 -12.528 1103 HG23 VAL 139 2HG2 VAL 139 5.673 6.013 -12.642 1104 H PHE 140 H PHE 140 1.614 3.408 -13.559 1105 HA PHE 140 HA PHE 140 2.231 0.694 -13.679 1106 HB2 PHE 140 2HB PHE 140 -0.284 2.164 -13.268 1107 HB3 PHE 140 1HB PHE 140 -0.409 0.501 -13.829 1108 HD1 PHE 140 2HD PHE 140 0.353 -1.346 -12.457 1109 HD2 PHE 140 1HD PHE 140 0.569 2.661 -11.018 1110 HE1 PHE 140 2HE PHE 140 0.641 -2.182 -10.210 1111 HE2 PHE 140 1HE PHE 140 0.872 1.781 -8.729 1112 HZ PHE 140 HZ PHE 140 0.889 -0.726 -8.383 1113 H GLU 141 H GLU 141 1.813 2.685 -16.325 1114 HA GLU 141 HA GLU 141 0.401 1.155 -18.089 1115 HB2 GLU 141 2HB GLU 141 1.757 2.069 -19.885 1116 HB3 GLU 141 1HB GLU 141 1.355 3.310 -18.710 1117 HG2 GLU 141 2HG GLU 141 3.569 3.171 -17.771 1118 HG3 GLU 141 1HG GLU 141 3.923 1.821 -18.863 1119 H ALA 142 H ALA 142 0.681 -0.536 -19.274 1120 HA ALA 142 HA ALA 142 1.351 -2.500 -20.090 1121 HB1 ALA 142 1HB ALA 142 3.686 -3.087 -20.333 1122 HB2 ALA 142 2HB ALA 142 4.147 -1.847 -19.167 1123 HB3 ALA 142 3HB ALA 142 3.453 -1.379 -20.721 1124 H THR 143 H THR 143 0.950 -1.944 -16.981 1125 HA THR 143 HA THR 143 1.763 -4.654 -16.182 1126 HB THR 143 HB THR 143 1.129 -4.057 -13.877 1127 HG1 THR 143 1HG THR 143 0.509 -1.470 -14.821 1128 HG21 THR 143 3HG2 THR 143 2.802 -1.851 -15.112 1129 HG22 THR 143 1HG2 THR 143 3.410 -3.415 -14.577 1130 HG23 THR 143 2HG2 THR 143 2.762 -2.267 -13.409 1131 H ASP 144 H ASP 144 -0.041 -5.629 -14.646 1132 HA ASP 144 HA ASP 144 -2.626 -5.326 -16.018 1133 HB2 ASP 144 2HB ASP 144 -1.346 -7.864 -14.976 1134 HB3 ASP 144 1HB ASP 144 -3.003 -7.757 -15.552 1135 H ILE 145 H ILE 145 -1.447 -4.168 -13.536 1136 HA ILE 145 HA ILE 145 -2.798 -5.571 -11.364 1137 HB ILE 145 HB ILE 145 -0.943 -3.144 -11.113 1138 HG12 ILE 145 2HG1 ILE 145 -0.203 -6.050 -10.878 1139 HG13 ILE 145 1HG1 ILE 145 -0.000 -5.162 -12.380 1140 HG21 ILE 145 1HG2 ILE 145 -1.743 -5.264 -9.174 1141 HG22 ILE 145 2HG2 ILE 145 -2.324 -3.601 -9.189 1142 HG23 ILE 145 3HG2 ILE 145 -0.614 -3.936 -8.901 1143 HD11 ILE 145 3HD1 ILE 145 1.233 -4.461 -9.744 1144 HD12 ILE 145 1HD1 ILE 145 1.496 -3.631 -11.278 1145 HD13 ILE 145 2HD1 ILE 145 2.034 -5.305 -11.074 1146 H LYS 146 H LYS 146 -4.523 -4.731 -10.231 1147 HA LYS 146 HA LYS 146 -5.810 -2.318 -11.266 1148 HB2 LYS 146 2HB LYS 146 -6.763 -4.198 -9.119 1149 HB3 LYS 146 1HB LYS 146 -7.707 -2.870 -9.709 1150 HG2 LYS 146 2HG LYS 146 -8.640 -4.765 -10.697 1151 HG3 LYS 146 1HG LYS 146 -7.569 -4.160 -11.972 1152 HD2 LYS 146 2HD LYS 146 -5.878 -5.562 -11.299 1153 HD3 LYS 146 1HD LYS 146 -6.779 -6.129 -9.906 1154 HE2 LYS 146 2HE LYS 146 -8.510 -7.036 -11.521 1155 HE3 LYS 146 1HE LYS 146 -7.371 -6.680 -12.823 1156 HZ1 LYS 146 3HZ LYS 146 -5.749 -8.164 -11.725 1157 HZ2 LYS 146 1HZ LYS 146 -7.195 -8.984 -12.101 1158 HZ3 LYS 146 2HZ LYS 146 -6.879 -8.468 -10.522 1159 H ILE 147 H ILE 147 -6.550 -0.793 -9.820 1160 HA ILE 147 HA ILE 147 -4.810 -0.456 -7.437 1161 HB ILE 147 HB ILE 147 -5.826 1.818 -9.150 1162 HG12 ILE 147 2HG1 ILE 147 -4.312 0.532 -10.572 1163 HG13 ILE 147 1HG1 ILE 147 -3.564 2.052 -10.113 1164 HG21 ILE 147 1HG2 ILE 147 -5.299 2.424 -6.886 1165 HG22 ILE 147 2HG2 ILE 147 -4.089 3.134 -7.964 1166 HG23 ILE 147 3HG2 ILE 147 -3.715 1.689 -7.022 1167 HD11 ILE 147 3HD1 ILE 147 -2.997 -0.643 -8.929 1168 HD12 ILE 147 1HD1 ILE 147 -2.193 0.873 -8.482 1169 HD13 ILE 147 2HD1 ILE 147 -2.030 0.209 -10.124 1170 H THR 148 H THR 148 -6.125 -0.470 -5.670 1171 HA THR 148 HA THR 148 -8.807 0.669 -5.970 1172 HB THR 148 HB THR 148 -7.900 -1.442 -3.987 1173 HG1 THR 148 1HG THR 148 -7.952 -2.268 -6.091 1174 HG21 THR 148 3HG2 THR 148 -10.630 -0.390 -4.730 1175 HG22 THR 148 1HG2 THR 148 -9.785 -0.063 -3.220 1176 HG23 THR 148 2HG2 THR 148 -10.321 -1.703 -3.590 1177 H VAL 149 H VAL 149 -8.922 2.594 -5.032 1178 HA VAL 149 HA VAL 149 -7.117 3.174 -2.806 1179 HB VAL 149 HB VAL 149 -8.524 5.081 -4.706 1180 HG11 VAL 149 1HG1 VAL 149 -8.346 6.057 -2.463 1181 HG12 VAL 149 2HG1 VAL 149 -7.259 6.862 -3.593 1182 HG13 VAL 149 3HG1 VAL 149 -6.619 5.694 -2.437 1183 HG21 VAL 149 3HG2 VAL 149 -6.627 3.884 -5.671 1184 HG22 VAL 149 1HG2 VAL 149 -5.602 4.435 -4.351 1185 HG23 VAL 149 2HG2 VAL 149 -6.282 5.607 -5.484 1186 H TYR 150 H TYR 150 -7.939 3.252 -0.921 1187 HA TYR 150 HA TYR 150 -10.802 3.602 -0.541 1188 HB2 TYR 150 2HB TYR 150 -8.596 2.794 1.361 1189 HB3 TYR 150 1HB TYR 150 -10.223 3.158 1.914 1190 HD1 TYR 150 1HD TYR 150 -8.262 0.853 -0.260 1191 HD2 TYR 150 2HD TYR 150 -11.929 1.566 1.768 1192 HE1 TYR 150 1HE TYR 150 -8.970 -1.468 -0.713 1193 HE2 TYR 150 2HE TYR 150 -12.636 -0.736 1.319 1194 HH TYR 150 HH TYR 150 -12.176 -2.500 -0.231 1195 H THR 151 H THR 151 -11.682 5.408 0.178 1196 HA THR 151 HA THR 151 -9.867 7.634 0.325 1197 HB THR 151 HB THR 151 -12.011 8.986 0.121 1198 HG1 THR 151 1HG THR 151 -13.474 7.049 -0.999 1199 HG21 THR 151 3HG2 THR 151 -10.537 8.525 -1.797 1200 HG22 THR 151 1HG2 THR 151 -12.232 8.502 -2.283 1201 HG23 THR 151 2HG2 THR 151 -11.358 6.988 -2.057 1202 H LEU 152 H LEU 152 -9.243 8.500 2.103 1203 HA LEU 152 HA LEU 152 -10.988 9.078 4.258 1204 HB2 LEU 152 2HB LEU 152 -10.135 6.676 4.685 1205 HB3 LEU 152 1HB LEU 152 -8.532 7.352 4.779 1206 HG LEU 152 HG LEU 152 -9.475 6.832 7.002 1207 HD11 LEU 152 1HD1 LEU 152 -7.836 8.605 6.919 1208 HD12 LEU 152 2HD1 LEU 152 -9.055 8.931 8.154 1209 HD13 LEU 152 3HD1 LEU 152 -9.111 9.786 6.615 1210 HD21 LEU 152 3HD2 LEU 152 -11.320 8.137 7.918 1211 HD22 LEU 152 1HD2 LEU 152 -11.823 7.181 6.528 1212 HD23 LEU 152 2HD2 LEU 152 -11.552 8.917 6.354 Start of MODEL 2 1 H GLU 1 H GLU 1 -13.303 -29.660 -6.921 2 HA GLU 1 HA GLU 1 -13.864 -28.694 -9.613 3 HB2 GLU 1 2HB GLU 1 -15.754 -28.721 -7.240 4 HB3 GLU 1 1HB GLU 1 -16.109 -28.033 -8.818 5 HG2 GLU 1 2HG GLU 1 -15.856 -30.279 -9.817 6 HG3 GLU 1 1HG GLU 1 -15.609 -30.938 -8.203 7 H ALA 2 H ALA 2 -12.459 -27.099 -9.690 8 HA ALA 2 HA ALA 2 -12.655 -25.073 -7.601 9 HB1 ALA 2 1HB ALA 2 -10.151 -25.885 -9.069 10 HB2 ALA 2 2HB ALA 2 -10.540 -26.276 -7.394 11 HB3 ALA 2 3HB ALA 2 -10.285 -24.597 -7.869 12 H SER 3 H SER 3 -14.088 -23.900 -8.720 13 HA SER 3 HA SER 3 -12.933 -22.135 -10.678 14 HB2 SER 3 2HB SER 3 -15.478 -23.712 -11.218 15 HB3 SER 3 1HB SER 3 -14.856 -22.406 -12.231 16 HG SER 3 HG SER 3 -12.952 -24.200 -11.726 17 H SER 4 H SER 4 -13.697 -22.089 -7.926 18 HA SER 4 HA SER 4 -16.230 -20.701 -7.769 19 HB2 SER 4 2HB SER 4 -15.759 -22.459 -6.121 20 HB3 SER 4 1HB SER 4 -14.318 -21.596 -5.599 21 HG SER 4 HG SER 4 -15.533 -20.428 -4.360 22 H LEU 5 H LEU 5 -15.775 -18.803 -8.755 23 HA LEU 5 HA LEU 5 -14.288 -16.890 -7.128 24 HB2 LEU 5 2HB LEU 5 -14.176 -17.071 -10.154 25 HB3 LEU 5 1HB LEU 5 -13.480 -15.782 -9.196 26 HG LEU 5 HG LEU 5 -12.556 -18.670 -9.196 27 HD11 LEU 5 1HD1 LEU 5 -12.039 -17.512 -11.287 28 HD12 LEU 5 2HD1 LEU 5 -10.581 -17.829 -10.347 29 HD13 LEU 5 3HD1 LEU 5 -11.277 -16.209 -10.381 30 HD21 LEU 5 3HD2 LEU 5 -10.650 -17.827 -7.901 31 HD22 LEU 5 1HD2 LEU 5 -12.169 -17.594 -7.039 32 HD23 LEU 5 2HD2 LEU 5 -11.393 -16.231 -7.847 33 H ASN 6 H ASN 6 -16.017 -15.737 -6.406 34 HA ASN 6 HA ASN 6 -18.218 -15.307 -8.285 35 HB2 ASN 6 2HB ASN 6 -19.597 -14.647 -6.362 36 HB3 ASN 6 1HB ASN 6 -18.890 -16.236 -6.123 37 HD21 ASN 6 1HD2 ASN 6 -18.953 -12.925 -5.053 38 HD22 ASN 6 2HD2 ASN 6 -18.036 -13.195 -3.620 39 H GLU 7 H GLU 7 -15.526 -13.751 -7.220 40 HA GLU 7 HA GLU 7 -16.730 -11.203 -7.955 41 HB2 GLU 7 2HB GLU 7 -14.471 -11.659 -6.013 42 HB3 GLU 7 1HB GLU 7 -14.969 -10.081 -6.610 43 HG2 GLU 7 2HG GLU 7 -17.176 -10.456 -5.734 44 HG3 GLU 7 1HG GLU 7 -16.666 -11.997 -5.054 45 H ASP 8 H ASP 8 -15.578 -9.850 -9.155 46 HA ASP 8 HA ASP 8 -13.180 -10.831 -10.498 47 HB2 ASP 8 2HB ASP 8 -15.116 -11.638 -11.846 48 HB3 ASP 8 1HB ASP 8 -15.734 -10.001 -11.938 49 HA PRO 9 HA PRO 9 -11.875 -6.704 -9.724 50 HB2 PRO 9 2HB PRO 9 -10.506 -6.235 -12.134 51 HB3 PRO 9 1HB PRO 9 -9.825 -6.920 -10.656 52 HG2 PRO 9 2HG PRO 9 -10.852 -8.301 -13.089 53 HG3 PRO 9 1HG PRO 9 -9.486 -8.735 -12.050 54 HD2 PRO 9 2HD PRO 9 -11.797 -10.052 -11.924 55 HD3 PRO 9 1HD PRO 9 -10.871 -9.709 -10.443 56 H GLU 10 H GLU 10 -12.096 -4.499 -10.409 57 HA GLU 10 HA GLU 10 -13.898 -3.970 -12.590 58 HB2 GLU 10 2HB GLU 10 -15.379 -4.396 -10.676 59 HB3 GLU 10 1HB GLU 10 -14.483 -3.241 -9.713 60 HG2 GLU 10 2HG GLU 10 -15.161 -1.456 -11.266 61 HG3 GLU 10 1HG GLU 10 -16.118 -2.632 -12.159 62 H GLY 11 H GLY 11 -12.369 -2.828 -13.521 63 HA2 GLY 11 2HA GLY 11 -12.124 -0.242 -13.507 64 HA3 GLY 11 1HA GLY 11 -11.152 -0.581 -12.078 65 H SER 12 H SER 12 -10.310 0.660 -14.544 66 HA SER 12 HA SER 12 -8.675 -1.362 -15.818 67 HB2 SER 12 2HB SER 12 -9.716 0.458 -17.181 68 HB3 SER 12 1HB SER 12 -8.761 1.635 -16.283 69 HG SER 12 HG SER 12 -7.738 -0.500 -17.816 70 H ARG 13 H ARG 13 -8.177 1.620 -14.088 71 HA ARG 13 HA ARG 13 -5.719 0.475 -13.019 72 HB2 ARG 13 2HB ARG 13 -6.113 3.333 -13.891 73 HB3 ARG 13 1HB ARG 13 -4.752 2.756 -12.932 74 HG2 ARG 13 2HG ARG 13 -5.487 1.699 -15.627 75 HG3 ARG 13 1HG ARG 13 -4.306 2.979 -15.348 76 HD2 ARG 13 2HD ARG 13 -2.911 1.549 -14.115 77 HD3 ARG 13 1HD ARG 13 -4.072 0.253 -14.009 78 HE ARG 13 HE ARG 13 -3.270 1.084 -16.655 79 HH11 ARG 13 1HH1 ARG 13 -2.794 -1.231 -13.994 80 HH12 ARG 13 2HH1 ARG 13 -2.004 -2.356 -14.991 81 HH21 ARG 13 1HH2 ARG 13 -2.233 -0.456 -17.947 82 HH22 ARG 13 2HH2 ARG 13 -1.648 -1.922 -17.288 83 H ILE 14 H ILE 14 -7.288 3.542 -12.283 84 HA ILE 14 HA ILE 14 -7.218 2.650 -9.509 85 HB ILE 14 HB ILE 14 -7.460 5.436 -10.604 86 HG12 ILE 14 2HG1 ILE 14 -5.094 4.020 -9.361 87 HG13 ILE 14 1HG1 ILE 14 -5.251 4.465 -11.055 88 HG21 ILE 14 1HG2 ILE 14 -8.511 5.218 -8.417 89 HG22 ILE 14 2HG2 ILE 14 -7.011 6.135 -8.269 90 HG23 ILE 14 3HG2 ILE 14 -7.058 4.443 -7.784 91 HD11 ILE 14 3HD1 ILE 14 -5.091 6.362 -8.727 92 HD12 ILE 14 1HD1 ILE 14 -5.227 6.823 -10.420 93 HD13 ILE 14 2HD1 ILE 14 -3.792 5.969 -9.845 94 H THR 15 H THR 15 -8.901 2.158 -8.584 95 HA THR 15 HA THR 15 -11.489 3.225 -9.476 96 HB THR 15 HB THR 15 -10.950 0.562 -8.143 97 HG1 THR 15 1HG THR 15 -10.112 0.935 -10.326 98 HG21 THR 15 3HG2 THR 15 -13.223 1.445 -7.798 99 HG22 THR 15 1HG2 THR 15 -13.261 0.064 -8.898 100 HG23 THR 15 2HG2 THR 15 -13.393 1.699 -9.535 101 H TYR 16 H TYR 16 -12.730 4.149 -7.851 102 HA TYR 16 HA TYR 16 -11.331 4.426 -5.314 103 HB2 TYR 16 2HB TYR 16 -13.464 6.173 -6.520 104 HB3 TYR 16 1HB TYR 16 -12.574 6.487 -5.036 105 HD1 TYR 16 2HD TYR 16 -10.082 6.874 -5.179 106 HD2 TYR 16 1HD TYR 16 -12.588 6.790 -8.618 107 HE1 TYR 16 2HE TYR 16 -8.360 8.015 -6.463 108 HE2 TYR 16 1HE TYR 16 -10.850 7.928 -9.914 109 HH TYR 16 HH TYR 16 -8.927 9.357 -9.521 110 H VAL 17 H VAL 17 -12.143 3.646 -3.579 111 HA VAL 17 HA VAL 17 -15.012 3.047 -3.409 112 HB VAL 17 HB VAL 17 -12.756 1.411 -2.213 113 HG11 VAL 17 1HG1 VAL 17 -14.487 -0.202 -1.591 114 HG12 VAL 17 2HG1 VAL 17 -15.720 0.872 -2.255 115 HG13 VAL 17 3HG1 VAL 17 -14.770 1.378 -0.858 116 HG21 VAL 17 3HG2 VAL 17 -13.401 -0.381 -3.769 117 HG22 VAL 17 1HG2 VAL 17 -12.823 1.061 -4.612 118 HG23 VAL 17 2HG2 VAL 17 -14.555 0.724 -4.527 119 H LYS 18 H LYS 18 -15.862 3.987 -1.628 120 HA LYS 18 HA LYS 18 -13.940 5.116 0.213 121 HB2 LYS 18 2HB LYS 18 -15.786 6.643 0.912 122 HB3 LYS 18 1HB LYS 18 -15.212 6.872 -0.730 123 HG2 LYS 18 2HG LYS 18 -17.204 5.637 -1.519 124 HG3 LYS 18 1HG LYS 18 -17.765 5.540 0.156 125 HD2 LYS 18 2HD LYS 18 -17.779 7.968 0.309 126 HD3 LYS 18 1HD LYS 18 -17.167 8.085 -1.338 127 HE2 LYS 18 2HE LYS 18 -19.207 6.994 -2.150 128 HE3 LYS 18 1HE LYS 18 -19.815 6.920 -0.496 129 HZ1 LYS 18 3HZ LYS 18 -20.723 8.783 -1.690 130 HZ2 LYS 18 1HZ LYS 18 -19.190 9.373 -2.031 131 HZ3 LYS 18 2HZ LYS 18 -19.741 9.348 -0.427 132 H GLY 19 H GLY 19 -13.609 4.111 1.950 133 HA2 GLY 19 2HA GLY 19 -15.515 3.375 3.806 134 HA3 GLY 19 1HA GLY 19 -15.103 1.942 2.857 135 H ASP 20 H ASP 20 -13.948 0.807 4.452 136 HA ASP 20 HA ASP 20 -11.859 2.165 5.821 137 HB2 ASP 20 2HB ASP 20 -11.665 0.129 7.040 138 HB3 ASP 20 1HB ASP 20 -13.371 0.539 6.981 139 H LEU 21 H LEU 21 -9.792 0.865 5.950 140 HA LEU 21 HA LEU 21 -9.200 -0.589 3.469 141 HB2 LEU 21 2HB LEU 21 -8.388 1.689 3.395 142 HB3 LEU 21 1HB LEU 21 -7.450 1.411 4.844 143 HG LEU 21 HG LEU 21 -5.907 -0.020 3.708 144 HD11 LEU 21 1HD1 LEU 21 -6.238 -0.703 1.369 145 HD12 LEU 21 2HD1 LEU 21 -7.815 0.094 1.352 146 HD13 LEU 21 3HD1 LEU 21 -7.543 -1.311 2.383 147 HD21 LEU 21 3HD2 LEU 21 -6.773 2.147 1.909 148 HD22 LEU 21 1HD2 LEU 21 -5.165 1.384 1.880 149 HD23 LEU 21 2HD2 LEU 21 -5.688 2.360 3.283 150 H PHE 22 H PHE 22 -9.859 -1.175 6.295 151 HA PHE 22 HA PHE 22 -7.443 -2.671 7.038 152 HB2 PHE 22 2HB PHE 22 -9.619 -1.603 8.838 153 HB3 PHE 22 1HB PHE 22 -8.364 -2.709 9.393 154 HD1 PHE 22 2HD PHE 22 -8.877 0.582 7.801 155 HD2 PHE 22 1HD PHE 22 -6.246 -1.859 10.088 156 HE1 PHE 22 2HE PHE 22 -7.351 2.493 8.106 157 HE2 PHE 22 1HE PHE 22 -4.749 0.008 10.366 158 HZ PHE 22 HZ PHE 22 -5.281 2.198 9.389 159 H ALA 23 H ALA 23 -10.845 -2.976 6.371 160 HA ALA 23 HA ALA 23 -10.796 -5.815 7.043 161 HB1 ALA 23 1HB ALA 23 -12.684 -4.492 7.834 162 HB2 ALA 23 2HB ALA 23 -13.229 -5.662 6.631 163 HB3 ALA 23 3HB ALA 23 -13.018 -3.952 6.201 164 H CYS 24 H CYS 24 -9.561 -4.238 4.729 165 HA CYS 24 HA CYS 24 -10.768 -4.996 2.316 166 HB2 CYS 24 2HB CYS 24 -8.481 -4.483 1.366 167 HB3 CYS 24 1HB CYS 24 -9.212 -3.194 2.317 168 HG CYS 24 HG CYS 24 -7.188 -2.887 3.878 169 HA PRO 25 HA PRO 25 -9.948 -9.306 1.995 170 HB2 PRO 25 2HB PRO 25 -9.714 -9.577 -0.708 171 HB3 PRO 25 1HB PRO 25 -11.255 -9.352 0.124 172 HG2 PRO 25 2HG PRO 25 -9.545 -7.327 -1.267 173 HG3 PRO 25 1HG PRO 25 -11.303 -7.546 -1.336 174 HD2 PRO 25 2HD PRO 25 -10.191 -5.646 0.186 175 HD3 PRO 25 1HD PRO 25 -11.639 -6.523 0.716 176 H LYS 26 H LYS 26 -8.410 -10.851 1.629 177 HA LYS 26 HA LYS 26 -5.764 -10.011 1.829 178 HB2 LYS 26 2HB LYS 26 -6.975 -12.717 1.622 179 HB3 LYS 26 1HB LYS 26 -5.241 -12.444 1.792 180 HG2 LYS 26 2HG LYS 26 -5.557 -11.269 3.849 181 HG3 LYS 26 1HG LYS 26 -7.308 -11.350 3.668 182 HD2 LYS 26 2HD LYS 26 -6.542 -12.952 5.225 183 HD3 LYS 26 1HD LYS 26 -7.211 -13.704 3.749 184 HE2 LYS 26 2HE LYS 26 -4.934 -14.133 2.937 185 HE3 LYS 26 1HE LYS 26 -4.256 -13.371 4.368 186 HZ1 LYS 26 3HZ LYS 26 -4.183 -15.742 4.552 187 HZ2 LYS 26 1HZ LYS 26 -5.843 -15.869 4.264 188 HZ3 LYS 26 2HZ LYS 26 -5.272 -15.182 5.703 189 H THR 27 H THR 27 -7.666 -10.613 -0.918 190 HA THR 27 HA THR 27 -5.683 -11.714 -2.666 191 HB THR 27 HB THR 27 -7.447 -11.080 -4.343 192 HG1 THR 27 1HG THR 27 -8.543 -9.417 -3.238 193 HG21 THR 27 3HG2 THR 27 -8.962 -12.875 -3.611 194 HG22 THR 27 1HG2 THR 27 -8.283 -12.790 -1.985 195 HG23 THR 27 2HG2 THR 27 -7.279 -13.322 -3.333 196 H ASP 28 H ASP 28 -6.495 -8.667 -1.524 197 HA ASP 28 HA ASP 28 -5.202 -7.255 -3.767 198 HB2 ASP 28 2HB ASP 28 -7.202 -6.283 -1.705 199 HB3 ASP 28 1HB ASP 28 -6.421 -5.266 -2.905 200 H SER 29 H SER 29 -3.207 -6.757 -3.310 201 HA SER 29 HA SER 29 -2.209 -6.765 -0.650 202 HB2 SER 29 2HB SER 29 -0.964 -5.845 -3.251 203 HB3 SER 29 1HB SER 29 -0.083 -5.960 -1.720 204 HG SER 29 HG SER 29 -1.449 -8.097 -2.998 205 H LEU 30 H LEU 30 -0.806 -4.642 -0.021 206 HA LEU 30 HA LEU 30 -2.735 -2.454 -0.315 207 HB2 LEU 30 2HB LEU 30 -2.985 -4.159 1.752 208 HB3 LEU 30 1HB LEU 30 -1.721 -3.150 2.388 209 HG LEU 30 HG LEU 30 -4.455 -2.197 1.562 210 HD11 LEU 30 1HD1 LEU 30 -4.545 -3.638 3.463 211 HD12 LEU 30 2HD1 LEU 30 -4.826 -1.965 3.968 212 HD13 LEU 30 3HD1 LEU 30 -3.254 -2.731 4.241 213 HD21 LEU 30 3HD2 LEU 30 -2.220 -0.760 2.994 214 HD22 LEU 30 1HD2 LEU 30 -3.849 -0.133 2.750 215 HD23 LEU 30 2HD2 LEU 30 -2.803 -0.421 1.365 216 H ALA 31 H ALA 31 -1.741 -0.512 -0.156 217 HA ALA 31 HA ALA 31 1.118 -0.504 0.504 218 HB1 ALA 31 1HB ALA 31 -0.095 0.819 -1.908 219 HB2 ALA 31 2HB ALA 31 0.861 -0.666 -1.914 220 HB3 ALA 31 3HB ALA 31 1.607 0.857 -1.434 221 H HIS 32 H HIS 32 1.983 1.639 0.973 222 HA HIS 32 HA HIS 32 0.107 3.766 1.706 223 HB2 HIS 32 2HB HIS 32 2.046 2.722 3.761 224 HB3 HIS 32 1HB HIS 32 0.679 3.837 3.899 225 HD1 HIS 32 1HD HIS 32 1.565 0.225 3.972 226 HD2 HIS 32 2HD HIS 32 -1.791 2.629 4.209 227 HE1 HIS 32 1HE HIS 32 -0.234 -1.255 4.886 228 HE2 HIS 32 2HE HIS 32 -2.308 0.156 4.754 229 H CYS 33 H CYS 33 1.560 5.648 2.565 230 HA CYS 33 HA CYS 33 4.310 5.335 1.614 231 HB2 CYS 33 2HB CYS 33 4.278 7.821 1.209 232 HB3 CYS 33 1HB CYS 33 3.174 6.926 0.171 233 HG CYS 33 HG CYS 33 2.026 8.307 3.041 234 H ILE 34 H ILE 34 5.976 5.887 3.026 235 HA ILE 34 HA ILE 34 5.277 7.023 5.601 236 HB ILE 34 HB ILE 34 6.323 5.215 6.906 237 HG12 ILE 34 2HG1 ILE 34 6.629 3.718 4.311 238 HG13 ILE 34 1HG1 ILE 34 7.924 4.570 5.134 239 HG21 ILE 34 1HG2 ILE 34 3.965 5.047 6.532 240 HG22 ILE 34 2HG2 ILE 34 4.737 3.476 6.676 241 HG23 ILE 34 3HG2 ILE 34 4.254 4.081 5.081 242 HD11 ILE 34 3HD1 ILE 34 6.366 2.280 6.307 243 HD12 ILE 34 1HD1 ILE 34 7.702 3.135 7.077 244 HD13 ILE 34 2HD1 ILE 34 7.989 2.180 5.621 245 H SER 35 H SER 35 7.402 7.163 6.946 246 HA SER 35 HA SER 35 9.258 8.545 5.250 247 HB2 SER 35 2HB SER 35 10.238 9.271 7.408 248 HB3 SER 35 1HB SER 35 8.533 9.667 7.219 249 HG SER 35 HG SER 35 8.101 8.468 8.912 250 H GLU 36 H GLU 36 11.610 8.315 5.554 251 HA GLU 36 HA GLU 36 12.516 5.724 4.997 252 HB2 GLU 36 2HB GLU 36 14.251 8.043 5.920 253 HB3 GLU 36 1HB GLU 36 14.790 6.617 5.046 254 HG2 GLU 36 2HG GLU 36 13.331 7.321 3.152 255 HG3 GLU 36 1HG GLU 36 13.024 8.821 4.021 256 H ASP 37 H ASP 37 12.455 7.463 8.020 257 HA ASP 37 HA ASP 37 13.879 5.322 9.430 258 HB2 ASP 37 2HB ASP 37 12.672 7.908 10.448 259 HB3 ASP 37 1HB ASP 37 13.465 6.722 11.471 260 H CYS 38 H CYS 38 10.867 5.610 8.284 261 HA CYS 38 HA CYS 38 8.879 4.664 8.671 262 HB2 CYS 38 2HB CYS 38 10.505 2.828 10.441 263 HB3 CYS 38 1HB CYS 38 8.867 2.508 9.868 264 HG CYS 38 HG CYS 38 10.469 3.208 7.212 265 H ARG 39 H ARG 39 9.933 6.706 10.514 266 HA ARG 39 HA ARG 39 8.570 6.289 12.929 267 HB2 ARG 39 2HB ARG 39 9.036 8.679 13.372 268 HB3 ARG 39 1HB ARG 39 10.393 7.590 13.147 269 HG2 ARG 39 2HG ARG 39 10.601 8.428 10.830 270 HG3 ARG 39 1HG ARG 39 9.325 9.603 11.199 271 HD2 ARG 39 2HD ARG 39 11.630 9.125 12.828 272 HD3 ARG 39 1HD ARG 39 11.736 10.385 11.545 273 HE ARG 39 HE ARG 39 9.511 10.688 13.330 274 HH11 ARG 39 1HH1 ARG 39 12.995 11.235 13.270 275 HH12 ARG 39 2HH1 ARG 39 12.932 12.543 14.374 276 HH21 ARG 39 1HH2 ARG 39 9.445 12.399 14.838 277 HH22 ARG 39 2HH2 ARG 39 10.867 13.216 15.297 278 H MET 40 H MET 40 6.407 5.916 12.550 279 HA MET 40 HA MET 40 4.923 8.264 11.594 280 HB2 MET 40 2HB MET 40 4.033 5.374 11.340 281 HB3 MET 40 1HB MET 40 3.006 6.750 11.028 282 HG2 MET 40 2HG MET 40 3.713 5.958 8.918 283 HG3 MET 40 1HG MET 40 4.625 7.423 9.223 284 HE1 MET 40 3HE MET 40 4.718 3.473 9.048 285 HE2 MET 40 1HE MET 40 5.201 3.781 10.716 286 HE3 MET 40 2HE MET 40 6.367 3.142 9.579 287 H GLY 41 H GLY 41 4.004 9.290 13.151 288 HA2 GLY 41 2HA GLY 41 3.221 7.844 15.567 289 HA3 GLY 41 1HA GLY 41 3.360 9.593 15.397 290 H ALA 42 H ALA 42 1.957 9.271 12.735 291 HA ALA 42 HA ALA 42 -0.739 8.569 13.511 292 HB1 ALA 42 1HB ALA 42 -0.006 11.340 12.536 293 HB2 ALA 42 2HB ALA 42 -0.546 10.936 14.165 294 HB3 ALA 42 3HB ALA 42 -1.642 10.738 12.797 295 H GLY 43 H GLY 43 -2.190 8.766 11.526 296 HA2 GLY 43 2HA GLY 43 -2.197 9.011 9.089 297 HA3 GLY 43 1HA GLY 43 -0.617 8.231 9.093 298 H ILE 44 H ILE 44 -1.879 6.781 7.568 299 HA ILE 44 HA ILE 44 -3.656 4.945 8.932 300 HB ILE 44 HB ILE 44 -4.054 5.441 6.549 301 HG12 ILE 44 2HG1 ILE 44 -3.239 2.564 6.903 302 HG13 ILE 44 1HG1 ILE 44 -4.731 3.242 7.563 303 HG21 ILE 44 1HG2 ILE 44 -1.447 4.027 6.063 304 HG22 ILE 44 2HG2 ILE 44 -1.750 5.749 5.823 305 HG23 ILE 44 3HG2 ILE 44 -2.577 4.556 4.821 306 HD11 ILE 44 3HD1 ILE 44 -5.129 2.046 5.530 307 HD12 ILE 44 1HD1 ILE 44 -3.942 3.058 4.684 308 HD13 ILE 44 2HD1 ILE 44 -5.429 3.773 5.326 309 H ALA 45 H ALA 45 -0.309 5.066 8.132 310 HA ALA 45 HA ALA 45 0.287 2.317 8.396 311 HB1 ALA 45 1HB ALA 45 1.763 3.881 7.212 312 HB2 ALA 45 2HB ALA 45 2.616 2.992 8.472 313 HB3 ALA 45 3HB ALA 45 2.143 4.663 8.744 314 H VAL 46 H VAL 46 -0.270 4.761 10.737 315 HA VAL 46 HA VAL 46 1.338 3.827 12.842 316 HB VAL 46 HB VAL 46 0.211 6.045 12.752 317 HG11 VAL 46 1HG1 VAL 46 -2.252 4.561 13.549 318 HG12 VAL 46 2HG1 VAL 46 -1.981 5.489 12.075 319 HG13 VAL 46 3HG1 VAL 46 -2.055 6.316 13.635 320 HG21 VAL 46 3HG2 VAL 46 -0.223 6.248 15.153 321 HG22 VAL 46 1HG2 VAL 46 1.241 5.333 14.803 322 HG23 VAL 46 2HG2 VAL 46 -0.245 4.489 15.272 323 H LEU 47 H LEU 47 -1.835 2.963 11.824 324 HA LEU 47 HA LEU 47 -2.397 1.165 13.983 325 HB2 LEU 47 2HB LEU 47 -3.693 1.686 11.333 326 HB3 LEU 47 1HB LEU 47 -4.221 0.362 12.360 327 HG LEU 47 HG LEU 47 -4.151 3.196 13.407 328 HD11 LEU 47 1HD1 LEU 47 -5.607 3.144 11.403 329 HD12 LEU 47 2HD1 LEU 47 -6.541 3.311 12.891 330 HD13 LEU 47 3HD1 LEU 47 -6.452 1.751 12.078 331 HD21 LEU 47 3HD2 LEU 47 -5.664 0.724 14.081 332 HD22 LEU 47 1HD2 LEU 47 -5.791 2.255 14.952 333 HD23 LEU 47 2HD2 LEU 47 -4.272 1.339 14.987 334 H PHE 48 H PHE 48 -1.066 0.818 10.790 335 HA PHE 48 HA PHE 48 -1.069 -1.993 10.747 336 HB2 PHE 48 2HB PHE 48 0.442 0.042 9.139 337 HB3 PHE 48 1HB PHE 48 0.721 -1.686 8.931 338 HD1 PHE 48 2HD PHE 48 -1.945 0.900 8.834 339 HD2 PHE 48 1HD PHE 48 -0.671 -2.954 7.604 340 HE1 PHE 48 2HE PHE 48 -3.888 0.736 7.338 341 HE2 PHE 48 1HE PHE 48 -2.599 -3.132 6.105 342 HZ PHE 48 HZ PHE 48 -4.224 -1.278 5.975 343 H LYS 49 H LYS 49 1.081 0.272 12.171 344 HA LYS 49 HA LYS 49 3.380 -1.234 12.493 345 HB2 LYS 49 2HB LYS 49 2.185 0.602 14.548 346 HB3 LYS 49 1HB LYS 49 3.851 0.037 14.500 347 HG2 LYS 49 2HG LYS 49 3.954 1.084 12.190 348 HG3 LYS 49 1HG LYS 49 2.440 1.874 12.636 349 HD2 LYS 49 2HD LYS 49 4.999 1.973 14.121 350 HD3 LYS 49 1HD LYS 49 4.425 3.282 13.073 351 HE2 LYS 49 2HE LYS 49 2.435 3.501 14.607 352 HE3 LYS 49 1HE LYS 49 3.166 2.286 15.654 353 HZ1 LYS 49 3HZ LYS 49 3.671 4.496 16.498 354 HZ2 LYS 49 1HZ LYS 49 4.288 4.961 15.002 355 HZ3 LYS 49 2HZ LYS 49 5.079 3.801 15.926 356 H LYS 50 H LYS 50 0.511 -1.172 14.620 357 HA LYS 50 HA LYS 50 1.590 -3.216 16.247 358 HB2 LYS 50 2HB LYS 50 -1.205 -2.130 16.175 359 HB3 LYS 50 1HB LYS 50 -0.668 -3.377 17.275 360 HG2 LYS 50 2HG LYS 50 -0.506 -1.494 18.565 361 HG3 LYS 50 1HG LYS 50 1.135 -1.691 17.992 362 HD2 LYS 50 2HD LYS 50 0.533 0.645 17.850 363 HD3 LYS 50 1HD LYS 50 0.665 -0.005 16.214 364 HE2 LYS 50 2HE LYS 50 -1.689 -0.197 16.012 365 HE3 LYS 50 1HE LYS 50 -1.944 0.213 17.713 366 HZ1 LYS 50 3HZ LYS 50 -1.099 2.423 17.239 367 HZ2 LYS 50 1HZ LYS 50 -2.419 2.096 16.278 368 HZ3 LYS 50 2HZ LYS 50 -0.862 2.034 15.610 369 H LYS 51 H LYS 51 -0.794 -3.160 13.653 370 HA LYS 51 HA LYS 51 -1.738 -5.750 14.025 371 HB2 LYS 51 2HB LYS 51 -1.827 -3.958 11.651 372 HB3 LYS 51 1HB LYS 51 -2.618 -5.529 11.712 373 HG2 LYS 51 2HG LYS 51 -3.890 -4.807 13.663 374 HG3 LYS 51 1HG LYS 51 -3.115 -3.223 13.571 375 HD2 LYS 51 2HD LYS 51 -4.011 -2.880 11.405 376 HD3 LYS 51 1HD LYS 51 -4.751 -4.482 11.399 377 HE2 LYS 51 2HE LYS 51 -5.420 -2.222 13.297 378 HE3 LYS 51 1HE LYS 51 -6.419 -2.755 11.946 379 HZ1 LYS 51 3HZ LYS 51 -6.636 -4.924 13.047 380 HZ2 LYS 51 1HZ LYS 51 -7.230 -3.675 14.012 381 HZ3 LYS 51 2HZ LYS 51 -5.736 -4.376 14.350 382 H PHE 52 H PHE 52 0.869 -4.616 11.911 383 HA PHE 52 HA PHE 52 1.288 -7.433 11.228 384 HB2 PHE 52 2HB PHE 52 2.159 -4.954 9.754 385 HB3 PHE 52 1HB PHE 52 2.706 -6.574 9.328 386 HD1 PHE 52 1HD PHE 52 -0.192 -4.316 9.446 387 HD2 PHE 52 2HD PHE 52 1.245 -8.136 8.264 388 HE1 PHE 52 1HE PHE 52 -2.224 -4.663 8.109 389 HE2 PHE 52 2HE PHE 52 -0.789 -8.491 6.928 390 HZ PHE 52 HZ PHE 52 -2.528 -6.754 6.851 391 H GLY 53 H GLY 53 2.700 -4.798 12.885 392 HA2 GLY 53 2HA GLY 53 4.620 -4.583 14.105 393 HA3 GLY 53 1HA GLY 53 4.467 -6.314 14.356 394 H GLY 54 H GLY 54 5.222 -4.409 11.459 395 HA2 GLY 54 2HA GLY 54 7.730 -5.948 11.332 396 HA3 GLY 54 1HA GLY 54 6.730 -5.674 9.916 397 H VAL 55 H VAL 55 7.332 -3.247 12.378 398 HA VAL 55 HA VAL 55 8.190 -1.400 10.396 399 HB VAL 55 HB VAL 55 8.408 -1.168 13.418 400 HG11 VAL 55 1HG1 VAL 55 8.413 1.247 13.014 401 HG12 VAL 55 2HG1 VAL 55 8.368 0.948 11.278 402 HG13 VAL 55 3HG1 VAL 55 9.779 0.454 12.217 403 HG21 VAL 55 3HG2 VAL 55 6.283 0.055 13.316 404 HG22 VAL 55 1HG2 VAL 55 6.102 -1.604 12.748 405 HG23 VAL 55 2HG2 VAL 55 6.177 -0.273 11.590 406 H GLN 56 H GLN 56 9.760 -3.399 12.830 407 HA GLN 56 HA GLN 56 12.444 -2.536 12.483 408 HB2 GLN 56 2HB GLN 56 11.456 -3.751 14.387 409 HB3 GLN 56 1HB GLN 56 11.270 -5.145 13.335 410 HG2 GLN 56 2HG GLN 56 13.524 -5.398 13.075 411 HG3 GLN 56 1HG GLN 56 13.855 -3.788 13.746 412 HE21 GLN 56 1HE2 GLN 56 13.624 -3.435 15.850 413 HE22 GLN 56 2HE2 GLN 56 13.580 -4.679 17.028 414 H GLU 57 H GLU 57 10.404 -4.872 10.940 415 HA GLU 57 HA GLU 57 12.458 -6.009 9.381 416 HB2 GLU 57 2HB GLU 57 9.495 -5.832 8.798 417 HB3 GLU 57 1HB GLU 57 10.633 -6.840 7.911 418 HG2 GLU 57 2HG GLU 57 11.115 -8.094 9.935 419 HG3 GLU 57 1HG GLU 57 10.006 -7.067 10.841 420 H LEU 58 H LEU 58 10.149 -3.398 8.765 421 HA LEU 58 HA LEU 58 10.896 -2.655 6.182 422 HB2 LEU 58 2HB LEU 58 10.149 -0.791 8.444 423 HB3 LEU 58 1HB LEU 58 10.062 -0.417 6.739 424 HG LEU 58 HG LEU 58 8.357 -2.423 8.207 425 HD11 LEU 58 1HD1 LEU 58 7.812 -0.114 8.761 426 HD12 LEU 58 2HD1 LEU 58 6.542 -0.853 7.787 427 HD13 LEU 58 3HD1 LEU 58 7.681 0.270 7.048 428 HD21 LEU 58 3HD2 LEU 58 8.234 -1.502 5.344 429 HD22 LEU 58 1HD2 LEU 58 7.093 -2.577 6.135 430 HD23 LEU 58 2HD2 LEU 58 8.757 -3.103 5.891 431 H LEU 59 H LEU 59 12.116 -1.444 9.288 432 HA LEU 59 HA LEU 59 14.127 0.191 8.241 433 HB2 LEU 59 2HB LEU 59 13.905 -1.105 10.948 434 HB3 LEU 59 1HB LEU 59 15.164 0.038 10.530 435 HG LEU 59 HG LEU 59 12.201 0.631 10.565 436 HD11 LEU 59 1HD1 LEU 59 13.141 0.349 12.808 437 HD12 LEU 59 2HD1 LEU 59 12.740 2.037 12.475 438 HD13 LEU 59 3HD1 LEU 59 14.416 1.505 12.404 439 HD21 LEU 59 3HD2 LEU 59 14.582 2.403 10.042 440 HD22 LEU 59 1HD2 LEU 59 12.923 2.956 10.254 441 HD23 LEU 59 2HD2 LEU 59 13.340 1.951 8.869 442 H ASN 60 H ASN 60 14.292 -3.138 9.362 443 HA ASN 60 HA ASN 60 17.038 -3.387 8.749 444 HB2 ASN 60 2HB ASN 60 14.957 -5.494 9.213 445 HB3 ASN 60 1HB ASN 60 16.563 -5.947 8.647 446 HD21 ASN 60 1HD2 ASN 60 14.756 -4.569 11.256 447 HD22 ASN 60 2HD2 ASN 60 15.999 -4.692 12.454 448 H GLN 61 H GLN 61 14.285 -3.820 6.590 449 HA GLN 61 HA GLN 61 15.752 -4.925 4.441 450 HB2 GLN 61 2HB GLN 61 13.429 -2.990 4.291 451 HB3 GLN 61 1HB GLN 61 13.987 -4.050 3.003 452 HG2 GLN 61 2HG GLN 61 13.370 -5.986 4.307 453 HG3 GLN 61 1HG GLN 61 12.865 -4.946 5.631 454 HE21 GLN 61 1HE2 GLN 61 11.381 -6.848 4.226 455 HE22 GLN 61 2HE2 GLN 61 10.006 -6.068 3.539 456 H GLN 62 H GLN 62 15.396 -1.712 5.701 457 HA GLN 62 HA GLN 62 16.264 0.215 5.366 458 HB2 GLN 62 2HB GLN 62 18.504 -1.270 4.030 459 HB3 GLN 62 1HB GLN 62 18.477 0.451 4.438 460 HG2 GLN 62 2HG GLN 62 18.150 -0.065 6.722 461 HG3 GLN 62 1HG GLN 62 18.187 -1.789 6.376 462 HE21 GLN 62 1HE2 GLN 62 19.957 -0.227 8.094 463 HE22 GLN 62 2HE2 GLN 62 21.556 -0.441 7.494 464 H LYS 63 H LYS 63 14.595 0.814 4.237 465 HA LYS 63 HA LYS 63 15.084 1.132 1.379 466 HB2 LYS 63 2HB LYS 63 12.543 1.323 2.953 467 HB3 LYS 63 1HB LYS 63 12.694 1.529 1.206 468 HG2 LYS 63 2HG LYS 63 13.520 -0.884 2.696 469 HG3 LYS 63 1HG LYS 63 11.931 -0.703 1.941 470 HD2 LYS 63 2HD LYS 63 13.084 -0.430 -0.248 471 HD3 LYS 63 1HD LYS 63 14.640 -0.624 0.562 472 HE2 LYS 63 2HE LYS 63 13.983 -2.884 1.235 473 HE3 LYS 63 1HE LYS 63 12.451 -2.688 0.376 474 HZ1 LYS 63 3HZ LYS 63 15.145 -2.561 -0.848 475 HZ2 LYS 63 1HZ LYS 63 13.699 -2.428 -1.688 476 HZ3 LYS 63 2HZ LYS 63 14.119 -3.887 -0.947 477 H LYS 64 H LYS 64 14.794 3.034 0.448 478 HA LYS 64 HA LYS 64 14.891 5.389 2.203 479 HB2 LYS 64 2HB LYS 64 16.674 4.805 -0.140 480 HB3 LYS 64 1HB LYS 64 16.628 6.344 0.702 481 HG2 LYS 64 2HG LYS 64 17.471 3.690 1.887 482 HG3 LYS 64 1HG LYS 64 18.551 5.014 1.439 483 HD2 LYS 64 2HD LYS 64 17.464 6.451 3.116 484 HD3 LYS 64 1HD LYS 64 16.387 5.130 3.551 485 HE2 LYS 64 2HE LYS 64 18.187 5.309 5.150 486 HE3 LYS 64 1HE LYS 64 18.305 3.795 4.261 487 HZ1 LYS 64 3HZ LYS 64 19.908 6.240 3.749 488 HZ2 LYS 64 1HZ LYS 64 20.034 4.801 2.881 489 HZ3 LYS 64 2HZ LYS 64 20.446 4.841 4.511 490 H SER 65 H SER 65 14.718 7.406 0.841 491 HA SER 65 HA SER 65 12.251 7.643 -0.297 492 HB2 SER 65 2HB SER 65 13.127 9.754 -1.311 493 HB3 SER 65 1HB SER 65 13.516 9.556 0.398 494 HG SER 65 HG SER 65 15.305 8.575 -1.482 495 H GLY 66 H GLY 66 11.409 6.601 -1.978 496 HA2 GLY 66 2HA GLY 66 11.207 6.508 -4.381 497 HA3 GLY 66 1HA GLY 66 12.963 6.506 -4.486 498 H GLU 67 H GLU 67 12.293 4.549 -1.971 499 HA GLU 67 HA GLU 67 12.194 2.133 -3.628 500 HB2 GLU 67 2HB GLU 67 13.398 2.586 -0.891 501 HB3 GLU 67 1HB GLU 67 13.377 1.066 -1.759 502 HG2 GLU 67 2HG GLU 67 14.794 3.556 -2.645 503 HG3 GLU 67 1HG GLU 67 15.541 2.178 -1.826 504 H VAL 68 H VAL 68 11.147 0.358 -2.477 505 HA VAL 68 HA VAL 68 9.064 1.358 -0.681 506 HB VAL 68 HB VAL 68 8.153 0.886 -2.965 507 HG11 VAL 68 1HG1 VAL 68 9.568 -0.994 -3.602 508 HG12 VAL 68 2HG1 VAL 68 7.854 -1.394 -3.746 509 HG13 VAL 68 3HG1 VAL 68 8.798 -1.996 -2.381 510 HG21 VAL 68 3HG2 VAL 68 6.222 -0.380 -2.247 511 HG22 VAL 68 1HG2 VAL 68 6.711 0.787 -1.011 512 HG23 VAL 68 2HG2 VAL 68 7.098 -0.926 -0.818 513 H ALA 69 H ALA 69 8.724 0.266 1.110 514 HA ALA 69 HA ALA 69 10.342 -2.113 1.607 515 HB1 ALA 69 1HB ALA 69 10.434 -0.280 3.270 516 HB2 ALA 69 2HB ALA 69 9.750 -1.743 3.954 517 HB3 ALA 69 3HB ALA 69 8.691 -0.410 3.495 518 H VAL 70 H VAL 70 9.326 -4.069 2.293 519 HA VAL 70 HA VAL 70 6.458 -4.104 1.887 520 HB VAL 70 HB VAL 70 7.299 -4.448 -0.323 521 HG11 VAL 70 1HG1 VAL 70 8.657 -6.400 -0.992 522 HG12 VAL 70 2HG1 VAL 70 8.835 -6.828 0.712 523 HG13 VAL 70 3HG1 VAL 70 9.514 -5.318 0.102 524 HG21 VAL 70 3HG2 VAL 70 5.280 -5.622 0.205 525 HG22 VAL 70 1HG2 VAL 70 6.194 -7.009 0.812 526 HG23 VAL 70 2HG2 VAL 70 6.246 -6.594 -0.904 527 H LEU 71 H LEU 71 5.370 -5.485 2.989 528 HA LEU 71 HA LEU 71 6.816 -7.435 4.709 529 HB2 LEU 71 2HB LEU 71 4.273 -5.931 5.338 530 HB3 LEU 71 1HB LEU 71 5.020 -7.112 6.360 531 HG LEU 71 HG LEU 71 6.230 -4.450 5.631 532 HD11 LEU 71 1HD1 LEU 71 5.852 -3.903 7.994 533 HD12 LEU 71 2HD1 LEU 71 5.073 -5.467 8.230 534 HD13 LEU 71 3HD1 LEU 71 4.334 -4.270 7.172 535 HD21 LEU 71 3HD2 LEU 71 7.956 -6.154 5.964 536 HD22 LEU 71 1HD2 LEU 71 7.238 -6.589 7.517 537 HD23 LEU 71 2HD2 LEU 71 7.946 -4.996 7.293 538 H LYS 72 H LYS 72 6.108 -9.496 4.618 539 HA LYS 72 HA LYS 72 3.591 -9.932 3.204 540 HB2 LYS 72 2HB LYS 72 5.520 -10.906 2.091 541 HB3 LYS 72 1HB LYS 72 5.907 -11.815 3.558 542 HG2 LYS 72 2HG LYS 72 3.855 -13.091 3.321 543 HG3 LYS 72 1HG LYS 72 3.397 -12.129 1.912 544 HD2 LYS 72 2HD LYS 72 5.461 -12.912 0.773 545 HD3 LYS 72 1HD LYS 72 5.785 -13.949 2.160 546 HE2 LYS 72 2HE LYS 72 3.798 -15.213 1.751 547 HE3 LYS 72 1HE LYS 72 3.276 -14.085 0.497 548 HZ1 LYS 72 3HZ LYS 72 5.213 -14.707 -0.792 549 HZ2 LYS 72 1HZ LYS 72 4.233 -16.048 -0.485 550 HZ3 LYS 72 2HZ LYS 72 5.666 -15.848 0.383 551 H ARG 73 H ARG 73 2.052 -10.797 4.226 552 HA ARG 73 HA ARG 73 2.552 -11.817 6.951 553 HB2 ARG 73 2HB ARG 73 1.014 -9.851 6.794 554 HB3 ARG 73 1HB ARG 73 -0.042 -10.795 5.756 555 HG2 ARG 73 2HG ARG 73 -1.036 -10.816 7.899 556 HG3 ARG 73 1HG ARG 73 -0.307 -12.403 7.692 557 HD2 ARG 73 2HD ARG 73 0.809 -10.094 9.311 558 HD3 ARG 73 1HD ARG 73 0.061 -11.536 9.963 559 HE ARG 73 HE ARG 73 2.635 -11.439 8.547 560 HH11 ARG 73 1HH1 ARG 73 0.548 -12.941 10.978 561 HH12 ARG 73 2HH1 ARG 73 1.756 -13.965 11.585 562 HH21 ARG 73 1HH2 ARG 73 4.282 -12.880 9.356 563 HH22 ARG 73 2HH2 ARG 73 3.926 -13.926 10.643 564 H ASP 74 H ASP 74 0.080 -12.199 4.490 565 HA ASP 74 HA ASP 74 0.666 -14.820 3.750 566 HB2 ASP 74 2HB ASP 74 -0.163 -15.431 5.985 567 HB3 ASP 74 1HB ASP 74 -1.639 -14.516 5.695 568 H GLY 75 H GLY 75 -0.154 -14.902 1.778 569 HA2 GLY 75 2HA GLY 75 -1.821 -14.818 0.166 570 HA3 GLY 75 1HA GLY 75 -2.808 -13.868 1.265 571 H ARG 76 H ARG 76 -1.009 -11.744 1.810 572 HA ARG 76 HA ARG 76 -0.553 -10.627 -0.838 573 HB2 ARG 76 2HB ARG 76 -1.654 -8.572 -0.237 574 HB3 ARG 76 1HB ARG 76 -2.766 -9.929 -0.227 575 HG2 ARG 76 2HG ARG 76 -2.648 -10.013 2.220 576 HG3 ARG 76 1HG ARG 76 -1.527 -8.646 2.205 577 HD2 ARG 76 2HD ARG 76 -3.208 -7.286 1.094 578 HD3 ARG 76 1HD ARG 76 -4.317 -8.658 1.121 579 HE ARG 76 HE ARG 76 -3.581 -8.229 3.713 580 HH11 ARG 76 1HH1 ARG 76 -5.149 -6.355 1.142 581 HH12 ARG 76 2HH1 ARG 76 -6.089 -5.415 2.206 582 HH21 ARG 76 1HH2 ARG 76 -4.890 -6.927 5.179 583 HH22 ARG 76 2HH2 ARG 76 -5.933 -5.742 4.547 584 H TYR 77 H TYR 77 0.566 -8.554 -0.763 585 HA TYR 77 HA TYR 77 2.589 -8.537 1.349 586 HB2 TYR 77 2HB TYR 77 2.718 -7.612 -1.534 587 HB3 TYR 77 1HB TYR 77 4.004 -7.383 -0.359 588 HD1 TYR 77 2HD TYR 77 2.150 -9.911 -2.321 589 HD2 TYR 77 1HD TYR 77 5.463 -9.168 0.236 590 HE1 TYR 77 2HE TYR 77 3.061 -12.134 -2.863 591 HE2 TYR 77 1HE TYR 77 6.384 -11.372 -0.299 592 HH TYR 77 HH TYR 77 5.323 -13.233 -2.855 593 H ILE 78 H ILE 78 3.011 -6.652 2.407 594 HA ILE 78 HA ILE 78 1.118 -4.444 1.978 595 HB ILE 78 HB ILE 78 2.995 -4.795 4.331 596 HG12 ILE 78 2HG1 ILE 78 1.622 -6.833 4.233 597 HG13 ILE 78 1HG1 ILE 78 1.153 -5.824 5.595 598 HG21 ILE 78 1HG2 ILE 78 0.384 -3.327 4.007 599 HG22 ILE 78 2HG2 ILE 78 1.994 -2.598 4.041 600 HG23 ILE 78 3HG2 ILE 78 1.343 -3.387 5.480 601 HD11 ILE 78 3HD1 ILE 78 -0.762 -5.022 4.313 602 HD12 ILE 78 1HD1 ILE 78 -0.747 -6.785 4.514 603 HD13 ILE 78 2HD1 ILE 78 -0.259 -6.065 2.971 604 H TYR 79 H TYR 79 1.939 -2.686 1.028 605 HA TYR 79 HA TYR 79 4.844 -2.445 0.804 606 HB2 TYR 79 2HB TYR 79 2.653 -1.253 -0.875 607 HB3 TYR 79 1HB TYR 79 4.360 -0.903 -1.079 608 HD1 TYR 79 1HD TYR 79 1.725 -3.397 -1.501 609 HD2 TYR 79 2HD TYR 79 5.851 -2.549 -2.013 610 HE1 TYR 79 1HE TYR 79 1.929 -5.336 -2.968 611 HE2 TYR 79 2HE TYR 79 6.073 -4.491 -3.490 612 HH TYR 79 HH TYR 79 3.422 -6.187 -4.718 613 H TYR 80 H TYR 80 5.884 -0.637 1.221 614 HA TYR 80 HA TYR 80 4.452 1.631 2.362 615 HB2 TYR 80 2HB TYR 80 6.886 0.252 3.486 616 HB3 TYR 80 1HB TYR 80 6.317 1.822 4.032 617 HD1 TYR 80 2HD TYR 80 5.662 -1.784 3.997 618 HD2 TYR 80 1HD TYR 80 4.375 1.996 5.437 619 HE1 TYR 80 2HE TYR 80 4.204 -2.907 5.599 620 HE2 TYR 80 1HE TYR 80 2.898 0.884 7.059 621 HH TYR 80 HH TYR 80 3.114 -2.445 7.719 622 H LEU 81 H LEU 81 4.782 3.084 0.858 623 HA LEU 81 HA LEU 81 7.084 3.295 -0.843 624 HB2 LEU 81 2HB LEU 81 4.910 5.308 -0.266 625 HB3 LEU 81 1HB LEU 81 5.964 5.284 -1.648 626 HG LEU 81 HG LEU 81 3.812 3.275 -1.029 627 HD11 LEU 81 1HD1 LEU 81 2.921 5.412 -1.729 628 HD12 LEU 81 2HD1 LEU 81 2.706 4.199 -2.993 629 HD13 LEU 81 3HD1 LEU 81 3.980 5.409 -3.140 630 HD21 LEU 81 3HD2 LEU 81 5.577 3.463 -3.469 631 HD22 LEU 81 1HD2 LEU 81 4.287 2.314 -3.164 632 HD23 LEU 81 2HD2 LEU 81 5.730 2.269 -2.172 633 H ILE 82 H ILE 82 8.950 4.203 -0.194 634 HA ILE 82 HA ILE 82 8.928 5.949 2.202 635 HB ILE 82 HB ILE 82 11.298 4.911 0.633 636 HG12 ILE 82 2HG1 ILE 82 10.015 2.977 1.548 637 HG13 ILE 82 1HG1 ILE 82 11.590 3.169 2.299 638 HG21 ILE 82 1HG2 ILE 82 12.478 5.458 2.710 639 HG22 ILE 82 2HG2 ILE 82 10.938 6.032 3.384 640 HG23 ILE 82 3HG2 ILE 82 11.657 6.860 2.002 641 HD11 ILE 82 3HD1 ILE 82 10.514 4.193 4.250 642 HD12 ILE 82 1HD1 ILE 82 9.913 2.570 3.938 643 HD13 ILE 82 2HD1 ILE 82 8.938 3.976 3.503 644 H THR 83 H THR 83 8.443 7.830 1.884 645 HA THR 83 HA THR 83 9.146 9.150 -0.600 646 HB THR 83 HB THR 83 7.743 10.976 0.398 647 HG1 THR 83 1HG THR 83 6.454 10.378 2.196 648 HG21 THR 83 3HG2 THR 83 6.825 9.412 -1.233 649 HG22 THR 83 1HG2 THR 83 5.614 9.804 -0.014 650 HG23 THR 83 2HG2 THR 83 6.466 8.252 0.052 651 H LYS 84 H LYS 84 9.387 9.869 2.873 652 HA LYS 84 HA LYS 84 11.812 11.426 2.305 653 HB2 LYS 84 2HB LYS 84 9.351 12.547 3.631 654 HB3 LYS 84 1HB LYS 84 10.907 13.353 3.628 655 HG2 LYS 84 2HG LYS 84 9.278 12.683 1.167 656 HG3 LYS 84 1HG LYS 84 9.347 14.265 1.937 657 HD2 LYS 84 2HD LYS 84 11.734 14.397 1.482 658 HD3 LYS 84 1HD LYS 84 11.709 12.794 0.747 659 HE2 LYS 84 2HE LYS 84 10.195 13.635 -0.978 660 HE3 LYS 84 1HE LYS 84 10.221 15.231 -0.232 661 HZ1 LYS 84 3HZ LYS 84 12.572 13.817 -1.391 662 HZ2 LYS 84 1HZ LYS 84 12.601 15.331 -0.631 663 HZ3 LYS 84 2HZ LYS 84 11.772 15.115 -2.081 664 H LYS 85 H LYS 85 12.645 12.407 4.491 665 HA LYS 85 HA LYS 85 13.239 10.179 6.173 666 HB2 LYS 85 2HB LYS 85 13.844 13.089 6.709 667 HB3 LYS 85 1HB LYS 85 14.636 11.698 7.447 668 HG2 LYS 85 2HG LYS 85 15.389 11.015 5.192 669 HG3 LYS 85 1HG LYS 85 14.673 12.503 4.585 670 HD2 LYS 85 2HD LYS 85 16.207 13.801 5.970 671 HD3 LYS 85 1HD LYS 85 16.943 12.295 6.545 672 HE2 LYS 85 2HE LYS 85 16.822 13.244 3.688 673 HE3 LYS 85 1HE LYS 85 18.254 13.228 4.714 674 HZ1 LYS 85 3HZ LYS 85 18.184 11.301 3.194 675 HZ2 LYS 85 1HZ LYS 85 16.739 10.775 3.888 676 HZ3 LYS 85 2HZ LYS 85 18.149 10.820 4.797 677 H ARG 86 H ARG 86 10.989 12.773 6.414 678 HA ARG 86 HA ARG 86 10.165 11.775 9.064 679 HB2 ARG 86 2HB ARG 86 10.110 14.662 8.149 680 HB3 ARG 86 1HB ARG 86 9.599 14.069 9.716 681 HG2 ARG 86 2HG ARG 86 12.416 14.018 8.644 682 HG3 ARG 86 1HG ARG 86 11.788 15.154 9.838 683 HD2 ARG 86 2HD ARG 86 11.338 13.413 11.329 684 HD3 ARG 86 1HD ARG 86 11.806 12.190 10.139 685 HE ARG 86 HE ARG 86 13.655 14.100 11.434 686 HH11 ARG 86 1HH1 ARG 86 13.112 11.005 9.741 687 HH12 ARG 86 2HH1 ARG 86 14.601 10.349 10.103 688 HH21 ARG 86 1HH2 ARG 86 15.786 13.171 11.965 689 HH22 ARG 86 2HH2 ARG 86 16.157 11.607 11.419 690 H ALA 87 H ALA 87 7.956 11.687 9.375 691 HA ALA 87 HA ALA 87 6.402 11.469 6.994 692 HB1 ALA 87 1HB ALA 87 6.041 9.997 8.956 693 HB2 ALA 87 2HB ALA 87 4.567 10.836 8.465 694 HB3 ALA 87 3HB ALA 87 5.470 11.406 9.859 695 H SER 88 H SER 88 7.260 14.004 8.961 696 HA SER 88 HA SER 88 4.952 15.629 8.350 697 HB2 SER 88 2HB SER 88 6.048 15.806 10.566 698 HB3 SER 88 1HB SER 88 7.533 16.340 9.785 699 HG SER 88 HG SER 88 6.154 18.114 8.920 700 H HIS 89 H HIS 89 7.543 14.583 6.604 701 HA HIS 89 HA HIS 89 8.138 17.110 5.327 702 HB2 HIS 89 2HB HIS 89 9.160 14.325 4.829 703 HB3 HIS 89 1HB HIS 89 9.441 15.618 3.699 704 HD1 HIS 89 1HD HIS 89 12.034 15.239 4.171 705 HD2 HIS 89 2HD HIS 89 9.760 16.628 7.324 706 HE1 HIS 89 1HE HIS 89 13.684 15.917 5.843 707 HE2 HIS 89 2HE HIS 89 12.324 17.148 7.569 708 H LYS 90 H LYS 90 7.674 17.540 3.354 709 HA LYS 90 HA LYS 90 5.211 16.343 2.372 710 HB2 LYS 90 2HB LYS 90 6.759 18.666 1.239 711 HB3 LYS 90 1HB LYS 90 5.208 18.102 0.640 712 HG2 LYS 90 2HG LYS 90 4.216 18.619 2.844 713 HG3 LYS 90 1HG LYS 90 5.774 19.281 3.346 714 HD2 LYS 90 2HD LYS 90 5.682 20.911 1.543 715 HD3 LYS 90 1HD LYS 90 4.158 20.228 0.986 716 HE2 LYS 90 2HE LYS 90 3.163 20.816 3.180 717 HE3 LYS 90 1HE LYS 90 4.678 21.614 3.607 718 HZ1 LYS 90 3HZ LYS 90 4.365 23.101 1.690 719 HZ2 LYS 90 1HZ LYS 90 3.053 23.182 2.750 720 HZ3 LYS 90 2HZ LYS 90 2.926 22.296 1.324 721 HA PRO 91 HA PRO 91 7.401 13.783 -0.563 722 HB2 PRO 91 2HB PRO 91 5.237 12.612 -1.647 723 HB3 PRO 91 1HB PRO 91 5.794 12.184 -0.022 724 HG2 PRO 91 2HG PRO 91 3.588 14.033 -0.837 725 HG3 PRO 91 1HG PRO 91 3.579 12.795 0.431 726 HD2 PRO 91 2HD PRO 91 3.960 15.431 0.939 727 HD3 PRO 91 1HD PRO 91 4.700 14.152 1.924 728 H THR 92 H THR 92 7.572 13.772 -2.910 729 HA THR 92 HA THR 92 6.184 16.021 -4.126 730 HB THR 92 HB THR 92 8.139 16.045 -5.754 731 HG1 THR 92 1HG THR 92 9.952 14.910 -5.204 732 HG21 THR 92 3HG2 THR 92 9.770 16.985 -4.295 733 HG22 THR 92 1HG2 THR 92 9.042 16.175 -2.916 734 HG23 THR 92 2HG2 THR 92 8.170 17.499 -3.723 735 H TYR 93 H TYR 93 5.728 15.613 -6.477 736 HA TYR 93 HA TYR 93 4.390 13.180 -6.814 737 HB2 TYR 93 2HB TYR 93 5.323 15.203 -8.839 738 HB3 TYR 93 1HB TYR 93 4.388 13.783 -9.268 739 HD1 TYR 93 2HD TYR 93 2.093 13.543 -8.509 740 HD2 TYR 93 1HD TYR 93 4.267 17.115 -7.777 741 HE1 TYR 93 2HE TYR 93 0.010 14.716 -8.087 742 HE2 TYR 93 1HE TYR 93 2.170 18.306 -7.367 743 HH TYR 93 HH TYR 93 -0.199 18.087 -7.972 744 H GLU 94 H GLU 94 7.512 14.344 -7.869 745 HA GLU 94 HA GLU 94 8.338 12.188 -9.451 746 HB2 GLU 94 2HB GLU 94 10.230 13.725 -7.677 747 HB3 GLU 94 1HB GLU 94 10.541 13.005 -9.242 748 HG2 GLU 94 2HG GLU 94 10.510 15.277 -9.704 749 HG3 GLU 94 1HG GLU 94 8.877 14.773 -10.134 750 H ASN 95 H ASN 95 8.841 12.900 -6.067 751 HA ASN 95 HA ASN 95 10.342 10.716 -5.118 752 HB2 ASN 95 2HB ASN 95 9.620 12.947 -4.021 753 HB3 ASN 95 1HB ASN 95 8.113 12.182 -3.767 754 HD21 ASN 95 1HD2 ASN 95 11.182 10.540 -3.387 755 HD22 ASN 95 2HD2 ASN 95 10.992 10.347 -1.668 756 H LEU 96 H LEU 96 6.874 11.263 -5.313 757 HA LEU 96 HA LEU 96 6.130 8.858 -4.111 758 HB2 LEU 96 2HB LEU 96 4.696 10.840 -4.235 759 HB3 LEU 96 1HB LEU 96 4.549 10.620 -5.962 760 HG LEU 96 HG LEU 96 3.362 8.491 -5.590 761 HD11 LEU 96 1HD1 LEU 96 4.357 7.873 -3.443 762 HD12 LEU 96 2HD1 LEU 96 2.596 7.919 -3.331 763 HD13 LEU 96 3HD1 LEU 96 3.557 9.243 -2.673 764 HD21 LEU 96 3HD2 LEU 96 2.115 10.567 -5.841 765 HD22 LEU 96 1HD2 LEU 96 2.221 10.850 -4.109 766 HD23 LEU 96 2HD2 LEU 96 1.298 9.477 -4.724 767 H GLN 97 H GLN 97 6.272 9.735 -7.659 768 HA GLN 97 HA GLN 97 5.249 7.267 -8.446 769 HB2 GLN 97 2HB GLN 97 5.862 7.799 -10.659 770 HB3 GLN 97 1HB GLN 97 5.393 9.302 -9.899 771 HG2 GLN 97 2HG GLN 97 7.746 9.876 -9.590 772 HG3 GLN 97 1HG GLN 97 8.174 8.339 -10.351 773 HE21 GLN 97 1HE2 GLN 97 9.299 9.330 -11.983 774 HE22 GLN 97 2HE2 GLN 97 8.531 10.157 -13.278 775 H LYS 98 H LYS 98 8.500 8.282 -7.675 776 HA LYS 98 HA LYS 98 9.998 6.184 -8.674 777 HB2 LYS 98 2HB LYS 98 10.295 7.845 -6.204 778 HB3 LYS 98 1HB LYS 98 11.523 6.685 -6.619 779 HG2 LYS 98 2HG LYS 98 10.651 9.059 -8.265 780 HG3 LYS 98 1HG LYS 98 12.132 8.861 -7.325 781 HD2 LYS 98 2HD LYS 98 12.850 7.046 -8.771 782 HD3 LYS 98 1HD LYS 98 11.357 7.167 -9.695 783 HE2 LYS 98 2HE LYS 98 13.164 8.251 -10.879 784 HE3 LYS 98 1HE LYS 98 11.972 9.443 -10.373 785 HZ1 LYS 98 3HZ LYS 98 13.444 10.092 -8.557 786 HZ2 LYS 98 1HZ LYS 98 14.264 10.172 -10.027 787 HZ3 LYS 98 2HZ LYS 98 14.539 8.886 -8.994 788 H SER 99 H SER 99 8.113 6.428 -5.769 789 HA SER 99 HA SER 99 8.795 3.869 -4.670 790 HB2 SER 99 2HB SER 99 6.538 5.773 -4.013 791 HB3 SER 99 1HB SER 99 7.171 4.450 -3.020 792 HG SER 99 HG SER 99 8.398 6.923 -3.630 793 H LEU 100 H LEU 100 6.057 5.179 -6.618 794 HA LEU 100 HA LEU 100 4.429 2.878 -6.679 795 HB2 LEU 100 2HB LEU 100 4.862 5.191 -8.554 796 HB3 LEU 100 1HB LEU 100 3.807 3.877 -9.000 797 HG LEU 100 HG LEU 100 2.745 5.973 -8.113 798 HD11 LEU 100 1HD1 LEU 100 1.050 4.727 -6.776 799 HD12 LEU 100 2HD1 LEU 100 2.170 3.366 -6.677 800 HD13 LEU 100 3HD1 LEU 100 1.527 3.872 -8.241 801 HD21 LEU 100 3HD2 LEU 100 2.553 6.222 -5.686 802 HD22 LEU 100 1HD2 LEU 100 4.210 6.435 -6.250 803 HD23 LEU 100 2HD2 LEU 100 3.731 4.929 -5.472 804 H GLU 101 H GLU 101 7.130 3.847 -8.729 805 HA GLU 101 HA GLU 101 7.064 1.747 -10.587 806 HB2 GLU 101 2HB GLU 101 9.476 3.084 -9.388 807 HB3 GLU 101 1HB GLU 101 9.468 2.117 -10.850 808 HG2 GLU 101 2HG GLU 101 7.993 3.692 -11.852 809 HG3 GLU 101 1HG GLU 101 8.052 4.710 -10.416 810 H ALA 102 H ALA 102 8.741 2.145 -7.653 811 HA ALA 102 HA ALA 102 10.088 -0.269 -7.417 812 HB1 ALA 102 1HB ALA 102 10.397 1.675 -5.921 813 HB2 ALA 102 2HB ALA 102 10.247 0.158 -5.051 814 HB3 ALA 102 3HB ALA 102 8.876 1.272 -5.123 815 H MET 103 H MET 103 6.794 0.504 -6.419 816 HA MET 103 HA MET 103 6.199 -2.059 -5.382 817 HB2 MET 103 2HB MET 103 4.440 0.129 -6.363 818 HB3 MET 103 1HB MET 103 3.759 -1.371 -5.772 819 HG2 MET 103 2HG MET 103 5.000 -0.921 -3.671 820 HG3 MET 103 1HG MET 103 5.335 0.700 -4.310 821 HE1 MET 103 3HE MET 103 3.310 2.383 -5.036 822 HE2 MET 103 1HE MET 103 1.611 1.998 -4.784 823 HE3 MET 103 2HE MET 103 2.545 1.108 -5.987 824 H LYS 104 H LYS 104 5.446 -0.603 -8.583 825 HA LYS 104 HA LYS 104 4.138 -2.872 -9.444 826 HB2 LYS 104 2HB LYS 104 4.203 -1.898 -11.692 827 HB3 LYS 104 1HB LYS 104 3.696 -0.769 -10.461 828 HG2 LYS 104 2HG LYS 104 4.906 0.379 -12.000 829 HG3 LYS 104 1HG LYS 104 5.947 0.223 -10.577 830 HD2 LYS 104 2HD LYS 104 7.241 -1.491 -11.727 831 HD3 LYS 104 1HD LYS 104 6.098 -1.443 -13.086 832 HE2 LYS 104 2HE LYS 104 6.711 0.840 -13.558 833 HE3 LYS 104 1HE LYS 104 7.814 0.876 -12.184 834 HZ1 LYS 104 3HZ LYS 104 8.947 0.582 -14.279 835 HZ2 LYS 104 1HZ LYS 104 8.115 -0.840 -14.601 836 HZ3 LYS 104 2HZ LYS 104 9.200 -0.752 -13.307 837 H SER 105 H SER 105 7.515 -2.071 -9.548 838 HA SER 105 HA SER 105 8.315 -4.115 -11.307 839 HB2 SER 105 2HB SER 105 9.753 -2.189 -10.654 840 HB3 SER 105 1HB SER 105 9.871 -2.852 -9.030 841 HG SER 105 HG SER 105 11.257 -3.430 -11.229 842 H HIS 106 H HIS 106 7.855 -4.060 -7.798 843 HA HIS 106 HA HIS 106 8.888 -6.693 -7.324 844 HB2 HIS 106 2HB HIS 106 8.883 -5.029 -5.550 845 HB3 HIS 106 1HB HIS 106 7.128 -4.924 -5.631 846 HD1 HIS 106 1HD HIS 106 5.976 -6.283 -3.888 847 HD2 HIS 106 2HD HIS 106 9.585 -7.915 -5.055 848 HE1 HIS 106 1HE HIS 106 6.251 -8.181 -2.419 849 HE2 HIS 106 2HE HIS 106 8.648 -8.941 -2.817 850 H CYS 107 H CYS 107 5.704 -5.433 -8.001 851 HA CYS 107 HA CYS 107 4.330 -7.655 -7.096 852 HB2 CYS 107 2HB CYS 107 3.571 -5.640 -9.171 853 HB3 CYS 107 1HB CYS 107 2.447 -6.818 -8.490 854 HG CYS 107 HG CYS 107 3.880 -4.121 -7.054 855 H LEU 108 H LEU 108 5.852 -7.070 -10.255 856 HA LEU 108 HA LEU 108 4.836 -9.189 -11.680 857 HB2 LEU 108 2HB LEU 108 7.462 -7.790 -11.709 858 HB3 LEU 108 1HB LEU 108 7.214 -9.201 -12.703 859 HG LEU 108 HG LEU 108 5.440 -8.053 -13.917 860 HD11 LEU 108 1HD1 LEU 108 5.017 -5.685 -13.608 861 HD12 LEU 108 2HD1 LEU 108 6.077 -5.687 -12.196 862 HD13 LEU 108 3HD1 LEU 108 4.583 -6.618 -12.173 863 HD21 LEU 108 3HD2 LEU 108 6.866 -6.394 -15.029 864 HD22 LEU 108 1HD2 LEU 108 7.699 -7.923 -14.678 865 HD23 LEU 108 2HD2 LEU 108 7.983 -6.518 -13.657 866 H LYS 109 H LYS 109 7.568 -9.179 -9.340 867 HA LYS 109 HA LYS 109 8.480 -11.767 -10.009 868 HB2 LYS 109 2HB LYS 109 8.766 -10.230 -7.447 869 HB3 LYS 109 1HB LYS 109 9.707 -11.636 -7.939 870 HG2 LYS 109 2HG LYS 109 10.441 -10.404 -9.891 871 HG3 LYS 109 1HG LYS 109 9.601 -8.986 -9.300 872 HD2 LYS 109 2HD LYS 109 12.014 -8.874 -8.678 873 HD3 LYS 109 1HD LYS 109 10.946 -8.926 -7.272 874 HE2 LYS 109 2HE LYS 109 11.401 -11.298 -6.979 875 HE3 LYS 109 1HE LYS 109 12.392 -11.312 -8.436 876 HZ1 LYS 109 3HZ LYS 109 13.681 -11.244 -6.407 877 HZ2 LYS 109 1HZ LYS 109 12.956 -9.805 -5.945 878 HZ3 LYS 109 2HZ LYS 109 13.944 -9.848 -7.325 879 H ASN 110 H ASN 110 5.923 -10.723 -8.326 880 HA ASN 110 HA ASN 110 5.595 -13.290 -6.847 881 HB2 ASN 110 2HB ASN 110 4.519 -10.575 -6.109 882 HB3 ASN 110 1HB ASN 110 4.210 -12.063 -5.207 883 HD21 ASN 110 1HD2 ASN 110 6.626 -9.703 -6.145 884 HD22 ASN 110 2HD2 ASN 110 7.789 -10.161 -4.972 885 H GLY 111 H GLY 111 4.282 -11.465 -9.341 886 HA2 GLY 111 2HA GLY 111 2.426 -11.741 -10.627 887 HA3 GLY 111 1HA GLY 111 2.099 -13.233 -9.751 888 H VAL 112 H VAL 112 2.297 -9.857 -8.692 889 HA VAL 112 HA VAL 112 -0.355 -10.175 -7.481 890 HB VAL 112 HB VAL 112 1.753 -8.058 -6.913 891 HG11 VAL 112 1HG1 VAL 112 -0.510 -7.277 -6.537 892 HG12 VAL 112 2HG1 VAL 112 0.345 -7.475 -5.003 893 HG13 VAL 112 3HG1 VAL 112 -0.843 -8.678 -5.519 894 HG21 VAL 112 3HG2 VAL 112 2.062 -9.193 -4.774 895 HG22 VAL 112 1HG2 VAL 112 2.455 -10.253 -6.137 896 HG23 VAL 112 2HG2 VAL 112 0.913 -10.435 -5.289 897 H THR 113 H THR 113 -1.980 -9.112 -8.369 898 HA THR 113 HA THR 113 -1.388 -6.835 -10.146 899 HB THR 113 HB THR 113 -1.700 -8.864 -11.533 900 HG1 THR 113 1HG THR 113 -2.779 -7.791 -12.950 901 HG21 THR 113 3HG2 THR 113 -3.099 -10.186 -10.052 902 HG22 THR 113 1HG2 THR 113 -3.887 -10.004 -11.620 903 HG23 THR 113 2HG2 THR 113 -4.423 -9.038 -10.240 904 H ASP 114 H ASP 114 -2.658 -7.471 -7.313 905 HA ASP 114 HA ASP 114 -4.813 -5.519 -7.728 906 HB2 ASP 114 2HB ASP 114 -4.991 -7.926 -5.879 907 HB3 ASP 114 1HB ASP 114 -6.193 -6.667 -6.044 908 H LEU 115 H LEU 115 -4.384 -3.790 -6.540 909 HA LEU 115 HA LEU 115 -3.263 -4.090 -3.875 910 HB2 LEU 115 2HB LEU 115 -2.088 -2.333 -6.003 911 HB3 LEU 115 1HB LEU 115 -2.001 -1.818 -4.344 912 HG LEU 115 HG LEU 115 -0.813 -4.015 -3.895 913 HD11 LEU 115 1HD1 LEU 115 0.388 -5.017 -5.746 914 HD12 LEU 115 2HD1 LEU 115 -0.523 -4.004 -6.867 915 HD13 LEU 115 3HD1 LEU 115 -1.362 -5.204 -5.883 916 HD21 LEU 115 3HD2 LEU 115 1.341 -3.139 -4.622 917 HD22 LEU 115 1HD2 LEU 115 0.326 -1.942 -3.832 918 HD23 LEU 115 2HD2 LEU 115 0.507 -1.915 -5.594 919 H SER 116 H SER 116 -3.821 -2.605 -2.406 920 HA SER 116 HA SER 116 -5.815 -0.629 -3.189 921 HB2 SER 116 2HB SER 116 -6.851 -1.127 -0.952 922 HB3 SER 116 1HB SER 116 -7.015 -2.430 -2.141 923 HG SER 116 HG SER 116 -5.045 -3.306 -1.061 924 H MET 117 H MET 117 -5.653 1.377 -2.115 925 HA MET 117 HA MET 117 -3.856 1.736 0.087 926 HB2 MET 117 2HB MET 117 -2.230 3.159 -1.022 927 HB3 MET 117 1HB MET 117 -2.273 1.619 -1.827 928 HG2 MET 117 2HG MET 117 -3.845 2.689 -3.555 929 HG3 MET 117 1HG MET 117 -3.428 4.223 -2.808 930 HE1 MET 117 3HE MET 117 -0.497 1.468 -5.059 931 HE2 MET 117 1HE MET 117 -2.231 1.191 -4.940 932 HE3 MET 117 2HE MET 117 -1.219 1.012 -3.517 933 HA PRO 118 HA PRO 118 -6.511 5.361 0.292 934 HB2 PRO 118 2HB PRO 118 -5.282 6.785 2.196 935 HB3 PRO 118 1HB PRO 118 -5.944 5.188 2.557 936 HG2 PRO 118 2HG PRO 118 -3.121 6.025 2.214 937 HG3 PRO 118 1HG PRO 118 -3.807 4.726 3.200 938 HD2 PRO 118 2HD PRO 118 -2.617 4.508 0.617 939 HD3 PRO 118 1HD PRO 118 -3.400 3.223 1.560 940 H ARG 119 H ARG 119 -5.654 8.047 0.896 941 HA ARG 119 HA ARG 119 -4.715 8.863 -1.680 942 HB2 ARG 119 2HB ARG 119 -4.969 10.535 0.829 943 HB3 ARG 119 1HB ARG 119 -4.728 11.142 -0.791 944 HG2 ARG 119 2HG ARG 119 -6.947 10.301 -1.408 945 HG3 ARG 119 1HG ARG 119 -7.213 9.774 0.254 946 HD2 ARG 119 2HD ARG 119 -6.677 12.161 0.942 947 HD3 ARG 119 1HD ARG 119 -6.771 12.572 -0.762 948 HE ARG 119 HE ARG 119 -9.012 11.521 0.839 949 HH11 ARG 119 1HH1 ARG 119 -7.857 13.543 -1.858 950 HH12 ARG 119 2HH1 ARG 119 -9.391 14.205 -2.146 951 HH21 ARG 119 1HH2 ARG 119 -11.020 12.454 0.459 952 HH22 ARG 119 2HH2 ARG 119 -11.268 13.567 -0.820 953 H ILE 120 H ILE 120 -2.687 8.173 -2.034 954 HA ILE 120 HA ILE 120 -0.652 8.612 -0.058 955 HB ILE 120 HB ILE 120 0.902 7.647 -1.784 956 HG12 ILE 120 2HG1 ILE 120 -1.675 7.276 -3.348 957 HG13 ILE 120 1HG1 ILE 120 -0.320 8.296 -3.813 958 HG21 ILE 120 1HG2 ILE 120 -0.067 6.230 -0.064 959 HG22 ILE 120 2HG2 ILE 120 0.042 5.344 -1.582 960 HG23 ILE 120 3HG2 ILE 120 -1.508 5.984 -1.053 961 HD11 ILE 120 3HD1 ILE 120 -0.318 6.268 -5.099 962 HD12 ILE 120 1HD1 ILE 120 -0.404 5.305 -3.645 963 HD13 ILE 120 2HD1 ILE 120 1.069 6.230 -3.998 964 H GLY 121 H GLY 121 0.619 10.286 0.099 965 HA2 GLY 121 2HA GLY 121 1.873 12.143 -0.558 966 HA3 GLY 121 1HA GLY 121 1.231 11.968 -2.187 967 H CYS 122 H CYS 122 -1.195 12.380 -2.267 968 HA CYS 122 HA CYS 122 -1.627 15.087 -1.452 969 HB2 CYS 122 2HB CYS 122 -2.515 14.168 -3.590 970 HB3 CYS 122 1HB CYS 122 -3.564 13.099 -2.678 971 HG CYS 122 HG CYS 122 -3.805 16.535 -2.593 972 H GLY 123 H GLY 123 -2.556 15.790 0.363 973 HA2 GLY 123 2HA GLY 123 -4.422 15.425 1.975 974 HA3 GLY 123 1HA GLY 123 -3.815 13.776 2.125 975 H LEU 124 H LEU 124 -1.098 14.370 1.996 976 HA LEU 124 HA LEU 124 -0.596 15.388 4.651 977 HB2 LEU 124 2HB LEU 124 0.598 13.399 3.623 978 HB3 LEU 124 1HB LEU 124 1.337 14.481 2.475 979 HG LEU 124 HG LEU 124 1.837 14.597 5.465 980 HD11 LEU 124 1HD1 LEU 124 3.970 13.491 4.947 981 HD12 LEU 124 2HD1 LEU 124 3.433 13.264 3.278 982 HD13 LEU 124 3HD1 LEU 124 2.578 12.472 4.594 983 HD21 LEU 124 3HD2 LEU 124 3.328 15.798 3.126 984 HD22 LEU 124 1HD2 LEU 124 3.823 15.894 4.815 985 HD23 LEU 124 2HD2 LEU 124 2.341 16.694 4.282 986 H ASP 125 H ASP 125 -0.005 16.217 1.305 987 HA ASP 125 HA ASP 125 0.055 19.032 2.074 988 HB2 ASP 125 2HB ASP 125 2.325 18.398 1.248 989 HB3 ASP 125 1HB ASP 125 1.610 17.745 -0.222 990 H ARG 126 H ARG 126 -0.575 20.273 -0.218 991 HA ARG 126 HA ARG 126 -3.276 19.461 -0.568 992 HB2 ARG 126 2HB ARG 126 -1.639 21.419 -2.119 993 HB3 ARG 126 1HB ARG 126 -3.367 21.213 -2.241 994 HG2 ARG 126 2HG ARG 126 -3.635 21.958 0.049 995 HG3 ARG 126 1HG ARG 126 -1.877 22.110 0.202 996 HD2 ARG 126 2HD ARG 126 -1.831 23.604 -1.645 997 HD3 ARG 126 1HD ARG 126 -3.582 23.532 -1.802 998 HE ARG 126 HE ARG 126 -3.464 24.386 0.636 999 HH11 ARG 126 1HH1 ARG 126 -1.390 25.430 -2.046 1000 HH12 ARG 126 2HH1 ARG 126 -1.104 26.984 -1.405 1001 HH21 ARG 126 1HH2 ARG 126 -3.096 26.571 1.477 1002 HH22 ARG 126 2HH2 ARG 126 -2.076 27.642 0.607 1003 H LEU 127 H LEU 127 -0.298 19.277 -2.547 1004 HA LEU 127 HA LEU 127 -0.109 18.964 -4.801 1005 HB2 LEU 127 2HB LEU 127 -1.021 16.244 -3.775 1006 HB3 LEU 127 1HB LEU 127 -0.547 16.505 -5.420 1007 HG LEU 127 HG LEU 127 1.723 17.107 -4.717 1008 HD11 LEU 127 1HD1 LEU 127 1.263 17.997 -2.527 1009 HD12 LEU 127 2HD1 LEU 127 2.486 16.726 -2.506 1010 HD13 LEU 127 3HD1 LEU 127 0.839 16.375 -1.947 1011 HD21 LEU 127 3HD2 LEU 127 2.415 14.875 -4.023 1012 HD22 LEU 127 1HD2 LEU 127 1.204 14.835 -5.316 1013 HD23 LEU 127 2HD2 LEU 127 0.734 14.483 -3.650 1014 H GLN 128 H GLN 128 -2.325 16.566 -5.505 1015 HA GLN 128 HA GLN 128 -4.735 17.588 -5.737 1016 HB2 GLN 128 2HB GLN 128 -3.760 19.220 -7.365 1017 HB3 GLN 128 1HB GLN 128 -3.114 17.863 -8.286 1018 HG2 GLN 128 2HG GLN 128 -5.249 16.993 -8.548 1019 HG3 GLN 128 1HG GLN 128 -5.966 18.333 -7.659 1020 HE21 GLN 128 1HE2 GLN 128 -5.960 20.403 -8.618 1021 HE22 GLN 128 2HE2 GLN 128 -5.744 20.645 -10.312 1022 H TRP 129 H TRP 129 -5.681 15.604 -5.756 1023 HA TRP 129 HA TRP 129 -4.127 13.343 -6.222 1024 HB2 TRP 129 2HB TRP 129 -6.071 13.201 -4.752 1025 HB3 TRP 129 1HB TRP 129 -7.153 13.512 -6.113 1026 HD1 TRP 129 HD TRP 129 -7.787 11.509 -7.645 1027 HE1 TRP 129 1HE TRP 129 -7.270 9.030 -7.658 1028 HE3 TRP 129 3HE TRP 129 -4.166 11.458 -4.039 1029 HZ2 TRP 129 2HZ TRP 129 -5.547 7.238 -6.298 1030 HZ3 TRP 129 3HZ TRP 129 -3.134 9.304 -3.450 1031 HH2 TRP 129 HH TRP 129 -3.817 7.231 -4.561 1032 H GLU 130 H GLU 130 -6.189 15.110 -8.365 1033 HA GLU 130 HA GLU 130 -6.414 13.305 -10.426 1034 HB2 GLU 130 2HB GLU 130 -6.157 16.309 -10.671 1035 HB3 GLU 130 1HB GLU 130 -6.711 15.235 -11.945 1036 HG2 GLU 130 2HG GLU 130 -8.663 16.198 -11.013 1037 HG3 GLU 130 1HG GLU 130 -8.592 14.557 -10.399 1038 H ASN 131 H ASN 131 -3.626 15.318 -9.649 1039 HA ASN 131 HA ASN 131 -2.229 14.435 -12.010 1040 HB2 ASN 131 2HB ASN 131 -1.282 15.994 -9.609 1041 HB3 ASN 131 1HB ASN 131 -0.138 15.340 -10.758 1042 HD21 ASN 131 1HD2 ASN 131 -2.522 17.791 -10.190 1043 HD22 ASN 131 2HD2 ASN 131 -2.248 18.637 -11.661 1044 H VAL 132 H VAL 132 -2.352 13.552 -8.650 1045 HA VAL 132 HA VAL 132 -0.256 11.687 -8.645 1046 HB VAL 132 HB VAL 132 -2.810 11.577 -7.007 1047 HG11 VAL 132 1HG1 VAL 132 -1.598 9.470 -6.970 1048 HG12 VAL 132 2HG1 VAL 132 -1.487 10.269 -5.402 1049 HG13 VAL 132 3HG1 VAL 132 -0.117 10.308 -6.514 1050 HG21 VAL 132 3HG2 VAL 132 -1.517 12.716 -5.252 1051 HG22 VAL 132 1HG2 VAL 132 -1.672 13.710 -6.702 1052 HG23 VAL 132 2HG2 VAL 132 -0.157 12.873 -6.363 1053 H SER 133 H SER 133 -3.732 11.243 -9.202 1054 HA SER 133 HA SER 133 -3.853 8.527 -9.655 1055 HB2 SER 133 2HB SER 133 -5.829 9.973 -9.449 1056 HB3 SER 133 1HB SER 133 -5.437 10.746 -10.981 1057 HG SER 133 HG SER 133 -5.647 8.445 -11.853 1058 H ALA 134 H ALA 134 -3.388 11.123 -12.044 1059 HA ALA 134 HA ALA 134 -3.122 9.505 -14.297 1060 HB1 ALA 134 1HB ALA 134 -3.469 11.937 -14.391 1061 HB2 ALA 134 2HB ALA 134 -2.087 11.434 -15.365 1062 HB3 ALA 134 3HB ALA 134 -1.829 12.184 -13.791 1063 H MET 135 H MET 135 -0.662 10.796 -12.164 1064 HA MET 135 HA MET 135 1.588 9.772 -13.434 1065 HB2 MET 135 2HB MET 135 1.628 11.513 -11.731 1066 HB3 MET 135 1HB MET 135 1.107 10.348 -10.528 1067 HG2 MET 135 2HG MET 135 3.175 9.131 -10.772 1068 HG3 MET 135 1HG MET 135 3.694 10.245 -12.041 1069 HE1 MET 135 3HE MET 135 3.088 11.498 -7.652 1070 HE2 MET 135 1HE MET 135 2.829 9.849 -8.224 1071 HE3 MET 135 2HE MET 135 1.735 11.147 -8.721 1072 H ILE 136 H ILE 136 -0.446 8.343 -10.896 1073 HA ILE 136 HA ILE 136 1.071 5.992 -10.479 1074 HB ILE 136 HB ILE 136 -1.911 6.453 -10.228 1075 HG12 ILE 136 2HG1 ILE 136 0.244 6.408 -8.102 1076 HG13 ILE 136 1HG1 ILE 136 -0.543 7.848 -8.735 1077 HG21 ILE 136 1HG2 ILE 136 -1.989 4.426 -8.809 1078 HG22 ILE 136 2HG2 ILE 136 -0.299 4.112 -9.189 1079 HG23 ILE 136 3HG2 ILE 136 -1.511 4.063 -10.465 1080 HD11 ILE 136 3HD1 ILE 136 -1.874 5.631 -7.189 1081 HD12 ILE 136 1HD1 ILE 136 -2.675 7.065 -7.833 1082 HD13 ILE 136 2HD1 ILE 136 -1.453 7.231 -6.574 1083 H GLU 137 H GLU 137 -1.585 6.769 -12.626 1084 HA GLU 137 HA GLU 137 -1.744 4.256 -13.842 1085 HB2 GLU 137 2HB GLU 137 -2.678 6.969 -14.784 1086 HB3 GLU 137 1HB GLU 137 -3.109 5.447 -15.566 1087 HG2 GLU 137 2HG GLU 137 -4.213 4.692 -13.539 1088 HG3 GLU 137 1HG GLU 137 -3.716 6.152 -12.697 1089 H GLU 138 H GLU 138 0.286 7.047 -14.497 1090 HA GLU 138 HA GLU 138 1.245 6.248 -17.051 1091 HB2 GLU 138 2HB GLU 138 2.727 7.816 -14.925 1092 HB3 GLU 138 1HB GLU 138 3.184 7.691 -16.608 1093 HG2 GLU 138 2HG GLU 138 1.083 8.865 -17.209 1094 HG3 GLU 138 1HG GLU 138 0.752 9.043 -15.482 1095 H VAL 139 H VAL 139 2.349 5.639 -13.778 1096 HA VAL 139 HA VAL 139 4.641 4.155 -14.605 1097 HB VAL 139 HB VAL 139 3.289 4.218 -11.881 1098 HG11 VAL 139 1HG1 VAL 139 4.659 2.237 -12.148 1099 HG12 VAL 139 2HG1 VAL 139 5.422 3.350 -11.017 1100 HG13 VAL 139 3HG1 VAL 139 6.023 3.214 -12.669 1101 HG21 VAL 139 3HG2 VAL 139 5.096 5.785 -11.259 1102 HG22 VAL 139 1HG2 VAL 139 4.100 6.427 -12.563 1103 HG23 VAL 139 2HG2 VAL 139 5.687 5.756 -12.917 1104 H PHE 140 H PHE 140 1.426 3.284 -13.486 1105 HA PHE 140 HA PHE 140 1.997 0.501 -13.666 1106 HB2 PHE 140 2HB PHE 140 -0.387 2.030 -12.824 1107 HB3 PHE 140 1HB PHE 140 -0.581 0.348 -13.293 1108 HD1 PHE 140 2HD PHE 140 0.575 -1.415 -12.063 1109 HD2 PHE 140 1HD PHE 140 0.661 2.629 -10.736 1110 HE1 PHE 140 2HE PHE 140 1.225 -2.162 -9.858 1111 HE2 PHE 140 1HE PHE 140 1.342 1.830 -8.488 1112 HZ PHE 140 HZ PHE 140 1.596 -0.668 -8.123 1113 H GLU 141 H GLU 141 0.958 2.704 -16.080 1114 HA GLU 141 HA GLU 141 -0.870 1.130 -17.410 1115 HB2 GLU 141 2HB GLU 141 -0.381 2.422 -19.421 1116 HB3 GLU 141 1HB GLU 141 -0.593 3.436 -17.995 1117 HG2 GLU 141 2HG GLU 141 1.804 3.695 -17.842 1118 HG3 GLU 141 1HG GLU 141 2.009 2.680 -19.272 1119 H ALA 142 H ALA 142 2.533 0.853 -17.434 1120 HA ALA 142 HA ALA 142 2.658 -0.928 -19.683 1121 HB1 ALA 142 1HB ALA 142 4.988 -1.283 -19.069 1122 HB2 ALA 142 2HB ALA 142 4.712 -0.483 -17.522 1123 HB3 ALA 142 3HB ALA 142 4.588 0.434 -19.026 1124 H THR 143 H THR 143 1.723 -1.358 -16.473 1125 HA THR 143 HA THR 143 2.316 -4.239 -16.536 1126 HB THR 143 HB THR 143 1.931 -4.205 -14.067 1127 HG1 THR 143 1HG THR 143 1.107 -1.602 -14.642 1128 HG21 THR 143 3HG2 THR 143 3.899 -2.066 -14.944 1129 HG22 THR 143 1HG2 THR 143 4.219 -3.803 -14.923 1130 HG23 THR 143 2HG2 THR 143 3.921 -2.940 -13.420 1131 H ASP 144 H ASP 144 0.345 -5.209 -14.821 1132 HA ASP 144 HA ASP 144 -2.163 -4.319 -16.112 1133 HB2 ASP 144 2HB ASP 144 -2.954 -6.589 -16.260 1134 HB3 ASP 144 1HB ASP 144 -1.365 -6.527 -16.991 1135 H ILE 145 H ILE 145 -0.682 -4.006 -13.415 1136 HA ILE 145 HA ILE 145 -2.278 -5.283 -11.450 1137 HB ILE 145 HB ILE 145 -0.377 -2.894 -10.975 1138 HG12 ILE 145 2HG1 ILE 145 0.218 -5.851 -10.866 1139 HG13 ILE 145 1HG1 ILE 145 0.558 -4.885 -12.291 1140 HG21 ILE 145 1HG2 ILE 145 -1.336 -5.028 -9.134 1141 HG22 ILE 145 2HG2 ILE 145 -1.878 -3.349 -9.154 1142 HG23 ILE 145 3HG2 ILE 145 -0.197 -3.725 -8.807 1143 HD11 ILE 145 3HD1 ILE 145 1.671 -4.420 -9.550 1144 HD12 ILE 145 1HD1 ILE 145 2.066 -3.510 -11.011 1145 HD13 ILE 145 2HD1 ILE 145 2.498 -5.217 -10.896 1146 H LYS 146 H LYS 146 -4.029 -4.583 -10.355 1147 HA LYS 146 HA LYS 146 -5.488 -2.262 -11.359 1148 HB2 LYS 146 2HB LYS 146 -6.358 -4.176 -9.200 1149 HB3 LYS 146 1HB LYS 146 -7.373 -3.179 -10.220 1150 HG2 LYS 146 2HG LYS 146 -5.839 -5.638 -11.010 1151 HG3 LYS 146 1HG LYS 146 -7.585 -5.479 -10.851 1152 HD2 LYS 146 2HD LYS 146 -7.614 -3.936 -12.741 1153 HD3 LYS 146 1HD LYS 146 -5.852 -4.055 -12.868 1154 HE2 LYS 146 2HE LYS 146 -7.834 -6.300 -13.218 1155 HE3 LYS 146 1HE LYS 146 -6.893 -5.526 -14.490 1156 HZ1 LYS 146 3HZ LYS 146 -4.854 -6.363 -13.405 1157 HZ2 LYS 146 1HZ LYS 146 -5.908 -7.599 -13.854 1158 HZ3 LYS 146 2HZ LYS 146 -5.807 -7.158 -12.247 1159 H ILE 147 H ILE 147 -6.057 -0.510 -9.991 1160 HA ILE 147 HA ILE 147 -4.639 -0.468 -7.410 1161 HB ILE 147 HB ILE 147 -5.482 1.957 -9.001 1162 HG12 ILE 147 2HG1 ILE 147 -3.957 0.725 -10.479 1163 HG13 ILE 147 1HG1 ILE 147 -3.191 2.185 -9.881 1164 HG21 ILE 147 1HG2 ILE 147 -4.993 2.325 -6.656 1165 HG22 ILE 147 2HG2 ILE 147 -3.772 3.100 -7.662 1166 HG23 ILE 147 3HG2 ILE 147 -3.407 1.580 -6.850 1167 HD11 ILE 147 3HD1 ILE 147 -2.715 -0.601 -8.859 1168 HD12 ILE 147 1HD1 ILE 147 -1.865 0.878 -8.342 1169 HD13 ILE 147 2HD1 ILE 147 -1.720 0.288 -10.008 1170 H THR 148 H THR 148 -6.155 -0.615 -5.817 1171 HA THR 148 HA THR 148 -8.752 0.631 -6.312 1172 HB THR 148 HB THR 148 -8.067 -1.442 -4.194 1173 HG1 THR 148 1HG THR 148 -8.518 -2.936 -5.654 1174 HG21 THR 148 3HG2 THR 148 -10.694 -0.434 -5.298 1175 HG22 THR 148 1HG2 THR 148 -10.031 -0.030 -3.716 1176 HG23 THR 148 2HG2 THR 148 -10.516 -1.692 -4.072 1177 H VAL 149 H VAL 149 -8.845 2.586 -5.446 1178 HA VAL 149 HA VAL 149 -7.169 3.142 -3.126 1179 HB VAL 149 HB VAL 149 -8.358 5.048 -5.165 1180 HG11 VAL 149 1HG1 VAL 149 -8.302 6.085 -2.928 1181 HG12 VAL 149 2HG1 VAL 149 -7.101 6.811 -3.998 1182 HG13 VAL 149 3HG1 VAL 149 -6.603 5.648 -2.768 1183 HG21 VAL 149 3HG2 VAL 149 -6.455 3.741 -5.938 1184 HG22 VAL 149 1HG2 VAL 149 -5.494 4.320 -4.568 1185 HG23 VAL 149 2HG2 VAL 149 -6.076 5.451 -5.792 1186 H TYR 150 H TYR 150 -8.039 3.449 -1.308 1187 HA TYR 150 HA TYR 150 -10.911 3.727 -1.193 1188 HB2 TYR 150 2HB TYR 150 -8.914 2.965 0.934 1189 HB3 TYR 150 1HB TYR 150 -10.626 3.233 1.262 1190 HD1 TYR 150 1HD TYR 150 -8.242 1.075 -0.560 1191 HD2 TYR 150 2HD TYR 150 -12.268 1.598 0.693 1192 HE1 TYR 150 1HE TYR 150 -8.761 -1.247 -1.216 1193 HE2 TYR 150 2HE TYR 150 -12.770 -0.714 0.041 1194 HH TYR 150 HH TYR 150 -10.345 -2.968 -0.687 1195 H THR 151 H THR 151 -11.796 5.530 -0.911 1196 HA THR 151 HA THR 151 -10.062 7.775 -0.442 1197 HB THR 151 HB THR 151 -11.987 9.127 -1.251 1198 HG1 THR 151 1HG THR 151 -13.744 8.042 -1.017 1199 HG21 THR 151 3HG2 THR 151 -10.200 8.434 -2.768 1200 HG22 THR 151 1HG2 THR 151 -11.756 8.440 -3.600 1201 HG23 THR 151 2HG2 THR 151 -11.042 6.914 -3.075 1202 H LEU 152 H LEU 152 -10.270 9.214 1.063 1203 HA LEU 152 HA LEU 152 -12.388 8.954 3.029 1204 HB2 LEU 152 2HB LEU 152 -10.170 8.272 3.934 1205 HB3 LEU 152 1HB LEU 152 -9.507 9.811 3.422 1206 HG LEU 152 HG LEU 152 -11.005 10.958 5.019 1207 HD11 LEU 152 1HD1 LEU 152 -12.168 9.647 6.725 1208 HD12 LEU 152 2HD1 LEU 152 -11.733 8.163 5.878 1209 HD13 LEU 152 3HD1 LEU 152 -12.807 9.332 5.113 1210 HD21 LEU 152 3HD2 LEU 152 -8.725 10.394 5.665 1211 HD22 LEU 152 1HD2 LEU 152 -9.263 8.807 6.216 1212 HD23 LEU 152 2HD2 LEU 152 -9.816 10.263 7.044 Start of MODEL 3 1 H GLU 1 H GLU 1 -14.666 -27.314 2.851 2 HA GLU 1 HA GLU 1 -14.064 -26.038 0.337 3 HB2 GLU 1 2HB GLU 1 -16.695 -26.760 1.621 4 HB3 GLU 1 1HB GLU 1 -16.548 -25.979 0.057 5 HG2 GLU 1 2HG GLU 1 -15.453 -28.693 0.765 6 HG3 GLU 1 1HG GLU 1 -16.940 -28.389 -0.133 7 H ALA 2 H ALA 2 -13.133 -24.141 0.973 8 HA ALA 2 HA ALA 2 -15.073 -22.091 1.554 9 HB1 ALA 2 1HB ALA 2 -12.482 -22.269 3.094 10 HB2 ALA 2 2HB ALA 2 -14.090 -22.555 3.760 11 HB3 ALA 2 3HB ALA 2 -13.645 -20.949 3.185 12 H SER 3 H SER 3 -14.818 -21.814 -0.644 13 HA SER 3 HA SER 3 -12.338 -20.456 -1.346 14 HB2 SER 3 2HB SER 3 -12.864 -21.210 -3.694 15 HB3 SER 3 1HB SER 3 -12.456 -22.518 -2.582 16 HG SER 3 HG SER 3 -15.058 -21.676 -3.313 17 H SER 4 H SER 4 -12.860 -18.376 -1.134 18 HA SER 4 HA SER 4 -15.259 -17.515 -2.520 19 HB2 SER 4 2HB SER 4 -14.293 -16.503 0.159 20 HB3 SER 4 1HB SER 4 -15.665 -15.862 -0.749 21 HG SER 4 HG SER 4 -16.419 -18.122 -0.704 22 H LEU 5 H LEU 5 -14.236 -16.803 -4.279 23 HA LEU 5 HA LEU 5 -12.235 -14.721 -3.887 24 HB2 LEU 5 2HB LEU 5 -12.809 -16.410 -6.344 25 HB3 LEU 5 1HB LEU 5 -11.686 -15.080 -6.300 26 HG LEU 5 HG LEU 5 -10.427 -17.076 -6.241 27 HD11 LEU 5 1HD1 LEU 5 -9.547 -15.339 -4.868 28 HD12 LEU 5 2HD1 LEU 5 -9.189 -16.916 -4.162 29 HD13 LEU 5 3HD1 LEU 5 -10.473 -15.916 -3.483 30 HD21 LEU 5 3HD2 LEU 5 -12.114 -18.672 -5.509 31 HD22 LEU 5 1HD2 LEU 5 -12.094 -17.980 -3.886 32 HD23 LEU 5 2HD2 LEU 5 -10.673 -18.817 -4.502 33 H ASN 6 H ASN 6 -13.017 -12.793 -4.044 34 HA ASN 6 HA ASN 6 -15.599 -12.423 -5.153 35 HB2 ASN 6 2HB ASN 6 -15.319 -10.007 -4.535 36 HB3 ASN 6 1HB ASN 6 -15.119 -11.119 -3.192 37 HD21 ASN 6 1HD2 ASN 6 -13.597 -8.800 -5.244 38 HD22 ASN 6 2HD2 ASN 6 -12.102 -8.688 -4.402 39 H GLU 7 H GLU 7 -15.784 -12.626 -7.181 40 HA GLU 7 HA GLU 7 -13.838 -11.389 -8.875 41 HB2 GLU 7 2HB GLU 7 -16.002 -13.342 -9.480 42 HB3 GLU 7 1HB GLU 7 -15.082 -12.515 -10.739 43 HG2 GLU 7 2HG GLU 7 -13.064 -13.277 -9.795 44 HG3 GLU 7 1HG GLU 7 -13.918 -14.145 -8.528 45 H ASP 8 H ASP 8 -14.066 -9.512 -8.775 46 HA ASP 8 HA ASP 8 -16.079 -8.250 -10.339 47 HB2 ASP 8 2HB ASP 8 -16.634 -6.546 -8.667 48 HB3 ASP 8 1HB ASP 8 -17.263 -8.124 -8.206 49 HA PRO 9 HA PRO 9 -12.193 -6.195 -11.005 50 HB2 PRO 9 2HB PRO 9 -12.870 -4.981 -13.311 51 HB3 PRO 9 1HB PRO 9 -12.436 -6.690 -13.233 52 HG2 PRO 9 2HG PRO 9 -15.125 -5.423 -13.456 53 HG3 PRO 9 1HG PRO 9 -14.533 -6.933 -14.173 54 HD2 PRO 9 2HD PRO 9 -16.117 -6.761 -11.909 55 HD3 PRO 9 1HD PRO 9 -15.095 -8.148 -12.331 56 H GLU 10 H GLU 10 -11.494 -4.106 -10.809 57 HA GLU 10 HA GLU 10 -13.203 -2.344 -9.429 58 HB2 GLU 10 2HB GLU 10 -10.481 -1.854 -10.632 59 HB3 GLU 10 1HB GLU 10 -11.317 -0.728 -9.573 60 HG2 GLU 10 2HG GLU 10 -10.437 -3.515 -8.839 61 HG3 GLU 10 1HG GLU 10 -9.650 -2.015 -8.354 62 H GLY 11 H GLY 11 -12.160 -2.505 -12.702 63 HA2 GLY 11 2HA GLY 11 -13.580 -1.852 -14.496 64 HA3 GLY 11 1HA GLY 11 -14.361 -0.709 -13.414 65 H SER 12 H SER 12 -11.332 -0.113 -12.662 66 HA SER 12 HA SER 12 -10.563 1.415 -14.969 67 HB2 SER 12 2HB SER 12 -12.216 2.827 -13.706 68 HB3 SER 12 1HB SER 12 -11.188 2.700 -12.284 69 HG SER 12 HG SER 12 -10.403 3.769 -14.783 70 H ARG 13 H ARG 13 -8.359 2.583 -14.246 71 HA ARG 13 HA ARG 13 -6.651 0.706 -13.153 72 HB2 ARG 13 2HB ARG 13 -5.976 2.410 -14.732 73 HB3 ARG 13 1HB ARG 13 -6.445 3.671 -13.603 74 HG2 ARG 13 2HG ARG 13 -4.168 3.469 -13.625 75 HG3 ARG 13 1HG ARG 13 -4.755 2.873 -12.055 76 HD2 ARG 13 2HD ARG 13 -2.960 1.424 -12.913 77 HD3 ARG 13 1HD ARG 13 -4.485 0.534 -12.879 78 HE ARG 13 HE ARG 13 -3.505 1.875 -15.294 79 HH11 ARG 13 1HH1 ARG 13 -4.520 -1.121 -13.704 80 HH12 ARG 13 2HH1 ARG 13 -4.600 -2.043 -15.155 81 HH21 ARG 13 1HH2 ARG 13 -3.502 0.618 -17.206 82 HH22 ARG 13 2HH2 ARG 13 -3.943 -1.027 -17.236 83 H ILE 14 H ILE 14 -7.755 3.877 -12.016 84 HA ILE 14 HA ILE 14 -7.225 3.055 -9.247 85 HB ILE 14 HB ILE 14 -7.709 5.804 -10.387 86 HG12 ILE 14 2HG1 ILE 14 -5.069 4.552 -9.573 87 HG13 ILE 14 1HG1 ILE 14 -5.603 4.778 -11.233 88 HG21 ILE 14 1HG2 ILE 14 -8.284 5.625 -7.989 89 HG22 ILE 14 2HG2 ILE 14 -6.848 6.611 -8.186 90 HG23 ILE 14 3HG2 ILE 14 -6.706 4.947 -7.642 91 HD11 ILE 14 3HD1 ILE 14 -5.058 6.986 -9.246 92 HD12 ILE 14 1HD1 ILE 14 -5.553 7.179 -10.931 93 HD13 ILE 14 2HD1 ILE 14 -3.999 6.458 -10.557 94 H THR 15 H THR 15 -8.899 2.560 -8.166 95 HA THR 15 HA THR 15 -11.491 3.724 -8.865 96 HB THR 15 HB THR 15 -10.957 0.871 -7.983 97 HG1 THR 15 1HG THR 15 -10.329 1.364 -10.114 98 HG21 THR 15 3HG2 THR 15 -13.143 1.720 -7.238 99 HG22 THR 15 1HG2 THR 15 -13.325 0.512 -8.507 100 HG23 THR 15 2HG2 THR 15 -13.514 2.222 -8.893 101 H TYR 16 H TYR 16 -12.665 4.430 -7.136 102 HA TYR 16 HA TYR 16 -11.178 4.507 -4.619 103 HB2 TYR 16 2HB TYR 16 -13.465 6.242 -5.552 104 HB3 TYR 16 1HB TYR 16 -12.492 6.490 -4.105 105 HD1 TYR 16 2HD TYR 16 -10.193 7.354 -4.289 106 HD2 TYR 16 1HD TYR 16 -12.604 6.759 -7.738 107 HE1 TYR 16 2HE TYR 16 -8.623 8.704 -5.625 108 HE2 TYR 16 1HE TYR 16 -11.050 8.099 -9.075 109 HH TYR 16 HH TYR 16 -9.413 9.784 -8.769 110 H VAL 17 H VAL 17 -11.935 3.636 -2.822 111 HA VAL 17 HA VAL 17 -14.733 2.735 -2.711 112 HB VAL 17 HB VAL 17 -12.334 1.194 -1.635 113 HG11 VAL 17 1HG1 VAL 17 -13.928 -0.586 -1.097 114 HG12 VAL 17 2HG1 VAL 17 -15.256 0.429 -1.649 115 HG13 VAL 17 3HG1 VAL 17 -14.312 0.901 -0.234 116 HG21 VAL 17 3HG2 VAL 17 -12.854 -0.499 -3.284 117 HG22 VAL 17 1HG2 VAL 17 -12.474 1.038 -4.054 118 HG23 VAL 17 2HG2 VAL 17 -14.161 0.502 -3.928 119 H LYS 18 H LYS 18 -15.705 3.114 -0.708 120 HA LYS 18 HA LYS 18 -13.984 4.279 1.326 121 HB2 LYS 18 2HB LYS 18 -15.986 5.417 2.143 122 HB3 LYS 18 1HB LYS 18 -15.553 5.931 0.520 123 HG2 LYS 18 2HG LYS 18 -17.341 4.470 -0.371 124 HG3 LYS 18 1HG LYS 18 -17.788 4.040 1.281 125 HD2 LYS 18 2HD LYS 18 -17.846 6.813 0.081 126 HD3 LYS 18 1HD LYS 18 -19.247 5.788 0.393 127 HE2 LYS 18 2HE LYS 18 -18.753 5.837 2.790 128 HE3 LYS 18 1HE LYS 18 -17.340 6.840 2.482 129 HZ1 LYS 18 3HZ LYS 18 -19.135 8.169 3.200 130 HZ2 LYS 18 1HZ LYS 18 -20.164 7.594 1.999 131 HZ3 LYS 18 2HZ LYS 18 -18.823 8.555 1.605 132 H GLY 19 H GLY 19 -13.960 3.300 3.308 133 HA2 GLY 19 2HA GLY 19 -15.825 1.962 4.640 134 HA3 GLY 19 1HA GLY 19 -15.330 0.768 3.447 135 H ASP 20 H ASP 20 -14.095 -0.660 4.429 136 HA ASP 20 HA ASP 20 -12.158 0.292 6.436 137 HB2 ASP 20 2HB ASP 20 -13.941 -1.326 7.202 138 HB3 ASP 20 1HB ASP 20 -13.257 -2.497 6.089 139 H LEU 21 H LEU 21 -10.019 -0.462 6.300 140 HA LEU 21 HA LEU 21 -9.392 -1.553 3.664 141 HB2 LEU 21 2HB LEU 21 -8.675 0.714 4.083 142 HB3 LEU 21 1HB LEU 21 -7.700 0.177 5.427 143 HG LEU 21 HG LEU 21 -6.108 -0.865 4.012 144 HD11 LEU 21 1HD1 LEU 21 -6.447 -1.092 1.576 145 HD12 LEU 21 2HD1 LEU 21 -8.058 -0.390 1.731 146 HD13 LEU 21 3HD1 LEU 21 -7.703 -1.966 2.447 147 HD21 LEU 21 3HD2 LEU 21 -7.150 1.557 2.699 148 HD22 LEU 21 1HD2 LEU 21 -5.501 0.957 2.489 149 HD23 LEU 21 2HD2 LEU 21 -6.048 1.543 4.081 150 H PHE 22 H PHE 22 -9.564 -2.540 6.783 151 HA PHE 22 HA PHE 22 -7.345 -4.422 6.529 152 HB2 PHE 22 2HB PHE 22 -9.143 -3.712 8.844 153 HB3 PHE 22 1HB PHE 22 -8.211 -5.201 8.865 154 HD1 PHE 22 1HD PHE 22 -5.682 -4.980 8.594 155 HD2 PHE 22 2HD PHE 22 -8.182 -1.664 9.631 156 HE1 PHE 22 1HE PHE 22 -3.748 -3.791 9.530 157 HE2 PHE 22 2HE PHE 22 -6.242 -0.503 10.543 158 HZ PHE 22 HZ PHE 22 -4.029 -1.556 10.497 159 H ALA 23 H ALA 23 -10.749 -4.175 6.268 160 HA ALA 23 HA ALA 23 -11.214 -7.036 6.172 161 HB1 ALA 23 1HB ALA 23 -12.873 -5.523 7.168 162 HB2 ALA 23 2HB ALA 23 -13.546 -6.414 5.801 163 HB3 ALA 23 3HB ALA 23 -13.074 -4.726 5.610 164 H CYS 24 H CYS 24 -9.542 -5.494 4.139 165 HA CYS 24 HA CYS 24 -10.943 -5.797 1.657 166 HB2 CYS 24 2HB CYS 24 -8.713 -5.203 0.676 167 HB3 CYS 24 1HB CYS 24 -9.280 -4.044 1.869 168 HG CYS 24 HG CYS 24 -7.205 -4.141 3.378 169 HA PRO 25 HA PRO 25 -9.908 -10.085 0.873 170 HB2 PRO 25 2HB PRO 25 -9.216 -9.446 -1.915 171 HB3 PRO 25 1HB PRO 25 -10.546 -10.430 -1.303 172 HG2 PRO 25 2HG PRO 25 -10.992 -8.027 -2.405 173 HG3 PRO 25 1HG PRO 25 -11.946 -8.603 -1.027 174 HD2 PRO 25 2HD PRO 25 -9.643 -6.688 -1.067 175 HD3 PRO 25 1HD PRO 25 -11.189 -6.577 -0.193 176 H LYS 26 H LYS 26 -8.106 -11.513 0.584 177 HA LYS 26 HA LYS 26 -5.579 -10.251 0.966 178 HB2 LYS 26 2HB LYS 26 -6.198 -13.180 0.700 179 HB3 LYS 26 1HB LYS 26 -4.607 -12.530 1.062 180 HG2 LYS 26 2HG LYS 26 -5.648 -11.394 3.053 181 HG3 LYS 26 1HG LYS 26 -7.085 -12.362 2.735 182 HD2 LYS 26 2HD LYS 26 -4.328 -13.399 3.225 183 HD3 LYS 26 1HD LYS 26 -5.618 -13.369 4.434 184 HE2 LYS 26 2HE LYS 26 -6.946 -14.870 2.956 185 HE3 LYS 26 1HE LYS 26 -5.586 -14.924 1.840 186 HZ1 LYS 26 3HZ LYS 26 -4.243 -15.950 3.623 187 HZ2 LYS 26 1HZ LYS 26 -5.596 -16.859 3.254 188 HZ3 LYS 26 2HZ LYS 26 -5.586 -15.921 4.636 189 H THR 27 H THR 27 -7.248 -11.076 -1.807 190 HA THR 27 HA THR 27 -5.075 -11.761 -3.495 191 HB THR 27 HB THR 27 -6.804 -11.099 -5.231 192 HG1 THR 27 1HG THR 27 -8.104 -9.683 -3.842 193 HG21 THR 27 3HG2 THR 27 -8.186 -13.109 -4.806 194 HG22 THR 27 1HG2 THR 27 -7.558 -13.179 -3.159 195 HG23 THR 27 2HG2 THR 27 -6.474 -13.432 -4.527 196 H ASP 28 H ASP 28 -6.242 -8.985 -2.094 197 HA ASP 28 HA ASP 28 -5.083 -7.132 -4.049 198 HB2 ASP 28 2HB ASP 28 -6.937 -6.683 -1.699 199 HB3 ASP 28 1HB ASP 28 -6.380 -5.450 -2.823 200 H SER 29 H SER 29 -3.115 -6.536 -3.583 201 HA SER 29 HA SER 29 -2.055 -6.890 -0.930 202 HB2 SER 29 2HB SER 29 -0.818 -5.610 -3.379 203 HB3 SER 29 1HB SER 29 0.025 -6.015 -1.874 204 HG SER 29 HG SER 29 -1.445 -7.986 -3.187 205 H LEU 30 H LEU 30 -0.922 -4.898 0.144 206 HA LEU 30 HA LEU 30 -2.779 -2.642 -0.222 207 HB2 LEU 30 2HB LEU 30 -2.921 -4.397 1.840 208 HB3 LEU 30 1HB LEU 30 -1.712 -3.308 2.453 209 HG LEU 30 HG LEU 30 -4.525 -2.579 1.681 210 HD11 LEU 30 1HD1 LEU 30 -4.450 -3.893 3.651 211 HD12 LEU 30 2HD1 LEU 30 -4.811 -2.222 4.083 212 HD13 LEU 30 3HD1 LEU 30 -3.190 -2.859 4.334 213 HD21 LEU 30 3HD2 LEU 30 -2.344 -0.875 2.887 214 HD22 LEU 30 1HD2 LEU 30 -4.038 -0.407 2.733 215 HD23 LEU 30 2HD2 LEU 30 -3.073 -0.701 1.285 216 H ALA 31 H ALA 31 -1.776 -0.704 -0.075 217 HA ALA 31 HA ALA 31 1.089 -0.640 0.599 218 HB1 ALA 31 1HB ALA 31 -0.203 0.713 -1.769 219 HB2 ALA 31 2HB ALA 31 0.882 -0.674 -1.818 220 HB3 ALA 31 3HB ALA 31 1.484 0.894 -1.272 221 H HIS 32 H HIS 32 1.858 1.494 1.155 222 HA HIS 32 HA HIS 32 -0.124 3.512 1.917 223 HB2 HIS 32 2HB HIS 32 1.885 2.418 3.892 224 HB3 HIS 32 1HB HIS 32 0.606 3.602 4.154 225 HD1 HIS 32 1HD HIS 32 1.345 0.016 4.252 226 HD2 HIS 32 2HD HIS 32 -2.006 2.450 4.263 227 HE1 HIS 32 1HE HIS 32 -0.521 -1.440 5.041 228 HE2 HIS 32 2HE HIS 32 -2.568 -0.018 4.758 229 H CYS 33 H CYS 33 1.205 5.465 2.750 230 HA CYS 33 HA CYS 33 3.908 5.372 1.632 231 HB2 CYS 33 2HB CYS 33 3.695 7.827 1.360 232 HB3 CYS 33 1HB CYS 33 2.471 6.962 0.434 233 HG CYS 33 HG CYS 33 1.736 8.106 3.519 234 H ILE 34 H ILE 34 5.563 5.845 3.015 235 HA ILE 34 HA ILE 34 4.970 6.997 5.612 236 HB ILE 34 HB ILE 34 6.177 5.269 6.892 237 HG12 ILE 34 2HG1 ILE 34 6.292 3.655 4.364 238 HG13 ILE 34 1HG1 ILE 34 7.628 4.628 4.959 239 HG21 ILE 34 1HG2 ILE 34 3.810 5.009 6.740 240 HG22 ILE 34 2HG2 ILE 34 4.626 3.455 6.827 241 HG23 ILE 34 3HG2 ILE 34 3.990 4.037 5.281 242 HD11 ILE 34 3HD1 ILE 34 6.355 2.353 6.459 243 HD12 ILE 34 1HD1 ILE 34 7.724 3.339 6.996 244 HD13 ILE 34 2HD1 ILE 34 7.890 2.291 5.588 245 H SER 35 H SER 35 7.108 7.212 6.835 246 HA SER 35 HA SER 35 8.967 8.433 5.003 247 HB2 SER 35 2HB SER 35 9.835 9.424 7.154 248 HB3 SER 35 1HB SER 35 8.197 9.870 6.699 249 HG SER 35 HG SER 35 7.477 8.995 8.399 250 H GLU 36 H GLU 36 11.195 7.996 5.027 251 HA GLU 36 HA GLU 36 11.947 5.298 5.378 252 HB2 GLU 36 2HB GLU 36 14.319 6.157 5.011 253 HB3 GLU 36 1HB GLU 36 13.190 6.422 3.685 254 HG2 GLU 36 2HG GLU 36 13.014 8.687 4.347 255 HG3 GLU 36 1HG GLU 36 14.078 8.403 5.754 256 H ASP 37 H ASP 37 11.980 7.840 7.574 257 HA ASP 37 HA ASP 37 13.939 6.550 9.314 258 HB2 ASP 37 2HB ASP 37 13.972 8.996 9.053 259 HB3 ASP 37 1HB ASP 37 12.321 9.088 9.636 260 H CYS 38 H CYS 38 10.746 6.202 8.617 261 HA CYS 38 HA CYS 38 8.903 5.521 9.590 262 HB2 CYS 38 2HB CYS 38 10.867 3.709 10.988 263 HB3 CYS 38 1HB CYS 38 9.124 3.459 10.991 264 HG CYS 38 HG CYS 38 10.106 3.875 7.897 265 H ARG 39 H ARG 39 8.792 7.641 10.475 266 HA ARG 39 HA ARG 39 8.995 7.961 13.292 267 HB2 ARG 39 2HB ARG 39 7.665 9.558 11.134 268 HB3 ARG 39 1HB ARG 39 7.594 10.034 12.826 269 HG2 ARG 39 2HG ARG 39 10.145 9.593 11.301 270 HG3 ARG 39 1HG ARG 39 9.384 11.168 11.516 271 HD2 ARG 39 2HD ARG 39 9.549 10.884 13.967 272 HD3 ARG 39 1HD ARG 39 10.307 9.328 13.723 273 HE ARG 39 HE ARG 39 12.152 10.415 12.731 274 HH11 ARG 39 1HH1 ARG 39 9.895 12.541 14.452 275 HH12 ARG 39 2HH1 ARG 39 11.053 13.654 14.978 276 HH21 ARG 39 1HH2 ARG 39 13.810 11.971 13.457 277 HH22 ARG 39 2HH2 ARG 39 13.383 13.308 14.396 278 H MET 40 H MET 40 6.305 7.370 11.094 279 HA MET 40 HA MET 40 4.228 6.524 11.364 280 HB2 MET 40 2HB MET 40 5.452 5.176 13.828 281 HB3 MET 40 1HB MET 40 3.924 4.755 13.043 282 HG2 MET 40 2HG MET 40 6.608 4.603 11.840 283 HG3 MET 40 1HG MET 40 5.671 3.275 12.533 284 HE1 MET 40 3HE MET 40 5.427 2.393 8.895 285 HE2 MET 40 1HE MET 40 5.725 1.962 10.614 286 HE3 MET 40 2HE MET 40 6.788 3.117 9.808 287 H GLY 41 H GLY 41 2.682 6.012 13.673 288 HA2 GLY 41 2HA GLY 41 1.563 7.022 15.424 289 HA3 GLY 41 1HA GLY 41 2.748 8.318 15.388 290 H ALA 42 H ALA 42 1.447 7.755 12.334 291 HA ALA 42 HA ALA 42 -0.813 9.510 12.689 292 HB1 ALA 42 1HB ALA 42 1.485 10.213 10.858 293 HB2 ALA 42 2HB ALA 42 1.068 11.059 12.345 294 HB3 ALA 42 3HB ALA 42 -0.043 11.085 10.973 295 H GLY 43 H GLY 43 -2.169 9.558 10.843 296 HA2 GLY 43 2HA GLY 43 -3.218 8.710 9.010 297 HA3 GLY 43 1HA GLY 43 -1.643 8.170 8.455 298 H ILE 44 H ILE 44 -2.753 6.366 7.631 299 HA ILE 44 HA ILE 44 -3.938 4.453 9.439 300 HB ILE 44 HB ILE 44 -4.749 4.705 7.133 301 HG12 ILE 44 2HG1 ILE 44 -3.522 1.963 7.398 302 HG13 ILE 44 1HG1 ILE 44 -4.937 2.451 8.342 303 HG21 ILE 44 1HG2 ILE 44 -2.050 3.641 6.350 304 HG22 ILE 44 2HG2 ILE 44 -2.699 5.247 5.998 305 HG23 ILE 44 3HG2 ILE 44 -3.451 3.819 5.287 306 HD11 ILE 44 3HD1 ILE 44 -5.540 1.168 6.427 307 HD12 ILE 44 1HD1 ILE 44 -4.661 2.303 5.378 308 HD13 ILE 44 2HD1 ILE 44 -6.089 2.844 6.261 309 H ALA 45 H ALA 45 -0.803 5.269 8.564 310 HA ALA 45 HA ALA 45 0.441 2.724 8.535 311 HB1 ALA 45 1HB ALA 45 1.522 4.724 7.601 312 HB2 ALA 45 2HB ALA 45 2.530 3.910 8.793 313 HB3 ALA 45 3HB ALA 45 1.666 5.386 9.234 314 H VAL 46 H VAL 46 -0.473 4.916 11.084 315 HA VAL 46 HA VAL 46 1.082 3.726 13.103 316 HB VAL 46 HB VAL 46 0.024 5.939 13.348 317 HG11 VAL 46 1HG1 VAL 46 -2.559 4.470 13.722 318 HG12 VAL 46 2HG1 VAL 46 -2.137 5.578 12.413 319 HG13 VAL 46 3HG1 VAL 46 -2.283 6.180 14.064 320 HG21 VAL 46 3HG2 VAL 46 -0.601 5.747 15.709 321 HG22 VAL 46 1HG2 VAL 46 0.856 4.839 15.315 322 HG23 VAL 46 2HG2 VAL 46 -0.675 3.991 15.525 323 H LEU 47 H LEU 47 -2.081 3.092 11.900 324 HA LEU 47 HA LEU 47 -2.944 1.074 13.660 325 HB2 LEU 47 2HB LEU 47 -3.525 1.520 10.737 326 HB3 LEU 47 1HB LEU 47 -4.293 0.254 11.674 327 HG LEU 47 HG LEU 47 -4.518 3.180 12.419 328 HD11 LEU 47 1HD1 LEU 47 -5.472 2.836 10.190 329 HD12 LEU 47 2HD1 LEU 47 -6.737 3.092 11.384 330 HD13 LEU 47 3HD1 LEU 47 -6.413 1.466 10.786 331 HD21 LEU 47 3HD2 LEU 47 -6.127 0.740 13.122 332 HD22 LEU 47 1HD2 LEU 47 -6.437 2.377 13.685 333 HD23 LEU 47 2HD2 LEU 47 -4.968 1.536 14.198 334 H PHE 48 H PHE 48 -0.948 0.874 10.753 335 HA PHE 48 HA PHE 48 -0.829 -1.971 10.944 336 HB2 PHE 48 2HB PHE 48 0.510 -0.008 9.110 337 HB3 PHE 48 1HB PHE 48 0.928 -1.719 9.092 338 HD1 PHE 48 2HD PHE 48 -2.086 0.489 8.939 339 HD2 PHE 48 1HD PHE 48 -0.222 -3.116 7.675 340 HE1 PHE 48 2HE PHE 48 -3.998 0.008 7.476 341 HE2 PHE 48 1HE PHE 48 -2.148 -3.591 6.204 342 HZ PHE 48 HZ PHE 48 -4.031 -2.019 6.121 343 H LYS 49 H LYS 49 1.233 0.648 11.994 344 HA LYS 49 HA LYS 49 3.399 -1.116 12.556 345 HB2 LYS 49 2HB LYS 49 4.551 0.717 13.560 346 HB3 LYS 49 1HB LYS 49 3.662 1.372 12.202 347 HG2 LYS 49 2HG LYS 49 3.421 3.006 13.847 348 HG3 LYS 49 1HG LYS 49 1.930 2.072 14.010 349 HD2 LYS 49 2HD LYS 49 2.857 0.850 15.880 350 HD3 LYS 49 1HD LYS 49 4.406 1.662 15.695 351 HE2 LYS 49 2HE LYS 49 3.306 3.829 16.200 352 HE3 LYS 49 1HE LYS 49 1.782 2.980 16.437 353 HZ1 LYS 49 3HZ LYS 49 2.848 3.398 18.563 354 HZ2 LYS 49 1HZ LYS 49 4.251 2.634 18.056 355 HZ3 LYS 49 2HZ LYS 49 2.840 1.747 18.280 356 H LYS 50 H LYS 50 0.636 -0.044 14.312 357 HA LYS 50 HA LYS 50 1.421 -1.231 16.750 358 HB2 LYS 50 2HB LYS 50 -1.263 -0.408 15.781 359 HB3 LYS 50 1HB LYS 50 -0.925 -0.996 17.410 360 HG2 LYS 50 2HG LYS 50 0.774 0.831 17.615 361 HG3 LYS 50 1HG LYS 50 0.148 1.474 16.098 362 HD2 LYS 50 2HD LYS 50 -1.391 0.932 18.555 363 HD3 LYS 50 1HD LYS 50 -0.820 2.539 18.057 364 HE2 LYS 50 2HE LYS 50 -2.176 2.324 15.999 365 HE3 LYS 50 1HE LYS 50 -2.722 0.749 16.563 366 HZ1 LYS 50 3HZ LYS 50 -3.269 3.329 17.970 367 HZ2 LYS 50 1HZ LYS 50 -3.816 1.812 18.444 368 HZ3 LYS 50 2HZ LYS 50 -4.384 2.511 17.025 369 H LYS 51 H LYS 51 -0.807 -2.282 14.162 370 HA LYS 51 HA LYS 51 -1.467 -4.654 15.502 371 HB2 LYS 51 2HB LYS 51 -1.963 -3.793 12.694 372 HB3 LYS 51 1HB LYS 51 -2.563 -5.292 13.384 373 HG2 LYS 51 2HG LYS 51 -3.737 -3.979 15.117 374 HG3 LYS 51 1HG LYS 51 -3.187 -2.506 14.314 375 HD2 LYS 51 2HD LYS 51 -4.272 -3.174 12.298 376 HD3 LYS 51 1HD LYS 51 -4.840 -4.665 13.050 377 HE2 LYS 51 2HE LYS 51 -5.588 -1.858 13.893 378 HE3 LYS 51 1HE LYS 51 -6.625 -2.968 13.010 379 HZ1 LYS 51 3HZ LYS 51 -6.472 -4.495 14.911 380 HZ2 LYS 51 1HZ LYS 51 -7.217 -3.045 15.307 381 HZ3 LYS 51 2HZ LYS 51 -5.615 -3.344 15.782 382 H PHE 52 H PHE 52 0.773 -4.056 12.781 383 HA PHE 52 HA PHE 52 1.362 -6.914 12.904 384 HB2 PHE 52 2HB PHE 52 2.176 -4.896 10.808 385 HB3 PHE 52 1HB PHE 52 2.585 -6.605 10.772 386 HD1 PHE 52 2HD PHE 52 0.385 -8.153 11.169 387 HD2 PHE 52 1HD PHE 52 0.446 -4.262 9.448 388 HE1 PHE 52 2HE PHE 52 -1.721 -8.639 9.998 389 HE2 PHE 52 1HE PHE 52 -1.651 -4.739 8.280 390 HZ PHE 52 HZ PHE 52 -2.748 -6.930 8.553 391 H GLY 53 H GLY 53 2.689 -3.895 13.739 392 HA2 GLY 53 2HA GLY 53 4.662 -3.298 14.760 393 HA3 GLY 53 1HA GLY 53 4.708 -4.957 15.344 394 H GLY 54 H GLY 54 5.125 -3.363 12.193 395 HA2 GLY 54 2HA GLY 54 7.498 -5.073 11.830 396 HA3 GLY 54 1HA GLY 54 6.468 -4.519 10.525 397 H VAL 55 H VAL 55 7.620 -2.491 13.197 398 HA VAL 55 HA VAL 55 8.452 -0.479 11.400 399 HB VAL 55 HB VAL 55 9.123 -0.794 14.347 400 HG11 VAL 55 1HG1 VAL 55 9.516 1.625 14.318 401 HG12 VAL 55 2HG1 VAL 55 9.238 1.638 12.573 402 HG13 VAL 55 3HG1 VAL 55 10.620 0.762 13.242 403 HG21 VAL 55 3HG2 VAL 55 7.261 0.755 14.736 404 HG22 VAL 55 1HG2 VAL 55 6.714 -0.729 13.958 405 HG23 VAL 55 2HG2 VAL 55 6.896 0.749 13.012 406 H GLN 56 H GLN 56 10.255 -2.891 13.325 407 HA GLN 56 HA GLN 56 12.800 -2.055 12.399 408 HB2 GLN 56 2HB GLN 56 11.812 -4.565 13.735 409 HB3 GLN 56 1HB GLN 56 13.467 -4.323 13.242 410 HG2 GLN 56 2HG GLN 56 13.115 -3.946 15.646 411 HG3 GLN 56 1HG GLN 56 13.713 -2.512 14.828 412 HE21 GLN 56 1HE2 GLN 56 12.438 -0.700 14.761 413 HE22 GLN 56 2HE2 GLN 56 10.977 -0.545 15.656 414 H GLU 57 H GLU 57 10.415 -4.345 11.360 415 HA GLU 57 HA GLU 57 12.024 -5.688 9.489 416 HB2 GLU 57 2HB GLU 57 9.048 -5.209 9.367 417 HB3 GLU 57 1HB GLU 57 9.924 -6.333 8.343 418 HG2 GLU 57 2HG GLU 57 10.621 -7.549 10.401 419 HG3 GLU 57 1HG GLU 57 9.557 -6.480 11.321 420 H LEU 58 H LEU 58 10.246 -2.706 9.241 421 HA LEU 58 HA LEU 58 10.676 -2.366 6.444 422 HB2 LEU 58 2HB LEU 58 10.016 -0.334 8.566 423 HB3 LEU 58 1HB LEU 58 9.920 -0.065 6.837 424 HG LEU 58 HG LEU 58 8.249 -2.026 8.398 425 HD11 LEU 58 1HD1 LEU 58 7.633 0.265 8.880 426 HD12 LEU 58 2HD1 LEU 58 6.397 -0.517 7.893 427 HD13 LEU 58 3HD1 LEU 58 7.531 0.612 7.156 428 HD21 LEU 58 3HD2 LEU 58 8.169 -1.243 5.491 429 HD22 LEU 58 1HD2 LEU 58 6.987 -2.264 6.310 430 HD23 LEU 58 2HD2 LEU 58 8.655 -2.810 6.138 431 H LEU 59 H LEU 59 12.238 -1.098 9.347 432 HA LEU 59 HA LEU 59 14.157 0.386 7.900 433 HB2 LEU 59 2HB LEU 59 14.131 -0.489 10.774 434 HB3 LEU 59 1HB LEU 59 15.353 0.563 10.089 435 HG LEU 59 HG LEU 59 12.400 1.193 10.274 436 HD11 LEU 59 1HD1 LEU 59 13.485 1.268 12.433 437 HD12 LEU 59 2HD1 LEU 59 13.109 2.904 11.864 438 HD13 LEU 59 3HD1 LEU 59 14.759 2.301 11.780 439 HD21 LEU 59 3HD2 LEU 59 14.707 2.866 9.273 440 HD22 LEU 59 1HD2 LEU 59 13.058 3.433 9.527 441 HD23 LEU 59 2HD2 LEU 59 13.378 2.215 8.304 442 H ASN 60 H ASN 60 14.274 -2.877 9.281 443 HA ASN 60 HA ASN 60 16.991 -3.303 8.690 444 HB2 ASN 60 2HB ASN 60 14.730 -5.285 8.987 445 HB3 ASN 60 1HB ASN 60 16.412 -5.753 8.770 446 HD21 ASN 60 1HD2 ASN 60 14.525 -6.136 11.014 447 HD22 ASN 60 2HD2 ASN 60 15.327 -5.496 12.397 448 H GLN 61 H GLN 61 14.185 -3.432 6.652 449 HA GLN 61 HA GLN 61 15.582 -4.653 4.457 450 HB2 GLN 61 2HB GLN 61 12.962 -3.162 4.586 451 HB3 GLN 61 1HB GLN 61 13.613 -3.815 3.092 452 HG2 GLN 61 2HG GLN 61 13.527 -6.058 4.035 453 HG3 GLN 61 1HG GLN 61 12.897 -5.407 5.545 454 HE21 GLN 61 1HE2 GLN 61 10.807 -4.663 5.608 455 HE22 GLN 61 2HE2 GLN 61 9.634 -5.066 4.386 456 H GLN 62 H GLN 62 15.608 -1.561 5.880 457 HA GLN 62 HA GLN 62 15.941 0.412 5.337 458 HB2 GLN 62 2HB GLN 62 18.135 -0.706 5.738 459 HB3 GLN 62 1HB GLN 62 18.383 -0.654 3.988 460 HG2 GLN 62 2HG GLN 62 17.947 1.740 4.042 461 HG3 GLN 62 1HG GLN 62 17.806 1.542 5.801 462 HE21 GLN 62 1HE2 GLN 62 19.658 1.336 7.039 463 HE22 GLN 62 2HE2 GLN 62 21.248 1.540 6.391 464 H LYS 63 H LYS 63 14.221 0.817 3.995 465 HA LYS 63 HA LYS 63 15.013 1.257 1.238 466 HB2 LYS 63 2HB LYS 63 12.325 0.976 2.549 467 HB3 LYS 63 1HB LYS 63 12.562 1.406 0.856 468 HG2 LYS 63 2HG LYS 63 13.849 -0.950 2.011 469 HG3 LYS 63 1HG LYS 63 12.153 -1.072 1.476 470 HD2 LYS 63 2HD LYS 63 12.900 -0.393 -0.775 471 HD3 LYS 63 1HD LYS 63 14.556 -0.213 -0.193 472 HE2 LYS 63 2HE LYS 63 12.994 -2.796 -0.180 473 HE3 LYS 63 1HE LYS 63 14.112 -2.330 -1.460 474 HZ1 LYS 63 3HZ LYS 63 14.881 -2.741 1.408 475 HZ2 LYS 63 1HZ LYS 63 15.892 -2.304 0.142 476 HZ3 LYS 63 2HZ LYS 63 15.161 -3.794 0.125 477 H LYS 64 H LYS 64 15.166 3.178 0.574 478 HA LYS 64 HA LYS 64 14.580 5.353 2.463 479 HB2 LYS 64 2HB LYS 64 16.481 5.273 0.162 480 HB3 LYS 64 1HB LYS 64 16.204 6.684 1.165 481 HG2 LYS 64 2HG LYS 64 17.384 4.051 2.068 482 HG3 LYS 64 1HG LYS 64 18.251 5.579 1.873 483 HD2 LYS 64 2HD LYS 64 16.806 6.576 3.601 484 HD3 LYS 64 1HD LYS 64 16.014 5.019 3.802 485 HE2 LYS 64 2HE LYS 64 18.158 4.042 4.475 486 HE3 LYS 64 1HE LYS 64 18.909 5.631 4.316 487 HZ1 LYS 64 3HZ LYS 64 17.381 6.470 5.993 488 HZ2 LYS 64 1HZ LYS 64 18.314 5.209 6.599 489 HZ3 LYS 64 2HZ LYS 64 16.702 4.929 6.165 490 H SER 65 H SER 65 14.241 7.498 1.308 491 HA SER 65 HA SER 65 11.795 7.359 0.070 492 HB2 SER 65 2HB SER 65 12.281 9.813 -0.495 493 HB3 SER 65 1HB SER 65 12.298 9.336 1.201 494 HG SER 65 HG SER 65 14.441 9.388 1.239 495 H GLY 66 H GLY 66 11.208 6.612 -1.740 496 HA2 GLY 66 2HA GLY 66 11.232 6.905 -4.174 497 HA3 GLY 66 1HA GLY 66 12.991 6.878 -4.075 498 H GLU 67 H GLU 67 12.209 4.709 -1.828 499 HA GLU 67 HA GLU 67 12.079 2.458 -3.682 500 HB2 GLU 67 2HB GLU 67 13.386 2.652 -0.963 501 HB3 GLU 67 1HB GLU 67 13.314 1.207 -1.959 502 HG2 GLU 67 2HG GLU 67 14.678 2.296 -3.647 503 HG3 GLU 67 1HG GLU 67 14.748 3.758 -2.658 504 H VAL 68 H VAL 68 11.057 0.540 -2.661 505 HA VAL 68 HA VAL 68 8.965 1.374 -0.778 506 HB VAL 68 HB VAL 68 8.081 1.011 -3.104 507 HG11 VAL 68 1HG1 VAL 68 9.521 -0.814 -3.810 508 HG12 VAL 68 2HG1 VAL 68 7.813 -1.228 -3.993 509 HG13 VAL 68 3HG1 VAL 68 8.751 -1.884 -2.646 510 HG21 VAL 68 3HG2 VAL 68 6.182 -0.318 -2.490 511 HG22 VAL 68 1HG2 VAL 68 6.625 0.801 -1.184 512 HG23 VAL 68 2HG2 VAL 68 7.032 -0.918 -1.064 513 H ALA 69 H ALA 69 8.653 0.153 0.952 514 HA ALA 69 HA ALA 69 10.302 -2.258 1.284 515 HB1 ALA 69 1HB ALA 69 10.536 -0.540 3.029 516 HB2 ALA 69 2HB ALA 69 9.813 -2.004 3.697 517 HB3 ALA 69 3HB ALA 69 8.802 -0.607 3.333 518 H VAL 70 H VAL 70 9.308 -4.269 1.933 519 HA VAL 70 HA VAL 70 6.391 -4.258 1.583 520 HB VAL 70 HB VAL 70 8.218 -6.329 0.349 521 HG11 VAL 70 1HG1 VAL 70 5.267 -5.888 0.050 522 HG12 VAL 70 2HG1 VAL 70 6.061 -7.215 0.901 523 HG13 VAL 70 3HG1 VAL 70 6.228 -7.065 -0.851 524 HG21 VAL 70 3HG2 VAL 70 6.763 -4.090 -1.058 525 HG22 VAL 70 1HG2 VAL 70 7.664 -5.386 -1.843 526 HG23 VAL 70 2HG2 VAL 70 8.511 -4.206 -0.838 527 H LEU 71 H LEU 71 5.305 -5.605 2.886 528 HA LEU 71 HA LEU 71 6.835 -7.476 4.583 529 HB2 LEU 71 2HB LEU 71 4.268 -6.034 5.293 530 HB3 LEU 71 1HB LEU 71 5.077 -7.194 6.295 531 HG LEU 71 HG LEU 71 6.150 -4.472 5.551 532 HD11 LEU 71 1HD1 LEU 71 5.856 -3.973 7.921 533 HD12 LEU 71 2HD1 LEU 71 5.163 -5.573 8.176 534 HD13 LEU 71 3HD1 LEU 71 4.319 -4.403 7.166 535 HD21 LEU 71 3HD2 LEU 71 7.972 -6.089 5.774 536 HD22 LEU 71 1HD2 LEU 71 7.339 -6.600 7.340 537 HD23 LEU 71 2HD2 LEU 71 7.958 -4.966 7.130 538 H LYS 72 H LYS 72 6.316 -9.564 4.250 539 HA LYS 72 HA LYS 72 3.787 -10.142 2.899 540 HB2 LYS 72 2HB LYS 72 5.771 -11.110 1.898 541 HB3 LYS 72 1HB LYS 72 6.146 -11.927 3.430 542 HG2 LYS 72 2HG LYS 72 4.052 -13.233 3.186 543 HG3 LYS 72 1HG LYS 72 3.766 -12.446 1.635 544 HD2 LYS 72 2HD LYS 72 5.855 -13.393 0.766 545 HD3 LYS 72 1HD LYS 72 6.159 -14.165 2.319 546 HE2 LYS 72 2HE LYS 72 5.254 -15.789 0.762 547 HE3 LYS 72 1HE LYS 72 4.085 -15.479 2.036 548 HZ1 LYS 72 3HZ LYS 72 3.968 -14.271 -0.699 549 HZ2 LYS 72 1HZ LYS 72 2.792 -14.131 0.519 550 HZ3 LYS 72 2HZ LYS 72 3.124 -15.609 -0.177 551 H ARG 73 H ARG 73 2.246 -10.871 3.965 552 HA ARG 73 HA ARG 73 2.701 -11.730 6.750 553 HB2 ARG 73 2HB ARG 73 0.151 -10.739 5.457 554 HB3 ARG 73 1HB ARG 73 0.290 -11.259 7.128 555 HG2 ARG 73 2HG ARG 73 1.729 -8.917 5.885 556 HG3 ARG 73 1HG ARG 73 0.326 -8.822 6.951 557 HD2 ARG 73 2HD ARG 73 3.064 -9.901 7.676 558 HD3 ARG 73 1HD ARG 73 2.366 -8.369 8.199 559 HE ARG 73 HE ARG 73 0.619 -10.410 8.917 560 HH11 ARG 73 1HH1 ARG 73 3.844 -9.239 9.860 561 HH12 ARG 73 2HH1 ARG 73 3.734 -9.859 11.434 562 HH21 ARG 73 1HH2 ARG 73 0.483 -11.223 11.021 563 HH22 ARG 73 2HH2 ARG 73 1.774 -11.010 12.134 564 H ASP 74 H ASP 74 0.291 -12.465 4.286 565 HA ASP 74 HA ASP 74 0.987 -15.274 4.488 566 HB2 ASP 74 2HB ASP 74 -0.810 -15.141 6.108 567 HB3 ASP 74 1HB ASP 74 -1.801 -14.196 5.015 568 H GLY 75 H GLY 75 -1.759 -13.557 3.115 569 HA2 GLY 75 2HA GLY 75 -0.943 -14.627 0.525 570 HA3 GLY 75 1HA GLY 75 -2.568 -14.111 0.957 571 H ARG 76 H ARG 76 -1.338 -11.631 2.254 572 HA ARG 76 HA ARG 76 -1.231 -10.226 -0.305 573 HB2 ARG 76 2HB ARG 76 -2.157 -8.325 0.783 574 HB3 ARG 76 1HB ARG 76 -3.123 -9.707 1.270 575 HG2 ARG 76 2HG ARG 76 -1.899 -9.790 3.408 576 HG3 ARG 76 1HG ARG 76 -0.968 -8.386 2.901 577 HD2 ARG 76 2HD ARG 76 -2.675 -7.597 4.305 578 HD3 ARG 76 1HD ARG 76 -3.132 -7.163 2.655 579 HE ARG 76 HE ARG 76 -4.273 -9.329 4.264 580 HH11 ARG 76 1HH1 ARG 76 -4.574 -7.193 1.423 581 HH12 ARG 76 2HH1 ARG 76 -6.232 -7.401 1.294 582 HH21 ARG 76 1HH2 ARG 76 -6.579 -9.565 4.076 583 HH22 ARG 76 2HH2 ARG 76 -7.427 -8.733 2.855 584 H TYR 77 H TYR 77 0.150 -8.400 -0.434 585 HA TYR 77 HA TYR 77 2.445 -8.488 1.363 586 HB2 TYR 77 2HB TYR 77 2.248 -7.624 -1.535 587 HB3 TYR 77 1HB TYR 77 3.680 -7.410 -0.531 588 HD1 TYR 77 1HD TYR 77 5.018 -9.302 0.132 589 HD2 TYR 77 2HD TYR 77 1.617 -9.825 -2.361 590 HE1 TYR 77 1HE TYR 77 5.785 -11.561 -0.430 591 HE2 TYR 77 2HE TYR 77 2.373 -12.090 -2.926 592 HH TYR 77 HH TYR 77 4.486 -13.332 -2.970 593 H ILE 78 H ILE 78 2.927 -6.680 2.443 594 HA ILE 78 HA ILE 78 1.101 -4.417 2.081 595 HB ILE 78 HB ILE 78 3.100 -4.763 4.328 596 HG12 ILE 78 2HG1 ILE 78 1.652 -6.782 4.310 597 HG13 ILE 78 1HG1 ILE 78 1.369 -5.776 5.721 598 HG21 ILE 78 1HG2 ILE 78 0.498 -3.272 4.070 599 HG22 ILE 78 2HG2 ILE 78 2.112 -2.559 4.053 600 HG23 ILE 78 3HG2 ILE 78 1.489 -3.321 5.525 601 HD11 ILE 78 3HD1 ILE 78 -0.634 -4.892 4.675 602 HD12 ILE 78 1HD1 ILE 78 -0.683 -6.651 4.834 603 HD13 ILE 78 2HD1 ILE 78 -0.340 -5.919 3.258 604 H TYR 79 H TYR 79 1.906 -2.722 1.034 605 HA TYR 79 HA TYR 79 4.796 -2.490 0.689 606 HB2 TYR 79 2HB TYR 79 2.533 -1.246 -0.857 607 HB3 TYR 79 1HB TYR 79 4.235 -0.931 -1.149 608 HD1 TYR 79 1HD TYR 79 1.541 -3.394 -1.409 609 HD2 TYR 79 2HD TYR 79 5.610 -2.539 -2.234 610 HE1 TYR 79 1HE TYR 79 1.636 -5.325 -2.909 611 HE2 TYR 79 2HE TYR 79 5.727 -4.459 -3.725 612 HH TYR 79 HH TYR 79 2.951 -6.189 -4.719 613 H TYR 80 H TYR 80 5.848 -0.756 1.217 614 HA TYR 80 HA TYR 80 4.392 1.488 2.358 615 HB2 TYR 80 2HB TYR 80 6.901 0.175 3.388 616 HB3 TYR 80 1HB TYR 80 6.350 1.751 3.936 617 HD1 TYR 80 2HD TYR 80 5.695 -1.846 3.972 618 HD2 TYR 80 1HD TYR 80 4.441 1.950 5.398 619 HE1 TYR 80 2HE TYR 80 4.269 -2.951 5.631 620 HE2 TYR 80 1HE TYR 80 3.004 0.857 7.067 621 HH TYR 80 HH TYR 80 3.239 -2.444 7.783 622 H LEU 81 H LEU 81 4.536 2.866 0.781 623 HA LEU 81 HA LEU 81 6.811 3.193 -0.935 624 HB2 LEU 81 2HB LEU 81 4.465 5.024 -0.405 625 HB3 LEU 81 1HB LEU 81 5.552 5.108 -1.768 626 HG LEU 81 HG LEU 81 3.583 2.883 -1.223 627 HD11 LEU 81 1HD1 LEU 81 2.492 4.955 -1.866 628 HD12 LEU 81 2HD1 LEU 81 2.403 3.766 -3.168 629 HD13 LEU 81 3HD1 LEU 81 3.557 5.095 -3.264 630 HD21 LEU 81 3HD2 LEU 81 5.290 3.362 -3.662 631 HD22 LEU 81 1HD2 LEU 81 4.174 2.047 -3.387 632 HD23 LEU 81 2HD2 LEU 81 5.651 2.160 -2.431 633 H ILE 82 H ILE 82 8.591 4.215 -0.267 634 HA ILE 82 HA ILE 82 8.402 5.879 2.116 635 HB ILE 82 HB ILE 82 10.851 5.151 0.500 636 HG12 ILE 82 2HG1 ILE 82 9.792 3.086 1.379 637 HG13 ILE 82 1HG1 ILE 82 11.328 3.423 2.161 638 HG21 ILE 82 1HG2 ILE 82 12.016 5.778 2.454 639 HG22 ILE 82 2HG2 ILE 82 10.513 6.113 3.332 640 HG23 ILE 82 3HG2 ILE 82 10.996 7.124 1.954 641 HD11 ILE 82 3HD1 ILE 82 10.107 4.308 4.111 642 HD12 ILE 82 1HD1 ILE 82 9.686 2.633 3.759 643 HD13 ILE 82 2HD1 ILE 82 8.588 3.936 3.317 644 H THR 83 H THR 83 7.613 7.716 1.712 645 HA THR 83 HA THR 83 8.040 9.021 -0.770 646 HB THR 83 HB THR 83 6.747 10.878 0.381 647 HG1 THR 83 1HG THR 83 5.554 9.754 2.277 648 HG21 THR 83 3HG2 THR 83 5.693 9.268 -1.131 649 HG22 THR 83 1HG2 THR 83 4.621 9.640 0.216 650 HG23 THR 83 2HG2 THR 83 5.513 8.118 0.194 651 H LYS 84 H LYS 84 8.885 9.743 2.587 652 HA LYS 84 HA LYS 84 11.274 11.135 1.723 653 HB2 LYS 84 2HB LYS 84 9.021 12.583 3.122 654 HB3 LYS 84 1HB LYS 84 10.667 13.181 3.129 655 HG2 LYS 84 2HG LYS 84 8.994 12.728 0.651 656 HG3 LYS 84 1HG LYS 84 9.223 14.290 1.441 657 HD2 LYS 84 2HD LYS 84 11.637 14.137 1.030 658 HD3 LYS 84 1HD LYS 84 11.415 12.572 0.244 659 HE2 LYS 84 2HE LYS 84 10.046 13.657 -1.472 660 HE3 LYS 84 1HE LYS 84 10.275 15.211 -0.672 661 HZ1 LYS 84 3HZ LYS 84 12.503 13.562 -1.783 662 HZ2 LYS 84 1HZ LYS 84 12.631 15.101 -1.138 663 HZ3 LYS 84 2HZ LYS 84 11.796 14.871 -2.565 664 H LYS 85 H LYS 85 12.098 12.318 3.960 665 HA LYS 85 HA LYS 85 12.840 10.057 5.591 666 HB2 LYS 85 2HB LYS 85 13.567 12.960 5.854 667 HB3 LYS 85 1HB LYS 85 14.372 11.609 6.649 668 HG2 LYS 85 2HG LYS 85 14.987 10.719 4.441 669 HG3 LYS 85 1HG LYS 85 14.216 12.125 3.707 670 HD2 LYS 85 2HD LYS 85 15.785 13.593 4.834 671 HD3 LYS 85 1HD LYS 85 16.556 12.188 5.585 672 HE2 LYS 85 2HE LYS 85 17.105 11.311 3.371 673 HE3 LYS 85 1HE LYS 85 16.302 12.714 2.656 674 HZ1 LYS 85 3HZ LYS 85 17.933 14.146 3.587 675 HZ2 LYS 85 1HZ LYS 85 18.717 12.927 2.731 676 HZ3 LYS 85 2HZ LYS 85 18.678 12.849 4.419 677 H ARG 86 H ARG 86 11.198 13.145 6.279 678 HA ARG 86 HA ARG 86 10.532 12.105 8.958 679 HB2 ARG 86 2HB ARG 86 10.077 14.888 7.872 680 HB3 ARG 86 1HB ARG 86 9.918 14.376 9.540 681 HG2 ARG 86 2HG ARG 86 12.462 14.529 7.948 682 HG3 ARG 86 1HG ARG 86 11.943 15.659 9.196 683 HD2 ARG 86 2HD ARG 86 11.988 13.877 10.806 684 HD3 ARG 86 1HD ARG 86 12.541 12.750 9.548 685 HE ARG 86 HE ARG 86 14.145 15.129 9.967 686 HH11 ARG 86 1HH1 ARG 86 13.858 11.639 10.598 687 HH12 ARG 86 2HH1 ARG 86 15.468 11.467 11.107 688 HH21 ARG 86 1HH2 ARG 86 16.351 14.865 10.700 689 HH22 ARG 86 2HH2 ARG 86 16.910 13.331 11.169 690 H ALA 87 H ALA 87 8.331 12.254 9.714 691 HA ALA 87 HA ALA 87 6.404 11.559 7.716 692 HB1 ALA 87 1HB ALA 87 6.337 10.549 9.946 693 HB2 ALA 87 2HB ALA 87 4.832 11.394 9.593 694 HB3 ALA 87 3HB ALA 87 6.023 12.132 10.665 695 H SER 88 H SER 88 7.470 14.431 9.165 696 HA SER 88 HA SER 88 5.107 15.940 8.473 697 HB2 SER 88 2HB SER 88 7.763 16.849 9.584 698 HB3 SER 88 1HB SER 88 6.286 17.814 9.492 699 HG SER 88 HG SER 88 5.391 15.884 10.722 700 H HIS 89 H HIS 89 7.401 14.645 6.628 701 HA HIS 89 HA HIS 89 7.957 16.971 4.982 702 HB2 HIS 89 2HB HIS 89 8.844 14.115 4.811 703 HB3 HIS 89 1HB HIS 89 8.977 15.173 3.431 704 HD1 HIS 89 1HD HIS 89 11.601 14.830 3.559 705 HD2 HIS 89 2HD HIS 89 9.870 16.770 6.770 706 HE1 HIS 89 1HE HIS 89 13.505 15.670 4.830 707 HE2 HIS 89 2HE HIS 89 12.404 17.300 6.427 708 H LYS 90 H LYS 90 7.371 17.140 2.974 709 HA LYS 90 HA LYS 90 4.899 15.706 2.347 710 HB2 LYS 90 2HB LYS 90 5.774 18.452 1.428 711 HB3 LYS 90 1HB LYS 90 4.447 17.593 0.673 712 HG2 LYS 90 2HG LYS 90 3.559 19.171 2.258 713 HG3 LYS 90 1HG LYS 90 3.260 17.541 2.835 714 HD2 LYS 90 2HD LYS 90 3.925 18.904 4.706 715 HD3 LYS 90 1HD LYS 90 5.242 17.793 4.343 716 HE2 LYS 90 2HE LYS 90 6.104 20.008 4.824 717 HE3 LYS 90 1HE LYS 90 6.410 19.593 3.142 718 HZ1 LYS 90 3HZ LYS 90 5.636 21.858 3.381 719 HZ2 LYS 90 1HZ LYS 90 4.220 21.362 4.130 720 HZ3 LYS 90 2HZ LYS 90 4.501 20.986 2.510 721 HA PRO 91 HA PRO 91 6.961 13.384 -0.743 722 HB2 PRO 91 2HB PRO 91 4.754 12.638 -2.191 723 HB3 PRO 91 1HB PRO 91 5.248 11.872 -0.681 724 HG2 PRO 91 2HG PRO 91 3.175 13.976 -1.148 725 HG3 PRO 91 1HG PRO 91 3.106 12.555 -0.090 726 HD2 PRO 91 2HD PRO 91 3.575 15.010 0.868 727 HD3 PRO 91 1HD PRO 91 4.357 13.574 1.565 728 H THR 92 H THR 92 7.632 13.474 -2.903 729 HA THR 92 HA THR 92 6.720 15.773 -4.426 730 HB THR 92 HB THR 92 9.035 15.275 -5.535 731 HG1 THR 92 1HG THR 92 10.444 14.222 -4.300 732 HG21 THR 92 3HG2 THR 92 10.194 16.626 -3.909 733 HG22 THR 92 1HG2 THR 92 8.959 16.275 -2.706 734 HG23 THR 92 2HG2 THR 92 8.559 17.269 -4.129 735 H TYR 93 H TYR 93 6.874 15.339 -6.836 736 HA TYR 93 HA TYR 93 5.390 13.066 -7.462 737 HB2 TYR 93 2HB TYR 93 6.872 14.970 -9.243 738 HB3 TYR 93 1HB TYR 93 5.901 13.648 -9.854 739 HD1 TYR 93 1HD TYR 93 5.781 16.815 -7.974 740 HD2 TYR 93 2HD TYR 93 3.552 13.768 -9.905 741 HE1 TYR 93 1HE TYR 93 3.791 18.217 -7.872 742 HE2 TYR 93 2HE TYR 93 1.558 15.144 -9.816 743 HH TYR 93 HH TYR 93 1.762 18.465 -9.039 744 H GLU 94 H GLU 94 8.844 13.844 -7.924 745 HA GLU 94 HA GLU 94 9.594 11.604 -9.404 746 HB2 GLU 94 2HB GLU 94 11.013 13.584 -9.087 747 HB3 GLU 94 1HB GLU 94 11.183 13.195 -7.382 748 HG2 GLU 94 2HG GLU 94 12.228 11.075 -8.026 749 HG3 GLU 94 1HG GLU 94 12.155 11.596 -9.710 750 H ASN 95 H ASN 95 9.732 12.206 -5.956 751 HA ASN 95 HA ASN 95 10.647 9.721 -5.064 752 HB2 ASN 95 2HB ASN 95 9.234 12.054 -3.944 753 HB3 ASN 95 1HB ASN 95 9.296 10.583 -2.937 754 HD21 ASN 95 1HD2 ASN 95 11.139 10.168 -1.994 755 HD22 ASN 95 2HD2 ASN 95 12.583 11.135 -2.082 756 H LEU 96 H LEU 96 7.338 10.940 -5.378 757 HA LEU 96 HA LEU 96 6.163 8.600 -4.421 758 HB2 LEU 96 2HB LEU 96 5.016 10.751 -4.532 759 HB3 LEU 96 1HB LEU 96 5.018 10.671 -6.278 760 HG LEU 96 HG LEU 96 3.507 8.706 -6.186 761 HD11 LEU 96 1HD1 LEU 96 4.210 7.809 -4.017 762 HD12 LEU 96 2HD1 LEU 96 2.471 8.091 -4.060 763 HD13 LEU 96 3HD1 LEU 96 3.525 9.217 -3.208 764 HD21 LEU 96 3HD2 LEU 96 2.604 10.964 -6.368 765 HD22 LEU 96 1HD2 LEU 96 2.584 11.101 -4.610 766 HD23 LEU 96 2HD2 LEU 96 1.538 9.931 -5.412 767 H GLN 97 H GLN 97 6.764 9.634 -7.859 768 HA GLN 97 HA GLN 97 5.519 7.372 -8.902 769 HB2 GLN 97 2HB GLN 97 6.448 7.991 -11.020 770 HB3 GLN 97 1HB GLN 97 5.937 9.443 -10.196 771 HG2 GLN 97 2HG GLN 97 8.346 9.758 -9.520 772 HG3 GLN 97 1HG GLN 97 8.676 8.393 -10.604 773 HE21 GLN 97 1HE2 GLN 97 8.561 8.679 -12.805 774 HE22 GLN 97 2HE2 GLN 97 8.431 10.238 -13.534 775 H LYS 98 H LYS 98 8.834 7.947 -7.874 776 HA LYS 98 HA LYS 98 9.873 5.549 -8.923 777 HB2 LYS 98 2HB LYS 98 10.795 7.338 -6.715 778 HB3 LYS 98 1HB LYS 98 11.684 5.878 -7.055 779 HG2 LYS 98 2HG LYS 98 11.898 6.726 -9.432 780 HG3 LYS 98 1HG LYS 98 11.229 8.251 -8.848 781 HD2 LYS 98 2HD LYS 98 13.059 8.475 -7.267 782 HD3 LYS 98 1HD LYS 98 13.703 6.910 -7.765 783 HE2 LYS 98 2HE LYS 98 13.979 7.805 -10.057 784 HE3 LYS 98 1HE LYS 98 13.438 9.376 -9.471 785 HZ1 LYS 98 3HZ LYS 98 15.368 9.398 -7.957 786 HZ2 LYS 98 1HZ LYS 98 15.824 9.252 -9.585 787 HZ3 LYS 98 2HZ LYS 98 15.846 7.904 -8.579 788 H SER 99 H SER 99 8.163 6.243 -6.001 789 HA SER 99 HA SER 99 8.610 3.737 -4.720 790 HB2 SER 99 2HB SER 99 6.323 5.710 -4.399 791 HB3 SER 99 1HB SER 99 6.796 4.431 -3.277 792 HG SER 99 HG SER 99 8.303 6.747 -3.953 793 H LEU 100 H LEU 100 6.062 5.012 -6.877 794 HA LEU 100 HA LEU 100 4.469 2.688 -7.038 795 HB2 LEU 100 2HB LEU 100 4.911 5.065 -8.862 796 HB3 LEU 100 1HB LEU 100 3.857 3.752 -9.314 797 HG LEU 100 HG LEU 100 2.815 5.886 -8.389 798 HD11 LEU 100 1HD1 LEU 100 1.049 4.615 -7.192 799 HD12 LEU 100 2HD1 LEU 100 2.131 3.224 -7.113 800 HD13 LEU 100 3HD1 LEU 100 1.558 3.805 -8.674 801 HD21 LEU 100 3HD2 LEU 100 2.537 6.006 -5.956 802 HD22 LEU 100 1HD2 LEU 100 4.223 6.207 -6.439 803 HD23 LEU 100 2HD2 LEU 100 3.674 4.671 -5.767 804 H GLU 101 H GLU 101 7.167 3.809 -9.081 805 HA GLU 101 HA GLU 101 7.373 1.734 -10.945 806 HB2 GLU 101 2HB GLU 101 9.549 3.289 -9.533 807 HB3 GLU 101 1HB GLU 101 9.835 2.247 -10.911 808 HG2 GLU 101 2HG GLU 101 7.920 4.528 -11.043 809 HG3 GLU 101 1HG GLU 101 9.657 4.753 -11.246 810 H ALA 102 H ALA 102 8.860 2.062 -7.800 811 HA ALA 102 HA ALA 102 10.229 -0.357 -7.701 812 HB1 ALA 102 1HB ALA 102 10.551 1.552 -6.148 813 HB2 ALA 102 2HB ALA 102 10.433 -0.010 -5.339 814 HB3 ALA 102 3HB ALA 102 9.054 1.098 -5.336 815 H MET 103 H MET 103 6.924 0.413 -6.628 816 HA MET 103 HA MET 103 6.340 -2.140 -5.656 817 HB2 MET 103 2HB MET 103 4.528 -0.041 -6.751 818 HB3 MET 103 1HB MET 103 3.892 -1.563 -6.163 819 HG2 MET 103 2HG MET 103 5.039 -1.013 -4.002 820 HG3 MET 103 1HG MET 103 5.292 0.609 -4.662 821 HE1 MET 103 3HE MET 103 3.207 2.182 -5.448 822 HE2 MET 103 1HE MET 103 1.522 1.696 -5.294 823 HE3 MET 103 2HE MET 103 2.578 0.857 -6.432 824 H LYS 104 H LYS 104 6.074 -0.849 -8.963 825 HA LYS 104 HA LYS 104 4.621 -2.852 -10.120 826 HB2 LYS 104 2HB LYS 104 6.928 -1.364 -11.261 827 HB3 LYS 104 1HB LYS 104 5.847 -2.398 -12.179 828 HG2 LYS 104 2HG LYS 104 4.003 -0.871 -11.213 829 HG3 LYS 104 1HG LYS 104 5.347 0.217 -10.895 830 HD2 LYS 104 2HD LYS 104 4.674 -0.989 -13.548 831 HD3 LYS 104 1HD LYS 104 4.347 0.651 -12.982 832 HE2 LYS 104 2HE LYS 104 6.750 1.099 -12.807 833 HE3 LYS 104 1HE LYS 104 7.087 -0.587 -13.210 834 HZ1 LYS 104 3HZ LYS 104 7.390 0.965 -15.087 835 HZ2 LYS 104 1HZ LYS 104 5.755 1.333 -15.010 836 HZ3 LYS 104 2HZ LYS 104 6.239 -0.226 -15.409 837 H SER 105 H SER 105 8.117 -2.573 -9.711 838 HA SER 105 HA SER 105 8.891 -4.895 -11.021 839 HB2 SER 105 2HB SER 105 10.458 -3.104 -10.368 840 HB3 SER 105 1HB SER 105 10.246 -3.533 -8.674 841 HG SER 105 HG SER 105 11.124 -5.443 -10.566 842 H HIS 106 H HIS 106 7.951 -4.419 -7.642 843 HA HIS 106 HA HIS 106 8.501 -7.169 -6.978 844 HB2 HIS 106 2HB HIS 106 8.653 -5.463 -5.225 845 HB3 HIS 106 1HB HIS 106 6.924 -5.147 -5.391 846 HD1 HIS 106 1HD HIS 106 5.577 -6.353 -3.688 847 HD2 HIS 106 2HD HIS 106 8.908 -8.445 -4.886 848 HE1 HIS 106 1HE HIS 106 5.518 -8.380 -2.325 849 HE2 HIS 106 2HE HIS 106 7.836 -9.335 -2.658 850 H CYS 107 H CYS 107 5.513 -5.378 -7.692 851 HA CYS 107 HA CYS 107 3.881 -7.550 -7.072 852 HB2 CYS 107 2HB CYS 107 2.126 -6.370 -8.468 853 HB3 CYS 107 1HB CYS 107 2.843 -5.402 -7.183 854 HG CYS 107 HG CYS 107 4.476 -4.971 -10.019 855 H LEU 108 H LEU 108 5.626 -6.797 -10.007 856 HA LEU 108 HA LEU 108 4.423 -8.671 -11.703 857 HB2 LEU 108 2HB LEU 108 7.249 -7.666 -11.620 858 HB3 LEU 108 1HB LEU 108 6.531 -8.569 -12.934 859 HG LEU 108 HG LEU 108 5.722 -5.825 -12.015 860 HD11 LEU 108 1HD1 LEU 108 7.124 -6.759 -14.500 861 HD12 LEU 108 2HD1 LEU 108 7.848 -5.918 -13.131 862 HD13 LEU 108 3HD1 LEU 108 6.643 -5.091 -14.137 863 HD21 LEU 108 3HD2 LEU 108 3.851 -7.080 -12.776 864 HD22 LEU 108 1HD2 LEU 108 4.696 -7.552 -14.251 865 HD23 LEU 108 2HD2 LEU 108 4.256 -5.849 -13.988 866 H LYS 109 H LYS 109 7.014 -8.942 -9.357 867 HA LYS 109 HA LYS 109 7.893 -11.542 -10.154 868 HB2 LYS 109 2HB LYS 109 8.188 -10.218 -7.458 869 HB3 LYS 109 1HB LYS 109 9.129 -11.582 -8.057 870 HG2 LYS 109 2HG LYS 109 9.883 -10.198 -9.894 871 HG3 LYS 109 1HG LYS 109 9.036 -8.837 -9.213 872 HD2 LYS 109 2HD LYS 109 11.395 -8.665 -8.567 873 HD3 LYS 109 1HD LYS 109 10.400 -8.967 -7.147 874 HE2 LYS 109 2HE LYS 109 11.032 -11.320 -7.184 875 HE3 LYS 109 1HE LYS 109 11.961 -11.066 -8.662 876 HZ1 LYS 109 3HZ LYS 109 13.363 -11.107 -6.690 877 HZ2 LYS 109 1HZ LYS 109 12.543 -9.799 -6.026 878 HZ3 LYS 109 2HZ LYS 109 13.443 -9.607 -7.437 879 H ASN 110 H ASN 110 5.284 -10.530 -8.563 880 HA ASN 110 HA ASN 110 4.751 -13.207 -7.386 881 HB2 ASN 110 2HB ASN 110 3.712 -10.566 -6.407 882 HB3 ASN 110 1HB ASN 110 3.200 -12.127 -5.762 883 HD21 ASN 110 1HD2 ASN 110 5.793 -9.845 -6.052 884 HD22 ASN 110 2HD2 ASN 110 6.802 -10.541 -4.844 885 H GLY 111 H GLY 111 3.585 -10.956 -9.640 886 HA2 GLY 111 2HA GLY 111 1.919 -11.286 -11.203 887 HA3 GLY 111 1HA GLY 111 1.446 -12.755 -10.351 888 H VAL 112 H VAL 112 1.818 -9.682 -8.801 889 HA VAL 112 HA VAL 112 -0.906 -9.807 -7.832 890 HB VAL 112 HB VAL 112 1.321 -7.831 -7.229 891 HG11 VAL 112 1HG1 VAL 112 -0.877 -6.782 -6.943 892 HG12 VAL 112 2HG1 VAL 112 -0.095 -7.054 -5.384 893 HG13 VAL 112 3HG1 VAL 112 -1.385 -8.126 -5.921 894 HG21 VAL 112 3HG2 VAL 112 1.424 -8.964 -5.064 895 HG22 VAL 112 1HG2 VAL 112 1.734 -10.084 -6.394 896 HG23 VAL 112 2HG2 VAL 112 0.163 -10.080 -5.593 897 H THR 113 H THR 113 -2.491 -8.935 -8.879 898 HA THR 113 HA THR 113 -2.040 -6.666 -10.737 899 HB THR 113 HB THR 113 -4.068 -7.570 -11.871 900 HG1 THR 113 1HG THR 113 -4.864 -8.841 -10.068 901 HG21 THR 113 3HG2 THR 113 -1.825 -8.072 -12.730 902 HG22 THR 113 1HG2 THR 113 -2.899 -9.450 -12.966 903 HG23 THR 113 2HG2 THR 113 -1.718 -9.464 -11.654 904 H ASP 114 H ASP 114 -3.110 -7.220 -7.743 905 HA ASP 114 HA ASP 114 -5.150 -5.123 -7.990 906 HB2 ASP 114 2HB ASP 114 -5.406 -7.584 -6.215 907 HB3 ASP 114 1HB ASP 114 -6.589 -6.292 -6.386 908 H LEU 115 H LEU 115 -4.578 -3.511 -6.691 909 HA LEU 115 HA LEU 115 -2.980 -4.076 -4.321 910 HB2 LEU 115 2HB LEU 115 -1.680 -3.581 -6.550 911 HB3 LEU 115 1HB LEU 115 -2.201 -1.938 -6.287 912 HG LEU 115 HG LEU 115 -0.427 -3.555 -4.462 913 HD11 LEU 115 1HD1 LEU 115 0.661 -2.957 -6.537 914 HD12 LEU 115 2HD1 LEU 115 1.334 -2.031 -5.195 915 HD13 LEU 115 3HD1 LEU 115 0.201 -1.272 -6.315 916 HD21 LEU 115 3HD2 LEU 115 -0.048 -1.477 -3.283 917 HD22 LEU 115 1HD2 LEU 115 -1.749 -1.931 -3.206 918 HD23 LEU 115 2HD2 LEU 115 -1.223 -0.659 -4.315 919 H SER 116 H SER 116 -3.677 -2.745 -2.648 920 HA SER 116 HA SER 116 -5.473 -0.561 -3.367 921 HB2 SER 116 2HB SER 116 -6.689 -1.139 -1.267 922 HB3 SER 116 1HB SER 116 -6.785 -2.387 -2.514 923 HG SER 116 HG SER 116 -4.887 -3.318 -1.321 924 H MET 117 H MET 117 -5.335 1.283 -2.130 925 HA MET 117 HA MET 117 -3.439 1.365 0.058 926 HB2 MET 117 2HB MET 117 -2.306 3.400 -0.815 927 HB3 MET 117 1HB MET 117 -2.059 2.036 -1.850 928 HG2 MET 117 2HG MET 117 -4.129 4.171 -2.415 929 HG3 MET 117 1HG MET 117 -2.488 4.186 -3.058 930 HE1 MET 117 3HE MET 117 -1.579 2.377 -4.778 931 HE2 MET 117 1HE MET 117 -2.537 1.003 -5.340 932 HE3 MET 117 2HE MET 117 -2.027 1.093 -3.655 933 HA PRO 118 HA PRO 118 -6.549 4.042 1.674 934 HB2 PRO 118 2HB PRO 118 -5.272 5.567 3.416 935 HB3 PRO 118 1HB PRO 118 -5.231 3.806 3.608 936 HG2 PRO 118 2HG PRO 118 -3.197 5.601 2.347 937 HG3 PRO 118 1HG PRO 118 -2.918 4.369 3.577 938 HD2 PRO 118 2HD PRO 118 -2.515 3.926 0.973 939 HD3 PRO 118 1HD PRO 118 -3.067 2.639 2.061 940 H ARG 119 H ARG 119 -6.504 6.590 2.458 941 HA ARG 119 HA ARG 119 -6.565 8.044 0.006 942 HB2 ARG 119 2HB ARG 119 -8.286 8.274 1.798 943 HB3 ARG 119 1HB ARG 119 -7.070 8.940 2.856 944 HG2 ARG 119 2HG ARG 119 -6.850 10.879 1.380 945 HG3 ARG 119 1HG ARG 119 -8.078 10.194 0.309 946 HD2 ARG 119 2HD ARG 119 -9.673 10.182 2.194 947 HD3 ARG 119 1HD ARG 119 -8.457 10.952 3.203 948 HE ARG 119 HE ARG 119 -8.877 12.469 0.877 949 HH11 ARG 119 1HH1 ARG 119 -10.533 11.643 3.937 950 HH12 ARG 119 2HH1 ARG 119 -11.441 13.073 3.957 951 HH21 ARG 119 1HH2 ARG 119 -10.122 14.401 0.938 952 HH22 ARG 119 2HH2 ARG 119 -11.210 14.701 2.210 953 H ILE 120 H ILE 120 -4.346 7.890 -0.481 954 HA ILE 120 HA ILE 120 -2.480 9.293 1.204 955 HB ILE 120 HB ILE 120 -0.757 8.661 -0.551 956 HG12 ILE 120 2HG1 ILE 120 -3.047 7.027 -1.691 957 HG13 ILE 120 1HG1 ILE 120 -2.328 8.435 -2.455 958 HG21 ILE 120 1HG2 ILE 120 -1.062 7.342 1.465 959 HG22 ILE 120 2HG2 ILE 120 -0.682 6.300 0.095 960 HG23 ILE 120 3HG2 ILE 120 -2.341 6.416 0.676 961 HD11 ILE 120 3HD1 ILE 120 -1.523 6.374 -3.459 962 HD12 ILE 120 1HD1 ILE 120 -0.940 5.821 -1.887 963 HD13 ILE 120 2HD1 ILE 120 -0.204 7.226 -2.656 964 H GLY 121 H GLY 121 -3.012 11.343 1.201 965 HA2 GLY 121 2HA GLY 121 -2.767 13.514 0.445 966 HA3 GLY 121 1HA GLY 121 -2.312 12.879 -1.137 967 H CYS 122 H CYS 122 -3.978 11.989 -2.465 968 HA CYS 122 HA CYS 122 -5.872 12.224 -3.690 969 HB2 CYS 122 2HB CYS 122 -7.114 12.070 -0.948 970 HB3 CYS 122 1HB CYS 122 -7.985 11.834 -2.464 971 HG CYS 122 HG CYS 122 -6.258 9.644 -3.201 972 H GLY 123 H GLY 123 -4.672 14.727 -2.569 973 HA2 GLY 123 2HA GLY 123 -5.786 16.737 -3.835 974 HA3 GLY 123 1HA GLY 123 -6.945 16.553 -2.517 975 H LEU 124 H LEU 124 -3.424 16.483 -2.868 976 HA LEU 124 HA LEU 124 -3.214 17.783 -0.274 977 HB2 LEU 124 2HB LEU 124 -2.003 15.575 -1.149 978 HB3 LEU 124 1HB LEU 124 -0.936 16.705 -1.932 979 HG LEU 124 HG LEU 124 -1.352 16.479 1.063 980 HD11 LEU 124 1HD1 LEU 124 0.873 15.494 1.097 981 HD12 LEU 124 2HD1 LEU 124 0.914 15.532 -0.667 982 HD13 LEU 124 3HD1 LEU 124 -0.267 14.523 0.170 983 HD21 LEU 124 3HD2 LEU 124 0.720 18.022 -0.485 984 HD22 LEU 124 1HD2 LEU 124 0.623 17.882 1.267 985 HD23 LEU 124 2HD2 LEU 124 -0.639 18.738 0.385 986 H ASP 125 H ASP 125 -1.997 19.746 -0.134 987 HA ASP 125 HA ASP 125 -2.316 21.453 -2.398 988 HB2 ASP 125 2HB ASP 125 -1.419 23.204 -0.886 989 HB3 ASP 125 1HB ASP 125 -2.779 22.315 -0.203 990 H ARG 126 H ARG 126 0.272 19.552 -1.230 991 HA ARG 126 HA ARG 126 2.347 21.136 -2.426 992 HB2 ARG 126 2HB ARG 126 2.721 19.575 -0.450 993 HB3 ARG 126 1HB ARG 126 2.519 18.246 -1.562 994 HG2 ARG 126 2HG ARG 126 4.804 18.555 -1.232 995 HG3 ARG 126 1HG ARG 126 4.389 19.071 -2.871 996 HD2 ARG 126 2HD ARG 126 4.762 20.924 -0.514 997 HD3 ARG 126 1HD ARG 126 5.962 20.533 -1.756 998 HE ARG 126 HE ARG 126 4.446 21.570 -3.376 999 HH11 ARG 126 1HH1 ARG 126 4.014 22.476 0.049 1000 HH12 ARG 126 2HH1 ARG 126 3.292 23.951 -0.307 1001 HH21 ARG 126 1HH2 ARG 126 3.435 23.571 -3.827 1002 HH22 ARG 126 2HH2 ARG 126 2.921 24.607 -2.570 1003 H LEU 127 H LEU 127 0.458 18.295 -3.256 1004 HA LEU 127 HA LEU 127 0.936 18.760 -5.996 1005 HB2 LEU 127 2HB LEU 127 1.588 16.508 -6.578 1006 HB3 LEU 127 1HB LEU 127 2.786 17.245 -5.552 1007 HG LEU 127 HG LEU 127 0.762 15.203 -4.619 1008 HD11 LEU 127 1HD1 LEU 127 3.650 14.934 -5.402 1009 HD12 LEU 127 2HD1 LEU 127 2.250 14.333 -6.285 1010 HD13 LEU 127 3HD1 LEU 127 2.645 13.648 -4.694 1011 HD21 LEU 127 3HD2 LEU 127 3.282 16.255 -3.396 1012 HD22 LEU 127 1HD2 LEU 127 2.172 15.061 -2.657 1013 HD23 LEU 127 2HD2 LEU 127 1.650 16.739 -2.968 1014 H GLN 128 H GLN 128 -0.706 18.021 -7.196 1015 HA GLN 128 HA GLN 128 -3.059 17.576 -5.632 1016 HB2 GLN 128 2HB GLN 128 -2.994 19.413 -7.215 1017 HB3 GLN 128 1HB GLN 128 -2.647 18.295 -8.524 1018 HG2 GLN 128 2HG GLN 128 -4.926 18.948 -8.555 1019 HG3 GLN 128 1HG GLN 128 -4.700 17.221 -8.182 1020 HE21 GLN 128 1HE2 GLN 128 -5.643 20.293 -6.880 1021 HE22 GLN 128 2HE2 GLN 128 -6.399 19.716 -5.441 1022 H TRP 129 H TRP 129 -4.411 15.867 -5.890 1023 HA TRP 129 HA TRP 129 -3.217 13.402 -6.479 1024 HB2 TRP 129 2HB TRP 129 -4.951 13.534 -4.844 1025 HB3 TRP 129 1HB TRP 129 -6.116 14.071 -6.046 1026 HD1 TRP 129 HD TRP 129 -7.423 12.244 -7.329 1027 HE1 TRP 129 1HE TRP 129 -7.360 9.708 -7.443 1028 HE3 TRP 129 3HE TRP 129 -3.164 11.455 -4.626 1029 HZ2 TRP 129 2HZ TRP 129 -5.702 7.595 -6.491 1030 HZ3 TRP 129 3HZ TRP 129 -2.406 9.152 -4.282 1031 HH2 TRP 129 HH TRP 129 -3.653 7.256 -5.190 1032 H GLU 130 H GLU 130 -5.363 15.421 -8.380 1033 HA GLU 130 HA GLU 130 -5.931 13.570 -10.361 1034 HB2 GLU 130 2HB GLU 130 -7.066 15.731 -10.157 1035 HB3 GLU 130 1HB GLU 130 -5.593 16.553 -10.636 1036 HG2 GLU 130 2HG GLU 130 -5.711 15.604 -12.828 1037 HG3 GLU 130 1HG GLU 130 -7.088 14.607 -12.371 1038 H ASN 131 H ASN 131 -3.045 15.503 -9.881 1039 HA ASN 131 HA ASN 131 -1.879 14.750 -12.396 1040 HB2 ASN 131 2HB ASN 131 -0.553 15.872 -9.915 1041 HB3 ASN 131 1HB ASN 131 0.232 15.671 -11.476 1042 HD21 ASN 131 1HD2 ASN 131 -0.108 18.019 -9.932 1043 HD22 ASN 131 2HD2 ASN 131 -0.996 19.157 -10.888 1044 H VAL 132 H VAL 132 -1.733 13.677 -9.066 1045 HA VAL 132 HA VAL 132 0.244 11.692 -9.345 1046 HB VAL 132 HB VAL 132 -2.133 11.708 -7.459 1047 HG11 VAL 132 1HG1 VAL 132 -1.149 9.496 -7.626 1048 HG12 VAL 132 2HG1 VAL 132 -0.779 10.206 -6.055 1049 HG13 VAL 132 3HG1 VAL 132 0.452 10.166 -7.324 1050 HG21 VAL 132 3HG2 VAL 132 -0.562 12.638 -5.811 1051 HG22 VAL 132 1HG2 VAL 132 -0.761 13.706 -7.202 1052 HG23 VAL 132 2HG2 VAL 132 0.686 12.707 -7.053 1053 H SER 133 H SER 133 -3.273 11.539 -9.640 1054 HA SER 133 HA SER 133 -3.606 8.857 -10.207 1055 HB2 SER 133 2HB SER 133 -5.475 10.314 -9.683 1056 HB3 SER 133 1HB SER 133 -5.207 11.290 -11.110 1057 HG SER 133 HG SER 133 -5.495 8.810 -11.941 1058 H ALA 134 H ALA 134 -2.717 11.534 -12.325 1059 HA ALA 134 HA ALA 134 -2.773 10.004 -14.722 1060 HB1 ALA 134 1HB ALA 134 -2.928 12.447 -14.753 1061 HB2 ALA 134 2HB ALA 134 -1.543 11.894 -15.697 1062 HB3 ALA 134 3HB ALA 134 -1.299 12.563 -14.082 1063 H MET 135 H MET 135 -0.229 11.037 -12.517 1064 HA MET 135 HA MET 135 1.932 9.860 -13.806 1065 HB2 MET 135 2HB MET 135 2.204 11.565 -12.096 1066 HB3 MET 135 1HB MET 135 1.555 10.482 -10.880 1067 HG2 MET 135 2HG MET 135 3.471 9.066 -11.016 1068 HG3 MET 135 1HG MET 135 4.086 9.947 -12.415 1069 HE1 MET 135 3HE MET 135 3.882 11.791 -8.194 1070 HE2 MET 135 1HE MET 135 3.344 10.141 -8.524 1071 HE3 MET 135 2HE MET 135 2.441 11.522 -9.171 1072 H ILE 136 H ILE 136 -0.277 8.451 -11.428 1073 HA ILE 136 HA ILE 136 1.061 5.990 -11.094 1074 HB ILE 136 HB ILE 136 -1.916 6.610 -10.966 1075 HG12 ILE 136 2HG1 ILE 136 0.146 6.291 -8.774 1076 HG13 ILE 136 1HG1 ILE 136 -0.530 7.814 -9.334 1077 HG21 ILE 136 1HG2 ILE 136 -2.201 4.516 -9.721 1078 HG22 ILE 136 2HG2 ILE 136 -0.512 4.118 -9.969 1079 HG23 ILE 136 3HG2 ILE 136 -1.610 4.206 -11.351 1080 HD11 ILE 136 3HD1 ILE 136 -2.058 5.590 -7.991 1081 HD12 ILE 136 1HD1 ILE 136 -2.730 7.125 -8.542 1082 HD13 ILE 136 2HD1 ILE 136 -1.541 7.102 -7.241 1083 H GLU 137 H GLU 137 -1.236 7.087 -13.497 1084 HA GLU 137 HA GLU 137 -1.419 4.705 -14.991 1085 HB2 GLU 137 2HB GLU 137 -2.016 7.590 -15.506 1086 HB3 GLU 137 1HB GLU 137 -2.144 6.408 -16.800 1087 HG2 GLU 137 2HG GLU 137 -3.475 5.943 -14.193 1088 HG3 GLU 137 1HG GLU 137 -4.267 6.966 -15.379 1089 H GLU 138 H GLU 138 0.826 7.357 -14.979 1090 HA GLU 138 HA GLU 138 2.147 6.630 -17.419 1091 HB2 GLU 138 2HB GLU 138 3.237 8.230 -15.119 1092 HB3 GLU 138 1HB GLU 138 3.871 8.177 -16.753 1093 HG2 GLU 138 2HG GLU 138 1.743 9.200 -17.539 1094 HG3 GLU 138 1HG GLU 138 1.269 9.365 -15.843 1095 H VAL 139 H VAL 139 2.616 5.959 -14.034 1096 HA VAL 139 HA VAL 139 5.028 4.510 -14.475 1097 HB VAL 139 HB VAL 139 3.203 4.622 -12.046 1098 HG11 VAL 139 1HG1 VAL 139 4.379 2.504 -12.033 1099 HG12 VAL 139 2HG1 VAL 139 5.085 3.573 -10.824 1100 HG13 VAL 139 3HG1 VAL 139 5.906 3.324 -12.358 1101 HG21 VAL 139 3HG2 VAL 139 5.012 6.005 -11.082 1102 HG22 VAL 139 1HG2 VAL 139 4.369 6.728 -12.551 1103 HG23 VAL 139 2HG2 VAL 139 5.913 5.886 -12.579 1104 H PHE 140 H PHE 140 1.693 3.499 -13.769 1105 HA PHE 140 HA PHE 140 2.328 0.752 -14.165 1106 HB2 PHE 140 2HB PHE 140 -0.220 2.134 -13.503 1107 HB3 PHE 140 1HB PHE 140 -0.231 0.473 -14.078 1108 HD1 PHE 140 2HD PHE 140 1.146 -1.277 -12.766 1109 HD2 PHE 140 1HD PHE 140 0.243 2.622 -11.260 1110 HE1 PHE 140 2HE PHE 140 1.543 -2.058 -10.524 1111 HE2 PHE 140 1HE PHE 140 0.667 1.790 -8.981 1112 HZ PHE 140 HZ PHE 140 1.308 -0.614 -8.656 1113 H GLU 141 H GLU 141 1.666 3.095 -16.507 1114 HA GLU 141 HA GLU 141 0.194 1.660 -18.313 1115 HB2 GLU 141 2HB GLU 141 1.346 2.857 -20.103 1116 HB3 GLU 141 1HB GLU 141 0.980 3.935 -18.770 1117 HG2 GLU 141 2HG GLU 141 3.282 3.763 -18.002 1118 HG3 GLU 141 1HG GLU 141 3.601 2.659 -19.349 1119 H ALA 142 H ALA 142 0.502 0.087 -19.662 1120 HA ALA 142 HA ALA 142 1.225 -1.791 -20.623 1121 HB1 ALA 142 1HB ALA 142 3.561 -2.449 -20.795 1122 HB2 ALA 142 2HB ALA 142 4.007 -1.319 -19.523 1123 HB3 ALA 142 3HB ALA 142 3.428 -0.711 -21.074 1124 H THR 143 H THR 143 1.507 -1.292 -17.256 1125 HA THR 143 HA THR 143 1.329 -4.201 -16.867 1126 HB THR 143 HB THR 143 1.928 -3.788 -14.479 1127 HG1 THR 143 1HG THR 143 1.315 -1.313 -15.071 1128 HG21 THR 143 3HG2 THR 143 3.834 -2.530 -16.409 1129 HG22 THR 143 1HG2 THR 143 3.712 -4.269 -16.054 1130 HG23 THR 143 2HG2 THR 143 4.246 -3.115 -14.799 1131 H ASP 144 H ASP 144 -0.709 -4.850 -16.669 1132 HA ASP 144 HA ASP 144 -2.619 -2.861 -15.779 1133 HB2 ASP 144 2HB ASP 144 -3.354 -4.046 -17.742 1134 HB3 ASP 144 1HB ASP 144 -3.208 -5.595 -16.910 1135 H ILE 145 H ILE 145 -2.282 -2.599 -13.747 1136 HA ILE 145 HA ILE 145 -3.136 -4.776 -11.996 1137 HB ILE 145 HB ILE 145 -0.956 -2.671 -11.353 1138 HG12 ILE 145 2HG1 ILE 145 -0.732 -5.667 -11.749 1139 HG13 ILE 145 1HG1 ILE 145 -0.374 -4.493 -12.996 1140 HG21 ILE 145 1HG2 ILE 145 -1.981 -4.892 -9.655 1141 HG22 ILE 145 2HG2 ILE 145 -2.261 -3.167 -9.419 1142 HG23 ILE 145 3HG2 ILE 145 -0.622 -3.814 -9.324 1143 HD11 ILE 145 3HD1 ILE 145 0.992 -4.639 -10.340 1144 HD12 ILE 145 1HD1 ILE 145 1.410 -3.606 -11.723 1145 HD13 ILE 145 2HD1 ILE 145 1.579 -5.352 -11.839 1146 H LYS 146 H LYS 146 -4.720 -4.224 -10.581 1147 HA LYS 146 HA LYS 146 -5.994 -1.692 -11.047 1148 HB2 LYS 146 2HB LYS 146 -6.846 -4.131 -9.512 1149 HB3 LYS 146 1HB LYS 146 -7.704 -2.612 -9.356 1150 HG2 LYS 146 2HG LYS 146 -8.839 -4.054 -10.922 1151 HG3 LYS 146 1HG LYS 146 -8.187 -2.655 -11.760 1152 HD2 LYS 146 2HD LYS 146 -6.344 -3.949 -12.533 1153 HD3 LYS 146 1HD LYS 146 -6.930 -5.391 -11.686 1154 HE2 LYS 146 2HE LYS 146 -9.056 -5.214 -13.007 1155 HE3 LYS 146 1HE LYS 146 -8.323 -3.904 -13.922 1156 HZ1 LYS 146 3HZ LYS 146 -6.679 -5.463 -14.802 1157 HZ2 LYS 146 1HZ LYS 146 -8.243 -6.028 -15.040 1158 HZ3 LYS 146 2HZ LYS 146 -7.321 -6.696 -13.819 1159 H ILE 147 H ILE 147 -6.192 -0.127 -9.778 1160 HA ILE 147 HA ILE 147 -4.675 -0.107 -7.257 1161 HB ILE 147 HB ILE 147 -5.511 2.141 -9.110 1162 HG12 ILE 147 2HG1 ILE 147 -3.731 0.820 -10.115 1163 HG13 ILE 147 1HG1 ILE 147 -3.135 2.409 -9.655 1164 HG21 ILE 147 1HG2 ILE 147 -5.453 2.942 -6.848 1165 HG22 ILE 147 2HG2 ILE 147 -4.091 3.613 -7.743 1166 HG23 ILE 147 3HG2 ILE 147 -3.839 2.288 -6.612 1167 HD11 ILE 147 3HD1 ILE 147 -2.688 -0.158 -8.146 1168 HD12 ILE 147 1HD1 ILE 147 -2.077 1.450 -7.701 1169 HD13 ILE 147 2HD1 ILE 147 -1.538 0.687 -9.191 1170 H THR 148 H THR 148 -6.043 -0.205 -5.582 1171 HA THR 148 HA THR 148 -8.654 1.060 -5.910 1172 HB THR 148 HB THR 148 -7.947 -1.176 -3.982 1173 HG1 THR 148 1HG THR 148 -9.728 -1.401 -6.156 1174 HG21 THR 148 3HG2 THR 148 -10.573 0.072 -4.776 1175 HG22 THR 148 1HG2 THR 148 -9.754 0.303 -3.235 1176 HG23 THR 148 2HG2 THR 148 -10.377 -1.289 -3.670 1177 H VAL 149 H VAL 149 -8.781 2.877 -4.934 1178 HA VAL 149 HA VAL 149 -7.004 3.463 -2.694 1179 HB VAL 149 HB VAL 149 -8.548 5.311 -4.545 1180 HG11 VAL 149 1HG1 VAL 149 -8.384 6.322 -2.329 1181 HG12 VAL 149 2HG1 VAL 149 -7.317 7.113 -3.509 1182 HG13 VAL 149 3HG1 VAL 149 -6.638 6.007 -2.314 1183 HG21 VAL 149 3HG2 VAL 149 -6.618 4.254 -5.575 1184 HG22 VAL 149 1HG2 VAL 149 -5.611 4.816 -4.235 1185 HG23 VAL 149 2HG2 VAL 149 -6.350 5.986 -5.322 1186 H TYR 150 H TYR 150 -7.842 3.286 -0.806 1187 HA TYR 150 HA TYR 150 -10.719 3.437 -0.467 1188 HB2 TYR 150 2HB TYR 150 -8.513 2.518 1.370 1189 HB3 TYR 150 1HB TYR 150 -10.176 2.721 1.907 1190 HD1 TYR 150 1HD TYR 150 -8.205 0.956 -0.749 1191 HD2 TYR 150 2HD TYR 150 -11.614 0.905 1.794 1192 HE1 TYR 150 1HE TYR 150 -8.739 -1.324 -1.497 1193 HE2 TYR 150 2HE TYR 150 -12.145 -1.369 1.041 1194 HH TYR 150 HH TYR 150 -9.941 -3.229 -0.837 1195 H THR 151 H THR 151 -11.681 5.029 0.365 1196 HA THR 151 HA THR 151 -10.086 7.355 0.953 1197 HB THR 151 HB THR 151 -12.325 8.552 0.793 1198 HG1 THR 151 1HG THR 151 -13.141 6.070 -0.347 1199 HG21 THR 151 3HG2 THR 151 -10.703 8.512 -1.058 1200 HG22 THR 151 1HG2 THR 151 -12.356 8.440 -1.667 1201 HG23 THR 151 2HG2 THR 151 -11.372 6.979 -1.613 1202 H LEU 152 H LEU 152 -9.936 8.287 2.815 1203 HA LEU 152 HA LEU 152 -11.393 7.174 5.081 1204 HB2 LEU 152 2HB LEU 152 -8.952 6.745 5.033 1205 HB3 LEU 152 1HB LEU 152 -8.665 8.466 4.933 1206 HG LEU 152 HG LEU 152 -9.639 8.739 7.192 1207 HD11 LEU 152 1HD1 LEU 152 -9.750 5.731 7.177 1208 HD12 LEU 152 2HD1 LEU 152 -11.133 6.829 7.218 1209 HD13 LEU 152 3HD1 LEU 152 -10.015 6.765 8.578 1210 HD21 LEU 152 3HD2 LEU 152 -7.390 6.743 6.983 1211 HD22 LEU 152 1HD2 LEU 152 -7.779 7.706 8.405 1212 HD23 LEU 152 2HD2 LEU 152 -7.236 8.499 6.926 Start of MODEL 4 1 H GLU 1 H GLU 1 -22.187 -14.435 4.317 2 HA GLU 1 HA GLU 1 -21.497 -14.718 2.233 3 HB2 GLU 1 2HB GLU 1 -19.604 -13.706 3.362 4 HB3 GLU 1 1HB GLU 1 -18.949 -15.288 3.740 5 HG2 GLU 1 2HG GLU 1 -18.677 -15.743 1.381 6 HG3 GLU 1 1HG GLU 1 -19.379 -14.167 1.014 7 H ALA 2 H ALA 2 -22.699 -16.362 1.476 8 HA ALA 2 HA ALA 2 -21.724 -19.082 1.484 9 HB1 ALA 2 1HB ALA 2 -24.139 -18.585 1.394 10 HB2 ALA 2 2HB ALA 2 -23.627 -19.517 -0.013 11 HB3 ALA 2 3HB ALA 2 -23.911 -17.781 -0.155 12 H SER 3 H SER 3 -21.707 -16.295 -0.526 13 HA SER 3 HA SER 3 -19.640 -17.445 -2.200 14 HB2 SER 3 2HB SER 3 -22.034 -15.882 -3.223 15 HB3 SER 3 1HB SER 3 -20.716 -16.526 -4.198 16 HG SER 3 HG SER 3 -21.464 -18.630 -3.152 17 H SER 4 H SER 4 -18.233 -15.710 -2.973 18 HA SER 4 HA SER 4 -18.066 -13.641 -1.010 19 HB2 SER 4 2HB SER 4 -16.288 -14.251 -3.359 20 HB3 SER 4 1HB SER 4 -15.900 -13.146 -2.034 21 HG SER 4 HG SER 4 -16.686 -15.381 -0.937 22 H LEU 5 H LEU 5 -18.237 -13.588 -4.511 23 HA LEU 5 HA LEU 5 -18.847 -12.020 -6.035 24 HB2 LEU 5 2HB LEU 5 -20.709 -11.327 -3.826 25 HB3 LEU 5 1HB LEU 5 -20.714 -10.375 -5.299 26 HG LEU 5 HG LEU 5 -21.306 -12.490 -6.533 27 HD11 LEU 5 1HD1 LEU 5 -21.680 -13.600 -3.774 28 HD12 LEU 5 2HD1 LEU 5 -20.466 -14.102 -4.948 29 HD13 LEU 5 3HD1 LEU 5 -22.176 -14.368 -5.281 30 HD21 LEU 5 3HD2 LEU 5 -22.995 -10.866 -5.949 31 HD22 LEU 5 1HD2 LEU 5 -23.186 -11.611 -4.360 32 HD23 LEU 5 2HD2 LEU 5 -23.637 -12.503 -5.813 33 H ASN 6 H ASN 6 -17.156 -10.797 -6.514 34 HA ASN 6 HA ASN 6 -16.585 -8.447 -4.900 35 HB2 ASN 6 2HB ASN 6 -15.489 -9.169 -7.660 36 HB3 ASN 6 1HB ASN 6 -14.907 -7.875 -6.627 37 HD21 ASN 6 1HD2 ASN 6 -15.002 -11.302 -7.151 38 HD22 ASN 6 2HD2 ASN 6 -13.739 -11.699 -6.051 39 H GLU 7 H GLU 7 -17.958 -9.340 -7.939 40 HA GLU 7 HA GLU 7 -19.308 -8.378 -9.431 41 HB2 GLU 7 2HB GLU 7 -20.785 -9.273 -7.749 42 HB3 GLU 7 1HB GLU 7 -20.770 -7.746 -6.881 43 HG2 GLU 7 2HG GLU 7 -21.791 -6.678 -8.846 44 HG3 GLU 7 1HG GLU 7 -21.888 -8.251 -9.619 45 H ASP 8 H ASP 8 -17.994 -6.835 -10.234 46 HA ASP 8 HA ASP 8 -18.983 -4.409 -10.937 47 HB2 ASP 8 2HB ASP 8 -18.805 -3.647 -8.536 48 HB3 ASP 8 1HB ASP 8 -17.078 -3.952 -8.581 49 HA PRO 9 HA PRO 9 -15.372 -5.245 -13.478 50 HB2 PRO 9 2HB PRO 9 -15.483 -2.932 -14.980 51 HB3 PRO 9 1HB PRO 9 -16.456 -4.368 -15.310 52 HG2 PRO 9 2HG PRO 9 -17.200 -1.873 -13.852 53 HG3 PRO 9 1HG PRO 9 -18.147 -2.803 -15.027 54 HD2 PRO 9 2HD PRO 9 -18.611 -3.000 -12.398 55 HD3 PRO 9 1HD PRO 9 -18.735 -4.419 -13.459 56 H GLU 10 H GLU 10 -13.232 -4.308 -13.808 57 HA GLU 10 HA GLU 10 -12.308 -3.066 -11.438 58 HB2 GLU 10 2HB GLU 10 -10.797 -3.292 -14.046 59 HB3 GLU 10 1HB GLU 10 -10.114 -3.155 -12.434 60 HG2 GLU 10 2HG GLU 10 -11.590 -5.523 -13.583 61 HG3 GLU 10 1HG GLU 10 -9.872 -5.412 -13.228 62 H GLY 11 H GLY 11 -12.973 -2.003 -14.615 63 HA2 GLY 11 2HA GLY 11 -13.817 0.064 -15.278 64 HA3 GLY 11 1HA GLY 11 -13.485 0.684 -13.669 65 H SER 12 H SER 12 -11.201 1.077 -13.193 66 HA SER 12 HA SER 12 -9.670 1.922 -15.532 67 HB2 SER 12 2HB SER 12 -11.034 3.842 -14.644 68 HB3 SER 12 1HB SER 12 -10.272 3.621 -13.074 69 HG SER 12 HG SER 12 -8.569 4.672 -13.785 70 H ARG 13 H ARG 13 -7.451 2.794 -14.380 71 HA ARG 13 HA ARG 13 -6.471 0.580 -12.918 72 HB2 ARG 13 2HB ARG 13 -5.223 3.251 -13.559 73 HB3 ARG 13 1HB ARG 13 -4.388 2.065 -12.555 74 HG2 ARG 13 2HG ARG 13 -5.403 1.508 -15.330 75 HG3 ARG 13 1HG ARG 13 -3.753 2.028 -14.967 76 HD2 ARG 13 2HD ARG 13 -3.219 0.121 -13.905 77 HD3 ARG 13 1HD ARG 13 -4.832 -0.389 -13.502 78 HE ARG 13 HE ARG 13 -4.037 -0.281 -16.326 79 HH11 ARG 13 1HH1 ARG 13 -4.509 -2.303 -13.479 80 HH12 ARG 13 2HH1 ARG 13 -4.782 -3.751 -14.348 81 HH21 ARG 13 1HH2 ARG 13 -4.393 -2.292 -17.544 82 HH22 ARG 13 2HH2 ARG 13 -4.696 -3.749 -16.701 83 H ILE 14 H ILE 14 -7.086 3.948 -11.911 84 HA ILE 14 HA ILE 14 -7.210 2.914 -9.186 85 HB ILE 14 HB ILE 14 -7.302 5.734 -10.212 86 HG12 ILE 14 2HG1 ILE 14 -5.190 4.281 -8.625 87 HG13 ILE 14 1HG1 ILE 14 -5.069 4.724 -10.324 88 HG21 ILE 14 1HG2 ILE 14 -8.676 5.605 -8.207 89 HG22 ILE 14 2HG2 ILE 14 -7.167 6.440 -7.809 90 HG23 ILE 14 3HG2 ILE 14 -7.387 4.763 -7.351 91 HD11 ILE 14 3HD1 ILE 14 -5.275 6.630 -8.009 92 HD12 ILE 14 1HD1 ILE 14 -5.101 7.069 -9.705 93 HD13 ILE 14 2HD1 ILE 14 -3.797 6.214 -8.869 94 H THR 15 H THR 15 -8.934 2.429 -8.336 95 HA THR 15 HA THR 15 -11.387 3.772 -9.123 96 HB THR 15 HB THR 15 -11.039 0.839 -8.527 97 HG1 THR 15 1HG THR 15 -11.581 0.594 -10.682 98 HG21 THR 15 3HG2 THR 15 -13.103 1.612 -7.443 99 HG22 THR 15 1HG2 THR 15 -13.503 0.626 -8.847 100 HG23 THR 15 2HG2 THR 15 -13.627 2.385 -8.932 101 H TYR 16 H TYR 16 -12.397 4.683 -7.588 102 HA TYR 16 HA TYR 16 -11.333 4.522 -4.893 103 HB2 TYR 16 2HB TYR 16 -13.436 6.354 -6.058 104 HB3 TYR 16 1HB TYR 16 -12.714 6.499 -4.466 105 HD1 TYR 16 2HD TYR 16 -10.358 7.236 -4.242 106 HD2 TYR 16 1HD TYR 16 -12.304 7.110 -8.022 107 HE1 TYR 16 2HE TYR 16 -8.618 8.677 -5.183 108 HE2 TYR 16 1HE TYR 16 -10.563 8.549 -8.972 109 HH TYR 16 HH TYR 16 -8.951 10.158 -8.236 110 H VAL 17 H VAL 17 -12.292 3.402 -3.392 111 HA VAL 17 HA VAL 17 -15.112 2.673 -3.752 112 HB VAL 17 HB VAL 17 -12.988 1.019 -2.386 113 HG11 VAL 17 1HG1 VAL 17 -14.696 -0.753 -2.302 114 HG12 VAL 17 2HG1 VAL 17 -15.867 0.381 -2.977 115 HG13 VAL 17 3HG1 VAL 17 -15.166 0.685 -1.391 116 HG21 VAL 17 3HG2 VAL 17 -13.235 -0.574 -4.245 117 HG22 VAL 17 1HG2 VAL 17 -12.631 0.988 -4.796 118 HG23 VAL 17 2HG2 VAL 17 -14.322 0.551 -5.059 119 H LYS 18 H LYS 18 -16.339 3.369 -2.161 120 HA LYS 18 HA LYS 18 -15.077 4.340 0.256 121 HB2 LYS 18 2HB LYS 18 -17.340 5.194 0.834 122 HB3 LYS 18 1HB LYS 18 -16.753 5.832 -0.695 123 HG2 LYS 18 2HG LYS 18 -18.184 4.238 -1.892 124 HG3 LYS 18 1HG LYS 18 -18.751 3.595 -0.353 125 HD2 LYS 18 2HD LYS 18 -19.134 6.425 -1.345 126 HD3 LYS 18 1HD LYS 18 -20.354 5.153 -1.347 127 HE2 LYS 18 2HE LYS 18 -20.169 5.038 1.123 128 HE3 LYS 18 1HE LYS 18 -19.032 6.380 1.071 129 HZ1 LYS 18 3HZ LYS 18 -21.251 7.149 1.570 130 HZ2 LYS 18 1HZ LYS 18 -21.841 6.447 0.150 131 HZ3 LYS 18 2HZ LYS 18 -20.772 7.739 0.047 132 H GLY 19 H GLY 19 -14.755 2.929 1.847 133 HA2 GLY 19 2HA GLY 19 -16.779 1.273 2.862 134 HA3 GLY 19 1HA GLY 19 -15.749 0.331 1.795 135 H ASP 20 H ASP 20 -14.323 -0.795 2.920 136 HA ASP 20 HA ASP 20 -13.059 0.556 5.190 137 HB2 ASP 20 2HB ASP 20 -14.764 -1.057 5.979 138 HB3 ASP 20 1HB ASP 20 -13.894 -2.336 5.148 139 H LEU 21 H LEU 21 -10.948 0.367 5.322 140 HA LEU 21 HA LEU 21 -9.561 -0.742 3.051 141 HB2 LEU 21 2HB LEU 21 -9.147 1.547 3.936 142 HB3 LEU 21 1HB LEU 21 -8.576 0.855 5.428 143 HG LEU 21 HG LEU 21 -6.785 1.766 3.973 144 HD11 LEU 21 1HD1 LEU 21 -5.196 0.012 4.189 145 HD12 LEU 21 2HD1 LEU 21 -6.483 -1.203 4.323 146 HD13 LEU 21 3HD1 LEU 21 -6.282 0.002 5.582 147 HD21 LEU 21 3HD2 LEU 21 -7.563 -0.453 2.086 148 HD22 LEU 21 1HD2 LEU 21 -6.116 0.543 1.963 149 HD23 LEU 21 2HD2 LEU 21 -7.703 1.285 1.803 150 H PHE 22 H PHE 22 -10.157 -1.670 6.331 151 HA PHE 22 HA PHE 22 -7.866 -3.450 6.279 152 HB2 PHE 22 2HB PHE 22 -9.767 -2.705 8.510 153 HB3 PHE 22 1HB PHE 22 -8.522 -3.946 8.692 154 HD1 PHE 22 2HD PHE 22 -9.012 -0.310 7.899 155 HD2 PHE 22 1HD PHE 22 -6.319 -3.321 9.297 156 HE1 PHE 22 2HE PHE 22 -7.375 1.380 8.442 157 HE2 PHE 22 1HE PHE 22 -4.695 -1.575 9.834 158 HZ PHE 22 HZ PHE 22 -5.210 0.736 9.402 159 H ALA 23 H ALA 23 -11.150 -3.540 5.561 160 HA ALA 23 HA ALA 23 -11.268 -6.469 5.761 161 HB1 ALA 23 1HB ALA 23 -13.126 -5.197 6.741 162 HB2 ALA 23 2HB ALA 23 -13.668 -6.212 5.405 163 HB3 ALA 23 3HB ALA 23 -13.459 -4.476 5.165 164 H CYS 24 H CYS 24 -9.836 -4.759 3.641 165 HA CYS 24 HA CYS 24 -11.120 -4.903 1.170 166 HB2 CYS 24 2HB CYS 24 -8.172 -5.116 1.780 167 HB3 CYS 24 1HB CYS 24 -8.845 -4.825 0.183 168 HG CYS 24 HG CYS 24 -8.224 -2.743 2.634 169 HA PRO 25 HA PRO 25 -11.376 -9.147 -0.238 170 HB2 PRO 25 2HB PRO 25 -10.007 -8.010 -2.650 171 HB3 PRO 25 1HB PRO 25 -11.426 -9.058 -2.571 172 HG2 PRO 25 2HG PRO 25 -11.747 -6.498 -3.038 173 HG3 PRO 25 1HG PRO 25 -12.826 -7.332 -1.904 174 HD2 PRO 25 2HD PRO 25 -10.568 -5.467 -1.342 175 HD3 PRO 25 1HD PRO 25 -12.122 -5.651 -0.502 176 H LYS 26 H LYS 26 -10.014 -10.909 -0.799 177 HA LYS 26 HA LYS 26 -7.569 -10.806 0.676 178 HB2 LYS 26 2HB LYS 26 -8.518 -13.075 -1.064 179 HB3 LYS 26 1HB LYS 26 -7.276 -13.161 0.169 180 HG2 LYS 26 2HG LYS 26 -9.091 -14.140 1.217 181 HG3 LYS 26 1HG LYS 26 -9.172 -12.468 1.775 182 HD2 LYS 26 2HD LYS 26 -11.396 -13.119 1.240 183 HD3 LYS 26 1HD LYS 26 -10.898 -12.057 -0.058 184 HE2 LYS 26 2HE LYS 26 -10.995 -15.095 -0.150 185 HE3 LYS 26 1HE LYS 26 -12.147 -14.003 -0.897 186 HZ1 LYS 26 3HZ LYS 26 -10.681 -14.864 -2.531 187 HZ2 LYS 26 1HZ LYS 26 -9.314 -14.485 -1.712 188 HZ3 LYS 26 2HZ LYS 26 -10.272 -13.251 -2.387 189 H THR 27 H THR 27 -8.366 -10.502 -2.628 190 HA THR 27 HA THR 27 -5.801 -11.245 -3.619 191 HB THR 27 HB THR 27 -6.793 -10.157 -5.709 192 HG1 THR 27 1HG THR 27 -8.497 -8.993 -4.994 193 HG21 THR 27 3HG2 THR 27 -8.174 -12.174 -6.136 194 HG22 THR 27 1HG2 THR 27 -8.128 -12.547 -4.414 195 HG23 THR 27 2HG2 THR 27 -6.643 -12.586 -5.366 196 H ASP 28 H ASP 28 -7.112 -8.400 -2.305 197 HA ASP 28 HA ASP 28 -5.262 -6.654 -3.717 198 HB2 ASP 28 2HB ASP 28 -7.311 -6.019 -1.576 199 HB3 ASP 28 1HB ASP 28 -6.250 -4.830 -2.315 200 H SER 29 H SER 29 -3.434 -5.837 -2.896 201 HA SER 29 HA SER 29 -2.789 -6.710 -0.193 202 HB2 SER 29 2HB SER 29 -0.984 -5.845 -2.482 203 HB3 SER 29 1HB SER 29 -0.428 -6.319 -0.873 204 HG SER 29 HG SER 29 -2.036 -7.954 -2.500 205 H LEU 30 H LEU 30 -1.062 -4.825 0.678 206 HA LEU 30 HA LEU 30 -2.642 -2.396 0.282 207 HB2 LEU 30 2HB LEU 30 -1.668 -3.607 2.824 208 HB3 LEU 30 1HB LEU 30 -2.057 -1.909 2.734 209 HG LEU 30 HG LEU 30 -4.009 -4.167 2.187 210 HD11 LEU 30 1HD1 LEU 30 -5.001 -3.433 4.321 211 HD12 LEU 30 2HD1 LEU 30 -3.670 -2.286 4.492 212 HD13 LEU 30 3HD1 LEU 30 -3.341 -4.019 4.545 213 HD21 LEU 30 3HD2 LEU 30 -4.411 -1.209 2.493 214 HD22 LEU 30 1HD2 LEU 30 -5.674 -2.404 2.244 215 HD23 LEU 30 2HD2 LEU 30 -4.508 -2.090 0.958 216 H ALA 31 H ALA 31 -1.631 -0.555 0.151 217 HA ALA 31 HA ALA 31 1.263 -0.561 0.513 218 HB1 ALA 31 1HB ALA 31 -0.267 0.611 -1.817 219 HB2 ALA 31 2HB ALA 31 0.769 -0.819 -1.862 220 HB3 ALA 31 3HB ALA 31 1.474 0.763 -1.537 221 H HIS 32 H HIS 32 2.064 1.321 1.378 222 HA HIS 32 HA HIS 32 0.198 3.528 1.910 223 HB2 HIS 32 2HB HIS 32 1.882 2.313 4.117 224 HB3 HIS 32 1HB HIS 32 0.595 3.515 4.224 225 HD1 HIS 32 1HD HIS 32 1.249 -0.081 4.394 226 HD2 HIS 32 2HD HIS 32 -2.057 2.382 3.878 227 HE1 HIS 32 1HE HIS 32 -0.741 -1.539 4.800 228 HE2 HIS 32 2HE HIS 32 -2.722 -0.082 4.302 229 H CYS 33 H CYS 33 1.427 5.461 2.457 230 HA CYS 33 HA CYS 33 4.206 5.277 1.551 231 HB2 CYS 33 2HB CYS 33 4.002 7.741 1.304 232 HB3 CYS 33 1HB CYS 33 2.812 6.863 0.347 233 HG CYS 33 HG CYS 33 1.928 7.763 3.412 234 H ILE 34 H ILE 34 5.891 5.746 2.923 235 HA ILE 34 HA ILE 34 5.320 6.976 5.468 236 HB ILE 34 HB ILE 34 6.499 5.265 6.802 237 HG12 ILE 34 2HG1 ILE 34 6.583 3.612 4.291 238 HG13 ILE 34 1HG1 ILE 34 7.943 4.514 4.938 239 HG21 ILE 34 1HG2 ILE 34 4.152 5.066 6.717 240 HG22 ILE 34 2HG2 ILE 34 4.908 3.474 6.781 241 HG23 ILE 34 3HG2 ILE 34 4.252 4.087 5.256 242 HD11 ILE 34 3HD1 ILE 34 6.515 2.292 6.381 243 HD12 ILE 34 1HD1 ILE 34 7.903 3.203 6.981 244 HD13 ILE 34 2HD1 ILE 34 8.078 2.161 5.569 245 H SER 35 H SER 35 7.423 7.237 6.635 246 HA SER 35 HA SER 35 9.365 8.276 4.765 247 HB2 SER 35 2HB SER 35 10.277 9.318 6.840 248 HB3 SER 35 1HB SER 35 8.617 9.771 6.457 249 HG SER 35 HG SER 35 7.874 8.505 8.028 250 H GLU 36 H GLU 36 11.703 7.870 5.184 251 HA GLU 36 HA GLU 36 12.095 5.084 5.500 252 HB2 GLU 36 2HB GLU 36 14.549 5.584 5.127 253 HB3 GLU 36 1HB GLU 36 13.441 5.938 3.797 254 HG2 GLU 36 2HG GLU 36 15.124 7.511 3.898 255 HG3 GLU 36 1HG GLU 36 13.681 8.294 4.511 256 H ASP 37 H ASP 37 12.251 7.508 7.704 257 HA ASP 37 HA ASP 37 13.761 5.856 9.614 258 HB2 ASP 37 2HB ASP 37 14.131 8.344 9.522 259 HB3 ASP 37 1HB ASP 37 12.467 8.569 10.032 260 H CYS 38 H CYS 38 10.768 6.008 8.405 261 HA CYS 38 HA CYS 38 8.728 5.301 8.927 262 HB2 CYS 38 2HB CYS 38 10.247 3.691 10.985 263 HB3 CYS 38 1HB CYS 38 8.553 3.424 10.581 264 HG CYS 38 HG CYS 38 10.280 3.465 7.818 265 H ARG 39 H ARG 39 9.168 7.716 9.806 266 HA ARG 39 HA ARG 39 8.352 8.154 12.514 267 HB2 ARG 39 2HB ARG 39 8.384 9.934 10.070 268 HB3 ARG 39 1HB ARG 39 7.924 10.500 11.667 269 HG2 ARG 39 2HG ARG 39 10.584 9.263 11.033 270 HG3 ARG 39 1HG ARG 39 10.267 11.003 11.008 271 HD2 ARG 39 2HD ARG 39 9.654 10.984 13.294 272 HD3 ARG 39 1HD ARG 39 9.777 9.229 13.395 273 HE ARG 39 HE ARG 39 12.163 9.508 12.909 274 HH11 ARG 39 1HH1 ARG 39 10.371 12.205 14.365 275 HH12 ARG 39 2HH1 ARG 39 11.712 12.892 15.134 276 HH21 ARG 39 1HH2 ARG 39 14.016 10.416 13.996 277 HH22 ARG 39 2HH2 ARG 39 13.855 11.848 14.925 278 H MET 40 H MET 40 6.499 7.167 13.006 279 HA MET 40 HA MET 40 4.195 7.983 11.460 280 HB2 MET 40 2HB MET 40 3.218 5.728 11.639 281 HB3 MET 40 1HB MET 40 4.639 5.810 10.608 282 HG2 MET 40 2HG MET 40 6.006 4.887 12.414 283 HG3 MET 40 1HG MET 40 4.589 4.817 13.453 284 HE1 MET 40 3HE MET 40 4.937 3.916 9.601 285 HE2 MET 40 1HE MET 40 5.235 2.182 9.707 286 HE3 MET 40 2HE MET 40 6.429 3.325 10.327 287 H GLY 41 H GLY 41 3.713 9.438 12.995 288 HA2 GLY 41 2HA GLY 41 2.682 8.337 15.523 289 HA3 GLY 41 1HA GLY 41 3.067 10.036 15.233 290 H ALA 42 H ALA 42 1.878 9.463 12.466 291 HA ALA 42 HA ALA 42 -0.950 9.363 13.027 292 HB1 ALA 42 1HB ALA 42 0.390 11.718 11.666 293 HB2 ALA 42 2HB ALA 42 -0.410 11.759 13.240 294 HB3 ALA 42 3HB ALA 42 -1.348 11.459 11.776 295 H GLY 43 H GLY 43 -2.124 9.003 11.047 296 HA2 GLY 43 2HA GLY 43 -2.088 8.658 8.657 297 HA3 GLY 43 1HA GLY 43 -0.412 8.142 8.809 298 H ILE 44 H ILE 44 -2.046 6.501 7.475 299 HA ILE 44 HA ILE 44 -3.375 4.625 9.144 300 HB ILE 44 HB ILE 44 -4.137 4.903 6.853 301 HG12 ILE 44 2HG1 ILE 44 -3.023 2.098 6.954 302 HG13 ILE 44 1HG1 ILE 44 -4.355 2.578 8.022 303 HG21 ILE 44 1HG2 ILE 44 -1.492 3.751 6.024 304 HG22 ILE 44 2HG2 ILE 44 -2.041 5.412 5.744 305 HG23 ILE 44 3HG2 ILE 44 -2.859 4.046 4.959 306 HD11 ILE 44 3HD1 ILE 44 -5.100 1.437 6.149 307 HD12 ILE 44 1HD1 ILE 44 -4.177 2.469 5.067 308 HD13 ILE 44 2HD1 ILE 44 -5.565 3.132 5.977 309 H ALA 45 H ALA 45 -0.096 4.930 8.178 310 HA ALA 45 HA ALA 45 0.760 2.280 8.482 311 HB1 ALA 45 1HB ALA 45 2.196 4.063 7.561 312 HB2 ALA 45 2HB ALA 45 2.968 3.193 8.883 313 HB3 ALA 45 3HB ALA 45 2.287 4.789 9.168 314 H VAL 46 H VAL 46 -0.108 4.671 10.834 315 HA VAL 46 HA VAL 46 1.150 3.536 13.101 316 HB VAL 46 HB VAL 46 -1.351 5.255 13.008 317 HG11 VAL 46 1HG1 VAL 46 0.604 4.776 15.261 318 HG12 VAL 46 2HG1 VAL 46 -1.051 4.171 15.184 319 HG13 VAL 46 3HG1 VAL 46 -0.749 5.905 15.292 320 HG21 VAL 46 3HG2 VAL 46 0.163 7.128 13.386 321 HG22 VAL 46 1HG2 VAL 46 0.510 6.302 11.868 322 HG23 VAL 46 2HG2 VAL 46 1.536 6.029 13.277 323 H LEU 47 H LEU 47 -1.894 2.957 11.512 324 HA LEU 47 HA LEU 47 -3.061 1.218 13.431 325 HB2 LEU 47 2HB LEU 47 -3.474 1.728 10.513 326 HB3 LEU 47 1HB LEU 47 -4.324 0.434 11.338 327 HG LEU 47 HG LEU 47 -4.467 3.252 12.379 328 HD11 LEU 47 1HD1 LEU 47 -5.230 3.246 9.992 329 HD12 LEU 47 2HD1 LEU 47 -6.522 3.548 11.145 330 HD13 LEU 47 3HD1 LEU 47 -6.374 1.963 10.405 331 HD21 LEU 47 3HD2 LEU 47 -6.203 0.833 12.526 332 HD22 LEU 47 1HD2 LEU 47 -6.535 2.375 13.332 333 HD23 LEU 47 2HD2 LEU 47 -5.139 1.391 13.815 334 H PHE 48 H PHE 48 -0.861 0.750 10.795 335 HA PHE 48 HA PHE 48 -1.032 -2.085 10.973 336 HB2 PHE 48 2HB PHE 48 0.696 -0.237 9.339 337 HB3 PHE 48 1HB PHE 48 0.888 -1.997 9.295 338 HD1 PHE 48 2HD PHE 48 -1.733 0.628 8.964 339 HD2 PHE 48 1HD PHE 48 -0.402 -3.238 7.851 340 HE1 PHE 48 2HE PHE 48 -3.651 0.392 7.474 341 HE2 PHE 48 1HE PHE 48 -2.319 -3.461 6.358 342 HZ PHE 48 HZ PHE 48 -3.960 -1.611 6.190 343 H LYS 49 H LYS 49 0.944 0.367 12.315 344 HA LYS 49 HA LYS 49 3.069 -1.114 13.265 345 HB2 LYS 49 2HB LYS 49 2.919 1.313 13.371 346 HB3 LYS 49 1HB LYS 49 1.664 1.187 14.596 347 HG2 LYS 49 2HG LYS 49 3.159 0.386 16.205 348 HG3 LYS 49 1HG LYS 49 4.388 0.010 14.994 349 HD2 LYS 49 2HD LYS 49 5.040 2.012 16.153 350 HD3 LYS 49 1HD LYS 49 4.555 2.322 14.473 351 HE2 LYS 49 2HE LYS 49 2.412 3.191 15.191 352 HE3 LYS 49 1HE LYS 49 2.768 2.804 16.870 353 HZ1 LYS 49 3HZ LYS 49 3.112 5.134 16.476 354 HZ2 LYS 49 1HZ LYS 49 4.134 4.866 15.205 355 HZ3 LYS 49 2HZ LYS 49 4.613 4.451 16.764 356 H LYS 50 H LYS 50 -0.196 -0.709 14.804 357 HA LYS 50 HA LYS 50 0.499 -2.520 16.863 358 HB2 LYS 50 2HB LYS 50 -2.184 -1.468 16.065 359 HB3 LYS 50 1HB LYS 50 -1.951 -2.617 17.360 360 HG2 LYS 50 2HG LYS 50 -2.038 -0.652 18.492 361 HG3 LYS 50 1HG LYS 50 -0.304 -0.854 18.311 362 HD2 LYS 50 2HD LYS 50 -0.864 1.430 17.860 363 HD3 LYS 50 1HD LYS 50 -0.429 0.663 16.328 364 HE2 LYS 50 2HE LYS 50 -2.732 0.396 15.729 365 HE3 LYS 50 1HE LYS 50 -3.267 0.969 17.313 366 HZ1 LYS 50 3HZ LYS 50 -2.336 3.108 16.791 367 HZ2 LYS 50 1HZ LYS 50 -3.458 2.709 15.649 368 HZ3 LYS 50 2HZ LYS 50 -1.817 2.560 15.271 369 H LYS 51 H LYS 51 -1.235 -2.875 13.807 370 HA LYS 51 HA LYS 51 -2.176 -5.442 14.482 371 HB2 LYS 51 2HB LYS 51 -2.220 -3.933 11.915 372 HB3 LYS 51 1HB LYS 51 -2.920 -5.532 12.111 373 HG2 LYS 51 2HG LYS 51 -4.397 -4.702 13.862 374 HG3 LYS 51 1HG LYS 51 -3.683 -3.094 13.706 375 HD2 LYS 51 2HD LYS 51 -4.386 -2.998 11.428 376 HD3 LYS 51 1HD LYS 51 -5.110 -4.601 11.545 377 HE2 LYS 51 2HE LYS 51 -5.956 -2.183 13.178 378 HE3 LYS 51 1HE LYS 51 -6.810 -2.779 11.758 379 HZ1 LYS 51 3HZ LYS 51 -7.255 -4.850 12.958 380 HZ2 LYS 51 1HZ LYS 51 -7.827 -3.542 13.837 381 HZ3 LYS 51 2HZ LYS 51 -6.406 -4.286 14.292 382 H PHE 52 H PHE 52 0.487 -4.397 12.340 383 HA PHE 52 HA PHE 52 1.255 -7.255 12.260 384 HB2 PHE 52 2HB PHE 52 1.906 -5.139 10.219 385 HB3 PHE 52 1HB PHE 52 2.364 -6.831 10.138 386 HD1 PHE 52 2HD PHE 52 0.451 -8.538 10.033 387 HD2 PHE 52 1HD PHE 52 0.001 -4.401 9.322 388 HE1 PHE 52 2HE PHE 52 -1.619 -8.992 8.806 389 HE2 PHE 52 1HE PHE 52 -2.053 -4.798 8.091 390 HZ PHE 52 HZ PHE 52 -2.900 -7.124 7.818 391 H GLY 53 H GLY 53 2.167 -4.027 13.006 392 HA2 GLY 53 2HA GLY 53 4.041 -3.215 14.016 393 HA3 GLY 53 1HA GLY 53 4.731 -4.848 14.011 394 H GLY 54 H GLY 54 6.421 -5.076 12.745 395 HA2 GLY 54 2HA GLY 54 7.501 -5.209 10.727 396 HA3 GLY 54 1HA GLY 54 6.228 -4.240 10.013 397 H VAL 55 H VAL 55 7.075 -2.503 12.589 398 HA VAL 55 HA VAL 55 8.258 -0.451 11.127 399 HB VAL 55 HB VAL 55 8.500 -0.904 14.115 400 HG11 VAL 55 1HG1 VAL 55 8.727 1.527 14.252 401 HG12 VAL 55 2HG1 VAL 55 8.687 1.620 12.487 402 HG13 VAL 55 3HG1 VAL 55 10.025 0.797 13.299 403 HG21 VAL 55 3HG2 VAL 55 6.506 0.511 14.304 404 HG22 VAL 55 1HG2 VAL 55 6.172 -0.977 13.416 405 HG23 VAL 55 2HG2 VAL 55 6.370 0.546 12.547 406 H GLN 56 H GLN 56 9.803 -2.842 13.294 407 HA GLN 56 HA GLN 56 12.447 -1.942 12.736 408 HB2 GLN 56 2HB GLN 56 11.313 -4.424 14.021 409 HB3 GLN 56 1HB GLN 56 13.016 -4.181 13.746 410 HG2 GLN 56 2HG GLN 56 12.292 -3.708 16.074 411 HG3 GLN 56 1HG GLN 56 13.073 -2.346 15.279 412 HE21 GLN 56 1HE2 GLN 56 11.925 -0.483 14.945 413 HE22 GLN 56 2HE2 GLN 56 10.361 -0.221 15.589 414 H GLU 57 H GLU 57 10.317 -4.340 11.426 415 HA GLU 57 HA GLU 57 12.260 -5.644 9.874 416 HB2 GLU 57 2HB GLU 57 9.319 -5.275 9.259 417 HB3 GLU 57 1HB GLU 57 10.375 -6.441 8.477 418 HG2 GLU 57 2HG GLU 57 10.724 -7.545 10.650 419 HG3 GLU 57 1HG GLU 57 9.608 -6.398 11.384 420 H LEU 58 H LEU 58 10.152 -2.915 9.132 421 HA LEU 58 HA LEU 58 11.038 -2.423 6.496 422 HB2 LEU 58 2HB LEU 58 9.954 -0.478 8.532 423 HB3 LEU 58 1HB LEU 58 10.047 -0.209 6.804 424 HG LEU 58 HG LEU 58 8.318 -2.289 8.152 425 HD11 LEU 58 1HD1 LEU 58 7.545 -0.048 8.598 426 HD12 LEU 58 2HD1 LEU 58 6.463 -0.882 7.482 427 HD13 LEU 58 3HD1 LEU 58 7.594 0.327 6.875 428 HD21 LEU 58 3HD2 LEU 58 8.480 -1.434 5.268 429 HD22 LEU 58 1HD2 LEU 58 7.330 -2.575 5.948 430 HD23 LEU 58 2HD2 LEU 58 9.046 -2.977 5.916 431 H LEU 59 H LEU 59 12.000 -1.066 9.622 432 HA LEU 59 HA LEU 59 14.008 0.607 8.594 433 HB2 LEU 59 2HB LEU 59 13.601 -0.506 11.351 434 HB3 LEU 59 1HB LEU 59 14.873 0.629 10.953 435 HG LEU 59 HG LEU 59 11.915 1.181 10.670 436 HD11 LEU 59 1HD1 LEU 59 12.589 0.991 12.998 437 HD12 LEU 59 2HD1 LEU 59 12.244 2.671 12.563 438 HD13 LEU 59 3HD1 LEU 59 13.912 2.126 12.712 439 HD21 LEU 59 3HD2 LEU 59 14.332 2.954 10.353 440 HD22 LEU 59 1HD2 LEU 59 12.657 3.501 10.336 441 HD23 LEU 59 2HD2 LEU 59 13.248 2.433 9.064 442 H ASN 60 H ASN 60 14.076 -2.716 9.612 443 HA ASN 60 HA ASN 60 16.885 -3.005 9.431 444 HB2 ASN 60 2HB ASN 60 14.689 -5.060 9.259 445 HB3 ASN 60 1HB ASN 60 16.352 -5.509 8.948 446 HD21 ASN 60 1HD2 ASN 60 15.450 -3.131 11.367 447 HD22 ASN 60 2HD2 ASN 60 15.860 -4.099 12.726 448 H GLN 61 H GLN 61 14.403 -3.103 7.001 449 HA GLN 61 HA GLN 61 16.005 -4.183 4.906 450 HB2 GLN 61 2HB GLN 61 13.556 -2.415 4.757 451 HB3 GLN 61 1HB GLN 61 14.264 -3.264 3.394 452 HG2 GLN 61 2HG GLN 61 13.752 -5.388 4.422 453 HG3 GLN 61 1HG GLN 61 13.133 -4.570 5.850 454 HE21 GLN 61 1HE2 GLN 61 11.161 -5.451 5.652 455 HE22 GLN 61 2HE2 GLN 61 10.003 -5.029 4.443 456 H GLN 62 H GLN 62 15.654 -1.077 6.318 457 HA GLN 62 HA GLN 62 16.265 0.966 5.842 458 HB2 GLN 62 2HB GLN 62 18.778 -0.447 5.011 459 HB3 GLN 62 1HB GLN 62 18.610 1.295 5.254 460 HG2 GLN 62 2HG GLN 62 17.887 0.941 7.472 461 HG3 GLN 62 1HG GLN 62 18.057 -0.794 7.288 462 HE21 GLN 62 1HE2 GLN 62 19.403 0.983 9.166 463 HE22 GLN 62 2HE2 GLN 62 21.097 0.787 8.894 464 H LYS 63 H LYS 63 14.668 1.011 4.346 465 HA LYS 63 HA LYS 63 15.579 1.298 1.589 466 HB2 LYS 63 2HB LYS 63 12.825 1.481 2.759 467 HB3 LYS 63 1HB LYS 63 13.189 1.472 1.045 468 HG2 LYS 63 2HG LYS 63 13.721 -0.700 3.010 469 HG3 LYS 63 1HG LYS 63 12.418 -0.672 1.806 470 HD2 LYS 63 2HD LYS 63 15.412 -0.771 1.269 471 HD3 LYS 63 1HD LYS 63 14.311 -2.131 1.113 472 HE2 LYS 63 2HE LYS 63 13.120 -1.005 -0.683 473 HE3 LYS 63 1HE LYS 63 14.132 0.421 -0.434 474 HZ1 LYS 63 3HZ LYS 63 16.006 -0.691 -1.228 475 HZ2 LYS 63 1HZ LYS 63 14.795 -0.972 -2.345 476 HZ3 LYS 63 2HZ LYS 63 15.264 -2.206 -1.274 477 H LYS 64 H LYS 64 15.156 3.173 0.476 478 HA LYS 64 HA LYS 64 14.991 5.547 2.200 479 HB2 LYS 64 2HB LYS 64 16.830 5.149 -0.114 480 HB3 LYS 64 1HB LYS 64 16.668 6.659 0.756 481 HG2 LYS 64 2HG LYS 64 17.766 4.049 1.821 482 HG3 LYS 64 1HG LYS 64 18.662 5.544 1.558 483 HD2 LYS 64 2HD LYS 64 17.309 6.644 3.300 484 HD3 LYS 64 1HD LYS 64 16.435 5.136 3.564 485 HE2 LYS 64 2HE LYS 64 18.588 4.062 4.161 486 HE3 LYS 64 1HE LYS 64 19.367 5.639 4.019 487 HZ1 LYS 64 3HZ LYS 64 17.742 6.418 5.766 488 HZ2 LYS 64 1HZ LYS 64 18.881 5.297 6.281 489 HZ3 LYS 64 2HZ LYS 64 17.310 4.798 5.979 490 H SER 65 H SER 65 14.831 7.573 0.798 491 HA SER 65 HA SER 65 12.282 7.734 -0.243 492 HB2 SER 65 2HB SER 65 14.660 9.486 -0.917 493 HB3 SER 65 1HB SER 65 12.967 9.924 -1.117 494 HG SER 65 HG SER 65 14.140 9.231 1.385 495 H GLY 66 H GLY 66 11.451 6.804 -2.005 496 HA2 GLY 66 2HA GLY 66 11.289 6.717 -4.398 497 HA3 GLY 66 1HA GLY 66 13.043 6.800 -4.488 498 H GLU 67 H GLU 67 12.449 4.750 -2.016 499 HA GLU 67 HA GLU 67 12.372 2.406 -3.741 500 HB2 GLU 67 2HB GLU 67 13.653 2.742 -1.024 501 HB3 GLU 67 1HB GLU 67 13.596 1.284 -2.014 502 HG2 GLU 67 2HG GLU 67 14.971 2.328 -3.691 503 HG3 GLU 67 1HG GLU 67 14.997 3.828 -2.761 504 H VAL 68 H VAL 68 11.455 0.516 -2.572 505 HA VAL 68 HA VAL 68 9.244 1.399 -0.853 506 HB VAL 68 HB VAL 68 8.516 0.806 -3.171 507 HG11 VAL 68 1HG1 VAL 68 10.136 -0.924 -3.688 508 HG12 VAL 68 2HG1 VAL 68 8.487 -1.524 -3.906 509 HG13 VAL 68 3HG1 VAL 68 9.414 -1.975 -2.474 510 HG21 VAL 68 3HG2 VAL 68 6.674 -0.618 -2.564 511 HG22 VAL 68 1HG2 VAL 68 6.957 0.597 -1.317 512 HG23 VAL 68 2HG2 VAL 68 7.488 -1.072 -1.057 513 H ALA 69 H ALA 69 8.868 0.253 0.937 514 HA ALA 69 HA ALA 69 10.591 -2.046 1.515 515 HB1 ALA 69 1HB ALA 69 10.746 -0.170 3.100 516 HB2 ALA 69 2HB ALA 69 10.046 -1.591 3.874 517 HB3 ALA 69 3HB ALA 69 9.012 -0.249 3.380 518 H VAL 70 H VAL 70 9.579 -3.979 2.314 519 HA VAL 70 HA VAL 70 6.674 -4.006 1.975 520 HB VAL 70 HB VAL 70 7.605 -4.616 -0.203 521 HG11 VAL 70 1HG1 VAL 70 8.813 -6.720 -0.570 522 HG12 VAL 70 2HG1 VAL 70 8.896 -6.960 1.175 523 HG13 VAL 70 3HG1 VAL 70 9.720 -5.587 0.430 524 HG21 VAL 70 3HG2 VAL 70 5.460 -5.577 0.383 525 HG22 VAL 70 1HG2 VAL 70 6.253 -6.948 1.167 526 HG23 VAL 70 2HG2 VAL 70 6.385 -6.729 -0.576 527 H LEU 71 H LEU 71 5.571 -5.519 3.058 528 HA LEU 71 HA LEU 71 7.065 -7.270 4.916 529 HB2 LEU 71 2HB LEU 71 4.333 -6.020 5.335 530 HB3 LEU 71 1HB LEU 71 5.099 -7.107 6.436 531 HG LEU 71 HG LEU 71 6.080 -4.333 5.780 532 HD11 LEU 71 1HD1 LEU 71 5.464 -3.818 8.067 533 HD12 LEU 71 2HD1 LEU 71 4.863 -5.461 8.301 534 HD13 LEU 71 3HD1 LEU 71 4.060 -4.386 7.163 535 HD21 LEU 71 3HD2 LEU 71 7.957 -5.831 6.248 536 HD22 LEU 71 1HD2 LEU 71 7.167 -6.373 7.731 537 HD23 LEU 71 2HD2 LEU 71 7.706 -4.705 7.575 538 H LYS 72 H LYS 72 6.609 -9.384 4.777 539 HA LYS 72 HA LYS 72 4.697 -10.134 2.738 540 HB2 LYS 72 2HB LYS 72 6.824 -11.724 4.115 541 HB3 LYS 72 1HB LYS 72 5.699 -12.365 2.917 542 HG2 LYS 72 2HG LYS 72 6.488 -10.908 1.279 543 HG3 LYS 72 1HG LYS 72 7.433 -10.042 2.478 544 HD2 LYS 72 2HD LYS 72 8.904 -11.563 1.131 545 HD3 LYS 72 1HD LYS 72 8.827 -12.107 2.805 546 HE2 LYS 72 2HE LYS 72 7.045 -13.721 2.142 547 HE3 LYS 72 1HE LYS 72 7.260 -13.207 0.474 548 HZ1 LYS 72 3HZ LYS 72 9.568 -13.991 0.604 549 HZ2 LYS 72 1HZ LYS 72 8.476 -15.218 0.901 550 HZ3 LYS 72 2HZ LYS 72 9.302 -14.510 2.181 551 H ARG 73 H ARG 73 3.011 -11.026 3.052 552 HA ARG 73 HA ARG 73 2.342 -12.231 5.684 553 HB2 ARG 73 2HB ARG 73 0.472 -10.656 3.899 554 HB3 ARG 73 1HB ARG 73 0.028 -11.448 5.405 555 HG2 ARG 73 2HG ARG 73 1.976 -9.157 5.129 556 HG3 ARG 73 1HG ARG 73 0.310 -9.031 5.696 557 HD2 ARG 73 2HD ARG 73 2.515 -10.618 7.017 558 HD3 ARG 73 1HD ARG 73 1.903 -9.058 7.559 559 HE ARG 73 HE ARG 73 -0.267 -10.711 7.380 560 HH11 ARG 73 1HH1 ARG 73 2.748 -10.683 9.252 561 HH12 ARG 73 2HH1 ARG 73 2.085 -11.455 10.608 562 HH21 ARG 73 1HH2 ARG 73 -1.191 -11.776 9.269 563 HH22 ARG 73 2HH2 ARG 73 -0.201 -12.084 10.618 564 H ASP 74 H ASP 74 3.030 -12.873 2.680 565 HA ASP 74 HA ASP 74 2.652 -14.383 1.098 566 HB2 ASP 74 2HB ASP 74 1.665 -16.045 3.424 567 HB3 ASP 74 1HB ASP 74 1.926 -16.693 1.807 568 H GLY 75 H GLY 75 1.368 -13.798 -0.377 569 HA2 GLY 75 2HA GLY 75 -0.717 -14.098 -1.523 570 HA3 GLY 75 1HA GLY 75 -1.516 -14.135 0.055 571 H ARG 76 H ARG 76 -0.549 -12.049 1.392 572 HA ARG 76 HA ARG 76 -1.172 -9.763 -0.314 573 HB2 ARG 76 2HB ARG 76 -1.389 -9.990 2.689 574 HB3 ARG 76 1HB ARG 76 -1.775 -8.576 1.733 575 HG2 ARG 76 2HG ARG 76 -3.615 -9.898 0.679 576 HG3 ARG 76 1HG ARG 76 -3.269 -11.186 1.849 577 HD2 ARG 76 2HD ARG 76 -3.521 -9.545 3.655 578 HD3 ARG 76 1HD ARG 76 -4.003 -8.336 2.476 579 HE ARG 76 HE ARG 76 -5.503 -10.691 3.332 580 HH11 ARG 76 1HH1 ARG 76 -5.469 -7.817 1.236 581 HH12 ARG 76 2HH1 ARG 76 -7.141 -7.609 1.258 582 HH21 ARG 76 1HH2 ARG 76 -7.832 -10.331 3.392 583 HH22 ARG 76 2HH2 ARG 76 -8.534 -9.018 2.545 584 H TYR 77 H TYR 77 0.239 -8.126 -0.267 585 HA TYR 77 HA TYR 77 2.587 -8.419 1.441 586 HB2 TYR 77 2HB TYR 77 2.516 -7.591 -1.477 587 HB3 TYR 77 1HB TYR 77 3.932 -7.430 -0.441 588 HD1 TYR 77 2HD TYR 77 1.660 -9.875 -2.055 589 HD2 TYR 77 1HD TYR 77 5.285 -9.305 0.090 590 HE1 TYR 77 2HE TYR 77 2.293 -12.205 -2.518 591 HE2 TYR 77 1HE TYR 77 5.924 -11.617 -0.367 592 HH TYR 77 HH TYR 77 4.342 -13.563 -2.633 593 H ILE 78 H ILE 78 3.089 -6.653 2.573 594 HA ILE 78 HA ILE 78 1.284 -4.387 2.167 595 HB ILE 78 HB ILE 78 3.160 -4.787 4.521 596 HG12 ILE 78 2HG1 ILE 78 1.715 -6.789 4.383 597 HG13 ILE 78 1HG1 ILE 78 1.300 -5.795 5.772 598 HG21 ILE 78 1HG2 ILE 78 0.594 -3.250 4.187 599 HG22 ILE 78 2HG2 ILE 78 2.223 -2.563 4.273 600 HG23 ILE 78 3HG2 ILE 78 1.517 -3.373 5.678 601 HD11 ILE 78 3HD1 ILE 78 -0.600 -4.884 4.525 602 HD12 ILE 78 1HD1 ILE 78 -0.672 -6.648 4.688 603 HD13 ILE 78 2HD1 ILE 78 -0.158 -5.918 3.159 604 H TYR 79 H TYR 79 2.070 -2.673 1.201 605 HA TYR 79 HA TYR 79 4.956 -2.451 0.846 606 HB2 TYR 79 2HB TYR 79 2.696 -1.306 -0.777 607 HB3 TYR 79 1HB TYR 79 4.401 -0.954 -1.048 608 HD1 TYR 79 2HD TYR 79 5.891 -2.639 -1.843 609 HD2 TYR 79 1HD TYR 79 1.763 -3.426 -1.342 610 HE1 TYR 79 2HE TYR 79 6.134 -4.651 -3.170 611 HE2 TYR 79 1HE TYR 79 1.965 -5.451 -2.659 612 HH TYR 79 HH TYR 79 3.483 -6.466 -4.301 613 H TYR 80 H TYR 80 6.018 -0.717 1.224 614 HA TYR 80 HA TYR 80 4.636 1.557 2.351 615 HB2 TYR 80 2HB TYR 80 7.065 0.140 3.411 616 HB3 TYR 80 1HB TYR 80 6.602 1.751 3.941 617 HD1 TYR 80 1HD TYR 80 4.559 2.063 5.262 618 HD2 TYR 80 2HD TYR 80 5.874 -1.815 4.131 619 HE1 TYR 80 1HE TYR 80 3.033 1.074 6.913 620 HE2 TYR 80 2HE TYR 80 4.369 -2.816 5.782 621 HH TYR 80 HH TYR 80 3.240 -2.119 7.896 622 H LEU 81 H LEU 81 4.822 2.873 0.704 623 HA LEU 81 HA LEU 81 7.115 3.115 -0.999 624 HB2 LEU 81 2HB LEU 81 4.726 4.907 -0.545 625 HB3 LEU 81 1HB LEU 81 5.867 5.088 -1.843 626 HG LEU 81 HG LEU 81 3.950 4.199 -2.774 627 HD11 LEU 81 1HD1 LEU 81 4.531 1.963 -3.578 628 HD12 LEU 81 2HD1 LEU 81 5.837 1.921 -2.401 629 HD13 LEU 81 3HD1 LEU 81 5.850 3.126 -3.686 630 HD21 LEU 81 3HD2 LEU 81 2.766 2.212 -2.050 631 HD22 LEU 81 1HD2 LEU 81 2.761 3.459 -0.806 632 HD23 LEU 81 2HD2 LEU 81 3.838 2.062 -0.653 633 H ILE 82 H ILE 82 8.919 4.128 -0.346 634 HA ILE 82 HA ILE 82 8.761 5.980 1.917 635 HB ILE 82 HB ILE 82 11.197 5.141 0.344 636 HG12 ILE 82 2HG1 ILE 82 10.150 3.122 1.363 637 HG13 ILE 82 1HG1 ILE 82 11.700 3.508 2.091 638 HG21 ILE 82 1HG2 ILE 82 12.393 5.926 2.262 639 HG22 ILE 82 2HG2 ILE 82 10.864 6.298 3.101 640 HG23 ILE 82 3HG2 ILE 82 11.344 7.196 1.652 641 HD11 ILE 82 3HD1 ILE 82 10.522 4.496 4.010 642 HD12 ILE 82 1HD1 ILE 82 10.131 2.803 3.758 643 HD13 ILE 82 2HD1 ILE 82 8.977 4.052 3.278 644 H THR 83 H THR 83 8.152 7.903 1.423 645 HA THR 83 HA THR 83 8.844 9.002 -1.133 646 HB THR 83 HB THR 83 7.530 10.988 -0.266 647 HG1 THR 83 1HG THR 83 6.075 10.200 1.520 648 HG21 THR 83 3HG2 THR 83 6.565 9.334 -1.780 649 HG22 THR 83 1HG2 THR 83 5.369 9.869 -0.601 650 HG23 THR 83 2HG2 THR 83 6.154 8.296 -0.409 651 H LYS 84 H LYS 84 9.401 9.820 2.291 652 HA LYS 84 HA LYS 84 11.934 11.048 1.580 653 HB2 LYS 84 2HB LYS 84 9.700 12.503 2.991 654 HB3 LYS 84 1HB LYS 84 11.362 13.051 3.043 655 HG2 LYS 84 2HG LYS 84 9.681 12.770 0.551 656 HG3 LYS 84 1HG LYS 84 10.026 14.284 1.389 657 HD2 LYS 84 2HD LYS 84 12.410 14.005 0.941 658 HD3 LYS 84 1HD LYS 84 12.094 12.459 0.148 659 HE2 LYS 84 2HE LYS 84 10.778 13.622 -1.547 660 HE3 LYS 84 1HE LYS 84 11.109 15.159 -0.747 661 HZ1 LYS 84 3HZ LYS 84 13.168 13.353 -1.903 662 HZ2 LYS 84 1HZ LYS 84 13.468 14.850 -1.205 663 HZ3 LYS 84 2HZ LYS 84 12.594 14.744 -2.632 664 H LYS 85 H LYS 85 12.892 11.953 3.793 665 HA LYS 85 HA LYS 85 13.416 9.692 5.489 666 HB2 LYS 85 2HB LYS 85 14.017 12.600 5.986 667 HB3 LYS 85 1HB LYS 85 14.708 11.243 6.849 668 HG2 LYS 85 2HG LYS 85 15.753 10.510 4.730 669 HG3 LYS 85 1HG LYS 85 15.122 11.977 3.975 670 HD2 LYS 85 2HD LYS 85 16.319 13.315 5.677 671 HD3 LYS 85 1HD LYS 85 17.042 11.824 6.286 672 HE2 LYS 85 2HE LYS 85 17.972 11.420 4.015 673 HE3 LYS 85 1HE LYS 85 17.299 12.986 3.551 674 HZ1 LYS 85 3HZ LYS 85 18.707 14.067 5.168 675 HZ2 LYS 85 1HZ LYS 85 19.650 13.136 4.123 676 HZ3 LYS 85 2HZ LYS 85 19.320 12.582 5.677 677 H ARG 86 H ARG 86 11.495 12.607 6.019 678 HA ARG 86 HA ARG 86 10.464 11.353 8.442 679 HB2 ARG 86 2HB ARG 86 11.204 14.219 7.916 680 HB3 ARG 86 1HB ARG 86 10.017 13.831 9.143 681 HG2 ARG 86 2HG ARG 86 12.356 14.243 9.902 682 HG3 ARG 86 1HG ARG 86 11.671 12.689 10.476 683 HD2 ARG 86 2HD ARG 86 12.916 11.650 8.629 684 HD3 ARG 86 1HD ARG 86 13.550 13.236 8.220 685 HE ARG 86 HE ARG 86 14.367 13.080 10.685 686 HH11 ARG 86 1HH1 ARG 86 14.349 10.333 8.322 687 HH12 ARG 86 2HH1 ARG 86 15.724 9.638 8.948 688 HH21 ARG 86 1HH2 ARG 86 16.323 12.017 11.503 689 HH22 ARG 86 2HH2 ARG 86 16.870 10.572 10.764 690 H ALA 87 H ALA 87 8.175 11.847 8.878 691 HA ALA 87 HA ALA 87 6.636 11.889 6.468 692 HB1 ALA 87 1HB ALA 87 5.987 10.530 8.424 693 HB2 ALA 87 2HB ALA 87 4.699 11.626 7.921 694 HB3 ALA 87 3HB ALA 87 5.682 12.014 9.327 695 H SER 88 H SER 88 7.882 14.273 8.408 696 HA SER 88 HA SER 88 5.869 16.252 7.726 697 HB2 SER 88 2HB SER 88 8.480 16.544 9.212 698 HB3 SER 88 1HB SER 88 7.162 17.723 9.163 699 HG SER 88 HG SER 88 5.870 15.850 10.009 700 H HIS 89 H HIS 89 8.121 14.772 5.952 701 HA HIS 89 HA HIS 89 9.174 17.170 4.675 702 HB2 HIS 89 2HB HIS 89 9.898 14.252 4.284 703 HB3 HIS 89 1HB HIS 89 10.541 15.561 3.339 704 HD1 HIS 89 1HD HIS 89 12.742 14.148 4.581 705 HD2 HIS 89 2HD HIS 89 10.592 16.988 6.671 706 HE1 HIS 89 1HE HIS 89 14.184 14.717 6.533 707 HE2 HIS 89 2HE HIS 89 13.020 16.721 7.557 708 H LYS 90 H LYS 90 8.765 17.526 2.590 709 HA LYS 90 HA LYS 90 6.208 16.464 1.742 710 HB2 LYS 90 2HB LYS 90 6.158 18.187 0.018 711 HB3 LYS 90 1HB LYS 90 6.570 18.895 1.565 712 HG2 LYS 90 2HG LYS 90 8.921 18.999 0.888 713 HG3 LYS 90 1HG LYS 90 8.498 18.272 -0.661 714 HD2 LYS 90 2HD LYS 90 6.982 20.182 -1.096 715 HD3 LYS 90 1HD LYS 90 7.518 20.918 0.410 716 HE2 LYS 90 2HE LYS 90 8.710 21.879 -1.474 717 HE3 LYS 90 1HE LYS 90 9.823 20.970 -0.450 718 HZ1 LYS 90 3HZ LYS 90 10.189 20.528 -2.819 719 HZ2 LYS 90 1HZ LYS 90 8.617 19.983 -2.984 720 HZ3 LYS 90 2HZ LYS 90 9.691 19.137 -2.017 721 HA PRO 91 HA PRO 91 7.934 13.480 -1.066 722 HB2 PRO 91 2HB PRO 91 5.612 12.894 -2.369 723 HB3 PRO 91 1HB PRO 91 5.975 12.264 -0.760 724 HG2 PRO 91 2HG PRO 91 4.249 14.570 -1.545 725 HG3 PRO 91 1HG PRO 91 3.974 13.333 -0.306 726 HD2 PRO 91 2HD PRO 91 4.851 15.824 0.270 727 HD3 PRO 91 1HD PRO 91 5.305 14.405 1.235 728 H THR 92 H THR 92 8.641 13.577 -3.302 729 HA THR 92 HA THR 92 7.954 16.042 -4.623 730 HB THR 92 HB THR 92 10.134 13.988 -5.069 731 HG1 THR 92 1HG THR 92 11.434 15.504 -4.161 732 HG21 THR 92 3HG2 THR 92 11.219 15.728 -6.314 733 HG22 THR 92 1HG2 THR 92 9.860 16.821 -5.975 734 HG23 THR 92 2HG2 THR 92 9.600 15.361 -6.947 735 H TYR 93 H TYR 93 7.322 15.746 -6.923 736 HA TYR 93 HA TYR 93 5.749 13.486 -7.347 737 HB2 TYR 93 2HB TYR 93 6.786 15.513 -9.341 738 HB3 TYR 93 1HB TYR 93 5.671 14.228 -9.773 739 HD1 TYR 93 2HD TYR 93 3.488 14.131 -8.215 740 HD2 TYR 93 1HD TYR 93 5.884 17.600 -8.810 741 HE1 TYR 93 2HE TYR 93 1.583 15.548 -7.599 742 HE2 TYR 93 1HE TYR 93 3.987 19.019 -8.193 743 HH TYR 93 HH TYR 93 1.591 18.927 -8.137 744 H GLU 94 H GLU 94 9.104 14.145 -8.135 745 HA GLU 94 HA GLU 94 9.602 11.939 -9.772 746 HB2 GLU 94 2HB GLU 94 11.147 13.802 -9.501 747 HB3 GLU 94 1HB GLU 94 11.400 13.355 -7.818 748 HG2 GLU 94 2HG GLU 94 12.256 11.207 -8.552 749 HG3 GLU 94 1HG GLU 94 12.120 11.749 -10.230 750 H ASN 95 H ASN 95 9.987 12.354 -6.241 751 HA ASN 95 HA ASN 95 10.856 9.757 -5.668 752 HB2 ASN 95 2HB ASN 95 9.373 11.724 -3.922 753 HB3 ASN 95 1HB ASN 95 10.026 10.199 -3.341 754 HD21 ASN 95 1HD2 ASN 95 12.208 9.978 -3.145 755 HD22 ASN 95 2HD2 ASN 95 13.300 11.320 -3.209 756 H LEU 96 H LEU 96 7.654 11.176 -5.820 757 HA LEU 96 HA LEU 96 6.179 9.009 -4.955 758 HB2 LEU 96 2HB LEU 96 5.319 11.278 -5.346 759 HB3 LEU 96 1HB LEU 96 5.512 11.054 -7.067 760 HG LEU 96 HG LEU 96 3.759 9.318 -7.033 761 HD11 LEU 96 1HD1 LEU 96 4.057 8.517 -4.743 762 HD12 LEU 96 2HD1 LEU 96 2.394 9.031 -5.018 763 HD13 LEU 96 3HD1 LEU 96 3.500 10.070 -4.119 764 HD21 LEU 96 3HD2 LEU 96 3.239 11.666 -7.470 765 HD22 LEU 96 1HD2 LEU 96 2.954 11.929 -5.754 766 HD23 LEU 96 2HD2 LEU 96 1.907 10.845 -6.679 767 H GLN 97 H GLN 97 7.176 9.827 -8.338 768 HA GLN 97 HA GLN 97 6.111 7.639 -9.681 769 HB2 GLN 97 2HB GLN 97 8.767 8.994 -10.166 770 HB3 GLN 97 1HB GLN 97 7.900 7.989 -11.307 771 HG2 GLN 97 2HG GLN 97 6.133 9.624 -11.448 772 HG3 GLN 97 1HG GLN 97 6.930 10.571 -10.185 773 HE21 GLN 97 1HE2 GLN 97 6.243 11.266 -12.950 774 HE22 GLN 97 2HE2 GLN 97 7.723 11.793 -13.673 775 H LYS 98 H LYS 98 9.255 8.051 -8.228 776 HA LYS 98 HA LYS 98 10.332 5.593 -8.929 777 HB2 LYS 98 2HB LYS 98 11.046 7.356 -6.597 778 HB3 LYS 98 1HB LYS 98 11.986 5.953 -7.087 779 HG2 LYS 98 2HG LYS 98 12.303 6.953 -9.288 780 HG3 LYS 98 1HG LYS 98 11.417 8.383 -8.760 781 HD2 LYS 98 2HD LYS 98 13.111 8.829 -7.082 782 HD3 LYS 98 1HD LYS 98 13.965 7.347 -7.517 783 HE2 LYS 98 2HE LYS 98 14.275 8.234 -9.803 784 HE3 LYS 98 1HE LYS 98 13.500 9.734 -9.310 785 HZ1 LYS 98 3HZ LYS 98 15.315 10.060 -7.698 786 HZ2 LYS 98 1HZ LYS 98 15.909 9.906 -9.268 787 HZ3 LYS 98 2HZ LYS 98 16.007 8.614 -8.218 788 H SER 99 H SER 99 8.557 6.409 -5.996 789 HA SER 99 HA SER 99 8.899 3.864 -4.802 790 HB2 SER 99 2HB SER 99 7.086 4.570 -3.282 791 HB3 SER 99 1HB SER 99 8.320 5.792 -3.456 792 HG SER 99 HG SER 99 6.640 6.546 -5.253 793 H LEU 100 H LEU 100 6.259 5.166 -6.888 794 HA LEU 100 HA LEU 100 4.609 2.852 -6.894 795 HB2 LEU 100 2HB LEU 100 5.020 5.203 -8.746 796 HB3 LEU 100 1HB LEU 100 3.940 3.904 -9.171 797 HG LEU 100 HG LEU 100 2.929 6.018 -8.229 798 HD11 LEU 100 1HD1 LEU 100 1.245 4.780 -6.899 799 HD12 LEU 100 2HD1 LEU 100 2.327 3.386 -6.884 800 HD13 LEU 100 3HD1 LEU 100 1.666 3.980 -8.409 801 HD21 LEU 100 3HD2 LEU 100 2.776 6.211 -5.786 802 HD22 LEU 100 1HD2 LEU 100 4.430 6.421 -6.361 803 HD23 LEU 100 2HD2 LEU 100 3.941 4.897 -5.619 804 H GLU 101 H GLU 101 7.366 3.759 -8.908 805 HA GLU 101 HA GLU 101 7.144 1.685 -10.820 806 HB2 GLU 101 2HB GLU 101 9.653 2.879 -9.698 807 HB3 GLU 101 1HB GLU 101 9.542 1.956 -11.181 808 HG2 GLU 101 2HG GLU 101 8.041 3.659 -12.028 809 HG3 GLU 101 1HG GLU 101 8.356 4.632 -10.593 810 H ALA 102 H ALA 102 9.019 1.929 -7.954 811 HA ALA 102 HA ALA 102 10.192 -0.627 -7.890 812 HB1 ALA 102 1HB ALA 102 10.869 1.261 -6.418 813 HB2 ALA 102 2HB ALA 102 10.600 -0.245 -5.531 814 HB3 ALA 102 3HB ALA 102 9.378 1.011 -5.493 815 H MET 103 H MET 103 7.182 0.558 -6.518 816 HA MET 103 HA MET 103 6.405 -1.796 -5.323 817 HB2 MET 103 2HB MET 103 5.455 0.253 -4.625 818 HB3 MET 103 1HB MET 103 4.883 0.621 -6.245 819 HG2 MET 103 2HG MET 103 3.287 -0.838 -6.182 820 HG3 MET 103 1HG MET 103 3.872 -1.778 -4.766 821 HE1 MET 103 3HE MET 103 3.322 2.070 -5.522 822 HE2 MET 103 1HE MET 103 1.716 2.308 -4.835 823 HE3 MET 103 2HE MET 103 1.936 1.230 -6.222 824 H LYS 104 H LYS 104 5.885 -0.646 -8.673 825 HA LYS 104 HA LYS 104 4.080 -2.576 -9.545 826 HB2 LYS 104 2HB LYS 104 6.400 -1.366 -10.978 827 HB3 LYS 104 1HB LYS 104 5.173 -2.363 -11.738 828 HG2 LYS 104 2HG LYS 104 3.561 -0.617 -10.821 829 HG3 LYS 104 1HG LYS 104 5.013 0.348 -10.587 830 HD2 LYS 104 2HD LYS 104 4.254 -0.937 -13.179 831 HD3 LYS 104 1HD LYS 104 3.820 0.688 -12.687 832 HE2 LYS 104 2HE LYS 104 5.765 0.784 -14.199 833 HE3 LYS 104 1HE LYS 104 6.295 1.239 -12.593 834 HZ1 LYS 104 3HZ LYS 104 7.861 -0.248 -13.750 835 HZ2 LYS 104 1HZ LYS 104 6.710 -1.422 -13.895 836 HZ3 LYS 104 2HZ LYS 104 7.319 -1.020 -12.376 837 H SER 105 H SER 105 7.621 -2.511 -9.578 838 HA SER 105 HA SER 105 8.075 -4.868 -10.958 839 HB2 SER 105 2HB SER 105 9.760 -3.097 -10.616 840 HB3 SER 105 1HB SER 105 9.872 -3.548 -8.919 841 HG SER 105 HG SER 105 11.031 -4.642 -11.073 842 H HIS 106 H HIS 106 7.848 -4.285 -7.485 843 HA HIS 106 HA HIS 106 8.597 -6.919 -6.802 844 HB2 HIS 106 2HB HIS 106 8.723 -5.036 -5.196 845 HB3 HIS 106 1HB HIS 106 6.960 -5.028 -5.141 846 HD1 HIS 106 1HD HIS 106 5.986 -6.403 -3.329 847 HD2 HIS 106 2HD HIS 106 9.562 -7.847 -4.723 848 HE1 HIS 106 1HE HIS 106 6.411 -8.277 -1.892 849 HE2 HIS 106 2HE HIS 106 8.789 -9.077 -2.529 850 H CYS 107 H CYS 107 5.489 -5.412 -7.426 851 HA CYS 107 HA CYS 107 3.948 -7.527 -6.483 852 HB2 CYS 107 2HB CYS 107 3.420 -5.428 -8.551 853 HB3 CYS 107 1HB CYS 107 2.155 -6.501 -7.980 854 HG CYS 107 HG CYS 107 3.605 -3.862 -6.547 855 H LEU 108 H LEU 108 5.232 -6.832 -9.739 856 HA LEU 108 HA LEU 108 4.269 -9.056 -11.048 857 HB2 LEU 108 2HB LEU 108 6.735 -7.418 -11.350 858 HB3 LEU 108 1HB LEU 108 6.497 -8.842 -12.327 859 HG LEU 108 HG LEU 108 4.522 -7.847 -13.342 860 HD11 LEU 108 1HD1 LEU 108 3.901 -5.535 -12.940 861 HD12 LEU 108 2HD1 LEU 108 5.096 -5.442 -11.641 862 HD13 LEU 108 3HD1 LEU 108 3.714 -6.522 -11.485 863 HD21 LEU 108 3HD2 LEU 108 5.669 -6.057 -14.545 864 HD22 LEU 108 1HD2 LEU 108 6.693 -7.488 -14.287 865 HD23 LEU 108 2HD2 LEU 108 6.900 -6.076 -13.263 866 H LYS 109 H LYS 109 7.194 -8.766 -8.945 867 HA LYS 109 HA LYS 109 8.254 -11.279 -9.641 868 HB2 LYS 109 2HB LYS 109 8.575 -9.696 -7.100 869 HB3 LYS 109 1HB LYS 109 9.603 -11.035 -7.605 870 HG2 LYS 109 2HG LYS 109 10.090 -9.786 -9.634 871 HG3 LYS 109 1HG LYS 109 9.210 -8.428 -8.973 872 HD2 LYS 109 2HD LYS 109 10.721 -8.298 -7.049 873 HD3 LYS 109 1HD LYS 109 11.635 -9.679 -7.658 874 HE2 LYS 109 2HE LYS 109 12.213 -8.400 -9.667 875 HE3 LYS 109 1HE LYS 109 11.321 -7.016 -9.042 876 HZ1 LYS 109 3HZ LYS 109 13.697 -8.247 -7.747 877 HZ2 LYS 109 1HZ LYS 109 12.851 -6.921 -7.177 878 HZ3 LYS 109 2HZ LYS 109 13.695 -6.804 -8.626 879 H ASN 110 H ASN 110 5.741 -10.403 -7.718 880 HA ASN 110 HA ASN 110 5.663 -13.080 -6.435 881 HB2 ASN 110 2HB ASN 110 4.640 -10.483 -5.326 882 HB3 ASN 110 1HB ASN 110 4.305 -12.048 -4.590 883 HD21 ASN 110 1HD2 ASN 110 6.778 -9.755 -5.414 884 HD22 ASN 110 2HD2 ASN 110 7.979 -10.383 -4.342 885 H GLY 111 H GLY 111 4.185 -11.508 -8.826 886 HA2 GLY 111 2HA GLY 111 2.327 -12.109 -10.058 887 HA3 GLY 111 1HA GLY 111 2.012 -13.375 -8.881 888 H VAL 112 H VAL 112 2.349 -10.062 -7.928 889 HA VAL 112 HA VAL 112 -0.382 -10.061 -6.932 890 HB VAL 112 HB VAL 112 1.836 -8.011 -6.584 891 HG11 VAL 112 1HG1 VAL 112 -0.371 -7.010 -6.303 892 HG12 VAL 112 2HG1 VAL 112 0.483 -7.095 -4.762 893 HG13 VAL 112 3HG1 VAL 112 -0.797 -8.253 -5.128 894 HG21 VAL 112 3HG2 VAL 112 2.073 -8.916 -4.321 895 HG22 VAL 112 1HG2 VAL 112 2.413 -10.129 -5.556 896 HG23 VAL 112 2HG2 VAL 112 0.871 -10.152 -4.699 897 H THR 113 H THR 113 -1.945 -8.887 -7.821 898 HA THR 113 HA THR 113 -1.313 -6.869 -9.879 899 HB THR 113 HB THR 113 -1.584 -9.074 -11.042 900 HG1 THR 113 1HG THR 113 -2.187 -7.644 -12.389 901 HG21 THR 113 3HG2 THR 113 -3.103 -10.177 -9.513 902 HG22 THR 113 1HG2 THR 113 -3.819 -10.097 -11.125 903 HG23 THR 113 2HG2 THR 113 -4.359 -8.987 -9.871 904 H ASP 114 H ASP 114 -3.090 -7.758 -7.170 905 HA ASP 114 HA ASP 114 -4.922 -5.555 -7.762 906 HB2 ASP 114 2HB ASP 114 -5.460 -7.953 -5.959 907 HB3 ASP 114 1HB ASP 114 -6.547 -6.595 -6.204 908 H LEU 115 H LEU 115 -4.629 -3.860 -6.455 909 HA LEU 115 HA LEU 115 -3.221 -4.310 -3.942 910 HB2 LEU 115 2HB LEU 115 -1.644 -3.824 -5.808 911 HB3 LEU 115 1HB LEU 115 -2.449 -2.289 -6.029 912 HG LEU 115 HG LEU 115 -1.847 -1.781 -3.649 913 HD11 LEU 115 1HD1 LEU 115 -1.408 -3.938 -2.828 914 HD12 LEU 115 2HD1 LEU 115 0.054 -2.967 -2.705 915 HD13 LEU 115 3HD1 LEU 115 -0.088 -4.171 -3.989 916 HD21 LEU 115 3HD2 LEU 115 0.367 -2.173 -5.664 917 HD22 LEU 115 1HD2 LEU 115 0.461 -1.135 -4.242 918 HD23 LEU 115 2HD2 LEU 115 -0.684 -0.762 -5.532 919 H SER 116 H SER 116 -3.730 -2.709 -2.373 920 HA SER 116 HA SER 116 -5.626 -0.679 -3.215 921 HB2 SER 116 2HB SER 116 -7.005 -1.240 -1.210 922 HB3 SER 116 1HB SER 116 -7.021 -2.468 -2.486 923 HG SER 116 HG SER 116 -5.102 -3.249 -1.028 924 H MET 117 H MET 117 -5.774 1.129 -1.922 925 HA MET 117 HA MET 117 -4.221 1.418 0.489 926 HB2 MET 117 2HB MET 117 -2.938 3.377 -0.294 927 HB3 MET 117 1HB MET 117 -2.491 1.951 -1.178 928 HG2 MET 117 2HG MET 117 -4.425 4.025 -2.247 929 HG3 MET 117 1HG MET 117 -2.704 4.035 -2.594 930 HE1 MET 117 3HE MET 117 -1.493 2.107 -3.999 931 HE2 MET 117 1HE MET 117 -2.354 0.734 -4.694 932 HE3 MET 117 2HE MET 117 -2.165 0.851 -2.953 933 HA PRO 118 HA PRO 118 -7.639 4.198 1.165 934 HB2 PRO 118 2HB PRO 118 -6.778 5.647 3.250 935 HB3 PRO 118 1HB PRO 118 -7.118 3.919 3.415 936 HG2 PRO 118 2HG PRO 118 -4.492 5.300 3.025 937 HG3 PRO 118 1HG PRO 118 -4.912 4.021 4.177 938 HD2 PRO 118 2HD PRO 118 -3.635 3.529 1.816 939 HD3 PRO 118 1HD PRO 118 -4.730 2.357 2.578 940 H ARG 119 H ARG 119 -4.429 5.631 1.064 941 HA ARG 119 HA ARG 119 -4.830 7.478 -0.936 942 HB2 ARG 119 2HB ARG 119 -6.273 8.608 0.800 943 HB3 ARG 119 1HB ARG 119 -4.865 8.687 1.847 944 HG2 ARG 119 2HG ARG 119 -3.732 10.123 0.262 945 HG3 ARG 119 1HG ARG 119 -5.102 10.009 -0.845 946 HD2 ARG 119 2HD ARG 119 -6.536 11.014 0.901 947 HD3 ARG 119 1HD ARG 119 -5.110 11.201 1.921 948 HE ARG 119 HE ARG 119 -4.309 12.465 -0.228 949 HH11 ARG 119 1HH1 ARG 119 -7.419 12.675 1.489 950 HH12 ARG 119 2HH1 ARG 119 -7.742 14.263 1.025 951 HH21 ARG 119 1HH2 ARG 119 -4.788 14.704 -0.902 952 HH22 ARG 119 2HH2 ARG 119 -6.235 15.424 -0.388 953 H ILE 120 H ILE 120 -2.789 8.319 -1.436 954 HA ILE 120 HA ILE 120 -0.667 7.732 0.454 955 HB ILE 120 HB ILE 120 0.771 7.009 -1.500 956 HG12 ILE 120 2HG1 ILE 120 -1.930 6.748 -2.844 957 HG13 ILE 120 1HG1 ILE 120 -0.631 7.830 -3.321 958 HG21 ILE 120 1HG2 ILE 120 -0.000 5.409 0.141 959 HG22 ILE 120 2HG2 ILE 120 -0.034 4.683 -1.467 960 HG23 ILE 120 3HG2 ILE 120 -1.530 5.231 -0.714 961 HD11 ILE 120 3HD1 ILE 120 -0.858 5.876 -4.750 962 HD12 ILE 120 1HD1 ILE 120 -0.515 4.827 -3.384 963 HD13 ILE 120 2HD1 ILE 120 0.735 5.934 -3.983 964 H GLY 121 H GLY 121 1.102 8.995 0.347 965 HA2 GLY 121 2HA GLY 121 1.884 10.857 -1.460 966 HA3 GLY 121 1HA GLY 121 0.667 11.676 -0.472 967 H CYS 122 H CYS 122 0.938 11.746 1.801 968 HA CYS 122 HA CYS 122 2.951 10.701 3.315 969 HB2 CYS 122 2HB CYS 122 4.539 12.030 1.888 970 HB3 CYS 122 1HB CYS 122 3.711 13.499 2.371 971 HG CYS 122 HG CYS 122 5.995 13.617 3.816 972 H GLY 123 H GLY 123 2.317 14.142 3.279 973 HA2 GLY 123 2HA GLY 123 -0.034 14.114 4.855 974 HA3 GLY 123 1HA GLY 123 1.394 14.392 5.849 975 H LEU 124 H LEU 124 1.421 15.378 2.565 976 HA LEU 124 HA LEU 124 1.238 18.185 3.353 977 HB2 LEU 124 2HB LEU 124 3.183 16.890 1.421 978 HB3 LEU 124 1HB LEU 124 2.928 18.611 1.502 979 HG LEU 124 HG LEU 124 4.971 18.103 2.613 980 HD11 LEU 124 1HD1 LEU 124 3.724 19.865 3.611 981 HD12 LEU 124 2HD1 LEU 124 4.614 18.972 4.844 982 HD13 LEU 124 3HD1 LEU 124 2.879 18.722 4.656 983 HD21 LEU 124 3HD2 LEU 124 4.618 15.744 3.124 984 HD22 LEU 124 1HD2 LEU 124 3.446 16.177 4.366 985 HD23 LEU 124 2HD2 LEU 124 5.143 16.619 4.561 986 H ASP 125 H ASP 125 0.185 19.501 1.842 987 HA ASP 125 HA ASP 125 -1.321 17.906 -0.116 988 HB2 ASP 125 2HB ASP 125 -2.611 18.524 1.922 989 HB3 ASP 125 1HB ASP 125 -2.377 20.217 1.520 990 H ARG 126 H ARG 126 1.092 19.958 -0.221 991 HA ARG 126 HA ARG 126 -0.028 21.909 -2.013 992 HB2 ARG 126 2HB ARG 126 2.139 22.276 -0.756 993 HB3 ARG 126 1HB ARG 126 2.897 21.169 -1.907 994 HG2 ARG 126 2HG ARG 126 2.313 22.568 -3.747 995 HG3 ARG 126 1HG ARG 126 1.364 23.621 -2.705 996 HD2 ARG 126 2HD ARG 126 3.373 24.650 -3.223 997 HD3 ARG 126 1HD ARG 126 3.435 24.226 -1.516 998 HE ARG 126 HE ARG 126 4.615 22.184 -3.044 999 HH11 ARG 126 1HH1 ARG 126 5.282 25.490 -1.966 1000 HH12 ARG 126 2HH1 ARG 126 6.976 25.326 -2.099 1001 HH21 ARG 126 1HH2 ARG 126 6.895 21.996 -3.255 1002 HH22 ARG 126 2HH2 ARG 126 7.915 23.311 -2.849 1003 H LEU 127 H LEU 127 1.255 18.724 -2.329 1004 HA LEU 127 HA LEU 127 1.106 18.763 -5.190 1005 HB2 LEU 127 2HB LEU 127 1.145 16.399 -3.282 1006 HB3 LEU 127 1HB LEU 127 1.090 16.262 -5.014 1007 HG LEU 127 HG LEU 127 3.316 17.398 -5.105 1008 HD11 LEU 127 1HD1 LEU 127 3.302 18.497 -2.972 1009 HD12 LEU 127 2HD1 LEU 127 4.690 17.419 -3.136 1010 HD13 LEU 127 3HD1 LEU 127 3.308 16.931 -2.144 1011 HD21 LEU 127 3HD2 LEU 127 4.549 15.383 -4.463 1012 HD22 LEU 127 1HD2 LEU 127 3.063 15.036 -5.360 1013 HD23 LEU 127 2HD2 LEU 127 3.109 14.798 -3.615 1014 H GLN 128 H GLN 128 -0.515 17.646 -6.372 1015 HA GLN 128 HA GLN 128 -3.086 17.862 -5.042 1016 HB2 GLN 128 2HB GLN 128 -2.777 19.395 -6.867 1017 HB3 GLN 128 1HB GLN 128 -2.211 18.104 -7.912 1018 HG2 GLN 128 2HG GLN 128 -4.324 17.080 -7.819 1019 HG3 GLN 128 1HG GLN 128 -4.944 18.360 -6.759 1020 HE21 GLN 128 1HE2 GLN 128 -6.555 18.988 -8.303 1021 HE22 GLN 128 2HE2 GLN 128 -6.125 19.839 -9.727 1022 H TRP 129 H TRP 129 -4.201 15.996 -4.735 1023 HA TRP 129 HA TRP 129 -3.152 13.500 -5.323 1024 HB2 TRP 129 2HB TRP 129 -4.840 13.635 -3.598 1025 HB3 TRP 129 1HB TRP 129 -6.039 14.246 -4.732 1026 HD1 TRP 129 HD TRP 129 -7.433 12.500 -6.075 1027 HE1 TRP 129 1HE TRP 129 -7.497 9.950 -6.218 1028 HE3 TRP 129 3HE TRP 129 -3.237 11.445 -3.346 1029 HZ2 TRP 129 2HZ TRP 129 -5.949 7.728 -5.266 1030 HZ3 TRP 129 3HZ TRP 129 -2.621 9.090 -3.021 1031 HH2 TRP 129 HH TRP 129 -3.987 7.272 -3.983 1032 H GLU 130 H GLU 130 -5.211 15.498 -7.257 1033 HA GLU 130 HA GLU 130 -5.977 13.654 -9.203 1034 HB2 GLU 130 2HB GLU 130 -6.907 15.907 -8.958 1035 HB3 GLU 130 1HB GLU 130 -5.392 16.598 -9.502 1036 HG2 GLU 130 2HG GLU 130 -5.707 15.657 -11.684 1037 HG3 GLU 130 1HG GLU 130 -7.180 14.841 -11.156 1038 H ASN 131 H ASN 131 -2.990 15.460 -8.818 1039 HA ASN 131 HA ASN 131 -1.853 14.625 -11.326 1040 HB2 ASN 131 2HB ASN 131 -0.467 15.705 -8.845 1041 HB3 ASN 131 1HB ASN 131 0.286 15.481 -10.412 1042 HD21 ASN 131 1HD2 ASN 131 -0.001 17.881 -8.838 1043 HD22 ASN 131 2HD2 ASN 131 -0.873 19.007 -9.813 1044 H VAL 132 H VAL 132 -1.664 13.666 -7.973 1045 HA VAL 132 HA VAL 132 0.239 11.619 -8.127 1046 HB VAL 132 HB VAL 132 -2.178 11.823 -6.300 1047 HG11 VAL 132 1HG1 VAL 132 -1.332 9.563 -6.270 1048 HG12 VAL 132 2HG1 VAL 132 -0.948 10.366 -4.757 1049 HG13 VAL 132 3HG1 VAL 132 0.308 10.122 -5.969 1050 HG21 VAL 132 3HG2 VAL 132 -0.617 12.784 -4.668 1051 HG22 VAL 132 1HG2 VAL 132 -0.722 13.771 -6.124 1052 HG23 VAL 132 2HG2 VAL 132 0.673 12.724 -5.867 1053 H SER 133 H SER 133 -3.305 11.381 -8.222 1054 HA SER 133 HA SER 133 -3.462 8.671 -8.728 1055 HB2 SER 133 2HB SER 133 -5.805 9.224 -9.532 1056 HB3 SER 133 1HB SER 133 -5.397 9.797 -7.915 1057 HG SER 133 HG SER 133 -5.174 11.818 -8.670 1058 H ALA 134 H ALA 134 -3.314 11.387 -11.001 1059 HA ALA 134 HA ALA 134 -3.639 9.870 -13.317 1060 HB1 ALA 134 1HB ALA 134 -3.729 12.330 -13.312 1061 HB2 ALA 134 2HB ALA 134 -2.580 11.732 -14.508 1062 HB3 ALA 134 3HB ALA 134 -1.999 12.386 -12.977 1063 H MET 135 H MET 135 -0.708 10.878 -11.647 1064 HA MET 135 HA MET 135 1.256 9.711 -13.212 1065 HB2 MET 135 2HB MET 135 1.753 11.226 -11.372 1066 HB3 MET 135 1HB MET 135 1.185 10.033 -10.215 1067 HG2 MET 135 2HG MET 135 2.984 8.508 -10.976 1068 HG3 MET 135 1HG MET 135 3.601 9.802 -11.994 1069 HE1 MET 135 3HE MET 135 4.676 12.419 -9.278 1070 HE2 MET 135 1HE MET 135 3.097 12.377 -10.075 1071 HE3 MET 135 2HE MET 135 4.581 12.107 -11.011 1072 H ILE 136 H ILE 136 -0.508 8.348 -10.481 1073 HA ILE 136 HA ILE 136 0.812 5.881 -10.295 1074 HB ILE 136 HB ILE 136 -2.077 6.527 -9.716 1075 HG12 ILE 136 2HG1 ILE 136 0.306 6.367 -7.866 1076 HG13 ILE 136 1HG1 ILE 136 -0.450 7.848 -8.432 1077 HG21 ILE 136 1HG2 ILE 136 -2.072 4.510 -8.271 1078 HG22 ILE 136 2HG2 ILE 136 -0.449 4.127 -8.839 1079 HG23 ILE 136 3HG2 ILE 136 -1.803 4.114 -9.968 1080 HD11 ILE 136 3HD1 ILE 136 -1.762 5.755 -6.715 1081 HD12 ILE 136 1HD1 ILE 136 -2.513 7.244 -7.279 1082 HD13 ILE 136 2HD1 ILE 136 -1.142 7.322 -6.173 1083 H GLU 137 H GLU 137 -2.098 6.772 -12.083 1084 HA GLU 137 HA GLU 137 -2.406 4.220 -13.238 1085 HB2 GLU 137 2HB GLU 137 -3.483 6.857 -14.161 1086 HB3 GLU 137 1HB GLU 137 -4.027 5.284 -14.740 1087 HG2 GLU 137 2HG GLU 137 -4.704 4.765 -12.385 1088 HG3 GLU 137 1HG GLU 137 -4.309 6.429 -11.979 1089 H GLU 138 H GLU 138 -0.586 7.072 -14.177 1090 HA GLU 138 HA GLU 138 -0.060 6.215 -16.834 1091 HB2 GLU 138 2HB GLU 138 1.706 7.930 -15.077 1092 HB3 GLU 138 1HB GLU 138 1.842 7.761 -16.815 1093 HG2 GLU 138 2HG GLU 138 -0.471 8.773 -16.964 1094 HG3 GLU 138 1HG GLU 138 -0.316 9.104 -15.233 1095 H VAL 139 H VAL 139 1.732 5.870 -13.820 1096 HA VAL 139 HA VAL 139 3.899 4.414 -14.883 1097 HB VAL 139 HB VAL 139 2.819 4.394 -12.027 1098 HG11 VAL 139 1HG1 VAL 139 4.323 2.510 -12.379 1099 HG12 VAL 139 2HG1 VAL 139 5.085 3.722 -11.360 1100 HG13 VAL 139 3HG1 VAL 139 5.539 3.594 -13.052 1101 HG21 VAL 139 3HG2 VAL 139 4.555 6.063 -11.568 1102 HG22 VAL 139 1HG2 VAL 139 3.395 6.638 -12.764 1103 HG23 VAL 139 2HG2 VAL 139 4.986 6.080 -13.277 1104 H PHE 140 H PHE 140 0.867 3.362 -13.421 1105 HA PHE 140 HA PHE 140 1.451 0.597 -13.850 1106 HB2 PHE 140 2HB PHE 140 -0.901 2.004 -12.696 1107 HB3 PHE 140 1HB PHE 140 -1.020 0.312 -13.157 1108 HD1 PHE 140 2HD PHE 140 0.364 -1.373 -12.059 1109 HD2 PHE 140 1HD PHE 140 0.332 2.674 -10.736 1110 HE1 PHE 140 2HE PHE 140 1.305 -2.065 -9.932 1111 HE2 PHE 140 1HE PHE 140 1.300 1.935 -8.578 1112 HZ PHE 140 HZ PHE 140 1.762 -0.525 -8.239 1113 H GLU 141 H GLU 141 0.201 2.941 -15.915 1114 HA GLU 141 HA GLU 141 -1.812 1.802 -17.316 1115 HB2 GLU 141 2HB GLU 141 -0.954 4.065 -17.591 1116 HB3 GLU 141 1HB GLU 141 0.482 3.424 -18.370 1117 HG2 GLU 141 2HG GLU 141 -0.899 2.510 -20.125 1118 HG3 GLU 141 1HG GLU 141 -2.322 3.208 -19.338 1119 H ALA 142 H ALA 142 1.573 1.125 -17.626 1120 HA ALA 142 HA ALA 142 1.071 -0.632 -19.908 1121 HB1 ALA 142 1HB ALA 142 3.465 -0.788 -20.170 1122 HB2 ALA 142 2HB ALA 142 3.710 0.007 -18.623 1123 HB3 ALA 142 3HB ALA 142 3.014 0.912 -19.972 1124 H THR 143 H THR 143 0.595 -1.083 -16.804 1125 HA THR 143 HA THR 143 1.608 -3.820 -16.896 1126 HB THR 143 HB THR 143 1.583 -3.819 -14.383 1127 HG1 THR 143 1HG THR 143 0.487 -1.414 -14.762 1128 HG21 THR 143 3HG2 THR 143 3.431 -1.805 -15.658 1129 HG22 THR 143 1HG2 THR 143 3.681 -3.551 -15.613 1130 HG23 THR 143 2HG2 THR 143 3.689 -2.622 -14.114 1131 H ASP 144 H ASP 144 0.294 -5.082 -15.027 1132 HA ASP 144 HA ASP 144 -2.474 -4.973 -15.958 1133 HB2 ASP 144 2HB ASP 144 -2.523 -7.325 -15.246 1134 HB3 ASP 144 1HB ASP 144 -1.263 -7.002 -16.436 1135 H ILE 145 H ILE 145 -0.770 -3.978 -13.284 1136 HA ILE 145 HA ILE 145 -2.374 -5.203 -11.237 1137 HB ILE 145 HB ILE 145 -0.391 -2.882 -10.801 1138 HG12 ILE 145 2HG1 ILE 145 0.109 -5.862 -10.620 1139 HG13 ILE 145 1HG1 ILE 145 0.563 -4.889 -12.007 1140 HG21 ILE 145 1HG2 ILE 145 -1.470 -4.919 -8.917 1141 HG22 ILE 145 2HG2 ILE 145 -1.925 -3.219 -8.986 1142 HG23 ILE 145 3HG2 ILE 145 -0.270 -3.671 -8.580 1143 HD11 ILE 145 3HD1 ILE 145 1.472 -4.352 -9.218 1144 HD12 ILE 145 1HD1 ILE 145 2.067 -3.612 -10.701 1145 HD13 ILE 145 2HD1 ILE 145 2.373 -5.325 -10.386 1146 H LYS 146 H LYS 146 -4.106 -4.449 -10.200 1147 HA LYS 146 HA LYS 146 -5.452 -2.027 -11.156 1148 HB2 LYS 146 2HB LYS 146 -6.377 -3.991 -9.030 1149 HB3 LYS 146 1HB LYS 146 -7.308 -2.663 -9.660 1150 HG2 LYS 146 2HG LYS 146 -8.112 -4.769 -10.515 1151 HG3 LYS 146 1HG LYS 146 -7.422 -3.825 -11.836 1152 HD2 LYS 146 2HD LYS 146 -5.513 -5.045 -11.859 1153 HD3 LYS 146 1HD LYS 146 -5.830 -5.780 -10.295 1154 HE2 LYS 146 2HE LYS 146 -7.448 -6.289 -12.809 1155 HE3 LYS 146 1HE LYS 146 -6.243 -7.405 -12.156 1156 HZ1 LYS 146 3HZ LYS 146 -7.603 -7.398 -10.069 1157 HZ2 LYS 146 1HZ LYS 146 -8.383 -8.148 -11.356 1158 HZ3 LYS 146 2HZ LYS 146 -8.801 -6.579 -10.861 1159 H ILE 147 H ILE 147 -6.176 -0.520 -9.699 1160 HA ILE 147 HA ILE 147 -4.631 -0.365 -7.168 1161 HB ILE 147 HB ILE 147 -5.543 2.070 -8.708 1162 HG12 ILE 147 2HG1 ILE 147 -4.045 0.948 -10.266 1163 HG13 ILE 147 1HG1 ILE 147 -3.243 2.358 -9.605 1164 HG21 ILE 147 1HG2 ILE 147 -4.996 2.433 -6.364 1165 HG22 ILE 147 2HG2 ILE 147 -3.811 3.232 -7.392 1166 HG23 ILE 147 3HG2 ILE 147 -3.419 1.713 -6.599 1167 HD11 ILE 147 3HD1 ILE 147 -2.806 -0.496 -8.819 1168 HD12 ILE 147 1HD1 ILE 147 -1.934 0.897 -8.128 1169 HD13 ILE 147 2HD1 ILE 147 -1.772 0.483 -9.845 1170 H THR 148 H THR 148 -6.113 -0.538 -5.552 1171 HA THR 148 HA THR 148 -8.763 0.579 -6.075 1172 HB THR 148 HB THR 148 -8.132 -1.455 -3.914 1173 HG1 THR 148 1HG THR 148 -8.099 -2.952 -5.403 1174 HG21 THR 148 3HG2 THR 148 -10.623 -0.646 -5.392 1175 HG22 THR 148 1HG2 THR 148 -10.214 -0.198 -3.740 1176 HG23 THR 148 2HG2 THR 148 -10.547 -1.888 -4.133 1177 H VAL 149 H VAL 149 -8.966 2.502 -5.157 1178 HA VAL 149 HA VAL 149 -7.431 3.070 -2.741 1179 HB VAL 149 HB VAL 149 -8.808 4.983 -4.661 1180 HG11 VAL 149 1HG1 VAL 149 -8.796 5.866 -2.372 1181 HG12 VAL 149 2HG1 VAL 149 -7.687 6.766 -3.406 1182 HG13 VAL 149 3HG1 VAL 149 -7.060 5.576 -2.264 1183 HG21 VAL 149 3HG2 VAL 149 -6.814 3.912 -5.569 1184 HG22 VAL 149 1HG2 VAL 149 -5.885 4.441 -4.169 1185 HG23 VAL 149 2HG2 VAL 149 -6.554 5.636 -5.289 1186 H TYR 150 H TYR 150 -8.479 2.870 -0.943 1187 HA TYR 150 HA TYR 150 -11.390 3.002 -0.946 1188 HB2 TYR 150 2HB TYR 150 -9.475 2.038 1.175 1189 HB3 TYR 150 1HB TYR 150 -11.212 2.159 1.419 1190 HD1 TYR 150 1HD TYR 150 -8.613 0.511 -0.621 1191 HD2 TYR 150 2HD TYR 150 -12.666 0.471 0.644 1192 HE1 TYR 150 1HE TYR 150 -8.906 -1.702 -1.627 1193 HE2 TYR 150 2HE TYR 150 -12.963 -1.751 -0.365 1194 HH TYR 150 HH TYR 150 -10.272 -3.569 -1.472 1195 H THR 151 H THR 151 -12.324 4.725 -0.522 1196 HA THR 151 HA THR 151 -10.914 6.815 0.949 1197 HB THR 151 HB THR 151 -12.622 8.328 -0.095 1198 HG1 THR 151 1HG THR 151 -13.888 6.166 -0.596 1199 HG21 THR 151 3HG2 THR 151 -10.377 8.059 -1.079 1200 HG22 THR 151 1HG2 THR 151 -11.597 8.285 -2.336 1201 HG23 THR 151 2HG2 THR 151 -10.959 6.676 -2.006 1202 H LEU 152 H LEU 152 -11.773 7.740 2.742 1203 HA LEU 152 HA LEU 152 -13.025 8.164 4.518 1204 HB2 LEU 152 2HB LEU 152 -15.240 7.217 2.734 1205 HB3 LEU 152 1HB LEU 152 -15.552 7.770 4.369 1206 HG LEU 152 HG LEU 152 -14.673 10.023 3.701 1207 HD11 LEU 152 1HD1 LEU 152 -14.662 8.897 0.907 1208 HD12 LEU 152 2HD1 LEU 152 -13.240 9.357 1.846 1209 HD13 LEU 152 3HD1 LEU 152 -14.409 10.583 1.363 1210 HD21 LEU 152 3HD2 LEU 152 -17.042 9.582 3.696 1211 HD22 LEU 152 1HD2 LEU 152 -16.940 8.944 2.059 1212 HD23 LEU 152 2HD2 LEU 152 -16.618 10.652 2.359 Start of MODEL 5 1 H GLU 1 H GLU 1 -18.534 -23.820 9.824 2 HA GLU 1 HA GLU 1 -18.208 -21.021 9.133 3 HB2 GLU 1 2HB GLU 1 -16.241 -22.991 10.259 4 HB3 GLU 1 1HB GLU 1 -15.889 -21.302 9.932 5 HG2 GLU 1 2HG GLU 1 -17.913 -22.364 11.891 6 HG3 GLU 1 1HG GLU 1 -16.361 -21.620 12.274 7 H ALA 2 H ALA 2 -18.351 -23.679 7.343 8 HA ALA 2 HA ALA 2 -16.017 -23.164 5.684 9 HB1 ALA 2 1HB ALA 2 -16.729 -25.466 6.066 10 HB2 ALA 2 2HB ALA 2 -16.753 -25.048 4.354 11 HB3 ALA 2 3HB ALA 2 -18.263 -25.123 5.260 12 H SER 3 H SER 3 -18.424 -21.333 6.018 13 HA SER 3 HA SER 3 -18.893 -20.914 3.166 14 HB2 SER 3 2HB SER 3 -20.468 -19.849 5.532 15 HB3 SER 3 1HB SER 3 -20.860 -19.594 3.831 16 HG SER 3 HG SER 3 -21.144 -21.835 3.624 17 H SER 4 H SER 4 -17.126 -19.731 2.598 18 HA SER 4 HA SER 4 -16.853 -17.090 3.766 19 HB2 SER 4 2HB SER 4 -15.164 -18.519 4.898 20 HB3 SER 4 1HB SER 4 -14.562 -19.046 3.331 21 HG SER 4 HG SER 4 -14.121 -16.699 4.707 22 H LEU 5 H LEU 5 -16.159 -15.587 2.189 23 HA LEU 5 HA LEU 5 -16.262 -16.697 -0.520 24 HB2 LEU 5 2HB LEU 5 -16.998 -13.945 0.434 25 HB3 LEU 5 1HB LEU 5 -17.026 -14.479 -1.231 26 HG LEU 5 HG LEU 5 -18.765 -15.529 0.995 27 HD11 LEU 5 1HD1 LEU 5 -20.569 -14.459 -0.269 28 HD12 LEU 5 2HD1 LEU 5 -19.376 -13.813 -1.391 29 HD13 LEU 5 3HD1 LEU 5 -19.371 -13.295 0.296 30 HD21 LEU 5 3HD2 LEU 5 -19.934 -16.745 -0.801 31 HD22 LEU 5 1HD2 LEU 5 -18.273 -17.300 -0.608 32 HD23 LEU 5 2HD2 LEU 5 -18.702 -16.224 -1.941 33 H ASN 6 H ASN 6 -14.578 -16.541 -1.762 34 HA ASN 6 HA ASN 6 -12.348 -14.924 -0.919 35 HB2 ASN 6 2HB ASN 6 -11.894 -17.194 -1.813 36 HB3 ASN 6 1HB ASN 6 -12.653 -16.740 -3.334 37 HD21 ASN 6 1HD2 ASN 6 -9.837 -16.362 -1.307 38 HD22 ASN 6 2HD2 ASN 6 -8.832 -15.661 -2.521 39 H GLU 7 H GLU 7 -12.789 -12.887 -1.203 40 HA GLU 7 HA GLU 7 -14.311 -12.007 -3.441 41 HB2 GLU 7 2HB GLU 7 -12.989 -10.497 -1.218 42 HB3 GLU 7 1HB GLU 7 -13.959 -9.752 -2.484 43 HG2 GLU 7 2HG GLU 7 -15.858 -11.002 -1.805 44 HG3 GLU 7 1HG GLU 7 -14.923 -11.836 -0.555 45 H ASP 8 H ASP 8 -13.647 -10.388 -4.858 46 HA ASP 8 HA ASP 8 -10.820 -10.099 -5.316 47 HB2 ASP 8 2HB ASP 8 -11.062 -10.789 -7.698 48 HB3 ASP 8 1HB ASP 8 -11.199 -12.119 -6.554 49 HA PRO 9 HA PRO 9 -12.640 -6.282 -6.774 50 HB2 PRO 9 2HB PRO 9 -10.591 -4.725 -6.170 51 HB3 PRO 9 1HB PRO 9 -11.732 -5.265 -4.938 52 HG2 PRO 9 2HG PRO 9 -8.916 -6.069 -5.350 53 HG3 PRO 9 1HG PRO 9 -9.922 -6.250 -3.906 54 HD2 PRO 9 2HD PRO 9 -9.291 -8.240 -5.906 55 HD3 PRO 9 1HD PRO 9 -10.251 -8.422 -4.422 56 H GLU 10 H GLU 10 -12.245 -4.998 -8.553 57 HA GLU 10 HA GLU 10 -9.740 -5.315 -9.970 58 HB2 GLU 10 2HB GLU 10 -12.431 -5.798 -11.223 59 HB3 GLU 10 1HB GLU 10 -10.959 -5.521 -12.139 60 HG2 GLU 10 2HG GLU 10 -9.989 -7.531 -11.097 61 HG3 GLU 10 1HG GLU 10 -11.526 -7.817 -10.279 62 H GLY 11 H GLY 11 -12.841 -3.936 -10.431 63 HA2 GLY 11 2HA GLY 11 -13.524 -1.787 -11.054 64 HA3 GLY 11 1HA GLY 11 -12.103 -1.229 -10.185 65 H SER 12 H SER 12 -10.537 -0.372 -11.274 66 HA SER 12 HA SER 12 -9.923 -1.060 -14.008 67 HB2 SER 12 2HB SER 12 -11.712 0.733 -14.101 68 HB3 SER 12 1HB SER 12 -10.625 1.795 -13.212 69 HG SER 12 HG SER 12 -10.124 0.601 -15.729 70 H ARG 13 H ARG 13 -8.198 1.277 -14.274 71 HA ARG 13 HA ARG 13 -5.909 0.497 -12.892 72 HB2 ARG 13 2HB ARG 13 -6.591 3.209 -14.036 73 HB3 ARG 13 1HB ARG 13 -5.023 2.827 -13.341 74 HG2 ARG 13 2HG ARG 13 -6.277 1.377 -15.646 75 HG3 ARG 13 1HG ARG 13 -5.077 2.669 -15.784 76 HD2 ARG 13 2HD ARG 13 -3.465 1.403 -14.611 77 HD3 ARG 13 1HD ARG 13 -4.577 0.117 -14.214 78 HE ARG 13 HE ARG 13 -4.312 0.600 -17.020 79 HH11 ARG 13 1HH1 ARG 13 -2.950 -1.131 -14.253 80 HH12 ARG 13 2HH1 ARG 13 -2.097 -2.238 -15.267 81 HH21 ARG 13 1HH2 ARG 13 -3.182 -0.991 -18.315 82 HH22 ARG 13 2HH2 ARG 13 -2.244 -2.183 -17.543 83 H ILE 14 H ILE 14 -7.830 3.395 -12.068 84 HA ILE 14 HA ILE 14 -7.191 2.701 -9.297 85 HB ILE 14 HB ILE 14 -7.759 5.426 -10.446 86 HG12 ILE 14 2HG1 ILE 14 -5.146 4.296 -9.420 87 HG13 ILE 14 1HG1 ILE 14 -5.533 4.572 -11.113 88 HG21 ILE 14 1HG2 ILE 14 -8.524 5.175 -8.146 89 HG22 ILE 14 2HG2 ILE 14 -7.117 6.243 -8.206 90 HG23 ILE 14 3HG2 ILE 14 -6.934 4.571 -7.674 91 HD11 ILE 14 3HD1 ILE 14 -5.326 6.714 -8.995 92 HD12 ILE 14 1HD1 ILE 14 -5.689 6.931 -10.705 93 HD13 ILE 14 2HD1 ILE 14 -4.113 6.331 -10.220 94 H THR 15 H THR 15 -8.839 2.102 -8.274 95 HA THR 15 HA THR 15 -11.552 2.820 -9.176 96 HB THR 15 HB THR 15 -10.730 0.499 -7.408 97 HG1 THR 15 1HG THR 15 -9.758 0.110 -9.345 98 HG21 THR 15 3HG2 THR 15 -13.106 1.169 -7.320 99 HG22 THR 15 1HG2 THR 15 -12.923 -0.405 -8.094 100 HG23 THR 15 2HG2 THR 15 -13.205 1.034 -9.074 101 H TYR 16 H TYR 16 -12.735 4.027 -7.688 102 HA TYR 16 HA TYR 16 -11.412 4.470 -5.120 103 HB2 TYR 16 2HB TYR 16 -13.571 6.100 -6.458 104 HB3 TYR 16 1HB TYR 16 -12.783 6.489 -4.930 105 HD1 TYR 16 2HD TYR 16 -10.175 6.650 -5.011 106 HD2 TYR 16 1HD TYR 16 -12.714 6.989 -8.408 107 HE1 TYR 16 2HE TYR 16 -8.409 7.813 -6.209 108 HE2 TYR 16 1HE TYR 16 -10.930 8.153 -9.622 109 HH TYR 16 HH TYR 16 -7.764 8.155 -8.661 110 H VAL 17 H VAL 17 -12.273 3.879 -3.268 111 HA VAL 17 HA VAL 17 -15.080 3.034 -3.228 112 HB VAL 17 HB VAL 17 -12.820 1.459 -1.965 113 HG11 VAL 17 1HG1 VAL 17 -14.528 -0.230 -1.514 114 HG12 VAL 17 2HG1 VAL 17 -15.755 0.848 -2.179 115 HG13 VAL 17 3HG1 VAL 17 -14.881 1.304 -0.717 116 HG21 VAL 17 3HG2 VAL 17 -13.303 -0.296 -3.580 117 HG22 VAL 17 1HG2 VAL 17 -12.733 1.179 -4.359 118 HG23 VAL 17 2HG2 VAL 17 -14.455 0.762 -4.403 119 H LYS 18 H LYS 18 -16.112 3.747 -1.438 120 HA LYS 18 HA LYS 18 -14.485 4.888 0.658 121 HB2 LYS 18 2HB LYS 18 -16.509 5.958 1.476 122 HB3 LYS 18 1HB LYS 18 -16.297 6.349 -0.213 123 HG2 LYS 18 2HG LYS 18 -18.214 4.244 0.815 124 HG3 LYS 18 1HG LYS 18 -18.652 5.922 0.564 125 HD2 LYS 18 2HD LYS 18 -17.737 3.990 -1.599 126 HD3 LYS 18 1HD LYS 18 -19.385 4.476 -1.265 127 HE2 LYS 18 2HE LYS 18 -18.733 6.848 -1.734 128 HE3 LYS 18 1HE LYS 18 -17.149 6.248 -2.226 129 HZ1 LYS 18 3HZ LYS 18 -19.732 5.501 -3.469 130 HZ2 LYS 18 1HZ LYS 18 -18.240 4.936 -3.963 131 HZ3 LYS 18 2HZ LYS 18 -18.614 6.570 -4.138 132 H GLY 19 H GLY 19 -14.617 4.005 2.782 133 HA2 GLY 19 2HA GLY 19 -16.260 2.418 4.026 134 HA3 GLY 19 1HA GLY 19 -15.707 1.302 2.786 135 H ASP 20 H ASP 20 -14.539 -0.118 3.956 136 HA ASP 20 HA ASP 20 -12.474 0.972 5.755 137 HB2 ASP 20 2HB ASP 20 -14.245 -0.376 6.892 138 HB3 ASP 20 1HB ASP 20 -13.806 -1.732 5.871 139 H LEU 21 H LEU 21 -10.404 0.362 5.494 140 HA LEU 21 HA LEU 21 -9.731 -1.083 3.038 141 HB2 LEU 21 2HB LEU 21 -8.864 1.127 3.425 142 HB3 LEU 21 1HB LEU 21 -8.074 0.587 4.883 143 HG LEU 21 HG LEU 21 -6.490 -0.740 3.647 144 HD11 LEU 21 1HD1 LEU 21 -6.552 -0.866 1.199 145 HD12 LEU 21 2HD1 LEU 21 -8.077 0.028 1.185 146 HD13 LEU 21 3HD1 LEU 21 -8.000 -1.585 1.903 147 HD21 LEU 21 3HD2 LEU 21 -5.490 0.996 2.244 148 HD22 LEU 21 1HD2 LEU 21 -6.062 1.608 3.823 149 HD23 LEU 21 2HD2 LEU 21 -7.047 1.845 2.371 150 H PHE 22 H PHE 22 -10.196 -1.944 6.154 151 HA PHE 22 HA PHE 22 -7.918 -3.769 6.232 152 HB2 PHE 22 2HB PHE 22 -9.839 -2.877 8.399 153 HB3 PHE 22 1HB PHE 22 -8.647 -4.154 8.636 154 HD1 PHE 22 2HD PHE 22 -8.744 -0.659 7.301 155 HD2 PHE 22 1HD PHE 22 -6.688 -3.484 9.750 156 HE1 PHE 22 2HE PHE 22 -7.071 1.029 7.874 157 HE2 PHE 22 1HE PHE 22 -5.040 -1.813 10.293 158 HZ PHE 22 HZ PHE 22 -5.216 0.455 9.369 159 H ALA 23 H ALA 23 -11.402 -3.655 6.090 160 HA ALA 23 HA ALA 23 -11.645 -6.541 6.275 161 HB1 ALA 23 1HB ALA 23 -13.332 -5.087 7.278 162 HB2 ALA 23 2HB ALA 23 -14.032 -6.156 6.064 163 HB3 ALA 23 3HB ALA 23 -13.738 -4.459 5.683 164 H CYS 24 H CYS 24 -10.430 -4.844 3.872 165 HA CYS 24 HA CYS 24 -12.107 -5.587 1.696 166 HB2 CYS 24 2HB CYS 24 -10.296 -4.727 0.250 167 HB3 CYS 24 1HB CYS 24 -10.630 -3.617 1.562 168 HG CYS 24 HG CYS 24 -7.850 -4.764 0.578 169 HA PRO 25 HA PRO 25 -11.022 -9.715 0.513 170 HB2 PRO 25 2HB PRO 25 -9.695 -8.689 -1.949 171 HB3 PRO 25 1HB PRO 25 -10.920 -9.947 -1.776 172 HG2 PRO 25 2HG PRO 25 -11.625 -7.562 -2.660 173 HG3 PRO 25 1HG PRO 25 -12.645 -8.405 -1.480 174 HD2 PRO 25 2HD PRO 25 -10.741 -6.160 -1.077 175 HD3 PRO 25 1HD PRO 25 -12.343 -6.418 -0.348 176 H LYS 26 H LYS 26 -9.434 -11.220 0.535 177 HA LYS 26 HA LYS 26 -6.815 -10.542 1.515 178 HB2 LYS 26 2HB LYS 26 -8.059 -13.172 0.686 179 HB3 LYS 26 1HB LYS 26 -6.428 -13.030 1.301 180 HG2 LYS 26 2HG LYS 26 -7.899 -13.797 3.019 181 HG3 LYS 26 1HG LYS 26 -7.299 -12.171 3.382 182 HD2 LYS 26 2HD LYS 26 -9.466 -11.236 2.669 183 HD3 LYS 26 1HD LYS 26 -10.047 -12.857 2.303 184 HE2 LYS 26 2HE LYS 26 -9.837 -13.499 4.635 185 HE3 LYS 26 1HE LYS 26 -9.139 -11.933 5.022 186 HZ1 LYS 26 3HZ LYS 26 -11.458 -12.074 5.616 187 HZ2 LYS 26 1HZ LYS 26 -11.919 -12.333 4.016 188 HZ3 LYS 26 2HZ LYS 26 -11.198 -10.877 4.478 189 H THR 27 H THR 27 -8.220 -10.930 -1.468 190 HA THR 27 HA THR 27 -6.129 -12.007 -2.969 191 HB THR 27 HB THR 27 -8.594 -10.459 -3.714 192 HG1 THR 27 1HG THR 27 -9.626 -12.313 -3.546 193 HG21 THR 27 3HG2 THR 27 -7.012 -10.665 -5.520 194 HG22 THR 27 1HG2 THR 27 -8.444 -11.696 -5.793 195 HG23 THR 27 2HG2 THR 27 -6.912 -12.407 -5.220 196 H ASP 28 H ASP 28 -6.707 -8.772 -1.762 197 HA ASP 28 HA ASP 28 -4.961 -7.713 -3.846 198 HB2 ASP 28 2HB ASP 28 -5.778 -5.468 -3.195 199 HB3 ASP 28 1HB ASP 28 -7.033 -6.506 -3.845 200 H SER 29 H SER 29 -3.095 -6.748 -3.427 201 HA SER 29 HA SER 29 -2.102 -7.029 -0.739 202 HB2 SER 29 2HB SER 29 -0.791 -6.130 -3.323 203 HB3 SER 29 1HB SER 29 0.057 -6.284 -1.777 204 HG SER 29 HG SER 29 -1.262 -8.339 -3.227 205 H LEU 30 H LEU 30 -1.040 -5.053 0.265 206 HA LEU 30 HA LEU 30 -2.853 -2.814 -0.350 207 HB2 LEU 30 2HB LEU 30 -3.273 -4.459 1.635 208 HB3 LEU 30 1HB LEU 30 -2.003 -3.561 2.417 209 HG LEU 30 HG LEU 30 -4.629 -2.413 1.459 210 HD11 LEU 30 1HD1 LEU 30 -4.963 -3.928 3.254 211 HD12 LEU 30 2HD1 LEU 30 -5.139 -2.282 3.863 212 HD13 LEU 30 3HD1 LEU 30 -3.654 -3.196 4.177 213 HD21 LEU 30 3HD2 LEU 30 -2.451 -1.177 3.144 214 HD22 LEU 30 1HD2 LEU 30 -4.020 -0.453 2.798 215 HD23 LEU 30 2HD2 LEU 30 -2.874 -0.729 1.487 216 H ALA 31 H ALA 31 -1.934 -0.795 -0.135 217 HA ALA 31 HA ALA 31 0.935 -0.697 0.529 218 HB1 ALA 31 1HB ALA 31 -0.353 0.595 -1.875 219 HB2 ALA 31 2HB ALA 31 0.672 -0.839 -1.903 220 HB3 ALA 31 3HB ALA 31 1.349 0.720 -1.423 221 H HIS 32 H HIS 32 1.736 1.485 0.987 222 HA HIS 32 HA HIS 32 -0.196 3.537 1.796 223 HB2 HIS 32 2HB HIS 32 1.810 2.356 3.708 224 HB3 HIS 32 1HB HIS 32 0.634 3.635 4.013 225 HD1 HIS 32 1HD HIS 32 1.169 0.045 4.225 226 HD2 HIS 32 2HD HIS 32 -2.064 2.632 4.113 227 HE1 HIS 32 1HE HIS 32 -0.759 -1.276 5.105 228 HE2 HIS 32 2HE HIS 32 -2.743 0.236 4.785 229 H CYS 33 H CYS 33 1.165 5.468 2.640 230 HA CYS 33 HA CYS 33 3.893 5.387 1.543 231 HB2 CYS 33 2HB CYS 33 3.650 7.862 1.294 232 HB3 CYS 33 1HB CYS 33 2.503 6.962 0.305 233 HG CYS 33 HG CYS 33 1.605 8.080 3.359 234 H ILE 34 H ILE 34 5.582 5.895 2.952 235 HA ILE 34 HA ILE 34 4.987 7.037 5.558 236 HB ILE 34 HB ILE 34 6.098 5.231 6.844 237 HG12 ILE 34 2HG1 ILE 34 6.322 3.739 4.246 238 HG13 ILE 34 1HG1 ILE 34 7.642 4.646 4.971 239 HG21 ILE 34 1HG2 ILE 34 3.747 5.015 6.571 240 HG22 ILE 34 2HG2 ILE 34 4.542 3.448 6.644 241 HG23 ILE 34 3HG2 ILE 34 3.987 4.089 5.091 242 HD11 ILE 34 3HD1 ILE 34 6.237 2.321 6.260 243 HD12 ILE 34 1HD1 ILE 34 7.577 3.244 6.942 244 HD13 ILE 34 2HD1 ILE 34 7.824 2.278 5.488 245 H SER 35 H SER 35 7.170 7.326 6.793 246 HA SER 35 HA SER 35 9.125 8.303 4.904 247 HB2 SER 35 2HB SER 35 10.070 9.399 6.920 248 HB3 SER 35 1HB SER 35 8.384 9.821 6.636 249 HG SER 35 HG SER 35 9.525 8.773 8.745 250 H GLU 36 H GLU 36 11.411 7.819 5.221 251 HA GLU 36 HA GLU 36 11.886 5.035 5.571 252 HB2 GLU 36 2HB GLU 36 14.323 5.680 5.213 253 HB3 GLU 36 1HB GLU 36 13.183 6.032 3.903 254 HG2 GLU 36 2HG GLU 36 13.198 8.292 4.569 255 HG3 GLU 36 1HG GLU 36 14.286 7.929 5.930 256 H ASP 37 H ASP 37 11.841 7.451 7.814 257 HA ASP 37 HA ASP 37 13.616 5.986 9.614 258 HB2 ASP 37 2HB ASP 37 13.521 7.903 11.076 259 HB3 ASP 37 1HB ASP 37 13.984 8.413 9.460 260 H CYS 38 H CYS 38 10.503 6.058 8.733 261 HA CYS 38 HA CYS 38 8.540 5.428 9.545 262 HB2 CYS 38 2HB CYS 38 10.286 3.563 11.151 263 HB3 CYS 38 1HB CYS 38 8.549 3.376 10.958 264 HG CYS 38 HG CYS 38 9.910 3.717 8.004 265 H ARG 39 H ARG 39 8.627 7.656 10.489 266 HA ARG 39 HA ARG 39 8.578 7.885 13.334 267 HB2 ARG 39 2HB ARG 39 7.442 9.648 11.168 268 HB3 ARG 39 1HB ARG 39 7.393 10.059 12.875 269 HG2 ARG 39 2HG ARG 39 9.919 9.519 11.347 270 HG3 ARG 39 1HG ARG 39 9.244 11.130 11.621 271 HD2 ARG 39 2HD ARG 39 9.429 10.899 13.942 272 HD3 ARG 39 1HD ARG 39 9.910 9.201 13.836 273 HE ARG 39 HE ARG 39 11.743 10.568 12.388 274 HH11 ARG 39 1HH1 ARG 39 10.587 10.721 15.762 275 HH12 ARG 39 2HH1 ARG 39 12.098 11.181 16.404 276 HH21 ARG 39 1HH2 ARG 39 13.827 11.215 13.340 277 HH22 ARG 39 2HH2 ARG 39 13.960 11.471 15.023 278 H MET 40 H MET 40 6.131 7.700 10.863 279 HA MET 40 HA MET 40 3.981 7.168 10.813 280 HB2 MET 40 2HB MET 40 4.484 5.474 13.326 281 HB3 MET 40 1HB MET 40 3.167 5.309 12.171 282 HG2 MET 40 2HG MET 40 6.032 4.825 11.673 283 HG3 MET 40 1HG MET 40 4.797 3.620 12.017 284 HE1 MET 40 3HE MET 40 5.403 2.738 8.476 285 HE2 MET 40 1HE MET 40 5.084 2.315 10.190 286 HE3 MET 40 2HE MET 40 6.537 3.213 9.782 287 H GLY 41 H GLY 41 3.792 6.780 14.247 288 HA2 GLY 41 2HA GLY 41 2.700 7.794 15.932 289 HA3 GLY 41 1HA GLY 41 3.227 9.296 15.222 290 H ALA 42 H ALA 42 1.564 8.760 12.780 291 HA ALA 42 HA ALA 42 -1.160 8.638 13.720 292 HB1 ALA 42 1HB ALA 42 -0.033 11.061 12.289 293 HB2 ALA 42 2HB ALA 42 -0.617 11.025 13.949 294 HB3 ALA 42 3HB ALA 42 -1.742 10.771 12.617 295 H GLY 43 H GLY 43 -2.608 8.463 11.867 296 HA2 GLY 43 2HA GLY 43 -2.920 8.225 9.518 297 HA3 GLY 43 1HA GLY 43 -1.209 7.841 9.372 298 H ILE 44 H ILE 44 -2.771 6.263 8.086 299 HA ILE 44 HA ILE 44 -3.916 4.111 9.562 300 HB ILE 44 HB ILE 44 -4.761 4.732 7.366 301 HG12 ILE 44 2HG1 ILE 44 -3.573 1.959 7.209 302 HG13 ILE 44 1HG1 ILE 44 -4.997 2.360 8.179 303 HG21 ILE 44 1HG2 ILE 44 -2.118 3.765 6.311 304 HG22 ILE 44 2HG2 ILE 44 -2.709 5.434 6.299 305 HG23 ILE 44 3HG2 ILE 44 -3.521 4.196 5.338 306 HD11 ILE 44 3HD1 ILE 44 -5.583 1.353 6.079 307 HD12 ILE 44 1HD1 ILE 44 -4.694 2.627 5.216 308 HD13 ILE 44 2HD1 ILE 44 -6.121 3.042 6.168 309 H ALA 45 H ALA 45 -0.717 4.743 8.388 310 HA ALA 45 HA ALA 45 0.263 2.107 8.277 311 HB1 ALA 45 1HB ALA 45 1.464 4.026 7.302 312 HB2 ALA 45 2HB ALA 45 2.486 3.103 8.397 313 HB3 ALA 45 3HB ALA 45 1.796 4.626 8.927 314 H VAL 46 H VAL 46 -0.428 4.187 10.953 315 HA VAL 46 HA VAL 46 1.219 2.983 12.881 316 HB VAL 46 HB VAL 46 -1.406 4.498 13.265 317 HG11 VAL 46 1HG1 VAL 46 0.695 3.770 15.311 318 HG12 VAL 46 2HG1 VAL 46 -0.915 3.056 15.212 319 HG13 VAL 46 3HG1 VAL 46 -0.731 4.767 15.592 320 HG21 VAL 46 3HG2 VAL 46 0.060 6.337 13.863 321 HG22 VAL 46 1HG2 VAL 46 0.390 5.769 12.228 322 HG23 VAL 46 2HG2 VAL 46 1.470 5.326 13.547 323 H LEU 47 H LEU 47 -2.038 2.261 11.796 324 HA LEU 47 HA LEU 47 -2.571 0.198 13.635 325 HB2 LEU 47 2HB LEU 47 -3.694 0.967 10.981 326 HB3 LEU 47 1HB LEU 47 -4.178 -0.540 11.732 327 HG LEU 47 HG LEU 47 -4.452 2.092 13.183 328 HD11 LEU 47 1HD1 LEU 47 -5.746 2.205 11.077 329 HD12 LEU 47 2HD1 LEU 47 -6.803 2.054 12.480 330 HD13 LEU 47 3HD1 LEU 47 -6.477 0.649 11.458 331 HD21 LEU 47 3HD2 LEU 47 -5.735 -0.603 13.415 332 HD22 LEU 47 1HD2 LEU 47 -6.102 0.792 14.433 333 HD23 LEU 47 2HD2 LEU 47 -4.500 0.035 14.504 334 H PHE 48 H PHE 48 -0.895 0.225 10.580 335 HA PHE 48 HA PHE 48 -0.818 -2.631 10.463 336 HB2 PHE 48 2HB PHE 48 0.478 -0.505 8.796 337 HB3 PHE 48 1HB PHE 48 0.840 -2.216 8.570 338 HD1 PHE 48 2HD PHE 48 -1.950 0.225 8.626 339 HD2 PHE 48 1HD PHE 48 -0.550 -3.565 7.327 340 HE1 PHE 48 2HE PHE 48 -3.961 -0.040 7.262 341 HE2 PHE 48 1HE PHE 48 -2.550 -3.852 5.963 342 HZ PHE 48 HZ PHE 48 -4.282 -2.079 5.929 343 H LYS 49 H LYS 49 1.330 -0.136 11.585 344 HA LYS 49 HA LYS 49 3.435 -1.992 11.995 345 HB2 LYS 49 2HB LYS 49 4.622 -0.256 13.159 346 HB3 LYS 49 1HB LYS 49 3.878 0.434 11.728 347 HG2 LYS 49 2HG LYS 49 3.591 2.085 13.339 348 HG3 LYS 49 1HG LYS 49 2.053 1.212 13.396 349 HD2 LYS 49 2HD LYS 49 2.819 -0.051 15.314 350 HD3 LYS 49 1HD LYS 49 4.387 0.745 15.249 351 HE2 LYS 49 2HE LYS 49 3.213 2.931 15.591 352 HE3 LYS 49 1HE LYS 49 1.721 2.027 15.828 353 HZ1 LYS 49 3HZ LYS 49 2.794 2.597 17.936 354 HZ2 LYS 49 1HZ LYS 49 4.166 1.758 17.470 355 HZ3 LYS 49 2HZ LYS 49 2.729 0.924 17.725 356 H LYS 50 H LYS 50 0.749 -0.953 13.829 357 HA LYS 50 HA LYS 50 1.361 -2.146 16.259 358 HB2 LYS 50 2HB LYS 50 -1.193 -1.444 14.960 359 HB3 LYS 50 1HB LYS 50 -1.163 -2.308 16.497 360 HG2 LYS 50 2HG LYS 50 0.023 -0.604 17.550 361 HG3 LYS 50 1HG LYS 50 0.320 0.262 16.019 362 HD2 LYS 50 2HD LYS 50 -1.345 1.328 17.237 363 HD3 LYS 50 1HD LYS 50 -2.025 0.474 15.817 364 HE2 LYS 50 2HE LYS 50 -3.523 0.151 17.774 365 HE3 LYS 50 1HE LYS 50 -2.745 -1.344 17.245 366 HZ1 LYS 50 3HZ LYS 50 -1.843 0.299 19.546 367 HZ2 LYS 50 1HZ LYS 50 -1.190 -1.178 19.060 368 HZ3 LYS 50 2HZ LYS 50 -2.756 -1.106 19.656 369 H LYS 51 H LYS 51 -0.429 -3.391 13.438 370 HA LYS 51 HA LYS 51 -1.058 -5.852 14.648 371 HB2 LYS 51 2HB LYS 51 -1.209 -4.961 11.809 372 HB3 LYS 51 1HB LYS 51 -1.749 -6.532 12.379 373 HG2 LYS 51 2HG LYS 51 -3.331 -5.428 13.887 374 HG3 LYS 51 1HG LYS 51 -2.803 -3.860 13.266 375 HD2 LYS 51 2HD LYS 51 -3.434 -4.521 11.055 376 HD3 LYS 51 1HD LYS 51 -3.987 -6.087 11.648 377 HE2 LYS 51 2HE LYS 51 -5.135 -3.391 12.423 378 HE3 LYS 51 1HE LYS 51 -5.888 -4.556 11.337 379 HZ1 LYS 51 3HZ LYS 51 -6.009 -6.124 13.212 380 HZ2 LYS 51 1HZ LYS 51 -6.836 -4.687 13.532 381 HZ3 LYS 51 2HZ LYS 51 -5.336 -4.943 14.221 382 H PHE 52 H PHE 52 1.448 -4.908 12.309 383 HA PHE 52 HA PHE 52 2.278 -7.713 12.274 384 HB2 PHE 52 2HB PHE 52 2.959 -5.520 10.319 385 HB3 PHE 52 1HB PHE 52 3.438 -7.209 10.175 386 HD1 PHE 52 2HD PHE 52 1.500 -8.944 10.155 387 HD2 PHE 52 1HD PHE 52 0.973 -4.798 9.334 388 HE1 PHE 52 2HE PHE 52 -0.625 -9.435 9.008 389 HE2 PHE 52 1HE PHE 52 -1.152 -5.297 8.200 390 HZ PHE 52 HZ PHE 52 -1.945 -7.613 8.033 391 H GLY 53 H GLY 53 3.338 -4.705 13.538 392 HA2 GLY 53 2HA GLY 53 5.279 -4.256 14.747 393 HA3 GLY 53 1HA GLY 53 5.824 -5.898 14.408 394 H GLY 54 H GLY 54 4.765 -3.557 12.124 395 HA2 GLY 54 2HA GLY 54 6.629 -4.192 10.171 396 HA3 GLY 54 1HA GLY 54 5.615 -2.772 10.176 397 H VAL 55 H VAL 55 6.929 -1.649 12.646 398 HA VAL 55 HA VAL 55 8.631 0.055 11.301 399 HB VAL 55 HB VAL 55 8.568 -0.550 14.274 400 HG11 VAL 55 1HG1 VAL 55 9.672 1.613 14.579 401 HG12 VAL 55 2HG1 VAL 55 9.819 1.777 12.822 402 HG13 VAL 55 3HG1 VAL 55 10.682 0.486 13.660 403 HG21 VAL 55 3HG2 VAL 55 7.224 1.481 14.396 404 HG22 VAL 55 1HG2 VAL 55 6.481 0.279 13.346 405 HG23 VAL 55 2HG2 VAL 55 7.327 1.654 12.640 406 H GLN 56 H GLN 56 9.616 -2.738 13.294 407 HA GLN 56 HA GLN 56 12.384 -2.357 12.857 408 HB2 GLN 56 2HB GLN 56 10.808 -4.787 13.698 409 HB3 GLN 56 1HB GLN 56 12.554 -4.677 13.674 410 HG2 GLN 56 2HG GLN 56 11.816 -4.382 15.928 411 HG3 GLN 56 1HG GLN 56 12.409 -2.836 15.339 412 HE21 GLN 56 1HE2 GLN 56 9.225 -4.236 14.583 413 HE22 GLN 56 2HE2 GLN 56 8.341 -3.030 15.447 414 H GLU 57 H GLU 57 10.038 -4.365 11.250 415 HA GLU 57 HA GLU 57 12.045 -5.540 9.628 416 HB2 GLU 57 2HB GLU 57 9.062 -5.453 9.160 417 HB3 GLU 57 1HB GLU 57 10.201 -6.475 8.287 418 HG2 GLU 57 2HG GLU 57 10.826 -7.522 10.445 419 HG3 GLU 57 1HG GLU 57 9.554 -6.576 11.213 420 H LEU 58 H LEU 58 10.121 -2.703 9.314 421 HA LEU 58 HA LEU 58 10.795 -2.167 6.589 422 HB2 LEU 58 2HB LEU 58 9.862 -0.294 8.763 423 HB3 LEU 58 1HB LEU 58 9.945 0.101 7.057 424 HG LEU 58 HG LEU 58 8.156 -1.997 8.285 425 HD11 LEU 58 1HD1 LEU 58 7.453 0.227 8.886 426 HD12 LEU 58 2HD1 LEU 58 6.334 -0.481 7.713 427 HD13 LEU 58 3HD1 LEU 58 7.514 0.726 7.195 428 HD21 LEU 58 3HD2 LEU 58 8.344 -0.984 5.459 429 HD22 LEU 58 1HD2 LEU 58 7.110 -2.082 6.070 430 HD23 LEU 58 2HD2 LEU 58 8.797 -2.591 6.018 431 H LEU 59 H LEU 59 12.012 -0.933 9.710 432 HA LEU 59 HA LEU 59 14.024 0.648 8.544 433 HB2 LEU 59 2HB LEU 59 13.820 -0.470 11.329 434 HB3 LEU 59 1HB LEU 59 15.061 0.661 10.827 435 HG LEU 59 HG LEU 59 12.085 1.206 10.902 436 HD11 LEU 59 1HD1 LEU 59 13.076 1.099 13.114 437 HD12 LEU 59 2HD1 LEU 59 12.658 2.757 12.690 438 HD13 LEU 59 3HD1 LEU 59 14.337 2.230 12.616 439 HD21 LEU 59 3HD2 LEU 59 14.392 3.016 10.181 440 HD22 LEU 59 1HD2 LEU 59 12.718 3.520 10.394 441 HD23 LEU 59 2HD2 LEU 59 13.143 2.433 9.075 442 H ASN 60 H ASN 60 14.062 -2.686 9.655 443 HA ASN 60 HA ASN 60 16.822 -3.002 9.102 444 HB2 ASN 60 2HB ASN 60 14.655 -5.066 9.405 445 HB3 ASN 60 1HB ASN 60 16.277 -5.533 8.915 446 HD21 ASN 60 1HD2 ASN 60 14.320 -4.302 11.478 447 HD22 ASN 60 2HD2 ASN 60 15.464 -4.500 12.750 448 H GLN 61 H GLN 61 14.086 -3.102 6.975 449 HA GLN 61 HA GLN 61 15.591 -4.129 4.741 450 HB2 GLN 61 2HB GLN 61 12.975 -2.610 4.842 451 HB3 GLN 61 1HB GLN 61 13.712 -3.148 3.346 452 HG2 GLN 61 2HG GLN 61 13.516 -5.457 4.074 453 HG3 GLN 61 1HG GLN 61 12.813 -4.916 5.599 454 HE21 GLN 61 1HE2 GLN 61 10.731 -4.149 5.618 455 HE22 GLN 61 2HE2 GLN 61 9.632 -4.423 4.306 456 H GLN 62 H GLN 62 15.124 -1.128 6.278 457 HA GLN 62 HA GLN 62 15.493 0.977 5.781 458 HB2 GLN 62 2HB GLN 62 17.888 1.525 5.502 459 HB3 GLN 62 1HB GLN 62 17.547 0.403 6.805 460 HG2 GLN 62 2HG GLN 62 18.159 -1.424 5.367 461 HG3 GLN 62 1HG GLN 62 18.553 -0.262 4.102 462 HE21 GLN 62 1HE2 GLN 62 20.394 1.053 4.333 463 HE22 GLN 62 2HE2 GLN 62 21.638 0.734 5.472 464 H LYS 63 H LYS 63 14.093 0.739 4.153 465 HA LYS 63 HA LYS 63 15.079 1.264 1.462 466 HB2 LYS 63 2HB LYS 63 12.312 1.086 2.575 467 HB3 LYS 63 1HB LYS 63 12.661 1.407 0.892 468 HG2 LYS 63 2HG LYS 63 13.694 -0.960 2.303 469 HG3 LYS 63 1HG LYS 63 12.060 -0.998 1.599 470 HD2 LYS 63 2HD LYS 63 13.191 -1.876 -0.208 471 HD3 LYS 63 1HD LYS 63 13.626 -0.211 -0.519 472 HE2 LYS 63 2HE LYS 63 15.333 -2.184 1.035 473 HE3 LYS 63 1HE LYS 63 15.514 -1.864 -0.675 474 HZ1 LYS 63 3HZ LYS 63 16.108 -0.049 1.606 475 HZ2 LYS 63 1HZ LYS 63 16.071 0.499 -0.024 476 HZ3 LYS 63 2HZ LYS 63 17.128 -0.701 0.495 477 H LYS 64 H LYS 64 15.320 3.061 0.692 478 HA LYS 64 HA LYS 64 14.797 5.390 2.346 479 HB2 LYS 64 2HB LYS 64 16.701 4.808 0.169 480 HB3 LYS 64 1HB LYS 64 16.258 6.471 0.501 481 HG2 LYS 64 2HG LYS 64 18.305 5.833 1.673 482 HG3 LYS 64 1HG LYS 64 17.000 6.266 2.786 483 HD2 LYS 64 2HD LYS 64 16.573 3.818 3.055 484 HD3 LYS 64 1HD LYS 64 18.037 3.518 2.114 485 HE2 LYS 64 2HE LYS 64 18.542 3.420 4.468 486 HE3 LYS 64 1HE LYS 64 19.324 4.825 3.748 487 HZ1 LYS 64 3HZ LYS 64 17.417 6.197 4.630 488 HZ2 LYS 64 1HZ LYS 64 18.325 5.442 5.841 489 HZ3 LYS 64 2HZ LYS 64 16.853 4.815 5.396 490 H SER 65 H SER 65 14.476 7.400 1.192 491 HA SER 65 HA SER 65 12.028 7.562 0.024 492 HB2 SER 65 2HB SER 65 12.857 9.866 -0.697 493 HB3 SER 65 1HB SER 65 12.968 9.453 1.019 494 HG SER 65 HG SER 65 15.094 9.199 0.869 495 H GLY 66 H GLY 66 11.297 6.804 -1.785 496 HA2 GLY 66 2HA GLY 66 11.273 6.926 -4.207 497 HA3 GLY 66 1HA GLY 66 13.032 6.840 -4.171 498 H GLU 67 H GLU 67 12.132 4.773 -1.830 499 HA GLU 67 HA GLU 67 11.908 2.502 -3.650 500 HB2 GLU 67 2HB GLU 67 13.080 2.587 -0.874 501 HB3 GLU 67 1HB GLU 67 12.947 1.172 -1.904 502 HG2 GLU 67 2HG GLU 67 14.480 2.310 -3.505 503 HG3 GLU 67 1HG GLU 67 14.691 3.577 -2.292 504 H VAL 68 H VAL 68 10.791 0.676 -2.653 505 HA VAL 68 HA VAL 68 8.731 1.574 -0.786 506 HB VAL 68 HB VAL 68 7.833 1.180 -3.106 507 HG11 VAL 68 1HG1 VAL 68 9.282 -0.659 -3.778 508 HG12 VAL 68 2HG1 VAL 68 7.573 -1.079 -3.964 509 HG13 VAL 68 3HG1 VAL 68 8.509 -1.711 -2.607 510 HG21 VAL 68 3HG2 VAL 68 5.937 -0.114 -2.470 511 HG22 VAL 68 1HG2 VAL 68 6.386 0.995 -1.176 512 HG23 VAL 68 2HG2 VAL 68 6.785 -0.728 -1.039 513 H ALA 69 H ALA 69 8.486 0.377 0.957 514 HA ALA 69 HA ALA 69 10.218 -1.961 1.261 515 HB1 ALA 69 1HB ALA 69 10.367 -0.236 3.002 516 HB2 ALA 69 2HB ALA 69 9.746 -1.747 3.663 517 HB3 ALA 69 3HB ALA 69 8.645 -0.412 3.329 518 H VAL 70 H VAL 70 9.374 -3.996 1.883 519 HA VAL 70 HA VAL 70 6.470 -4.191 1.455 520 HB VAL 70 HB VAL 70 8.487 -6.229 0.509 521 HG11 VAL 70 1HG1 VAL 70 5.545 -5.971 -0.065 522 HG12 VAL 70 2HG1 VAL 70 6.313 -7.168 0.969 523 HG13 VAL 70 3HG1 VAL 70 6.629 -7.171 -0.769 524 HG21 VAL 70 3HG2 VAL 70 7.062 -4.148 -1.168 525 HG22 VAL 70 1HG2 VAL 70 8.044 -5.471 -1.801 526 HG23 VAL 70 2HG2 VAL 70 8.792 -4.205 -0.828 527 H LEU 71 H LEU 71 5.422 -5.398 2.858 528 HA LEU 71 HA LEU 71 6.925 -7.202 4.641 529 HB2 LEU 71 2HB LEU 71 4.336 -5.750 5.261 530 HB3 LEU 71 1HB LEU 71 5.099 -6.912 6.291 531 HG LEU 71 HG LEU 71 6.208 -4.192 5.589 532 HD11 LEU 71 1HD1 LEU 71 5.862 -3.714 7.953 533 HD12 LEU 71 2HD1 LEU 71 5.173 -5.318 8.186 534 HD13 LEU 71 3HD1 LEU 71 4.344 -4.148 7.169 535 HD21 LEU 71 3HD2 LEU 71 8.028 -5.809 5.831 536 HD22 LEU 71 1HD2 LEU 71 7.364 -6.344 7.376 537 HD23 LEU 71 2HD2 LEU 71 7.983 -4.707 7.204 538 H LYS 72 H LYS 72 6.394 -9.272 4.375 539 HA LYS 72 HA LYS 72 3.890 -9.766 2.970 540 HB2 LYS 72 2HB LYS 72 5.838 -10.525 1.716 541 HB3 LYS 72 1HB LYS 72 6.331 -11.522 3.091 542 HG2 LYS 72 2HG LYS 72 4.303 -12.864 2.839 543 HG3 LYS 72 1HG LYS 72 3.806 -11.864 1.476 544 HD2 LYS 72 2HD LYS 72 5.816 -12.545 0.249 545 HD3 LYS 72 1HD LYS 72 6.296 -13.555 1.617 546 HE2 LYS 72 2HE LYS 72 3.762 -13.884 0.003 547 HE3 LYS 72 1HE LYS 72 5.223 -14.846 -0.189 548 HZ1 LYS 72 3HZ LYS 72 4.960 -15.656 2.047 549 HZ2 LYS 72 1HZ LYS 72 3.581 -15.978 1.158 550 HZ3 LYS 72 2HZ LYS 72 3.574 -14.737 2.295 551 H ARG 73 H ARG 73 2.424 -10.732 3.891 552 HA ARG 73 HA ARG 73 2.896 -12.586 6.093 553 HB2 ARG 73 2HB ARG 73 2.124 -10.251 6.906 554 HB3 ARG 73 1HB ARG 73 0.641 -10.542 6.020 555 HG2 ARG 73 2HG ARG 73 1.645 -12.296 8.247 556 HG3 ARG 73 1HG ARG 73 0.532 -10.963 8.493 557 HD2 ARG 73 2HD ARG 73 -1.093 -12.091 7.039 558 HD3 ARG 73 1HD ARG 73 0.044 -13.414 6.792 559 HE ARG 73 HE ARG 73 -0.167 -13.269 9.474 560 HH11 ARG 73 1HH1 ARG 73 -2.626 -13.539 6.946 561 HH12 ARG 73 2HH1 ARG 73 -3.702 -14.473 7.863 562 HH21 ARG 73 1HH2 ARG 73 -1.640 -14.527 10.770 563 HH22 ARG 73 2HH2 ARG 73 -3.123 -15.060 10.120 564 H ASP 74 H ASP 74 1.964 -14.439 5.505 565 HA ASP 74 HA ASP 74 1.253 -14.941 2.990 566 HB2 ASP 74 2HB ASP 74 1.759 -16.727 4.532 567 HB3 ASP 74 1HB ASP 74 0.227 -16.478 5.365 568 H GLY 75 H GLY 75 -0.123 -14.157 1.735 569 HA2 GLY 75 2HA GLY 75 -2.588 -14.332 1.221 570 HA3 GLY 75 1HA GLY 75 -2.785 -13.428 2.723 571 H ARG 76 H ARG 76 -0.803 -11.539 2.617 572 HA ARG 76 HA ARG 76 -1.380 -10.089 0.113 573 HB2 ARG 76 2HB ARG 76 -1.296 -8.909 2.865 574 HB3 ARG 76 1HB ARG 76 -1.553 -8.050 1.369 575 HG2 ARG 76 2HG ARG 76 -3.711 -9.220 1.127 576 HG3 ARG 76 1HG ARG 76 -3.426 -9.992 2.704 577 HD2 ARG 76 2HD ARG 76 -3.106 -7.817 3.696 578 HD3 ARG 76 1HD ARG 76 -3.481 -7.036 2.166 579 HE ARG 76 HE ARG 76 -5.307 -8.438 3.957 580 HH11 ARG 76 1HH1 ARG 76 -4.959 -6.729 0.876 581 HH12 ARG 76 2HH1 ARG 76 -6.453 -6.001 0.882 582 HH21 ARG 76 1HH2 ARG 76 -7.401 -7.380 4.067 583 HH22 ARG 76 2HH2 ARG 76 -7.897 -6.357 2.776 584 H TYR 77 H TYR 77 0.116 -8.398 -0.323 585 HA TYR 77 HA TYR 77 2.654 -8.468 1.130 586 HB2 TYR 77 2HB TYR 77 2.001 -7.547 -1.690 587 HB3 TYR 77 1HB TYR 77 3.565 -7.347 -0.921 588 HD1 TYR 77 2HD TYR 77 1.177 -9.814 -2.272 589 HD2 TYR 77 1HD TYR 77 5.111 -9.136 -0.827 590 HE1 TYR 77 2HE TYR 77 1.865 -12.016 -3.135 591 HE2 TYR 77 1HE TYR 77 5.813 -11.327 -1.684 592 HH TYR 77 HH TYR 77 3.884 -13.113 -3.822 593 H ILE 78 H ILE 78 2.970 -6.669 2.358 594 HA ILE 78 HA ILE 78 1.111 -4.444 1.951 595 HB ILE 78 HB ILE 78 3.076 -4.713 4.242 596 HG12 ILE 78 2HG1 ILE 78 1.666 -6.769 4.214 597 HG13 ILE 78 1HG1 ILE 78 1.344 -5.754 5.612 598 HG21 ILE 78 1HG2 ILE 78 0.427 -3.299 3.961 599 HG22 ILE 78 2HG2 ILE 78 2.018 -2.539 3.878 600 HG23 ILE 78 3HG2 ILE 78 1.461 -3.266 5.390 601 HD11 ILE 78 3HD1 ILE 78 -0.662 -4.909 4.515 602 HD12 ILE 78 1HD1 ILE 78 -0.675 -6.667 4.712 603 HD13 ILE 78 2HD1 ILE 78 -0.323 -5.954 3.126 604 H TYR 79 H TYR 79 1.857 -2.719 0.948 605 HA TYR 79 HA TYR 79 4.747 -2.410 0.602 606 HB2 TYR 79 2HB TYR 79 2.459 -1.280 -0.989 607 HB3 TYR 79 1HB TYR 79 4.145 -0.871 -1.259 608 HD1 TYR 79 1HD TYR 79 1.607 -3.511 -1.525 609 HD2 TYR 79 2HD TYR 79 5.621 -2.398 -2.339 610 HE1 TYR 79 1HE TYR 79 1.836 -5.433 -3.021 611 HE2 TYR 79 2HE TYR 79 5.851 -4.330 -3.839 612 HH TYR 79 HH TYR 79 3.227 -6.183 -4.863 613 H TYR 80 H TYR 80 5.759 -0.613 1.065 614 HA TYR 80 HA TYR 80 4.271 1.606 2.246 615 HB2 TYR 80 2HB TYR 80 6.800 0.326 3.257 616 HB3 TYR 80 1HB TYR 80 6.199 1.870 3.833 617 HD1 TYR 80 2HD TYR 80 5.693 -1.748 3.822 618 HD2 TYR 80 1HD TYR 80 4.273 1.980 5.276 619 HE1 TYR 80 2HE TYR 80 4.326 -2.920 5.467 620 HE2 TYR 80 1HE TYR 80 2.885 0.810 6.935 621 HH TYR 80 HH TYR 80 3.267 -2.485 7.621 622 H LEU 81 H LEU 81 4.466 3.046 0.693 623 HA LEU 81 HA LEU 81 6.750 3.370 -0.996 624 HB2 LEU 81 2HB LEU 81 4.467 5.260 -0.399 625 HB3 LEU 81 1HB LEU 81 5.548 5.341 -1.766 626 HG LEU 81 HG LEU 81 3.546 3.148 -1.261 627 HD11 LEU 81 1HD1 LEU 81 2.474 5.255 -1.827 628 HD12 LEU 81 2HD1 LEU 81 2.349 4.100 -3.154 629 HD13 LEU 81 3HD1 LEU 81 3.515 5.421 -3.242 630 HD21 LEU 81 3HD2 LEU 81 5.292 3.673 -3.668 631 HD22 LEU 81 1HD2 LEU 81 4.103 2.382 -3.463 632 HD23 LEU 81 2HD2 LEU 81 5.547 2.411 -2.468 633 H ILE 82 H ILE 82 8.585 4.287 -0.279 634 HA ILE 82 HA ILE 82 8.478 5.975 2.123 635 HB ILE 82 HB ILE 82 10.872 5.182 0.466 636 HG12 ILE 82 2HG1 ILE 82 9.793 3.140 1.372 637 HG13 ILE 82 1HG1 ILE 82 11.347 3.450 2.132 638 HG21 ILE 82 1HG2 ILE 82 12.099 5.848 2.422 639 HG22 ILE 82 2HG2 ILE 82 10.589 6.191 3.288 640 HG23 ILE 82 3HG2 ILE 82 11.035 7.167 1.895 641 HD11 ILE 82 3HD1 ILE 82 10.173 4.363 4.095 642 HD12 ILE 82 1HD1 ILE 82 9.716 2.697 3.753 643 HD13 ILE 82 2HD1 ILE 82 8.632 4.018 3.329 644 H THR 83 H THR 83 7.777 7.810 1.828 645 HA THR 83 HA THR 83 8.287 9.170 -0.589 646 HB THR 83 HB THR 83 7.130 11.077 0.591 647 HG1 THR 83 1HG THR 83 6.557 10.834 2.632 648 HG21 THR 83 3HG2 THR 83 5.980 9.468 -0.893 649 HG22 THR 83 1HG2 THR 83 4.919 9.988 0.428 650 HG23 THR 83 2HG2 THR 83 5.706 8.406 0.471 651 H LYS 84 H LYS 84 9.198 9.834 2.758 652 HA LYS 84 HA LYS 84 11.723 10.752 1.724 653 HB2 LYS 84 2HB LYS 84 9.891 12.789 2.968 654 HB3 LYS 84 1HB LYS 84 11.630 13.030 2.913 655 HG2 LYS 84 2HG LYS 84 9.769 12.740 0.533 656 HG3 LYS 84 1HG LYS 84 10.546 14.226 1.084 657 HD2 LYS 84 2HD LYS 84 12.759 13.272 0.567 658 HD3 LYS 84 1HD LYS 84 12.005 11.759 0.091 659 HE2 LYS 84 2HE LYS 84 10.834 12.966 -1.727 660 HE3 LYS 84 1HE LYS 84 11.718 14.426 -1.284 661 HZ1 LYS 84 3HZ LYS 84 12.909 11.873 -2.242 662 HZ2 LYS 84 1HZ LYS 84 13.815 13.182 -1.738 663 HZ3 LYS 84 2HZ LYS 84 12.847 13.274 -3.113 664 H LYS 85 H LYS 85 13.027 11.946 3.520 665 HA LYS 85 HA LYS 85 13.878 9.885 5.247 666 HB2 LYS 85 2HB LYS 85 14.556 12.817 5.368 667 HB3 LYS 85 1HB LYS 85 15.500 11.476 5.994 668 HG2 LYS 85 2HG LYS 85 15.843 10.673 3.678 669 HG3 LYS 85 1HG LYS 85 14.900 12.063 3.123 670 HD2 LYS 85 2HD LYS 85 16.542 13.589 4.059 671 HD3 LYS 85 1HD LYS 85 17.496 12.228 4.647 672 HE2 LYS 85 2HE LYS 85 17.788 11.448 2.328 673 HE3 LYS 85 1HE LYS 85 16.817 12.821 1.791 674 HZ1 LYS 85 3HZ LYS 85 18.481 14.319 2.534 675 HZ2 LYS 85 1HZ LYS 85 19.199 13.174 1.544 676 HZ3 LYS 85 2HZ LYS 85 19.406 13.093 3.222 677 H ARG 86 H ARG 86 11.508 12.353 5.669 678 HA ARG 86 HA ARG 86 11.304 11.807 8.558 679 HB2 ARG 86 2HB ARG 86 11.167 14.554 7.290 680 HB3 ARG 86 1HB ARG 86 10.939 14.183 8.987 681 HG2 ARG 86 2HG ARG 86 13.512 13.725 7.505 682 HG3 ARG 86 1HG ARG 86 13.141 15.202 8.388 683 HD2 ARG 86 2HD ARG 86 12.940 14.009 10.396 684 HD3 ARG 86 1HD ARG 86 13.138 12.450 9.576 685 HE ARG 86 HE ARG 86 15.380 13.501 8.878 686 HH11 ARG 86 1HH1 ARG 86 13.891 14.059 12.027 687 HH12 ARG 86 2HH1 ARG 86 15.352 14.078 12.893 688 HH21 ARG 86 1HH2 ARG 86 17.431 13.536 10.058 689 HH22 ARG 86 2HH2 ARG 86 17.419 13.768 11.735 690 H ALA 87 H ALA 87 9.104 11.969 9.266 691 HA ALA 87 HA ALA 87 7.193 11.578 7.194 692 HB1 ALA 87 1HB ALA 87 7.019 10.393 9.313 693 HB2 ALA 87 2HB ALA 87 5.563 11.331 9.001 694 HB3 ALA 87 3HB ALA 87 6.752 11.920 10.162 695 H SER 88 H SER 88 8.355 14.315 8.842 696 HA SER 88 HA SER 88 6.051 15.948 8.168 697 HB2 SER 88 2HB SER 88 8.653 16.681 9.519 698 HB3 SER 88 1HB SER 88 7.235 17.726 9.368 699 HG SER 88 HG SER 88 6.091 15.989 10.469 700 H HIS 89 H HIS 89 8.318 14.737 6.303 701 HA HIS 89 HA HIS 89 9.062 17.167 4.905 702 HB2 HIS 89 2HB HIS 89 9.771 14.288 4.501 703 HB3 HIS 89 1HB HIS 89 9.979 15.415 3.175 704 HD1 HIS 89 1HD HIS 89 12.593 14.767 3.407 705 HD2 HIS 89 2HD HIS 89 10.937 16.883 6.570 706 HE1 HIS 89 1HE HIS 89 14.516 15.517 4.701 707 HE2 HIS 89 2HE HIS 89 13.509 17.147 6.389 708 H LYS 90 H LYS 90 8.619 17.478 2.761 709 HA LYS 90 HA LYS 90 5.840 16.863 2.189 710 HB2 LYS 90 2HB LYS 90 7.733 18.834 0.905 711 HB3 LYS 90 1HB LYS 90 6.027 18.674 0.495 712 HG2 LYS 90 2HG LYS 90 5.382 19.302 2.734 713 HG3 LYS 90 1HG LYS 90 7.067 19.346 3.238 714 HD2 LYS 90 2HD LYS 90 7.473 21.189 1.688 715 HD3 LYS 90 1HD LYS 90 5.775 21.139 1.188 716 HE2 LYS 90 2HE LYS 90 5.064 21.673 3.444 717 HE3 LYS 90 1HE LYS 90 6.731 21.621 4.010 718 HZ1 LYS 90 3HZ LYS 90 5.588 23.603 2.098 719 HZ2 LYS 90 1HZ LYS 90 7.208 23.534 2.582 720 HZ3 LYS 90 2HZ LYS 90 5.985 23.875 3.692 721 HA PRO 91 HA PRO 91 7.062 13.688 -0.737 722 HB2 PRO 91 2HB PRO 91 4.290 13.852 -1.701 723 HB3 PRO 91 1HB PRO 91 5.140 12.491 -0.965 724 HG2 PRO 91 2HG PRO 91 3.209 13.829 0.346 725 HG3 PRO 91 1HG PRO 91 4.619 13.149 1.180 726 HD2 PRO 91 2HD PRO 91 4.075 15.981 0.383 727 HD3 PRO 91 1HD PRO 91 4.793 15.317 1.874 728 H THR 92 H THR 92 7.671 13.609 -2.898 729 HA THR 92 HA THR 92 6.964 15.902 -4.537 730 HB THR 92 HB THR 92 9.198 15.261 -5.668 731 HG1 THR 92 1HG THR 92 10.539 14.100 -4.327 732 HG21 THR 92 3HG2 THR 92 10.546 16.270 -3.962 733 HG22 THR 92 1HG2 THR 92 9.265 15.973 -2.785 734 HG23 THR 92 2HG2 THR 92 9.005 17.149 -4.113 735 H TYR 93 H TYR 93 6.754 15.397 -6.831 736 HA TYR 93 HA TYR 93 5.311 13.028 -7.308 737 HB2 TYR 93 2HB TYR 93 6.469 15.035 -9.226 738 HB3 TYR 93 1HB TYR 93 5.468 13.675 -9.710 739 HD1 TYR 93 2HD TYR 93 3.139 13.562 -9.062 740 HD2 TYR 93 1HD TYR 93 5.500 16.978 -8.202 741 HE1 TYR 93 2HE TYR 93 1.119 14.845 -8.683 742 HE2 TYR 93 1HE TYR 93 3.463 18.285 -7.819 743 HH TYR 93 HH TYR 93 1.163 18.230 -8.480 744 H GLU 94 H GLU 94 8.576 14.108 -8.179 745 HA GLU 94 HA GLU 94 9.429 11.903 -9.696 746 HB2 GLU 94 2HB GLU 94 10.562 14.003 -9.741 747 HB3 GLU 94 1HB GLU 94 10.719 14.043 -8.019 748 HG2 GLU 94 2HG GLU 94 12.115 11.927 -9.535 749 HG3 GLU 94 1HG GLU 94 12.753 13.582 -9.568 750 H ASN 95 H ASN 95 9.596 12.450 -6.300 751 HA ASN 95 HA ASN 95 10.954 9.979 -5.760 752 HB2 ASN 95 2HB ASN 95 11.013 11.923 -4.260 753 HB3 ASN 95 1HB ASN 95 9.315 11.743 -3.974 754 HD21 ASN 95 1HD2 ASN 95 8.560 10.062 -2.787 755 HD22 ASN 95 2HD2 ASN 95 9.613 9.138 -1.750 756 H LEU 96 H LEU 96 7.536 11.046 -5.384 757 HA LEU 96 HA LEU 96 6.535 8.598 -4.485 758 HB2 LEU 96 2HB LEU 96 5.318 10.756 -4.442 759 HB3 LEU 96 1HB LEU 96 5.146 10.680 -6.180 760 HG LEU 96 HG LEU 96 3.732 8.660 -5.932 761 HD11 LEU 96 1HD1 LEU 96 4.628 7.814 -3.823 762 HD12 LEU 96 2HD1 LEU 96 2.889 8.061 -3.708 763 HD13 LEU 96 3HD1 LEU 96 3.992 9.225 -2.975 764 HD21 LEU 96 3HD2 LEU 96 2.711 10.858 -6.091 765 HD22 LEU 96 1HD2 LEU 96 2.864 11.067 -4.347 766 HD23 LEU 96 2HD2 LEU 96 1.788 9.825 -4.992 767 H GLN 97 H GLN 97 7.130 9.823 -7.758 768 HA GLN 97 HA GLN 97 6.027 7.964 -9.377 769 HB2 GLN 97 2HB GLN 97 6.995 10.017 -10.102 770 HB3 GLN 97 1HB GLN 97 8.544 9.600 -9.408 771 HG2 GLN 97 2HG GLN 97 8.905 8.036 -10.938 772 HG3 GLN 97 1HG GLN 97 7.269 8.195 -11.705 773 HE21 GLN 97 1HE2 GLN 97 6.919 10.209 -12.845 774 HE22 GLN 97 2HE2 GLN 97 8.228 11.149 -13.428 775 H LYS 98 H LYS 98 9.217 8.025 -7.867 776 HA LYS 98 HA LYS 98 10.141 5.574 -8.850 777 HB2 LYS 98 2HB LYS 98 10.938 7.239 -6.493 778 HB3 LYS 98 1HB LYS 98 11.840 5.819 -6.981 779 HG2 LYS 98 2HG LYS 98 12.328 6.819 -9.117 780 HG3 LYS 98 1HG LYS 98 11.303 8.200 -8.731 781 HD2 LYS 98 2HD LYS 98 12.774 8.813 -6.916 782 HD3 LYS 98 1HD LYS 98 13.766 7.382 -7.222 783 HE2 LYS 98 2HE LYS 98 14.426 8.208 -9.351 784 HE3 LYS 98 1HE LYS 98 13.267 9.539 -9.257 785 HZ1 LYS 98 3HZ LYS 98 14.439 10.442 -7.464 786 HZ2 LYS 98 1HZ LYS 98 15.513 10.269 -8.755 787 HZ3 LYS 98 2HZ LYS 98 15.589 9.193 -7.434 788 H SER 99 H SER 99 8.464 6.394 -5.849 789 HA SER 99 HA SER 99 8.659 3.785 -4.737 790 HB2 SER 99 2HB SER 99 6.916 4.558 -3.119 791 HB3 SER 99 1HB SER 99 8.193 5.721 -3.303 792 HG SER 99 HG SER 99 6.315 6.340 -5.094 793 H LEU 100 H LEU 100 6.175 5.233 -6.901 794 HA LEU 100 HA LEU 100 4.486 2.973 -6.973 795 HB2 LEU 100 2HB LEU 100 4.967 5.359 -8.730 796 HB3 LEU 100 1HB LEU 100 3.945 4.063 -9.291 797 HG LEU 100 HG LEU 100 2.840 6.099 -8.314 798 HD11 LEU 100 1HD1 LEU 100 1.097 4.753 -7.146 799 HD12 LEU 100 2HD1 LEU 100 2.219 3.391 -7.115 800 HD13 LEU 100 3HD1 LEU 100 1.633 4.016 -8.655 801 HD21 LEU 100 3HD2 LEU 100 2.538 6.181 -5.876 802 HD22 LEU 100 1HD2 LEU 100 4.222 6.422 -6.346 803 HD23 LEU 100 2HD2 LEU 100 3.701 4.867 -5.704 804 H GLU 101 H GLU 101 7.256 3.940 -8.976 805 HA GLU 101 HA GLU 101 7.173 1.845 -10.846 806 HB2 GLU 101 2HB GLU 101 9.626 3.150 -9.663 807 HB3 GLU 101 1HB GLU 101 9.571 2.231 -11.161 808 HG2 GLU 101 2HG GLU 101 8.024 3.828 -12.036 809 HG3 GLU 101 1HG GLU 101 8.172 4.805 -10.590 810 H ALA 102 H ALA 102 8.780 2.159 -7.866 811 HA ALA 102 HA ALA 102 10.030 -0.335 -7.671 812 HB1 ALA 102 1HB ALA 102 10.416 1.600 -6.105 813 HB2 ALA 102 2HB ALA 102 10.251 0.028 -5.316 814 HB3 ALA 102 3HB ALA 102 8.907 1.145 -5.300 815 H MET 103 H MET 103 6.760 0.574 -6.590 816 HA MET 103 HA MET 103 6.058 -1.972 -5.605 817 HB2 MET 103 2HB MET 103 4.367 0.256 -6.624 818 HB3 MET 103 1HB MET 103 3.633 -1.236 -6.093 819 HG2 MET 103 2HG MET 103 4.811 -0.843 -3.921 820 HG3 MET 103 1HG MET 103 5.168 0.786 -4.526 821 HE1 MET 103 3HE MET 103 3.209 2.458 -5.340 822 HE2 MET 103 1HE MET 103 1.492 2.128 -5.131 823 HE3 MET 103 2HE MET 103 2.432 1.204 -6.301 824 H LYS 104 H LYS 104 5.378 -0.515 -8.794 825 HA LYS 104 HA LYS 104 3.984 -2.727 -9.728 826 HB2 LYS 104 2HB LYS 104 4.091 -1.699 -11.905 827 HB3 LYS 104 1HB LYS 104 3.825 -0.483 -10.695 828 HG2 LYS 104 2HG LYS 104 5.242 0.477 -12.190 829 HG3 LYS 104 1HG LYS 104 6.300 0.017 -10.852 830 HD2 LYS 104 2HD LYS 104 6.978 -1.987 -12.132 831 HD3 LYS 104 1HD LYS 104 5.922 -1.459 -13.449 832 HE2 LYS 104 2HE LYS 104 7.258 0.558 -13.720 833 HE3 LYS 104 1HE LYS 104 8.303 0.059 -12.389 834 HZ1 LYS 104 3HZ LYS 104 9.235 -0.417 -14.574 835 HZ2 LYS 104 1HZ LYS 104 7.959 -1.437 -14.935 836 HZ3 LYS 104 2HZ LYS 104 9.051 -1.825 -13.694 837 H SER 105 H SER 105 7.387 -1.997 -9.716 838 HA SER 105 HA SER 105 8.287 -4.028 -11.413 839 HB2 SER 105 2HB SER 105 9.688 -2.135 -10.646 840 HB3 SER 105 1HB SER 105 9.650 -2.775 -9.010 841 HG SER 105 HG SER 105 11.224 -3.390 -11.061 842 H HIS 106 H HIS 106 7.896 -3.908 -7.891 843 HA HIS 106 HA HIS 106 8.656 -6.611 -7.411 844 HB2 HIS 106 2HB HIS 106 8.632 -4.915 -5.623 845 HB3 HIS 106 1HB HIS 106 6.875 -4.844 -5.737 846 HD1 HIS 106 1HD HIS 106 5.786 -6.200 -3.965 847 HD2 HIS 106 2HD HIS 106 9.308 -7.855 -5.299 848 HE1 HIS 106 1HE HIS 106 6.068 -8.142 -2.549 849 HE2 HIS 106 2HE HIS 106 8.428 -8.944 -3.042 850 H CYS 107 H CYS 107 5.541 -5.170 -8.124 851 HA CYS 107 HA CYS 107 4.065 -7.422 -7.510 852 HB2 CYS 107 2HB CYS 107 3.499 -5.254 -9.539 853 HB3 CYS 107 1HB CYS 107 2.310 -6.427 -8.986 854 HG CYS 107 HG CYS 107 3.745 -3.887 -7.293 855 H LEU 108 H LEU 108 5.872 -6.559 -10.389 856 HA LEU 108 HA LEU 108 4.903 -8.581 -12.116 857 HB2 LEU 108 2HB LEU 108 7.540 -7.154 -12.052 858 HB3 LEU 108 1HB LEU 108 6.919 -8.091 -13.390 859 HG LEU 108 HG LEU 108 5.769 -5.524 -12.323 860 HD11 LEU 108 1HD1 LEU 108 7.229 -6.148 -14.872 861 HD12 LEU 108 2HD1 LEU 108 7.846 -5.233 -13.494 862 HD13 LEU 108 3HD1 LEU 108 6.511 -4.587 -14.451 863 HD21 LEU 108 3HD2 LEU 108 4.062 -7.016 -13.134 864 HD22 LEU 108 1HD2 LEU 108 4.926 -7.224 -14.655 865 HD23 LEU 108 2HD2 LEU 108 4.250 -5.640 -14.230 866 H LYS 109 H LYS 109 7.516 -8.352 -9.810 867 HA LYS 109 HA LYS 109 9.031 -10.560 -10.645 868 HB2 LYS 109 2HB LYS 109 8.817 -9.323 -7.922 869 HB3 LYS 109 1HB LYS 109 10.132 -10.359 -8.480 870 HG2 LYS 109 2HG LYS 109 10.641 -8.787 -10.186 871 HG3 LYS 109 1HG LYS 109 9.350 -7.730 -9.659 872 HD2 LYS 109 2HD LYS 109 10.461 -7.581 -7.411 873 HD3 LYS 109 1HD LYS 109 11.827 -8.462 -8.090 874 HE2 LYS 109 2HE LYS 109 12.191 -6.726 -9.735 875 HE3 LYS 109 1HE LYS 109 10.766 -5.861 -9.173 876 HZ1 LYS 109 3HZ LYS 109 13.236 -6.343 -7.599 877 HZ2 LYS 109 1HZ LYS 109 11.855 -5.540 -7.046 878 HZ3 LYS 109 2HZ LYS 109 12.751 -4.879 -8.297 879 H ASN 110 H ASN 110 6.536 -10.327 -8.256 880 HA ASN 110 HA ASN 110 6.688 -13.284 -7.941 881 HB2 ASN 110 2HB ASN 110 5.637 -13.085 -5.721 882 HB3 ASN 110 1HB ASN 110 7.157 -12.211 -5.810 883 HD21 ASN 110 1HD2 ASN 110 7.111 -9.998 -5.879 884 HD22 ASN 110 2HD2 ASN 110 5.734 -9.081 -5.391 885 H GLY 111 H GLY 111 4.569 -10.881 -9.083 886 HA2 GLY 111 2HA GLY 111 2.735 -11.531 -10.404 887 HA3 GLY 111 1HA GLY 111 2.573 -12.989 -9.442 888 H VAL 112 H VAL 112 2.426 -9.464 -8.998 889 HA VAL 112 HA VAL 112 -0.021 -9.864 -7.428 890 HB VAL 112 HB VAL 112 1.986 -7.583 -7.242 891 HG11 VAL 112 1HG1 VAL 112 -0.278 -6.777 -6.945 892 HG12 VAL 112 2HG1 VAL 112 0.599 -6.730 -5.413 893 HG13 VAL 112 3HG1 VAL 112 -0.582 -8.011 -5.723 894 HG21 VAL 112 3HG2 VAL 112 2.344 -8.365 -4.955 895 HG22 VAL 112 1HG2 VAL 112 2.742 -9.614 -6.137 896 HG23 VAL 112 2HG2 VAL 112 1.221 -9.690 -5.246 897 H THR 113 H THR 113 -1.774 -9.148 -8.376 898 HA THR 113 HA THR 113 -1.607 -6.989 -10.420 899 HB THR 113 HB THR 113 -3.468 -8.164 -11.552 900 HG1 THR 113 1HG THR 113 -4.058 -9.457 -9.557 901 HG21 THR 113 3HG2 THR 113 -1.173 -8.532 -12.360 902 HG22 THR 113 1HG2 THR 113 -2.145 -9.994 -12.551 903 HG23 THR 113 2HG2 THR 113 -0.988 -9.866 -11.223 904 H ASP 114 H ASP 114 -2.335 -7.281 -7.427 905 HA ASP 114 HA ASP 114 -4.849 -5.818 -7.665 906 HB2 ASP 114 2HB ASP 114 -4.474 -8.201 -5.826 907 HB3 ASP 114 1HB ASP 114 -5.907 -7.183 -5.915 908 H LEU 115 H LEU 115 -4.672 -4.055 -6.476 909 HA LEU 115 HA LEU 115 -3.074 -4.033 -4.025 910 HB2 LEU 115 2HB LEU 115 -2.700 -2.232 -6.391 911 HB3 LEU 115 1HB LEU 115 -2.208 -1.706 -4.806 912 HG LEU 115 HG LEU 115 -1.135 -4.150 -6.230 913 HD11 LEU 115 1HD1 LEU 115 0.885 -2.792 -6.564 914 HD12 LEU 115 2HD1 LEU 115 0.105 -1.423 -5.759 915 HD13 LEU 115 3HD1 LEU 115 -0.480 -1.994 -7.323 916 HD21 LEU 115 3HD2 LEU 115 0.550 -4.135 -4.485 917 HD22 LEU 115 1HD2 LEU 115 -1.070 -4.268 -3.791 918 HD23 LEU 115 2HD2 LEU 115 -0.221 -2.730 -3.742 919 H SER 116 H SER 116 -3.819 -2.734 -2.480 920 HA SER 116 HA SER 116 -5.908 -0.805 -3.154 921 HB2 SER 116 2HB SER 116 -5.915 -2.592 -0.695 922 HB3 SER 116 1HB SER 116 -7.096 -1.361 -1.101 923 HG SER 116 HG SER 116 -6.926 -3.887 -1.842 924 H MET 117 H MET 117 -5.668 1.118 -2.134 925 HA MET 117 HA MET 117 -3.850 1.339 0.088 926 HB2 MET 117 2HB MET 117 -2.416 3.024 -0.937 927 HB3 MET 117 1HB MET 117 -2.354 1.568 -1.880 928 HG2 MET 117 2HG MET 117 -4.004 2.587 -3.498 929 HG3 MET 117 1HG MET 117 -3.883 4.085 -2.599 930 HE1 MET 117 3HE MET 117 -0.521 2.139 -5.065 931 HE2 MET 117 1HE MET 117 -2.155 1.509 -4.916 932 HE3 MET 117 2HE MET 117 -1.062 1.437 -3.537 933 HA PRO 118 HA PRO 118 -6.814 4.507 0.866 934 HB2 PRO 118 2HB PRO 118 -5.576 5.941 2.777 935 HB3 PRO 118 1HB PRO 118 -6.122 4.284 3.064 936 HG2 PRO 118 2HG PRO 118 -3.375 5.316 2.672 937 HG3 PRO 118 1HG PRO 118 -3.938 3.872 3.531 938 HD2 PRO 118 2HD PRO 118 -2.841 4.024 0.920 939 HD3 PRO 118 1HD PRO 118 -3.503 2.601 1.745 940 H ARG 119 H ARG 119 -6.487 7.104 1.523 941 HA ARG 119 HA ARG 119 -5.697 8.221 -0.975 942 HB2 ARG 119 2HB ARG 119 -7.670 9.073 0.212 943 HB3 ARG 119 1HB ARG 119 -6.642 9.601 1.535 944 HG2 ARG 119 2HG ARG 119 -5.516 11.159 0.027 945 HG3 ARG 119 1HG ARG 119 -6.582 10.651 -1.283 946 HD2 ARG 119 2HD ARG 119 -8.513 11.383 0.011 947 HD3 ARG 119 1HD ARG 119 -7.448 11.888 1.319 948 HE ARG 119 HE ARG 119 -6.634 13.151 -1.025 949 HH11 ARG 119 1HH1 ARG 119 -9.354 13.156 1.289 950 HH12 ARG 119 2HH1 ARG 119 -9.807 14.751 0.987 951 HH21 ARG 119 1HH2 ARG 119 -7.258 15.406 -1.463 952 HH22 ARG 119 2HH2 ARG 119 -8.568 16.075 -0.638 953 H ILE 120 H ILE 120 -3.552 7.672 -0.981 954 HA ILE 120 HA ILE 120 -1.615 8.601 0.836 955 HB ILE 120 HB ILE 120 0.012 8.157 -1.065 956 HG12 ILE 120 2HG1 ILE 120 -2.551 7.402 -2.481 957 HG13 ILE 120 1HG1 ILE 120 -1.457 8.713 -2.941 958 HG21 ILE 120 1HG2 ILE 120 -0.556 6.418 0.551 959 HG22 ILE 120 2HG2 ILE 120 -0.354 5.713 -1.053 960 HG23 ILE 120 3HG2 ILE 120 -1.971 5.974 -0.402 961 HD11 ILE 120 3HD1 ILE 120 -1.301 6.809 -4.407 962 HD12 ILE 120 1HD1 ILE 120 -0.947 5.750 -3.056 963 HD13 ILE 120 2HD1 ILE 120 0.232 6.989 -3.530 964 H GLY 121 H GLY 121 -3.086 10.042 -1.958 965 HA2 GLY 121 2HA GLY 121 -1.496 12.468 -1.630 966 HA3 GLY 121 1HA GLY 121 -2.683 12.197 -2.907 967 H CYS 122 H CYS 122 -2.246 12.869 0.475 968 HA CYS 122 HA CYS 122 -4.979 13.145 1.152 969 HB2 CYS 122 2HB CYS 122 -2.534 14.210 2.560 970 HB3 CYS 122 1HB CYS 122 -4.146 14.077 3.255 971 HG CYS 122 HG CYS 122 -3.479 11.106 2.165 972 H GLY 123 H GLY 123 -3.148 15.151 -0.738 973 HA2 GLY 123 2HA GLY 123 -3.992 17.118 -1.735 974 HA3 GLY 123 1HA GLY 123 -5.071 17.314 -0.357 975 H LEU 124 H LEU 124 -1.939 17.951 -1.661 976 HA LEU 124 HA LEU 124 -1.295 19.534 0.707 977 HB2 LEU 124 2HB LEU 124 0.580 18.204 -1.276 978 HB3 LEU 124 1HB LEU 124 1.092 19.297 -0.018 979 HG LEU 124 HG LEU 124 1.657 17.136 0.686 980 HD11 LEU 124 1HD1 LEU 124 0.837 18.472 2.460 981 HD12 LEU 124 2HD1 LEU 124 0.400 16.785 2.732 982 HD13 LEU 124 3HD1 LEU 124 -0.817 17.929 2.164 983 HD21 LEU 124 3HD2 LEU 124 0.267 15.788 -0.790 984 HD22 LEU 124 1HD2 LEU 124 -1.174 16.240 0.122 985 HD23 LEU 124 2HD2 LEU 124 0.077 15.252 0.878 986 H ASP 125 H ASP 125 0.556 21.172 -0.263 987 HA ASP 125 HA ASP 125 -0.941 22.797 -2.134 988 HB2 ASP 125 2HB ASP 125 0.186 23.860 -0.217 989 HB3 ASP 125 1HB ASP 125 1.742 23.298 -0.812 990 H ARG 126 H ARG 126 2.140 21.121 -1.986 991 HA ARG 126 HA ARG 126 2.897 21.884 -4.643 992 HB2 ARG 126 2HB ARG 126 4.131 19.876 -2.762 993 HB3 ARG 126 1HB ARG 126 4.811 20.333 -4.315 994 HG2 ARG 126 2HG ARG 126 4.350 22.207 -2.002 995 HG3 ARG 126 1HG ARG 126 5.896 21.474 -2.427 996 HD2 ARG 126 2HD ARG 126 5.824 22.620 -4.601 997 HD3 ARG 126 1HD ARG 126 4.273 23.337 -4.171 998 HE ARG 126 HE ARG 126 6.019 24.004 -2.160 999 HH11 ARG 126 1HH1 ARG 126 5.809 24.646 -5.650 1000 HH12 ARG 126 2HH1 ARG 126 6.557 26.162 -5.558 1001 HH21 ARG 126 1HH2 ARG 126 7.074 26.121 -2.044 1002 HH22 ARG 126 2HH2 ARG 126 7.267 27.015 -3.483 1003 H LEU 127 H LEU 127 1.046 19.261 -3.353 1004 HA LEU 127 HA LEU 127 0.742 18.330 -6.035 1005 HB2 LEU 127 2HB LEU 127 1.044 15.970 -5.582 1006 HB3 LEU 127 1HB LEU 127 2.519 16.873 -5.369 1007 HG LEU 127 HG LEU 127 0.798 15.932 -3.073 1008 HD11 LEU 127 1HD1 LEU 127 2.421 14.116 -2.897 1009 HD12 LEU 127 2HD1 LEU 127 3.245 14.725 -4.348 1010 HD13 LEU 127 3HD1 LEU 127 1.598 14.111 -4.471 1011 HD21 LEU 127 3HD2 LEU 127 2.303 17.806 -2.653 1012 HD22 LEU 127 1HD2 LEU 127 3.648 16.857 -3.287 1013 HD23 LEU 127 2HD2 LEU 127 2.837 16.352 -1.788 1014 H GLN 128 H GLN 128 -1.051 17.151 -6.446 1015 HA GLN 128 HA GLN 128 -3.110 17.137 -4.312 1016 HB2 GLN 128 2HB GLN 128 -3.655 17.856 -7.199 1017 HB3 GLN 128 1HB GLN 128 -4.754 17.960 -5.838 1018 HG2 GLN 128 2HG GLN 128 -3.259 19.695 -4.853 1019 HG3 GLN 128 1HG GLN 128 -2.340 19.551 -6.363 1020 HE21 GLN 128 1HE2 GLN 128 -3.889 21.796 -5.157 1021 HE22 GLN 128 2HE2 GLN 128 -4.952 22.329 -6.408 1022 H TRP 129 H TRP 129 -4.873 15.580 -4.787 1023 HA TRP 129 HA TRP 129 -3.828 13.103 -5.516 1024 HB2 TRP 129 2HB TRP 129 -5.743 13.224 -4.013 1025 HB3 TRP 129 1HB TRP 129 -6.748 13.905 -5.294 1026 HD1 TRP 129 HD TRP 129 -7.926 12.224 -6.899 1027 HE1 TRP 129 1HE TRP 129 -7.890 9.699 -7.202 1028 HE3 TRP 129 3HE TRP 129 -4.130 11.133 -3.704 1029 HZ2 TRP 129 2HZ TRP 129 -6.374 7.448 -6.164 1030 HZ3 TRP 129 3HZ TRP 129 -3.456 8.812 -3.414 1031 HH2 TRP 129 HH TRP 129 -4.561 7.005 -4.621 1032 H GLU 130 H GLU 130 -5.609 15.430 -7.391 1033 HA GLU 130 HA GLU 130 -6.263 13.937 -9.644 1034 HB2 GLU 130 2HB GLU 130 -7.034 16.232 -9.243 1035 HB3 GLU 130 1HB GLU 130 -5.403 16.831 -9.501 1036 HG2 GLU 130 2HG GLU 130 -5.497 16.021 -11.815 1037 HG3 GLU 130 1HG GLU 130 -7.151 15.481 -11.550 1038 H ASN 131 H ASN 131 -3.259 15.575 -8.802 1039 HA ASN 131 HA ASN 131 -2.013 14.916 -11.307 1040 HB2 ASN 131 2HB ASN 131 -0.785 15.935 -8.747 1041 HB3 ASN 131 1HB ASN 131 0.012 15.863 -10.305 1042 HD21 ASN 131 1HD2 ASN 131 -2.301 17.525 -8.366 1043 HD22 ASN 131 2HD2 ASN 131 -2.561 18.854 -9.431 1044 H VAL 132 H VAL 132 -2.077 13.624 -8.071 1045 HA VAL 132 HA VAL 132 0.038 11.773 -8.322 1046 HB VAL 132 HB VAL 132 -2.396 11.651 -6.506 1047 HG11 VAL 132 1HG1 VAL 132 -1.390 9.446 -6.727 1048 HG12 VAL 132 2HG1 VAL 132 -1.069 10.110 -5.121 1049 HG13 VAL 132 3HG1 VAL 132 0.197 10.113 -6.349 1050 HG21 VAL 132 3HG2 VAL 132 -0.871 12.516 -4.787 1051 HG22 VAL 132 1HG2 VAL 132 -1.037 13.637 -6.139 1052 HG23 VAL 132 2HG2 VAL 132 0.410 12.638 -5.992 1053 H SER 133 H SER 133 -3.492 11.284 -8.607 1054 HA SER 133 HA SER 133 -3.503 8.626 -9.240 1055 HB2 SER 133 2HB SER 133 -5.737 9.176 -10.316 1056 HB3 SER 133 1HB SER 133 -5.536 9.699 -8.644 1057 HG SER 133 HG SER 133 -5.356 11.752 -9.277 1058 H ALA 134 H ALA 134 -3.221 11.383 -11.427 1059 HA ALA 134 HA ALA 134 -3.281 10.054 -13.858 1060 HB1 ALA 134 1HB ALA 134 -3.321 12.492 -13.632 1061 HB2 ALA 134 2HB ALA 134 -2.071 11.964 -14.760 1062 HB3 ALA 134 3HB ALA 134 -1.632 12.465 -13.128 1063 H MET 135 H MET 135 -0.480 10.849 -11.851 1064 HA MET 135 HA MET 135 1.444 9.658 -13.522 1065 HB2 MET 135 2HB MET 135 2.041 11.346 -11.856 1066 HB3 MET 135 1HB MET 135 1.587 10.243 -10.566 1067 HG2 MET 135 2HG MET 135 3.402 8.775 -11.116 1068 HG3 MET 135 1HG MET 135 3.800 9.733 -12.534 1069 HE1 MET 135 3HE MET 135 4.312 11.266 -8.208 1070 HE2 MET 135 1HE MET 135 3.693 9.659 -8.589 1071 HE3 MET 135 2HE MET 135 2.739 11.095 -8.977 1072 H ILE 136 H ILE 136 -0.447 8.377 -10.871 1073 HA ILE 136 HA ILE 136 0.864 5.907 -10.571 1074 HB ILE 136 HB ILE 136 -2.074 6.565 -10.208 1075 HG12 ILE 136 2HG1 ILE 136 0.178 6.381 -8.195 1076 HG13 ILE 136 1HG1 ILE 136 -0.573 7.863 -8.764 1077 HG21 ILE 136 1HG2 ILE 136 -2.214 4.537 -8.816 1078 HG22 ILE 136 2HG2 ILE 136 -0.549 4.138 -9.239 1079 HG23 ILE 136 3HG2 ILE 136 -1.795 4.156 -10.485 1080 HD11 ILE 136 3HD1 ILE 136 -1.930 5.693 -7.174 1081 HD12 ILE 136 1HD1 ILE 136 -2.692 7.177 -7.753 1082 HD13 ILE 136 2HD1 ILE 136 -1.395 7.255 -6.559 1083 H GLU 137 H GLU 137 -1.843 6.851 -12.650 1084 HA GLU 137 HA GLU 137 -2.104 4.330 -13.896 1085 HB2 GLU 137 2HB GLU 137 -2.942 7.047 -14.899 1086 HB3 GLU 137 1HB GLU 137 -3.450 5.509 -15.582 1087 HG2 GLU 137 2HG GLU 137 -4.519 4.936 -13.459 1088 HG3 GLU 137 1HG GLU 137 -4.026 6.495 -12.803 1089 H GLU 138 H GLU 138 -0.103 7.099 -14.534 1090 HA GLU 138 HA GLU 138 0.762 6.503 -17.120 1091 HB2 GLU 138 2HB GLU 138 2.228 7.829 -14.868 1092 HB3 GLU 138 1HB GLU 138 2.808 7.775 -16.523 1093 HG2 GLU 138 2HG GLU 138 0.299 9.107 -15.526 1094 HG3 GLU 138 1HG GLU 138 1.797 9.848 -16.071 1095 H VAL 139 H VAL 139 2.189 5.654 -14.004 1096 HA VAL 139 HA VAL 139 4.286 4.115 -15.159 1097 HB VAL 139 HB VAL 139 3.259 4.068 -12.303 1098 HG11 VAL 139 1HG1 VAL 139 4.588 2.114 -12.902 1099 HG12 VAL 139 2HG1 VAL 139 5.427 3.117 -11.714 1100 HG13 VAL 139 3HG1 VAL 139 5.912 3.144 -13.418 1101 HG21 VAL 139 3HG2 VAL 139 5.117 5.602 -11.816 1102 HG22 VAL 139 1HG2 VAL 139 3.979 6.307 -12.965 1103 HG23 VAL 139 2HG2 VAL 139 5.515 5.657 -13.534 1104 H PHE 140 H PHE 140 1.209 3.291 -13.629 1105 HA PHE 140 HA PHE 140 1.682 0.519 -13.863 1106 HB2 PHE 140 2HB PHE 140 -0.600 2.096 -12.875 1107 HB3 PHE 140 1HB PHE 140 -0.875 0.420 -13.330 1108 HD1 PHE 140 2HD PHE 140 0.323 -1.384 -12.187 1109 HD2 PHE 140 1HD PHE 140 0.592 2.656 -10.869 1110 HE1 PHE 140 2HE PHE 140 1.098 -2.153 -10.010 1111 HE2 PHE 140 1HE PHE 140 1.388 1.852 -8.667 1112 HZ PHE 140 HZ PHE 140 1.610 -0.631 -8.288 1113 H GLU 141 H GLU 141 0.478 2.672 -16.272 1114 HA GLU 141 HA GLU 141 -1.293 0.910 -17.488 1115 HB2 GLU 141 2HB GLU 141 -1.178 3.301 -18.019 1116 HB3 GLU 141 1HB GLU 141 0.410 3.079 -18.727 1117 HG2 GLU 141 2HG GLU 141 -0.442 1.705 -20.405 1118 HG3 GLU 141 1HG GLU 141 -2.049 1.697 -19.671 1119 H ALA 142 H ALA 142 2.118 0.943 -17.410 1120 HA ALA 142 HA ALA 142 2.436 -0.904 -19.621 1121 HB1 ALA 142 1HB ALA 142 4.824 -0.784 -19.109 1122 HB2 ALA 142 2HB ALA 142 4.468 0.119 -17.636 1123 HB3 ALA 142 3HB ALA 142 4.124 0.833 -19.212 1124 H THR 143 H THR 143 1.165 -1.387 -16.746 1125 HA THR 143 HA THR 143 2.180 -4.129 -16.476 1126 HB THR 143 HB THR 143 2.029 -3.901 -13.979 1127 HG1 THR 143 1HG THR 143 1.066 -1.478 -14.684 1128 HG21 THR 143 3HG2 THR 143 3.964 -1.961 -15.239 1129 HG22 THR 143 1HG2 THR 143 4.234 -3.700 -15.056 1130 HG23 THR 143 2HG2 THR 143 4.086 -2.664 -13.627 1131 H ASP 144 H ASP 144 0.477 -5.216 -14.681 1132 HA ASP 144 HA ASP 144 -2.095 -3.995 -15.212 1133 HB2 ASP 144 2HB ASP 144 -1.766 -5.755 -16.911 1134 HB3 ASP 144 1HB ASP 144 -1.644 -6.944 -15.620 1135 H ILE 145 H ILE 145 -1.673 -3.305 -12.995 1136 HA ILE 145 HA ILE 145 -2.652 -5.354 -11.191 1137 HB ILE 145 HB ILE 145 -1.073 -2.817 -10.437 1138 HG12 ILE 145 2HG1 ILE 145 0.554 -4.333 -9.478 1139 HG13 ILE 145 1HG1 ILE 145 -0.226 -5.723 -10.205 1140 HG21 ILE 145 1HG2 ILE 145 -2.221 -4.903 -8.697 1141 HG22 ILE 145 2HG2 ILE 145 -2.697 -3.191 -8.814 1142 HG23 ILE 145 3HG2 ILE 145 -1.077 -3.647 -8.244 1143 HD11 ILE 145 3HD1 ILE 145 1.092 -3.411 -11.515 1144 HD12 ILE 145 1HD1 ILE 145 0.278 -4.724 -12.397 1145 HD13 ILE 145 2HD1 ILE 145 1.726 -5.056 -11.410 1146 H LYS 146 H LYS 146 -4.555 -5.033 -10.231 1147 HA LYS 146 HA LYS 146 -6.248 -2.821 -11.054 1148 HB2 LYS 146 2HB LYS 146 -6.816 -5.025 -9.054 1149 HB3 LYS 146 1HB LYS 146 -7.981 -4.054 -9.936 1150 HG2 LYS 146 2HG LYS 146 -6.120 -6.064 -11.181 1151 HG3 LYS 146 1HG LYS 146 -7.791 -6.381 -10.733 1152 HD2 LYS 146 2HD LYS 146 -8.565 -4.775 -12.360 1153 HD3 LYS 146 1HD LYS 146 -6.904 -4.287 -12.722 1154 HE2 LYS 146 2HE LYS 146 -7.813 -5.847 -14.411 1155 HE3 LYS 146 1HE LYS 146 -6.396 -6.479 -13.585 1156 HZ1 LYS 146 3HZ LYS 146 -8.076 -8.181 -13.815 1157 HZ2 LYS 146 1HZ LYS 146 -9.236 -7.279 -13.020 1158 HZ3 LYS 146 2HZ LYS 146 -7.875 -7.863 -12.208 1159 H ILE 147 H ILE 147 -6.170 -0.950 -9.841 1160 HA ILE 147 HA ILE 147 -5.162 -1.214 -7.105 1161 HB ILE 147 HB ILE 147 -5.135 1.220 -8.903 1162 HG12 ILE 147 2HG1 ILE 147 -2.843 -0.545 -8.038 1163 HG13 ILE 147 1HG1 ILE 147 -3.649 -0.677 -9.597 1164 HG21 ILE 147 1HG2 ILE 147 -5.246 1.803 -6.507 1165 HG22 ILE 147 2HG2 ILE 147 -3.668 2.196 -7.168 1166 HG23 ILE 147 3HG2 ILE 147 -3.874 0.749 -6.185 1167 HD11 ILE 147 3HD1 ILE 147 -1.574 0.553 -9.724 1168 HD12 ILE 147 1HD1 ILE 147 -2.198 1.741 -8.571 1169 HD13 ILE 147 2HD1 ILE 147 -2.961 1.540 -10.166 1170 H THR 148 H THR 148 -6.556 -0.979 -5.609 1171 HA THR 148 HA THR 148 -8.983 0.541 -6.127 1172 HB THR 148 HB THR 148 -8.458 -1.558 -3.999 1173 HG1 THR 148 1HG THR 148 -8.441 -2.465 -6.060 1174 HG21 THR 148 3HG2 THR 148 -10.988 -0.264 -5.007 1175 HG22 THR 148 1HG2 THR 148 -10.234 0.049 -3.447 1176 HG23 THR 148 2HG2 THR 148 -10.914 -1.546 -3.796 1177 H VAL 149 H VAL 149 -9.009 2.488 -5.194 1178 HA VAL 149 HA VAL 149 -7.258 2.974 -2.914 1179 HB VAL 149 HB VAL 149 -8.417 4.942 -4.911 1180 HG11 VAL 149 1HG1 VAL 149 -8.222 5.940 -2.688 1181 HG12 VAL 149 2HG1 VAL 149 -7.025 6.624 -3.789 1182 HG13 VAL 149 3HG1 VAL 149 -6.539 5.421 -2.592 1183 HG21 VAL 149 3HG2 VAL 149 -6.624 3.577 -5.823 1184 HG22 VAL 149 1HG2 VAL 149 -5.579 4.031 -4.470 1185 HG23 VAL 149 2HG2 VAL 149 -6.123 5.257 -5.622 1186 H TYR 150 H TYR 150 -8.147 3.326 -1.088 1187 HA TYR 150 HA TYR 150 -11.002 3.757 -0.985 1188 HB2 TYR 150 2HB TYR 150 -9.019 2.892 1.114 1189 HB3 TYR 150 1HB TYR 150 -10.663 3.376 1.530 1190 HD1 TYR 150 1HD TYR 150 -8.825 0.975 -0.739 1191 HD2 TYR 150 2HD TYR 150 -12.358 1.792 1.510 1192 HE1 TYR 150 1HE TYR 150 -9.671 -1.259 -1.252 1193 HE2 TYR 150 2HE TYR 150 -13.201 -0.439 0.988 1194 HH TYR 150 HH TYR 150 -11.218 -2.848 -0.409 1195 H THR 151 H THR 151 -11.941 5.478 -0.123 1196 HA THR 151 HA THR 151 -10.287 7.808 -0.453 1197 HB THR 151 HB THR 151 -12.486 8.983 -0.560 1198 HG1 THR 151 1HG THR 151 -13.591 7.327 0.680 1199 HG21 THR 151 3HG2 THR 151 -11.332 8.206 -2.591 1200 HG22 THR 151 1HG2 THR 151 -13.082 8.071 -2.768 1201 HG23 THR 151 2HG2 THR 151 -12.113 6.634 -2.434 1202 H LEU 152 H LEU 152 -9.793 9.209 1.019 1203 HA LEU 152 HA LEU 152 -11.032 9.075 3.661 1204 HB2 LEU 152 2HB LEU 152 -8.231 9.966 2.921 1205 HB3 LEU 152 1HB LEU 152 -8.907 9.963 4.531 1206 HG LEU 152 HG LEU 152 -8.311 7.502 2.878 1207 HD11 LEU 152 1HD1 LEU 152 -6.545 7.104 4.525 1208 HD12 LEU 152 2HD1 LEU 152 -6.913 8.648 5.287 1209 HD13 LEU 152 3HD1 LEU 152 -6.287 8.609 3.639 1210 HD21 LEU 152 3HD2 LEU 152 -9.295 7.773 5.723 1211 HD22 LEU 152 1HD2 LEU 152 -8.795 6.268 4.950 1212 HD23 LEU 152 2HD2 LEU 152 -10.204 7.135 4.349 Start of MODEL 6 1 H GLU 1 H GLU 1 -26.121 -5.742 -5.247 2 HA GLU 1 HA GLU 1 -25.150 -7.563 -3.301 3 HB2 GLU 1 2HB GLU 1 -27.137 -8.915 -4.063 4 HB3 GLU 1 1HB GLU 1 -27.487 -7.325 -3.394 5 HG2 GLU 1 2HG GLU 1 -27.571 -6.491 -5.748 6 HG3 GLU 1 1HG GLU 1 -27.475 -8.171 -6.262 7 H ALA 2 H ALA 2 -23.595 -8.900 -3.649 8 HA ALA 2 HA ALA 2 -22.717 -9.480 -6.304 9 HB1 ALA 2 1HB ALA 2 -20.854 -10.605 -5.246 10 HB2 ALA 2 2HB ALA 2 -21.641 -10.473 -3.673 11 HB3 ALA 2 3HB ALA 2 -21.113 -9.019 -4.519 12 H SER 3 H SER 3 -24.231 -10.698 -7.233 13 HA SER 3 HA SER 3 -24.625 -13.397 -6.155 14 HB2 SER 3 2HB SER 3 -26.149 -11.932 -8.335 15 HB3 SER 3 1HB SER 3 -26.563 -13.509 -7.659 16 HG SER 3 HG SER 3 -26.243 -11.668 -5.715 17 H SER 4 H SER 4 -23.415 -11.475 -8.791 18 HA SER 4 HA SER 4 -21.570 -13.389 -9.628 19 HB2 SER 4 2HB SER 4 -22.467 -13.595 -11.999 20 HB3 SER 4 1HB SER 4 -23.392 -14.481 -10.783 21 HG SER 4 HG SER 4 -24.018 -11.985 -11.992 22 H LEU 5 H LEU 5 -20.008 -11.835 -9.565 23 HA LEU 5 HA LEU 5 -20.598 -9.195 -10.500 24 HB2 LEU 5 2HB LEU 5 -18.029 -10.326 -9.434 25 HB3 LEU 5 1HB LEU 5 -18.267 -8.650 -9.874 26 HG LEU 5 HG LEU 5 -19.670 -10.123 -7.645 27 HD11 LEU 5 1HD1 LEU 5 -17.587 -7.949 -7.618 28 HD12 LEU 5 2HD1 LEU 5 -17.342 -9.637 -7.171 29 HD13 LEU 5 3HD1 LEU 5 -18.405 -8.613 -6.205 30 HD21 LEU 5 3HD2 LEU 5 -19.884 -7.230 -8.510 31 HD22 LEU 5 1HD2 LEU 5 -20.586 -7.916 -7.050 32 HD23 LEU 5 2HD2 LEU 5 -21.159 -8.446 -8.629 33 H ASN 6 H ASN 6 -20.967 -9.332 -12.623 34 HA ASN 6 HA ASN 6 -18.686 -10.036 -14.313 35 HB2 ASN 6 2HB ASN 6 -20.216 -9.916 -16.214 36 HB3 ASN 6 1HB ASN 6 -20.890 -10.966 -14.982 37 HD21 ASN 6 1HD2 ASN 6 -22.136 -9.517 -17.171 38 HD22 ASN 6 2HD2 ASN 6 -23.384 -8.554 -16.488 39 H GLU 7 H GLU 7 -20.353 -7.488 -12.903 40 HA GLU 7 HA GLU 7 -19.848 -5.373 -14.681 41 HB2 GLU 7 2HB GLU 7 -21.528 -5.315 -12.895 42 HB3 GLU 7 1HB GLU 7 -20.253 -5.386 -11.692 43 HG2 GLU 7 2HG GLU 7 -19.432 -3.214 -12.478 44 HG3 GLU 7 1HG GLU 7 -20.755 -3.155 -13.639 45 H ASP 8 H ASP 8 -18.000 -4.480 -15.127 46 HA ASP 8 HA ASP 8 -15.582 -5.187 -13.808 47 HB2 ASP 8 2HB ASP 8 -16.108 -3.049 -15.887 48 HB3 ASP 8 1HB ASP 8 -14.510 -3.525 -15.329 49 HA PRO 9 HA PRO 9 -15.279 -2.032 -10.698 50 HB2 PRO 9 2HB PRO 9 -12.485 -1.608 -11.611 51 HB3 PRO 9 1HB PRO 9 -13.087 -2.036 -10.006 52 HG2 PRO 9 2HG PRO 9 -11.870 -3.849 -11.505 53 HG3 PRO 9 1HG PRO 9 -13.292 -4.275 -10.529 54 HD2 PRO 9 2HD PRO 9 -13.095 -3.767 -13.469 55 HD3 PRO 9 1HD PRO 9 -14.005 -5.010 -12.588 56 H GLU 10 H GLU 10 -15.031 0.228 -10.477 57 HA GLU 10 HA GLU 10 -15.506 1.610 -12.935 58 HB2 GLU 10 2HB GLU 10 -17.089 1.998 -11.121 59 HB3 GLU 10 1HB GLU 10 -15.793 2.510 -10.058 60 HG2 GLU 10 2HG GLU 10 -15.435 4.491 -11.381 61 HG3 GLU 10 1HG GLU 10 -16.612 3.947 -12.574 62 H GLY 11 H GLY 11 -13.529 1.274 -13.566 63 HA2 GLY 11 2HA GLY 11 -11.869 3.213 -14.158 64 HA3 GLY 11 1HA GLY 11 -11.359 2.949 -12.488 65 H SER 12 H SER 12 -10.171 2.363 -15.400 66 HA SER 12 HA SER 12 -9.792 -0.419 -15.279 67 HB2 SER 12 2HB SER 12 -8.564 1.767 -16.938 68 HB3 SER 12 1HB SER 12 -8.450 0.034 -17.224 69 HG SER 12 HG SER 12 -10.995 0.899 -16.860 70 H ARG 13 H ARG 13 -8.244 2.399 -14.063 71 HA ARG 13 HA ARG 13 -5.965 0.772 -13.212 72 HB2 ARG 13 2HB ARG 13 -6.090 3.747 -13.717 73 HB3 ARG 13 1HB ARG 13 -4.759 2.964 -12.873 74 HG2 ARG 13 2HG ARG 13 -5.639 2.275 -15.653 75 HG3 ARG 13 1HG ARG 13 -4.329 3.396 -15.269 76 HD2 ARG 13 2HD ARG 13 -3.053 1.725 -14.260 77 HD3 ARG 13 1HD ARG 13 -4.330 0.534 -14.236 78 HE ARG 13 HE ARG 13 -3.663 1.495 -16.854 79 HH11 ARG 13 1HH1 ARG 13 -2.735 -0.926 -14.387 80 HH12 ARG 13 2HH1 ARG 13 -1.960 -1.909 -15.556 81 HH21 ARG 13 1HH2 ARG 13 -2.629 0.066 -18.360 82 HH22 ARG 13 2HH2 ARG 13 -1.918 -1.372 -17.816 83 H ILE 14 H ILE 14 -7.453 3.776 -12.059 84 HA ILE 14 HA ILE 14 -7.344 2.572 -9.407 85 HB ILE 14 HB ILE 14 -7.557 5.462 -10.204 86 HG12 ILE 14 2HG1 ILE 14 -5.232 3.914 -9.028 87 HG13 ILE 14 1HG1 ILE 14 -5.341 4.521 -10.675 88 HG21 ILE 14 1HG2 ILE 14 -8.689 5.089 -8.079 89 HG22 ILE 14 2HG2 ILE 14 -7.165 5.936 -7.774 90 HG23 ILE 14 3HG2 ILE 14 -7.289 4.214 -7.470 91 HD11 ILE 14 3HD1 ILE 14 -5.200 6.205 -8.173 92 HD12 ILE 14 1HD1 ILE 14 -5.304 6.812 -9.821 93 HD13 ILE 14 2HD1 ILE 14 -3.886 5.913 -9.306 94 H THR 15 H THR 15 -9.072 1.961 -8.622 95 HA THR 15 HA THR 15 -11.714 3.000 -9.449 96 HB THR 15 HB THR 15 -11.008 0.389 -8.063 97 HG1 THR 15 1HG THR 15 -10.942 1.121 -10.654 98 HG21 THR 15 3HG2 THR 15 -13.278 1.179 -7.545 99 HG22 THR 15 1HG2 THR 15 -13.325 -0.258 -8.564 100 HG23 THR 15 2HG2 THR 15 -13.621 1.333 -9.268 101 H TYR 16 H TYR 16 -12.912 4.038 -7.845 102 HA TYR 16 HA TYR 16 -11.657 4.151 -5.212 103 HB2 TYR 16 2HB TYR 16 -13.730 5.969 -6.452 104 HB3 TYR 16 1HB TYR 16 -13.021 6.165 -4.853 105 HD1 TYR 16 2HD TYR 16 -10.599 6.705 -4.647 106 HD2 TYR 16 1HD TYR 16 -12.597 6.706 -8.401 107 HE1 TYR 16 2HE TYR 16 -8.769 8.017 -5.615 108 HE2 TYR 16 1HE TYR 16 -10.766 8.016 -9.381 109 HH TYR 16 HH TYR 16 -8.992 9.503 -8.674 110 H VAL 17 H VAL 17 -12.476 3.036 -3.660 111 HA VAL 17 HA VAL 17 -15.301 2.241 -3.773 112 HB VAL 17 HB VAL 17 -12.992 0.772 -2.495 113 HG11 VAL 17 1HG1 VAL 17 -14.605 -1.044 -2.090 114 HG12 VAL 17 2HG1 VAL 17 -15.888 -0.014 -2.727 115 HG13 VAL 17 3HG1 VAL 17 -15.053 0.437 -1.242 116 HG21 VAL 17 3HG2 VAL 17 -13.387 -0.954 -4.211 117 HG22 VAL 17 1HG2 VAL 17 -12.922 0.594 -4.919 118 HG23 VAL 17 2HG2 VAL 17 -14.609 0.084 -4.948 119 H LYS 18 H LYS 18 -16.442 2.994 -2.235 120 HA LYS 18 HA LYS 18 -15.170 4.366 -0.019 121 HB2 LYS 18 2HB LYS 18 -17.520 5.247 0.392 122 HB3 LYS 18 1HB LYS 18 -16.744 5.753 -1.102 123 HG2 LYS 18 2HG LYS 18 -18.033 4.010 -2.304 124 HG3 LYS 18 1HG LYS 18 -18.855 3.619 -0.792 125 HD2 LYS 18 2HD LYS 18 -19.752 5.872 -0.677 126 HD3 LYS 18 1HD LYS 18 -18.869 6.319 -2.138 127 HE2 LYS 18 2HE LYS 18 -20.143 4.686 -3.421 128 HE3 LYS 18 1HE LYS 18 -21.008 4.191 -1.967 129 HZ1 LYS 18 3HZ LYS 18 -21.907 6.441 -1.819 130 HZ2 LYS 18 1HZ LYS 18 -22.326 5.719 -3.269 131 HZ3 LYS 18 2HZ LYS 18 -21.115 6.876 -3.242 132 H GLY 19 H GLY 19 -14.817 3.357 1.796 133 HA2 GLY 19 2HA GLY 19 -16.722 1.999 3.284 134 HA3 GLY 19 1HA GLY 19 -15.830 0.794 2.361 135 H ASP 20 H ASP 20 -13.854 0.155 3.072 136 HA ASP 20 HA ASP 20 -12.378 1.775 5.011 137 HB2 ASP 20 2HB ASP 20 -13.900 0.321 6.368 138 HB3 ASP 20 1HB ASP 20 -13.191 -1.077 5.587 139 H LEU 21 H LEU 21 -10.152 1.257 5.026 140 HA LEU 21 HA LEU 21 -9.268 -0.058 2.617 141 HB2 LEU 21 2HB LEU 21 -8.177 1.949 3.580 142 HB3 LEU 21 1HB LEU 21 -7.542 0.908 4.848 143 HG LEU 21 HG LEU 21 -6.506 -0.512 3.101 144 HD11 LEU 21 1HD1 LEU 21 -7.332 1.719 1.263 145 HD12 LEU 21 2HD1 LEU 21 -7.879 0.041 1.208 146 HD13 LEU 21 3HD1 LEU 21 -6.199 0.429 0.866 147 HD21 LEU 21 3HD2 LEU 21 -4.708 1.016 2.595 148 HD22 LEU 21 1HD2 LEU 21 -5.264 1.088 4.278 149 HD23 LEU 21 2HD2 LEU 21 -5.772 2.343 3.129 150 H PHE 22 H PHE 22 -9.416 -0.967 6.043 151 HA PHE 22 HA PHE 22 -7.793 -3.263 5.475 152 HB2 PHE 22 2HB PHE 22 -9.093 -2.323 8.028 153 HB3 PHE 22 1HB PHE 22 -8.367 -3.919 7.897 154 HD1 PHE 22 1HD PHE 22 -5.923 -3.931 6.947 155 HD2 PHE 22 2HD PHE 22 -7.736 -0.544 8.823 156 HE1 PHE 22 1HE PHE 22 -3.702 -3.003 7.449 157 HE2 PHE 22 2HE PHE 22 -5.527 0.358 9.304 158 HZ PHE 22 HZ PHE 22 -3.509 -0.857 8.628 159 H ALA 23 H ALA 23 -10.879 -2.522 4.868 160 HA ALA 23 HA ALA 23 -11.935 -5.198 5.211 161 HB1 ALA 23 1HB ALA 23 -13.418 -3.272 5.471 162 HB2 ALA 23 2HB ALA 23 -13.937 -4.272 4.114 163 HB3 ALA 23 3HB ALA 23 -13.065 -2.763 3.821 164 H CYS 24 H CYS 24 -9.598 -4.229 3.387 165 HA CYS 24 HA CYS 24 -10.266 -4.788 0.721 166 HB2 CYS 24 2HB CYS 24 -7.810 -4.952 0.446 167 HB3 CYS 24 1HB CYS 24 -8.300 -3.513 1.339 168 HG CYS 24 HG CYS 24 -7.686 -6.196 3.120 169 HA PRO 25 HA PRO 25 -10.447 -9.298 1.090 170 HB2 PRO 25 2HB PRO 25 -10.180 -9.179 -1.852 171 HB3 PRO 25 1HB PRO 25 -11.456 -9.909 -0.873 172 HG2 PRO 25 2HG PRO 25 -11.897 -7.656 -2.225 173 HG3 PRO 25 1HG PRO 25 -12.582 -7.903 -0.608 174 HD2 PRO 25 2HD PRO 25 -10.172 -6.315 -1.410 175 HD3 PRO 25 1HD PRO 25 -11.485 -5.908 -0.276 176 H LYS 26 H LYS 26 -9.153 -11.111 0.275 177 HA LYS 26 HA LYS 26 -6.395 -10.635 0.611 178 HB2 LYS 26 2HB LYS 26 -6.095 -13.075 0.117 179 HB3 LYS 26 1HB LYS 26 -7.199 -12.703 1.425 180 HG2 LYS 26 2HG LYS 26 -8.121 -14.518 0.165 181 HG3 LYS 26 1HG LYS 26 -9.101 -13.096 -0.162 182 HD2 LYS 26 2HD LYS 26 -8.783 -14.250 -2.240 183 HD3 LYS 26 1HD LYS 26 -7.780 -12.795 -2.253 184 HE2 LYS 26 2HE LYS 26 -6.533 -14.660 -3.184 185 HE3 LYS 26 1HE LYS 26 -5.809 -14.155 -1.662 186 HZ1 LYS 26 3HZ LYS 26 -5.938 -16.548 -1.828 187 HZ2 LYS 26 1HZ LYS 26 -7.598 -16.498 -2.060 188 HZ3 LYS 26 2HZ LYS 26 -6.947 -16.035 -0.576 189 H THR 27 H THR 27 -8.193 -10.339 -2.205 190 HA THR 27 HA THR 27 -6.188 -11.225 -4.029 191 HB THR 27 HB THR 27 -7.840 -10.017 -5.599 192 HG1 THR 27 1HG THR 27 -9.330 -9.003 -4.549 193 HG21 THR 27 3HG2 THR 27 -9.335 -11.968 -5.564 194 HG22 THR 27 1HG2 THR 27 -8.743 -12.413 -3.972 195 HG23 THR 27 2HG2 THR 27 -7.663 -12.491 -5.368 196 H ASP 28 H ASP 28 -6.837 -8.245 -2.366 197 HA ASP 28 HA ASP 28 -4.911 -6.917 -4.092 198 HB2 ASP 28 2HB ASP 28 -6.090 -4.741 -3.453 199 HB3 ASP 28 1HB ASP 28 -6.909 -5.744 -4.634 200 H SER 29 H SER 29 -3.194 -6.036 -3.209 201 HA SER 29 HA SER 29 -2.868 -6.436 -0.332 202 HB2 SER 29 2HB SER 29 -0.863 -5.663 -2.469 203 HB3 SER 29 1HB SER 29 -0.482 -6.035 -0.788 204 HG SER 29 HG SER 29 -2.003 -7.932 -2.043 205 H LEU 30 H LEU 30 -1.258 -4.533 0.644 206 HA LEU 30 HA LEU 30 -2.770 -2.064 0.095 207 HB2 LEU 30 2HB LEU 30 -1.870 -3.151 2.747 208 HB3 LEU 30 1HB LEU 30 -2.391 -1.503 2.517 209 HG LEU 30 HG LEU 30 -4.078 -3.989 2.214 210 HD11 LEU 30 1HD1 LEU 30 -5.298 -3.014 4.121 211 HD12 LEU 30 2HD1 LEU 30 -4.115 -1.712 4.208 212 HD13 LEU 30 3HD1 LEU 30 -3.619 -3.372 4.526 213 HD21 LEU 30 3HD2 LEU 30 -4.784 -1.085 1.816 214 HD22 LEU 30 1HD2 LEU 30 -5.934 -2.422 1.854 215 HD23 LEU 30 2HD2 LEU 30 -4.743 -2.334 0.566 216 H ALA 31 H ALA 31 -1.734 -0.219 0.093 217 HA ALA 31 HA ALA 31 1.132 -0.219 0.627 218 HB1 ALA 31 1HB ALA 31 -0.182 0.873 -1.847 219 HB2 ALA 31 2HB ALA 31 0.802 -0.587 -1.763 220 HB3 ALA 31 3HB ALA 31 1.536 0.985 -1.445 221 H HIS 32 H HIS 32 1.920 1.733 1.374 222 HA HIS 32 HA HIS 32 0.319 4.109 1.301 223 HB2 HIS 32 2HB HIS 32 -0.317 2.662 3.373 224 HB3 HIS 32 1HB HIS 32 1.268 3.135 3.982 225 HD1 HIS 32 1HD HIS 32 1.542 5.630 4.793 226 HD2 HIS 32 2HD HIS 32 -2.066 4.599 3.059 227 HE1 HIS 32 1HE HIS 32 0.062 7.581 5.259 228 HE2 HIS 32 2HE HIS 32 -2.100 7.065 4.100 229 H CYS 33 H CYS 33 1.723 5.940 2.189 230 HA CYS 33 HA CYS 33 4.517 5.323 1.741 231 HB2 CYS 33 2HB CYS 33 4.656 7.836 1.574 232 HB3 CYS 33 1HB CYS 33 3.673 7.055 0.340 233 HG CYS 33 HG CYS 33 2.794 9.291 2.651 234 H ILE 34 H ILE 34 6.105 5.844 3.223 235 HA ILE 34 HA ILE 34 5.381 7.019 5.759 236 HB ILE 34 HB ILE 34 6.548 5.299 7.105 237 HG12 ILE 34 2HG1 ILE 34 6.812 3.682 4.575 238 HG13 ILE 34 1HG1 ILE 34 8.098 4.635 5.307 239 HG21 ILE 34 1HG2 ILE 34 4.179 5.022 6.843 240 HG22 ILE 34 2HG2 ILE 34 5.017 3.490 7.025 241 HG23 ILE 34 3HG2 ILE 34 4.445 3.998 5.428 242 HD11 ILE 34 3HD1 ILE 34 6.676 2.387 6.713 243 HD12 ILE 34 1HD1 ILE 34 8.052 3.311 7.300 244 HD13 ILE 34 2HD1 ILE 34 8.253 2.250 5.906 245 H SER 35 H SER 35 7.566 7.294 7.022 246 HA SER 35 HA SER 35 9.314 8.495 5.062 247 HB2 SER 35 2HB SER 35 10.269 9.672 7.025 248 HB3 SER 35 1HB SER 35 8.547 9.961 6.782 249 HG SER 35 HG SER 35 8.075 8.745 8.524 250 H GLU 36 H GLU 36 11.600 8.395 5.295 251 HA GLU 36 HA GLU 36 12.708 5.850 5.357 252 HB2 GLU 36 2HB GLU 36 13.440 7.841 4.027 253 HB3 GLU 36 1HB GLU 36 13.935 8.601 5.524 254 HG2 GLU 36 2HG GLU 36 15.171 6.107 4.429 255 HG3 GLU 36 1HG GLU 36 15.664 7.739 3.990 256 H ASP 37 H ASP 37 12.338 8.282 7.811 257 HA ASP 37 HA ASP 37 14.104 6.912 9.709 258 HB2 ASP 37 2HB ASP 37 14.086 9.426 9.434 259 HB3 ASP 37 1HB ASP 37 12.446 9.438 10.049 260 H CYS 38 H CYS 38 11.309 6.047 8.634 261 HA CYS 38 HA CYS 38 9.470 4.973 9.219 262 HB2 CYS 38 2HB CYS 38 9.509 3.424 11.138 263 HB3 CYS 38 1HB CYS 38 10.967 3.296 10.195 264 HG CYS 38 HG CYS 38 11.822 5.383 12.353 265 H ARG 39 H ARG 39 9.794 7.734 10.193 266 HA ARG 39 HA ARG 39 8.368 7.993 12.600 267 HB2 ARG 39 2HB ARG 39 8.761 9.970 10.374 268 HB3 ARG 39 1HB ARG 39 8.067 10.354 11.945 269 HG2 ARG 39 2HG ARG 39 10.115 9.615 13.016 270 HG3 ARG 39 1HG ARG 39 10.829 9.302 11.435 271 HD2 ARG 39 2HD ARG 39 10.502 11.656 10.874 272 HD3 ARG 39 1HD ARG 39 9.843 11.896 12.506 273 HE ARG 39 HE ARG 39 12.390 10.661 12.558 274 HH11 ARG 39 1HH1 ARG 39 10.872 13.846 12.265 275 HH12 ARG 39 2HH1 ARG 39 12.217 14.707 12.848 276 HH21 ARG 39 1HH2 ARG 39 14.229 11.831 13.375 277 HH22 ARG 39 2HH2 ARG 39 14.200 13.524 13.505 278 H MET 40 H MET 40 6.370 7.851 13.005 279 HA MET 40 HA MET 40 4.296 8.428 11.187 280 HB2 MET 40 2HB MET 40 3.250 6.175 11.251 281 HB3 MET 40 1HB MET 40 4.768 6.174 10.366 282 HG2 MET 40 2HG MET 40 5.883 5.265 12.352 283 HG3 MET 40 1HG MET 40 4.333 5.205 13.185 284 HE1 MET 40 3HE MET 40 5.420 4.278 9.471 285 HE2 MET 40 1HE MET 40 5.558 2.523 9.617 286 HE3 MET 40 2HE MET 40 6.670 3.554 10.498 287 H GLY 41 H GLY 41 3.487 9.784 12.634 288 HA2 GLY 41 2HA GLY 41 3.147 8.847 15.392 289 HA3 GLY 41 1HA GLY 41 3.047 10.521 14.856 290 H ALA 42 H ALA 42 1.411 9.475 12.532 291 HA ALA 42 HA ALA 42 -1.060 8.760 13.834 292 HB1 ALA 42 1HB ALA 42 -0.772 11.323 12.259 293 HB2 ALA 42 2HB ALA 42 -1.011 11.204 14.002 294 HB3 ALA 42 3HB ALA 42 -2.274 10.653 12.902 295 H GLY 43 H GLY 43 -2.766 8.524 12.127 296 HA2 GLY 43 2HA GLY 43 -3.373 8.204 9.863 297 HA3 GLY 43 1HA GLY 43 -1.675 8.070 9.458 298 H ILE 44 H ILE 44 -2.943 6.302 8.296 299 HA ILE 44 HA ILE 44 -3.593 3.961 9.764 300 HB ILE 44 HB ILE 44 -4.644 4.542 7.598 301 HG12 ILE 44 2HG1 ILE 44 -3.224 1.876 7.265 302 HG13 ILE 44 1HG1 ILE 44 -4.551 2.099 8.407 303 HG21 ILE 44 1HG2 ILE 44 -1.975 3.833 6.422 304 HG22 ILE 44 2HG2 ILE 44 -2.703 5.433 6.446 305 HG23 ILE 44 3HG2 ILE 44 -3.442 4.145 5.503 306 HD11 ILE 44 3HD1 ILE 44 -5.253 1.149 6.349 307 HD12 ILE 44 1HD1 ILE 44 -4.568 2.530 5.471 308 HD13 ILE 44 2HD1 ILE 44 -5.929 2.775 6.569 309 H ALA 45 H ALA 45 -0.637 5.299 8.822 310 HA ALA 45 HA ALA 45 0.886 2.926 8.426 311 HB1 ALA 45 1HB ALA 45 1.750 5.166 7.819 312 HB2 ALA 45 2HB ALA 45 2.855 4.280 8.854 313 HB3 ALA 45 3HB ALA 45 1.852 5.567 9.538 314 H VAL 46 H VAL 46 -0.150 4.696 11.248 315 HA VAL 46 HA VAL 46 1.352 3.220 13.134 316 HB VAL 46 HB VAL 46 -1.311 4.638 13.530 317 HG11 VAL 46 1HG1 VAL 46 0.773 3.818 15.551 318 HG12 VAL 46 2HG1 VAL 46 -0.818 3.089 15.345 319 HG13 VAL 46 3HG1 VAL 46 -0.678 4.760 15.895 320 HG21 VAL 46 3HG2 VAL 46 0.037 6.524 14.355 321 HG22 VAL 46 1HG2 VAL 46 0.340 6.169 12.658 322 HG23 VAL 46 2HG2 VAL 46 1.504 5.668 13.880 323 H LEU 47 H LEU 47 -1.819 2.870 11.689 324 HA LEU 47 HA LEU 47 -2.678 0.591 13.102 325 HB2 LEU 47 2HB LEU 47 -3.379 1.546 10.323 326 HB3 LEU 47 1HB LEU 47 -4.189 0.219 11.134 327 HG LEU 47 HG LEU 47 -4.170 3.074 12.152 328 HD11 LEU 47 1HD1 LEU 47 -5.428 2.877 10.035 329 HD12 LEU 47 2HD1 LEU 47 -6.486 3.154 11.414 330 HD13 LEU 47 3HD1 LEU 47 -6.356 1.543 10.736 331 HD21 LEU 47 3HD2 LEU 47 -5.756 0.655 12.933 332 HD22 LEU 47 1HD2 LEU 47 -5.959 2.269 13.605 333 HD23 LEU 47 2HD2 LEU 47 -4.459 1.376 13.897 334 H PHE 48 H PHE 48 -0.766 0.954 10.128 335 HA PHE 48 HA PHE 48 -0.609 -1.803 9.603 336 HB2 PHE 48 2HB PHE 48 1.151 0.480 8.732 337 HB3 PHE 48 1HB PHE 48 1.495 -1.181 8.288 338 HD1 PHE 48 1HD PHE 48 -0.571 -2.433 7.221 339 HD2 PHE 48 2HD PHE 48 -0.044 1.778 7.239 340 HE1 PHE 48 1HE PHE 48 -2.025 -2.241 5.256 341 HE2 PHE 48 2HE PHE 48 -1.503 1.979 5.283 342 HZ PHE 48 HZ PHE 48 -2.495 -0.026 4.285 343 H LYS 49 H LYS 49 1.544 0.345 11.449 344 HA LYS 49 HA LYS 49 3.415 -1.727 11.842 345 HB2 LYS 49 2HB LYS 49 4.611 -0.322 13.368 346 HB3 LYS 49 1HB LYS 49 4.038 0.682 12.036 347 HG2 LYS 49 2HG LYS 49 3.890 1.979 13.977 348 HG3 LYS 49 1HG LYS 49 2.243 1.421 13.695 349 HD2 LYS 49 2HD LYS 49 2.404 -0.220 15.392 350 HD3 LYS 49 1HD LYS 49 4.147 -0.020 15.524 351 HE2 LYS 49 2HE LYS 49 2.137 2.107 16.156 352 HE3 LYS 49 1HE LYS 49 2.832 1.025 17.371 353 HZ1 LYS 49 3HZ LYS 49 3.999 3.168 17.276 354 HZ2 LYS 49 1HZ LYS 49 4.364 2.931 15.662 355 HZ3 LYS 49 2HZ LYS 49 5.040 1.929 16.818 356 H LYS 50 H LYS 50 0.624 -0.825 13.600 357 HA LYS 50 HA LYS 50 1.161 -2.440 15.861 358 HB2 LYS 50 2HB LYS 50 -1.418 -1.455 14.786 359 HB3 LYS 50 1HB LYS 50 -1.230 -2.282 16.331 360 HG2 LYS 50 2HG LYS 50 0.422 -0.485 16.952 361 HG3 LYS 50 1HG LYS 50 -0.120 0.379 15.511 362 HD2 LYS 50 2HD LYS 50 -1.785 -0.579 17.751 363 HD3 LYS 50 1HD LYS 50 -1.294 1.109 17.505 364 HE2 LYS 50 2HE LYS 50 -2.531 1.130 15.377 365 HE3 LYS 50 1HE LYS 50 -2.967 -0.557 15.637 366 HZ1 LYS 50 3HZ LYS 50 -3.812 1.690 17.407 367 HZ2 LYS 50 1HZ LYS 50 -4.209 0.062 17.580 368 HZ3 LYS 50 2HZ LYS 50 -4.810 0.920 16.276 369 H LYS 51 H LYS 51 -0.545 -3.057 12.810 370 HA LYS 51 HA LYS 51 -1.444 -5.591 13.719 371 HB2 LYS 51 2HB LYS 51 -1.551 -4.322 11.017 372 HB3 LYS 51 1HB LYS 51 -2.294 -5.859 11.442 373 HG2 LYS 51 2HG LYS 51 -3.597 -4.698 13.179 374 HG3 LYS 51 1HG LYS 51 -2.917 -3.173 12.618 375 HD2 LYS 51 2HD LYS 51 -3.807 -3.608 10.421 376 HD3 LYS 51 1HD LYS 51 -4.559 -5.092 11.006 377 HE2 LYS 51 2HE LYS 51 -5.169 -2.286 11.977 378 HE3 LYS 51 1HE LYS 51 -6.212 -3.284 10.968 379 HZ1 LYS 51 3HZ LYS 51 -6.352 -4.882 12.826 380 HZ2 LYS 51 1HZ LYS 51 -6.931 -3.359 13.267 381 HZ3 LYS 51 2HZ LYS 51 -5.405 -3.876 13.768 382 H PHE 52 H PHE 52 1.182 -4.450 11.677 383 HA PHE 52 HA PHE 52 1.818 -7.245 11.153 384 HB2 PHE 52 2HB PHE 52 2.756 -4.761 9.718 385 HB3 PHE 52 1HB PHE 52 3.245 -6.409 9.304 386 HD1 PHE 52 2HD PHE 52 1.638 -7.990 8.390 387 HD2 PHE 52 1HD PHE 52 0.539 -3.962 9.181 388 HE1 PHE 52 2HE PHE 52 -0.398 -8.287 7.042 389 HE2 PHE 52 1HE PHE 52 -1.506 -4.253 7.837 390 HZ PHE 52 HZ PHE 52 -1.976 -6.415 6.767 391 H GLY 53 H GLY 53 3.041 -4.503 12.876 392 HA2 GLY 53 2HA GLY 53 4.605 -4.420 14.528 393 HA3 GLY 53 1HA GLY 53 4.767 -6.153 14.396 394 H GLY 54 H GLY 54 5.610 -5.803 11.526 395 HA2 GLY 54 2HA GLY 54 8.410 -5.813 12.088 396 HA3 GLY 54 1HA GLY 54 7.661 -6.095 10.534 397 H VAL 55 H VAL 55 8.003 -3.355 12.760 398 HA VAL 55 HA VAL 55 8.377 -1.473 10.643 399 HB VAL 55 HB VAL 55 9.194 -1.168 13.550 400 HG11 VAL 55 1HG1 VAL 55 8.907 1.225 13.160 401 HG12 VAL 55 2HG1 VAL 55 8.512 0.902 11.472 402 HG13 VAL 55 3HG1 VAL 55 10.126 0.526 12.087 403 HG21 VAL 55 3HG2 VAL 55 7.006 -0.123 13.922 404 HG22 VAL 55 1HG2 VAL 55 6.844 -1.808 13.424 405 HG23 VAL 55 2HG2 VAL 55 6.554 -0.509 12.264 406 H GLN 56 H GLN 56 10.464 -3.361 12.762 407 HA GLN 56 HA GLN 56 12.984 -2.341 11.936 408 HB2 GLN 56 2HB GLN 56 12.126 -5.006 13.062 409 HB3 GLN 56 1HB GLN 56 13.781 -4.518 12.811 410 HG2 GLN 56 2HG GLN 56 13.134 -4.381 15.160 411 HG3 GLN 56 1HG GLN 56 13.550 -2.800 14.528 412 HE21 GLN 56 1HE2 GLN 56 11.955 -1.221 14.434 413 HE22 GLN 56 2HE2 GLN 56 10.423 -1.401 15.187 414 H GLU 57 H GLU 57 10.891 -4.885 10.813 415 HA GLU 57 HA GLU 57 12.669 -6.022 8.958 416 HB2 GLU 57 2HB GLU 57 9.650 -5.889 8.770 417 HB3 GLU 57 1HB GLU 57 10.687 -7.010 7.897 418 HG2 GLU 57 2HG GLU 57 11.379 -7.985 10.059 419 HG3 GLU 57 1HG GLU 57 10.262 -6.897 10.875 420 H LEU 58 H LEU 58 10.672 -3.204 8.852 421 HA LEU 58 HA LEU 58 10.843 -2.699 6.049 422 HB2 LEU 58 2HB LEU 58 10.365 -0.802 8.333 423 HB3 LEU 58 1HB LEU 58 10.100 -0.448 6.640 424 HG LEU 58 HG LEU 58 8.605 -2.471 8.280 425 HD11 LEU 58 1HD1 LEU 58 8.052 -0.176 8.865 426 HD12 LEU 58 2HD1 LEU 58 6.722 -0.950 8.004 427 HD13 LEU 58 3HD1 LEU 58 7.764 0.196 7.166 428 HD21 LEU 58 3HD2 LEU 58 8.323 -1.611 5.420 429 HD22 LEU 58 1HD2 LEU 58 7.167 -2.609 6.295 430 HD23 LEU 58 2HD2 LEU 58 8.799 -3.210 5.988 431 H LEU 59 H LEU 59 12.468 -1.388 8.894 432 HA LEU 59 HA LEU 59 14.101 0.297 7.368 433 HB2 LEU 59 2HB LEU 59 14.454 -0.592 10.211 434 HB3 LEU 59 1HB LEU 59 15.386 0.675 9.437 435 HG LEU 59 HG LEU 59 12.452 0.692 10.103 436 HD11 LEU 59 1HD1 LEU 59 13.903 1.153 11.954 437 HD12 LEU 59 2HD1 LEU 59 13.054 2.627 11.456 438 HD13 LEU 59 3HD1 LEU 59 14.743 2.400 11.025 439 HD21 LEU 59 3HD2 LEU 59 14.052 2.633 8.455 440 HD22 LEU 59 1HD2 LEU 59 12.486 3.039 9.133 441 HD23 LEU 59 2HD2 LEU 59 12.644 1.737 7.949 442 H ASN 60 H ASN 60 14.643 -2.876 8.757 443 HA ASN 60 HA ASN 60 17.371 -3.038 8.092 444 HB2 ASN 60 2HB ASN 60 15.355 -5.235 8.553 445 HB3 ASN 60 1HB ASN 60 17.078 -5.527 8.327 446 HD21 ASN 60 1HD2 ASN 60 15.318 -5.965 10.640 447 HD22 ASN 60 2HD2 ASN 60 16.054 -5.109 11.952 448 H GLN 61 H GLN 61 14.586 -3.442 6.075 449 HA GLN 61 HA GLN 61 16.022 -4.760 3.961 450 HB2 GLN 61 2HB GLN 61 13.295 -3.476 4.020 451 HB3 GLN 61 1HB GLN 61 13.990 -4.135 2.549 452 HG2 GLN 61 2HG GLN 61 14.114 -6.337 3.571 453 HG3 GLN 61 1HG GLN 61 13.470 -5.681 5.078 454 HE21 GLN 61 1HE2 GLN 61 11.340 -5.163 5.192 455 HE22 GLN 61 2HE2 GLN 61 10.156 -5.694 4.034 456 H GLN 62 H GLN 62 16.073 -1.691 5.107 457 HA GLN 62 HA GLN 62 17.101 0.058 4.599 458 HB2 GLN 62 2HB GLN 62 18.079 -1.315 2.116 459 HB3 GLN 62 1HB GLN 62 18.559 0.290 2.690 460 HG2 GLN 62 2HG GLN 62 19.382 -0.586 4.718 461 HG3 GLN 62 1HG GLN 62 18.822 -2.202 4.317 462 HE21 GLN 62 1HE2 GLN 62 21.498 -1.278 4.952 463 HE22 GLN 62 2HE2 GLN 62 22.501 -1.716 3.616 464 H LYS 63 H LYS 63 15.284 0.967 4.741 465 HA LYS 63 HA LYS 63 13.572 1.823 2.878 466 HB2 LYS 63 2HB LYS 63 13.015 3.596 4.463 467 HB3 LYS 63 1HB LYS 63 13.220 2.053 5.269 468 HG2 LYS 63 2HG LYS 63 15.279 4.245 5.174 469 HG3 LYS 63 1HG LYS 63 14.180 3.974 6.529 470 HD2 LYS 63 2HD LYS 63 15.187 1.697 6.725 471 HD3 LYS 63 1HD LYS 63 16.270 2.130 5.447 472 HE2 LYS 63 2HE LYS 63 17.346 2.418 7.703 473 HE3 LYS 63 1HE LYS 63 17.364 3.849 6.682 474 HZ1 LYS 63 3HZ LYS 63 15.461 3.376 8.935 475 HZ2 LYS 63 1HZ LYS 63 15.535 4.740 7.915 476 HZ3 LYS 63 2HZ LYS 63 16.813 4.391 8.918 477 H LYS 64 H LYS 64 13.923 3.204 1.148 478 HA LYS 64 HA LYS 64 15.850 5.391 1.461 479 HB2 LYS 64 2HB LYS 64 15.551 3.704 -1.022 480 HB3 LYS 64 1HB LYS 64 16.535 5.139 -0.839 481 HG2 LYS 64 2HG LYS 64 16.902 2.630 0.709 482 HG3 LYS 64 1HG LYS 64 17.767 3.048 -0.793 483 HD2 LYS 64 2HD LYS 64 18.729 4.992 0.330 484 HD3 LYS 64 1HD LYS 64 17.838 4.591 1.803 485 HE2 LYS 64 2HE LYS 64 20.170 3.860 1.940 486 HE3 LYS 64 1HE LYS 64 19.059 2.494 1.986 487 HZ1 LYS 64 3HZ LYS 64 20.573 3.391 -0.415 488 HZ2 LYS 64 1HZ LYS 64 19.544 2.067 -0.354 489 HZ3 LYS 64 2HZ LYS 64 20.952 2.071 0.549 490 H SER 65 H SER 65 15.303 7.162 0.312 491 HA SER 65 HA SER 65 12.467 7.395 -0.063 492 HB2 SER 65 2HB SER 65 12.972 9.837 -0.569 493 HB3 SER 65 1HB SER 65 13.464 9.267 1.022 494 HG SER 65 HG SER 65 15.369 9.023 -0.970 495 H GLY 66 H GLY 66 11.643 6.494 -1.732 496 HA2 GLY 66 2HA GLY 66 11.179 6.873 -4.131 497 HA3 GLY 66 1HA GLY 66 12.924 6.880 -4.366 498 H GLU 67 H GLU 67 12.296 4.709 -1.983 499 HA GLU 67 HA GLU 67 11.910 2.488 -3.793 500 HB2 GLU 67 2HB GLU 67 13.958 2.673 -1.572 501 HB3 GLU 67 1HB GLU 67 13.533 1.180 -2.387 502 HG2 GLU 67 2HG GLU 67 14.285 2.109 -4.528 503 HG3 GLU 67 1HG GLU 67 14.713 3.613 -3.721 504 H VAL 68 H VAL 68 11.295 0.490 -2.498 505 HA VAL 68 HA VAL 68 9.305 1.438 -0.542 506 HB VAL 68 HB VAL 68 8.335 0.901 -2.772 507 HG11 VAL 68 1HG1 VAL 68 9.850 -0.881 -3.440 508 HG12 VAL 68 2HG1 VAL 68 8.165 -1.406 -3.536 509 HG13 VAL 68 3HG1 VAL 68 9.180 -1.922 -2.191 510 HG21 VAL 68 3HG2 VAL 68 6.526 -0.427 -2.033 511 HG22 VAL 68 1HG2 VAL 68 6.981 0.689 -0.747 512 HG23 VAL 68 2HG2 VAL 68 7.449 -1.021 -0.638 513 H ALA 69 H ALA 69 8.977 0.243 1.240 514 HA ALA 69 HA ALA 69 10.631 -2.144 1.616 515 HB1 ALA 69 1HB ALA 69 10.963 -0.372 3.285 516 HB2 ALA 69 2HB ALA 69 10.208 -1.782 4.029 517 HB3 ALA 69 3HB ALA 69 9.235 -0.363 3.635 518 H VAL 70 H VAL 70 9.593 -4.093 1.825 519 HA VAL 70 HA VAL 70 6.653 -3.968 1.636 520 HB VAL 70 HB VAL 70 8.435 -6.127 0.513 521 HG11 VAL 70 1HG1 VAL 70 5.517 -5.556 0.054 522 HG12 VAL 70 2HG1 VAL 70 6.208 -6.910 0.960 523 HG13 VAL 70 3HG1 VAL 70 6.465 -6.787 -0.779 524 HG21 VAL 70 3HG2 VAL 70 7.189 -3.818 -0.991 525 HG22 VAL 70 1HG2 VAL 70 8.024 -5.188 -1.724 526 HG23 VAL 70 2HG2 VAL 70 8.911 -4.061 -0.697 527 H LEU 71 H LEU 71 5.495 -5.296 2.926 528 HA LEU 71 HA LEU 71 6.961 -7.242 4.584 529 HB2 LEU 71 2HB LEU 71 4.467 -5.700 5.327 530 HB3 LEU 71 1HB LEU 71 5.090 -7.037 6.241 531 HG LEU 71 HG LEU 71 6.449 -4.384 5.842 532 HD11 LEU 71 1HD1 LEU 71 6.115 -4.140 8.257 533 HD12 LEU 71 2HD1 LEU 71 5.301 -5.704 8.304 534 HD13 LEU 71 3HD1 LEU 71 4.571 -4.367 7.426 535 HD21 LEU 71 3HD2 LEU 71 8.120 -6.153 5.907 536 HD22 LEU 71 1HD2 LEU 71 7.396 -6.807 7.379 537 HD23 LEU 71 2HD2 LEU 71 8.150 -5.216 7.394 538 H LYS 72 H LYS 72 6.426 -9.257 4.243 539 HA LYS 72 HA LYS 72 3.870 -9.735 2.935 540 HB2 LYS 72 2HB LYS 72 5.816 -10.658 1.762 541 HB3 LYS 72 1HB LYS 72 6.227 -11.603 3.203 542 HG2 LYS 72 2HG LYS 72 4.103 -12.810 3.008 543 HG3 LYS 72 1HG LYS 72 3.692 -11.860 1.586 544 HD2 LYS 72 2HD LYS 72 4.496 -14.035 0.903 545 HD3 LYS 72 1HD LYS 72 5.659 -12.802 0.430 546 HE2 LYS 72 2HE LYS 72 7.061 -13.377 2.347 547 HE3 LYS 72 1HE LYS 72 5.858 -14.562 2.867 548 HZ1 LYS 72 3HZ LYS 72 7.338 -14.656 0.308 549 HZ2 LYS 72 1HZ LYS 72 6.213 -15.783 0.861 550 HZ3 LYS 72 2HZ LYS 72 7.676 -15.592 1.685 551 H ARG 73 H ARG 73 2.387 -10.668 3.960 552 HA ARG 73 HA ARG 73 2.978 -12.154 6.394 553 HB2 ARG 73 2HB ARG 73 2.232 -9.605 6.625 554 HB3 ARG 73 1HB ARG 73 0.643 -10.281 6.332 555 HG2 ARG 73 2HG ARG 73 1.109 -9.978 8.717 556 HG3 ARG 73 1HG ARG 73 0.822 -11.663 8.294 557 HD2 ARG 73 2HD ARG 73 2.767 -11.209 9.881 558 HD3 ARG 73 1HD ARG 73 3.110 -12.230 8.493 559 HE ARG 73 HE ARG 73 4.051 -10.182 7.447 560 HH11 ARG 73 1HH1 ARG 73 3.999 -10.407 11.008 561 HH12 ARG 73 2HH1 ARG 73 5.410 -9.501 11.214 562 HH21 ARG 73 1HH2 ARG 73 6.057 -8.969 7.764 563 HH22 ARG 73 2HH2 ARG 73 6.662 -8.676 9.308 564 H ASP 74 H ASP 74 0.320 -12.922 6.960 565 HA ASP 74 HA ASP 74 -0.042 -14.884 4.995 566 HB2 ASP 74 2HB ASP 74 -0.790 -15.259 7.272 567 HB3 ASP 74 1HB ASP 74 -2.008 -14.002 7.104 568 H GLY 75 H GLY 75 -0.341 -14.246 2.994 569 HA2 GLY 75 2HA GLY 75 -1.563 -13.758 1.104 570 HA3 GLY 75 1HA GLY 75 -2.979 -13.566 2.127 571 H ARG 76 H ARG 76 -0.461 -11.680 3.238 572 HA ARG 76 HA ARG 76 -1.603 -9.290 1.981 573 HB2 ARG 76 2HB ARG 76 -0.319 -9.630 4.674 574 HB3 ARG 76 1HB ARG 76 -0.996 -8.148 4.033 575 HG2 ARG 76 2HG ARG 76 -2.589 -10.652 4.562 576 HG3 ARG 76 1HG ARG 76 -2.432 -9.317 5.700 577 HD2 ARG 76 2HD ARG 76 -4.504 -9.187 4.486 578 HD3 ARG 76 1HD ARG 76 -3.423 -7.827 4.081 579 HE ARG 76 HE ARG 76 -3.323 -10.049 2.260 580 HH11 ARG 76 1HH1 ARG 76 -5.035 -7.015 2.961 581 HH12 ARG 76 2HH1 ARG 76 -5.512 -6.791 1.337 582 HH21 ARG 76 1HH2 ARG 76 -3.984 -9.682 0.055 583 HH22 ARG 76 2HH2 ARG 76 -4.910 -8.279 -0.278 584 H TYR 77 H TYR 77 -0.237 -7.938 1.011 585 HA TYR 77 HA TYR 77 2.590 -8.012 1.698 586 HB2 TYR 77 2HB TYR 77 1.353 -7.509 -1.041 587 HB3 TYR 77 1HB TYR 77 3.026 -7.163 -0.610 588 HD1 TYR 77 2HD TYR 77 0.574 -9.917 -1.100 589 HD2 TYR 77 1HD TYR 77 4.660 -8.847 -0.625 590 HE1 TYR 77 2HE TYR 77 1.244 -12.197 -1.755 591 HE2 TYR 77 1HE TYR 77 5.345 -11.102 -1.271 592 HH TYR 77 HH TYR 77 3.171 -13.363 -2.649 593 H ILE 78 H ILE 78 3.165 -6.134 2.538 594 HA ILE 78 HA ILE 78 1.329 -3.888 2.106 595 HB ILE 78 HB ILE 78 3.288 -4.132 4.395 596 HG12 ILE 78 2HG1 ILE 78 1.746 -6.042 4.556 597 HG13 ILE 78 1HG1 ILE 78 1.403 -4.860 5.811 598 HG21 ILE 78 1HG2 ILE 78 0.785 -2.504 3.963 599 HG22 ILE 78 2HG2 ILE 78 2.444 -1.912 3.854 600 HG23 ILE 78 3HG2 ILE 78 1.801 -2.452 5.409 601 HD11 ILE 78 3HD1 ILE 78 -0.477 -4.037 4.498 602 HD12 ILE 78 1HD1 ILE 78 -0.602 -5.769 4.868 603 HD13 ILE 78 2HD1 ILE 78 -0.103 -5.242 3.252 604 H TYR 79 H TYR 79 2.109 -2.243 1.071 605 HA TYR 79 HA TYR 79 4.989 -2.137 0.607 606 HB2 TYR 79 2HB TYR 79 2.713 -0.978 -0.982 607 HB3 TYR 79 1HB TYR 79 4.414 -0.701 -1.339 608 HD1 TYR 79 1HD TYR 79 1.707 -3.166 -1.332 609 HD2 TYR 79 2HD TYR 79 5.787 -2.426 -2.226 610 HE1 TYR 79 1HE TYR 79 1.797 -5.250 -2.575 611 HE2 TYR 79 2HE TYR 79 5.911 -4.501 -3.467 612 HH TYR 79 HH TYR 79 3.158 -6.306 -4.311 613 H TYR 80 H TYR 80 5.946 -0.891 1.945 614 HA TYR 80 HA TYR 80 4.686 1.593 2.752 615 HB2 TYR 80 2HB TYR 80 7.188 0.203 3.699 616 HB3 TYR 80 1HB TYR 80 6.612 1.737 4.325 617 HD1 TYR 80 2HD TYR 80 5.916 -1.857 4.101 618 HD2 TYR 80 1HD TYR 80 4.870 1.810 5.959 619 HE1 TYR 80 2HE TYR 80 4.637 -3.087 5.777 620 HE2 TYR 80 1HE TYR 80 3.568 0.582 7.659 621 HH TYR 80 HH TYR 80 3.849 -2.773 8.070 622 H LEU 81 H LEU 81 4.903 2.904 1.143 623 HA LEU 81 HA LEU 81 7.186 3.066 -0.585 624 HB2 LEU 81 2HB LEU 81 4.906 5.000 -0.155 625 HB3 LEU 81 1HB LEU 81 5.952 4.972 -1.540 626 HG LEU 81 HG LEU 81 3.896 2.884 -0.795 627 HD11 LEU 81 1HD1 LEU 81 2.908 4.919 -1.627 628 HD12 LEU 81 2HD1 LEU 81 2.752 3.626 -2.819 629 HD13 LEU 81 3HD1 LEU 81 3.970 4.884 -3.035 630 HD21 LEU 81 3HD2 LEU 81 5.652 2.971 -3.264 631 HD22 LEU 81 1HD2 LEU 81 4.405 1.789 -2.914 632 HD23 LEU 81 2HD2 LEU 81 5.839 1.859 -1.905 633 H ILE 82 H ILE 82 9.037 4.074 0.041 634 HA ILE 82 HA ILE 82 8.968 5.970 2.326 635 HB ILE 82 HB ILE 82 11.376 5.005 0.773 636 HG12 ILE 82 2HG1 ILE 82 10.185 3.034 1.839 637 HG13 ILE 82 1HG1 ILE 82 11.830 3.286 2.394 638 HG21 ILE 82 1HG2 ILE 82 12.592 5.698 2.802 639 HG22 ILE 82 2HG2 ILE 82 11.055 6.220 3.502 640 HG23 ILE 82 3HG2 ILE 82 11.681 7.024 2.067 641 HD11 ILE 82 3HD1 ILE 82 10.974 4.280 4.444 642 HD12 ILE 82 1HD1 ILE 82 10.405 2.648 4.199 643 HD13 ILE 82 2HD1 ILE 82 9.305 4.011 3.921 644 H THR 83 H THR 83 8.351 7.855 1.729 645 HA THR 83 HA THR 83 9.097 8.782 -0.893 646 HB THR 83 HB THR 83 7.596 10.709 -0.320 647 HG1 THR 83 1HG THR 83 6.200 10.310 1.511 648 HG21 THR 83 3HG2 THR 83 6.824 8.808 -1.664 649 HG22 THR 83 1HG2 THR 83 5.534 9.381 -0.605 650 HG23 THR 83 2HG2 THR 83 6.429 7.918 -0.194 651 H LYS 84 H LYS 84 9.479 9.884 2.483 652 HA LYS 84 HA LYS 84 11.746 11.524 1.594 653 HB2 LYS 84 2HB LYS 84 9.426 12.498 3.271 654 HB3 LYS 84 1HB LYS 84 10.914 13.386 3.041 655 HG2 LYS 84 2HG LYS 84 9.207 12.634 0.678 656 HG3 LYS 84 1HG LYS 84 8.775 14.012 1.675 657 HD2 LYS 84 2HD LYS 84 10.012 14.789 -0.258 658 HD3 LYS 84 1HD LYS 84 11.005 15.015 1.168 659 HE2 LYS 84 2HE LYS 84 12.294 13.010 0.558 660 HE3 LYS 84 1HE LYS 84 11.271 12.789 -0.862 661 HZ1 LYS 84 3HZ LYS 84 13.378 13.898 -1.394 662 HZ2 LYS 84 1HZ LYS 84 13.019 15.153 -0.353 663 HZ3 LYS 84 2HZ LYS 84 12.093 14.919 -1.718 664 H LYS 85 H LYS 85 12.859 12.471 3.608 665 HA LYS 85 HA LYS 85 13.752 10.437 5.335 666 HB2 LYS 85 2HB LYS 85 13.927 13.427 5.686 667 HB3 LYS 85 1HB LYS 85 14.837 12.262 6.616 668 HG2 LYS 85 2HG LYS 85 15.989 11.556 4.569 669 HG3 LYS 85 1HG LYS 85 15.040 12.749 3.668 670 HD2 LYS 85 2HD LYS 85 15.979 14.544 4.992 671 HD3 LYS 85 1HD LYS 85 16.912 13.389 5.942 672 HE2 LYS 85 2HE LYS 85 18.085 12.704 3.879 673 HE3 LYS 85 1HE LYS 85 17.148 13.912 2.997 674 HZ1 LYS 85 3HZ LYS 85 18.191 15.652 4.265 675 HZ2 LYS 85 1HZ LYS 85 19.365 14.669 3.588 676 HZ3 LYS 85 2HZ LYS 85 19.012 14.537 5.228 677 H ARG 86 H ARG 86 11.771 13.271 5.977 678 HA ARG 86 HA ARG 86 11.003 12.278 8.619 679 HB2 ARG 86 2HB ARG 86 11.160 14.971 7.347 680 HB3 ARG 86 1HB ARG 86 10.090 14.747 8.705 681 HG2 ARG 86 2HG ARG 86 12.355 15.720 9.115 682 HG3 ARG 86 1HG ARG 86 11.939 14.360 10.191 683 HD2 ARG 86 2HD ARG 86 13.352 12.972 8.674 684 HD3 ARG 86 1HD ARG 86 13.709 14.449 7.769 685 HE ARG 86 HE ARG 86 14.597 15.320 9.925 686 HH11 ARG 86 1HH1 ARG 86 14.748 11.815 9.226 687 HH12 ARG 86 2HH1 ARG 86 16.065 11.557 10.249 688 HH21 ARG 86 1HH2 ARG 86 16.430 14.886 11.336 689 HH22 ARG 86 2HH2 ARG 86 17.028 13.308 11.468 690 H ALA 87 H ALA 87 8.796 12.145 9.175 691 HA ALA 87 HA ALA 87 6.974 11.619 7.031 692 HB1 ALA 87 1HB ALA 87 6.904 10.345 9.113 693 HB2 ALA 87 2HB ALA 87 5.360 11.142 8.805 694 HB3 ALA 87 3HB ALA 87 6.483 11.809 9.996 695 H SER 88 H SER 88 7.866 14.357 8.782 696 HA SER 88 HA SER 88 5.405 15.757 8.240 697 HB2 SER 88 2HB SER 88 6.752 16.062 10.373 698 HB3 SER 88 1HB SER 88 7.991 16.844 9.399 699 HG SER 88 HG SER 88 5.359 17.643 9.923 700 H HIS 89 H HIS 89 7.915 14.779 6.376 701 HA HIS 89 HA HIS 89 8.193 17.197 4.796 702 HB2 HIS 89 2HB HIS 89 9.394 14.424 4.469 703 HB3 HIS 89 1HB HIS 89 9.550 15.649 3.255 704 HD1 HIS 89 1HD HIS 89 12.172 14.876 4.037 705 HD2 HIS 89 2HD HIS 89 10.020 17.535 6.381 706 HE1 HIS 89 1HE HIS 89 13.858 15.893 5.572 707 HE2 HIS 89 2HE HIS 89 12.579 17.780 6.697 708 H LYS 90 H LYS 90 7.603 17.221 2.646 709 HA LYS 90 HA LYS 90 5.207 15.634 2.211 710 HB2 LYS 90 2HB LYS 90 6.020 18.295 1.012 711 HB3 LYS 90 1HB LYS 90 4.602 17.396 0.506 712 HG2 LYS 90 2HG LYS 90 3.916 19.147 2.011 713 HG3 LYS 90 1HG LYS 90 3.698 17.604 2.818 714 HD2 LYS 90 2HD LYS 90 5.822 17.982 4.039 715 HD3 LYS 90 1HD LYS 90 5.984 19.543 3.242 716 HE2 LYS 90 2HE LYS 90 3.916 20.307 4.277 717 HE3 LYS 90 1HE LYS 90 3.694 18.730 5.033 718 HZ1 LYS 90 3HZ LYS 90 5.932 20.618 5.578 719 HZ2 LYS 90 1HZ LYS 90 5.746 19.093 6.280 720 HZ3 LYS 90 2HZ LYS 90 4.629 20.313 6.579 721 HA PRO 91 HA PRO 91 7.389 13.249 -0.766 722 HB2 PRO 91 2HB PRO 91 5.225 12.260 -2.124 723 HB3 PRO 91 1HB PRO 91 5.773 11.633 -0.566 724 HG2 PRO 91 2HG PRO 91 3.580 13.569 -1.160 725 HG3 PRO 91 1HG PRO 91 3.593 12.211 -0.018 726 HD2 PRO 91 2HD PRO 91 3.927 14.742 0.795 727 HD3 PRO 91 1HD PRO 91 4.799 13.397 1.564 728 H THR 92 H THR 92 8.204 13.542 -2.861 729 HA THR 92 HA THR 92 7.114 15.736 -4.335 730 HB THR 92 HB THR 92 9.533 13.976 -4.749 731 HG1 THR 92 1HG THR 92 10.656 15.474 -3.671 732 HG21 THR 92 3HG2 THR 92 10.381 15.890 -5.982 733 HG22 THR 92 1HG2 THR 92 8.868 16.756 -5.649 734 HG23 THR 92 2HG2 THR 92 8.846 15.288 -6.642 735 H TYR 93 H TYR 93 6.544 15.268 -6.569 736 HA TYR 93 HA TYR 93 5.233 12.890 -7.024 737 HB2 TYR 93 2HB TYR 93 6.258 14.976 -8.923 738 HB3 TYR 93 1HB TYR 93 5.378 13.560 -9.482 739 HD1 TYR 93 1HD TYR 93 5.091 16.649 -7.425 740 HD2 TYR 93 2HD TYR 93 3.058 13.378 -9.222 741 HE1 TYR 93 1HE TYR 93 2.955 17.743 -6.997 742 HE2 TYR 93 2HE TYR 93 0.921 14.450 -8.792 743 HH TYR 93 HH TYR 93 0.720 17.702 -7.893 744 H GLU 94 H GLU 94 8.580 13.810 -7.697 745 HA GLU 94 HA GLU 94 9.272 11.638 -9.311 746 HB2 GLU 94 2HB GLU 94 10.580 13.704 -9.083 747 HB3 GLU 94 1HB GLU 94 10.947 13.279 -7.420 748 HG2 GLU 94 2HG GLU 94 12.059 11.267 -8.217 749 HG3 GLU 94 1HG GLU 94 11.760 11.787 -9.876 750 H ASN 95 H ASN 95 9.664 12.191 -5.809 751 HA ASN 95 HA ASN 95 10.812 9.694 -5.167 752 HB2 ASN 95 2HB ASN 95 9.157 11.543 -3.434 753 HB3 ASN 95 1HB ASN 95 10.097 10.180 -2.848 754 HD21 ASN 95 1HD2 ASN 95 12.296 10.361 -2.782 755 HD22 ASN 95 2HD2 ASN 95 13.115 11.872 -2.941 756 H LEU 96 H LEU 96 7.486 10.859 -5.127 757 HA LEU 96 HA LEU 96 6.373 8.516 -4.124 758 HB2 LEU 96 2HB LEU 96 5.205 10.663 -4.185 759 HB3 LEU 96 1HB LEU 96 5.121 10.570 -5.930 760 HG LEU 96 HG LEU 96 3.639 8.599 -5.759 761 HD11 LEU 96 1HD1 LEU 96 4.447 7.695 -3.641 762 HD12 LEU 96 2HD1 LEU 96 2.709 7.980 -3.583 763 HD13 LEU 96 3HD1 LEU 96 3.813 9.100 -2.782 764 HD21 LEU 96 3HD2 LEU 96 2.683 10.829 -5.897 765 HD22 LEU 96 1HD2 LEU 96 2.769 10.986 -4.143 766 HD23 LEU 96 2HD2 LEU 96 1.695 9.786 -4.865 767 H GLN 97 H GLN 97 6.771 9.541 -7.603 768 HA GLN 97 HA GLN 97 5.511 7.247 -8.549 769 HB2 GLN 97 2HB GLN 97 6.297 7.841 -10.707 770 HB3 GLN 97 1HB GLN 97 5.889 9.325 -9.878 771 HG2 GLN 97 2HG GLN 97 8.340 9.585 -9.358 772 HG3 GLN 97 1HG GLN 97 8.561 8.163 -10.393 773 HE21 GLN 97 1HE2 GLN 97 6.549 8.888 -12.267 774 HE22 GLN 97 2HE2 GLN 97 7.162 10.188 -13.212 775 H LYS 98 H LYS 98 8.876 7.865 -7.665 776 HA LYS 98 HA LYS 98 9.930 5.473 -8.711 777 HB2 LYS 98 2HB LYS 98 10.809 7.150 -6.384 778 HB3 LYS 98 1HB LYS 98 11.711 5.755 -6.926 779 HG2 LYS 98 2HG LYS 98 11.968 6.855 -9.126 780 HG3 LYS 98 1HG LYS 98 11.155 8.277 -8.458 781 HD2 LYS 98 2HD LYS 98 12.868 8.478 -6.748 782 HD3 LYS 98 1HD LYS 98 13.653 7.022 -7.356 783 HE2 LYS 98 2HE LYS 98 14.057 8.143 -9.489 784 HE3 LYS 98 1HE LYS 98 13.291 9.600 -8.866 785 HZ1 LYS 98 3HZ LYS 98 14.998 9.749 -7.176 786 HZ2 LYS 98 1HZ LYS 98 15.706 9.690 -8.712 787 HZ3 LYS 98 2HZ LYS 98 15.712 8.329 -7.717 788 H SER 99 H SER 99 8.368 6.217 -5.688 789 HA SER 99 HA SER 99 8.767 3.716 -4.438 790 HB2 SER 99 2HB SER 99 6.468 5.665 -4.105 791 HB3 SER 99 1HB SER 99 6.984 4.381 -2.999 792 HG SER 99 HG SER 99 8.572 6.633 -3.733 793 H LEU 100 H LEU 100 6.155 5.022 -6.510 794 HA LEU 100 HA LEU 100 4.535 2.720 -6.762 795 HB2 LEU 100 2HB LEU 100 5.101 5.106 -8.529 796 HB3 LEU 100 1HB LEU 100 4.055 3.829 -9.067 797 HG LEU 100 HG LEU 100 2.990 5.946 -8.170 798 HD11 LEU 100 1HD1 LEU 100 1.175 4.681 -7.044 799 HD12 LEU 100 2HD1 LEU 100 2.262 3.296 -6.909 800 HD13 LEU 100 3HD1 LEU 100 1.756 3.858 -8.499 801 HD21 LEU 100 3HD2 LEU 100 2.620 6.076 -5.751 802 HD22 LEU 100 1HD2 LEU 100 4.324 6.252 -6.164 803 HD23 LEU 100 2HD2 LEU 100 3.729 4.725 -5.515 804 H GLU 101 H GLU 101 7.300 3.784 -8.712 805 HA GLU 101 HA GLU 101 7.518 1.706 -10.618 806 HB2 GLU 101 2HB GLU 101 9.604 3.287 -9.124 807 HB3 GLU 101 1HB GLU 101 9.982 2.215 -10.450 808 HG2 GLU 101 2HG GLU 101 8.066 4.474 -10.696 809 HG3 GLU 101 1HG GLU 101 9.803 4.666 -10.939 810 H ALA 102 H ALA 102 9.066 1.942 -7.498 811 HA ALA 102 HA ALA 102 10.271 -0.596 -7.504 812 HB1 ALA 102 1HB ALA 102 10.818 1.277 -5.922 813 HB2 ALA 102 2HB ALA 102 10.585 -0.291 -5.138 814 HB3 ALA 102 3HB ALA 102 9.309 0.901 -5.069 815 H MET 103 H MET 103 7.217 0.499 -6.152 816 HA MET 103 HA MET 103 6.380 -1.908 -5.082 817 HB2 MET 103 2HB MET 103 5.436 0.122 -4.308 818 HB3 MET 103 1HB MET 103 4.945 0.590 -5.925 819 HG2 MET 103 2HG MET 103 3.309 -0.937 -6.007 820 HG3 MET 103 1HG MET 103 3.833 -1.801 -4.517 821 HE1 MET 103 3HE MET 103 3.451 2.067 -5.247 822 HE2 MET 103 1HE MET 103 1.782 2.329 -4.753 823 HE3 MET 103 2HE MET 103 2.136 1.299 -6.147 824 H LYS 104 H LYS 104 5.709 -0.472 -8.310 825 HA LYS 104 HA LYS 104 3.919 -2.487 -9.027 826 HB2 LYS 104 2HB LYS 104 3.891 -1.486 -11.219 827 HB3 LYS 104 1HB LYS 104 3.921 -0.243 -10.004 828 HG2 LYS 104 2HG LYS 104 5.173 0.522 -11.745 829 HG3 LYS 104 1HG LYS 104 6.365 0.044 -10.531 830 HD2 LYS 104 2HD LYS 104 6.823 -1.983 -11.782 831 HD3 LYS 104 1HD LYS 104 5.466 -1.578 -12.856 832 HE2 LYS 104 2HE LYS 104 7.757 -1.129 -13.800 833 HE3 LYS 104 1HE LYS 104 6.651 0.246 -13.831 834 HZ1 LYS 104 3HZ LYS 104 7.853 1.258 -12.230 835 HZ2 LYS 104 1HZ LYS 104 8.973 0.597 -13.226 836 HZ3 LYS 104 2HZ LYS 104 8.735 -0.136 -11.729 837 H SER 105 H SER 105 7.387 -2.243 -9.279 838 HA SER 105 HA SER 105 7.715 -4.399 -11.084 839 HB2 SER 105 2HB SER 105 9.667 -3.240 -9.081 840 HB3 SER 105 1HB SER 105 10.080 -4.265 -10.455 841 HG SER 105 HG SER 105 9.647 -1.618 -10.347 842 H HIS 106 H HIS 106 7.709 -4.143 -7.552 843 HA HIS 106 HA HIS 106 8.482 -6.842 -7.074 844 HB2 HIS 106 2HB HIS 106 8.716 -5.191 -5.303 845 HB3 HIS 106 1HB HIS 106 6.967 -4.956 -5.266 846 HD1 HIS 106 1HD HIS 106 5.806 -6.298 -3.481 847 HD2 HIS 106 2HD HIS 106 9.212 -8.114 -4.902 848 HE1 HIS 106 1HE HIS 106 6.044 -8.267 -2.078 849 HE2 HIS 106 2HE HIS 106 8.340 -9.163 -2.631 850 H CYS 107 H CYS 107 5.348 -5.322 -7.456 851 HA CYS 107 HA CYS 107 3.813 -7.485 -6.600 852 HB2 CYS 107 2HB CYS 107 3.218 -5.333 -8.598 853 HB3 CYS 107 1HB CYS 107 1.988 -6.396 -7.919 854 HG CYS 107 HG CYS 107 3.667 -3.839 -6.544 855 H LEU 108 H LEU 108 5.311 -6.767 -9.677 856 HA LEU 108 HA LEU 108 4.075 -8.638 -11.308 857 HB2 LEU 108 2HB LEU 108 6.914 -7.673 -11.333 858 HB3 LEU 108 1HB LEU 108 6.107 -8.503 -12.641 859 HG LEU 108 HG LEU 108 5.389 -5.783 -11.578 860 HD11 LEU 108 1HD1 LEU 108 6.705 -6.656 -14.135 861 HD12 LEU 108 2HD1 LEU 108 7.484 -5.841 -12.775 862 HD13 LEU 108 3HD1 LEU 108 6.250 -4.995 -13.720 863 HD21 LEU 108 3HD2 LEU 108 3.478 -7.001 -12.343 864 HD22 LEU 108 1HD2 LEU 108 4.291 -7.398 -13.857 865 HD23 LEU 108 2HD2 LEU 108 3.861 -5.711 -13.492 866 H LYS 109 H LYS 109 6.849 -8.920 -9.131 867 HA LYS 109 HA LYS 109 7.625 -11.478 -10.116 868 HB2 LYS 109 2HB LYS 109 8.355 -10.246 -7.472 869 HB3 LYS 109 1HB LYS 109 9.229 -11.498 -8.347 870 HG2 LYS 109 2HG LYS 109 9.482 -9.879 -10.196 871 HG3 LYS 109 1HG LYS 109 8.851 -8.644 -9.136 872 HD2 LYS 109 2HD LYS 109 11.279 -8.491 -9.011 873 HD3 LYS 109 1HD LYS 109 10.671 -9.136 -7.495 874 HE2 LYS 109 2HE LYS 109 11.269 -11.392 -8.142 875 HE3 LYS 109 1HE LYS 109 11.739 -10.837 -9.747 876 HZ1 LYS 109 3HZ LYS 109 13.636 -11.200 -8.298 877 HZ2 LYS 109 1HZ LYS 109 13.087 -10.040 -7.208 878 HZ3 LYS 109 2HZ LYS 109 13.545 -9.618 -8.779 879 H ASN 110 H ASN 110 5.297 -10.500 -8.008 880 HA ASN 110 HA ASN 110 5.151 -13.170 -6.711 881 HB2 ASN 110 2HB ASN 110 4.299 -10.523 -5.556 882 HB3 ASN 110 1HB ASN 110 4.020 -12.083 -4.786 883 HD21 ASN 110 1HD2 ASN 110 6.446 -9.786 -5.807 884 HD22 ASN 110 2HD2 ASN 110 7.703 -10.431 -4.803 885 H GLY 111 H GLY 111 3.691 -11.665 -9.081 886 HA2 GLY 111 2HA GLY 111 1.683 -12.092 -10.152 887 HA3 GLY 111 1HA GLY 111 1.377 -13.314 -8.932 888 H VAL 112 H VAL 112 1.977 -9.969 -8.168 889 HA VAL 112 HA VAL 112 -0.714 -9.805 -7.098 890 HB VAL 112 HB VAL 112 1.670 -7.960 -6.694 891 HG11 VAL 112 1HG1 VAL 112 -0.457 -6.750 -6.509 892 HG12 VAL 112 2HG1 VAL 112 0.332 -6.899 -4.937 893 HG13 VAL 112 3HG1 VAL 112 -1.029 -7.941 -5.338 894 HG21 VAL 112 3HG2 VAL 112 1.709 -8.875 -4.413 895 HG22 VAL 112 1HG2 VAL 112 1.959 -10.131 -5.636 896 HG23 VAL 112 2HG2 VAL 112 0.386 -9.960 -4.861 897 H THR 113 H THR 113 -2.148 -8.967 -8.345 898 HA THR 113 HA THR 113 -1.380 -6.889 -10.316 899 HB THR 113 HB THR 113 -1.644 -9.148 -11.390 900 HG1 THR 113 1HG THR 113 -3.628 -7.231 -12.056 901 HG21 THR 113 3HG2 THR 113 -3.314 -10.122 -9.898 902 HG22 THR 113 1HG2 THR 113 -3.898 -10.142 -11.562 903 HG23 THR 113 2HG2 THR 113 -4.506 -8.934 -10.429 904 H ASP 114 H ASP 114 -2.872 -7.338 -7.586 905 HA ASP 114 HA ASP 114 -4.708 -5.169 -8.156 906 HB2 ASP 114 2HB ASP 114 -5.397 -7.665 -6.624 907 HB3 ASP 114 1HB ASP 114 -6.137 -6.125 -6.252 908 H LEU 115 H LEU 115 -4.283 -3.577 -7.021 909 HA LEU 115 HA LEU 115 -3.055 -3.877 -4.368 910 HB2 LEU 115 2HB LEU 115 -2.371 -2.046 -6.601 911 HB3 LEU 115 1HB LEU 115 -1.935 -1.584 -4.988 912 HG LEU 115 HG LEU 115 -1.045 -4.070 -6.431 913 HD11 LEU 115 1HD1 LEU 115 1.151 -2.907 -6.462 914 HD12 LEU 115 2HD1 LEU 115 0.401 -1.523 -5.662 915 HD13 LEU 115 3HD1 LEU 115 -0.080 -1.955 -7.302 916 HD21 LEU 115 3HD2 LEU 115 0.524 -4.323 -4.558 917 HD22 LEU 115 1HD2 LEU 115 -1.158 -4.443 -4.047 918 HD23 LEU 115 2HD2 LEU 115 -0.242 -2.964 -3.739 919 H SER 116 H SER 116 -3.858 -2.628 -2.791 920 HA SER 116 HA SER 116 -5.746 -0.637 -3.607 921 HB2 SER 116 2HB SER 116 -6.999 -1.264 -1.509 922 HB3 SER 116 1HB SER 116 -7.123 -2.393 -2.868 923 HG SER 116 HG SER 116 -6.644 -3.734 -1.337 924 H MET 117 H MET 117 -5.824 1.181 -2.380 925 HA MET 117 HA MET 117 -4.078 1.499 -0.144 926 HB2 MET 117 2HB MET 117 -2.614 3.176 -1.165 927 HB3 MET 117 1HB MET 117 -2.501 1.679 -2.068 928 HG2 MET 117 2HG MET 117 -4.054 2.684 -3.777 929 HG3 MET 117 1HG MET 117 -3.966 4.192 -2.871 930 HE1 MET 117 3HE MET 117 -0.440 2.187 -5.058 931 HE2 MET 117 1HE MET 117 -2.077 1.532 -5.026 932 HE3 MET 117 2HE MET 117 -1.101 1.538 -3.561 933 HA PRO 118 HA PRO 118 -7.132 4.740 0.209 934 HB2 PRO 118 2HB PRO 118 -6.155 6.115 2.287 935 HB3 PRO 118 1HB PRO 118 -6.656 4.437 2.520 936 HG2 PRO 118 2HG PRO 118 -3.918 5.568 2.204 937 HG3 PRO 118 1HG PRO 118 -4.478 4.270 3.276 938 HD2 PRO 118 2HD PRO 118 -3.200 3.928 0.827 939 HD3 PRO 118 1HD PRO 118 -4.152 2.689 1.656 940 H ARG 119 H ARG 119 -6.821 7.395 0.680 941 HA ARG 119 HA ARG 119 -5.247 8.262 -1.515 942 HB2 ARG 119 2HB ARG 119 -6.720 9.856 0.577 943 HB3 ARG 119 1HB ARG 119 -5.710 10.623 -0.634 944 HG2 ARG 119 2HG ARG 119 -7.141 9.569 -2.393 945 HG3 ARG 119 1HG ARG 119 -8.202 8.991 -1.100 946 HD2 ARG 119 2HD ARG 119 -8.675 11.242 -0.405 947 HD3 ARG 119 1HD ARG 119 -7.442 11.865 -1.495 948 HE ARG 119 HE ARG 119 -9.738 10.467 -2.648 949 HH11 ARG 119 1HH1 ARG 119 -8.003 13.508 -2.074 950 HH12 ARG 119 2HH1 ARG 119 -8.842 14.381 -3.259 951 HH21 ARG 119 1HH2 ARG 119 -10.905 11.688 -4.273 952 HH22 ARG 119 2HH2 ARG 119 -10.521 13.318 -4.547 953 H ILE 120 H ILE 120 -3.292 7.680 -1.283 954 HA ILE 120 HA ILE 120 -1.692 8.026 0.969 955 HB ILE 120 HB ILE 120 0.241 7.617 -0.658 956 HG12 ILE 120 2HG1 ILE 120 -2.093 7.350 -2.574 957 HG13 ILE 120 1HG1 ILE 120 -0.744 8.481 -2.721 958 HG21 ILE 120 1HG2 ILE 120 -0.778 5.844 0.650 959 HG22 ILE 120 2HG2 ILE 120 -0.357 5.251 -0.958 960 HG23 ILE 120 3HG2 ILE 120 -2.034 5.638 -0.569 961 HD11 ILE 120 3HD1 ILE 120 -0.558 6.693 -4.300 962 HD12 ILE 120 1HD1 ILE 120 -0.742 5.497 -3.031 963 HD13 ILE 120 2HD1 ILE 120 0.728 6.486 -3.093 964 H GLY 121 H GLY 121 -1.518 9.843 1.849 965 HA2 GLY 121 2HA GLY 121 -0.030 11.871 1.710 966 HA3 GLY 121 1HA GLY 121 -1.009 12.262 0.282 967 H CYS 122 H CYS 122 -3.102 12.889 0.482 968 HA CYS 122 HA CYS 122 -5.020 13.640 1.323 969 HB2 CYS 122 2HB CYS 122 -5.273 11.361 2.205 970 HB3 CYS 122 1HB CYS 122 -4.417 11.826 3.669 971 HG CYS 122 HG CYS 122 -6.429 13.582 4.553 972 H GLY 123 H GLY 123 -3.024 13.447 4.261 973 HA2 GLY 123 2HA GLY 123 -4.066 15.987 5.162 974 HA3 GLY 123 1HA GLY 123 -2.903 14.980 6.016 975 H LEU 124 H LEU 124 -1.819 15.215 2.992 976 HA LEU 124 HA LEU 124 -0.209 17.589 3.577 977 HB2 LEU 124 2HB LEU 124 0.555 15.183 1.908 978 HB3 LEU 124 1HB LEU 124 1.571 16.573 2.211 979 HG LEU 124 HG LEU 124 0.651 14.599 4.309 980 HD11 LEU 124 1HD1 LEU 124 3.340 14.973 3.022 981 HD12 LEU 124 2HD1 LEU 124 2.247 13.611 2.782 982 HD13 LEU 124 3HD1 LEU 124 2.978 13.886 4.363 983 HD21 LEU 124 3HD2 LEU 124 2.258 15.732 5.772 984 HD22 LEU 124 1HD2 LEU 124 0.985 16.829 5.239 985 HD23 LEU 124 2HD2 LEU 124 2.586 16.910 4.503 986 H ASP 125 H ASP 125 -1.379 19.104 2.517 987 HA ASP 125 HA ASP 125 -2.628 18.539 -0.031 988 HB2 ASP 125 2HB ASP 125 -3.815 19.839 1.703 989 HB3 ASP 125 1HB ASP 125 -2.586 21.086 1.617 990 H ARG 126 H ARG 126 0.385 18.895 0.394 991 HA ARG 126 HA ARG 126 1.183 21.087 -1.238 992 HB2 ARG 126 2HB ARG 126 2.533 18.766 -0.077 993 HB3 ARG 126 1HB ARG 126 3.216 19.292 -1.606 994 HG2 ARG 126 2HG ARG 126 4.351 20.285 0.320 995 HG3 ARG 126 1HG ARG 126 3.622 21.492 -0.718 996 HD2 ARG 126 2HD ARG 126 1.776 21.751 0.842 997 HD3 ARG 126 1HD ARG 126 2.433 20.485 1.875 998 HE ARG 126 HE ARG 126 4.472 22.258 1.577 999 HH11 ARG 126 1HH1 ARG 126 1.134 22.608 2.789 1000 HH12 ARG 126 2HH1 ARG 126 1.557 23.865 3.848 1001 HH21 ARG 126 1HH2 ARG 126 4.990 23.958 3.054 1002 HH22 ARG 126 2HH2 ARG 126 3.767 24.640 4.015 1003 H LEU 127 H LEU 127 0.033 17.922 -2.020 1004 HA LEU 127 HA LEU 127 0.244 18.704 -4.760 1005 HB2 LEU 127 2HB LEU 127 0.754 16.400 -5.492 1006 HB3 LEU 127 1HB LEU 127 2.046 17.181 -4.627 1007 HG LEU 127 HG LEU 127 0.225 15.110 -3.371 1008 HD11 LEU 127 1HD1 LEU 127 2.974 14.824 -4.597 1009 HD12 LEU 127 2HD1 LEU 127 1.470 14.246 -5.309 1010 HD13 LEU 127 3HD1 LEU 127 2.048 13.545 -3.792 1011 HD21 LEU 127 3HD2 LEU 127 1.438 16.671 -1.896 1012 HD22 LEU 127 1HD2 LEU 127 2.940 16.152 -2.665 1013 HD23 LEU 127 2HD2 LEU 127 2.002 14.987 -1.712 1014 H GLN 128 H GLN 128 -1.306 17.748 -6.156 1015 HA GLN 128 HA GLN 128 -3.812 17.434 -4.764 1016 HB2 GLN 128 2HB GLN 128 -3.605 19.223 -6.351 1017 HB3 GLN 128 1HB GLN 128 -3.040 18.114 -7.591 1018 HG2 GLN 128 2HG GLN 128 -5.120 17.037 -7.619 1019 HG3 GLN 128 1HG GLN 128 -5.734 18.076 -6.317 1020 HE21 GLN 128 1HE2 GLN 128 -4.876 17.912 -9.717 1021 HE22 GLN 128 2HE2 GLN 128 -5.564 19.417 -10.163 1022 H TRP 129 H TRP 129 -4.906 15.569 -4.786 1023 HA TRP 129 HA TRP 129 -3.737 13.164 -5.397 1024 HB2 TRP 129 2HB TRP 129 -5.598 13.237 -3.855 1025 HB3 TRP 129 1HB TRP 129 -6.695 13.737 -5.142 1026 HD1 TRP 129 HD TRP 129 -7.793 11.860 -6.576 1027 HE1 TRP 129 1HE TRP 129 -7.592 9.318 -6.689 1028 HE3 TRP 129 3HE TRP 129 -3.821 11.260 -3.433 1029 HZ2 TRP 129 2HZ TRP 129 -5.938 7.278 -5.550 1030 HZ3 TRP 129 3HZ TRP 129 -3.001 9.007 -3.002 1031 HH2 TRP 129 HH TRP 129 -4.059 7.037 -4.054 1032 H GLU 130 H GLU 130 -5.971 14.945 -7.455 1033 HA GLU 130 HA GLU 130 -6.312 13.047 -9.441 1034 HB2 GLU 130 2HB GLU 130 -6.116 16.035 -9.874 1035 HB3 GLU 130 1HB GLU 130 -6.802 14.880 -11.001 1036 HG2 GLU 130 2HG GLU 130 -8.633 15.926 -9.962 1037 HG3 GLU 130 1HG GLU 130 -8.508 14.347 -9.201 1038 H ASN 131 H ASN 131 -3.634 15.224 -8.930 1039 HA ASN 131 HA ASN 131 -2.389 14.581 -11.453 1040 HB2 ASN 131 2HB ASN 131 -1.184 15.983 -9.048 1041 HB3 ASN 131 1HB ASN 131 -0.503 15.938 -10.666 1042 HD21 ASN 131 1HD2 ASN 131 -1.186 18.236 -9.100 1043 HD22 ASN 131 2HD2 ASN 131 -2.347 19.127 -10.000 1044 H VAL 132 H VAL 132 -2.335 13.502 -8.192 1045 HA VAL 132 HA VAL 132 -0.023 11.875 -8.322 1046 HB VAL 132 HB VAL 132 -2.498 11.569 -6.588 1047 HG11 VAL 132 1HG1 VAL 132 -1.221 9.514 -6.669 1048 HG12 VAL 132 2HG1 VAL 132 -1.053 10.271 -5.083 1049 HG13 VAL 132 3HG1 VAL 132 0.255 10.390 -6.266 1050 HG21 VAL 132 3HG2 VAL 132 -1.186 12.694 -4.860 1051 HG22 VAL 132 1HG2 VAL 132 -1.422 13.726 -6.272 1052 HG23 VAL 132 2HG2 VAL 132 0.126 12.916 -6.017 1053 H SER 133 H SER 133 -3.508 11.193 -8.694 1054 HA SER 133 HA SER 133 -3.457 8.519 -9.243 1055 HB2 SER 133 2HB SER 133 -5.515 9.761 -8.853 1056 HB3 SER 133 1HB SER 133 -5.302 10.666 -10.343 1057 HG SER 133 HG SER 133 -5.457 8.549 -11.446 1058 H ALA 134 H ALA 134 -3.314 11.204 -11.590 1059 HA ALA 134 HA ALA 134 -3.150 9.685 -13.898 1060 HB1 ALA 134 1HB ALA 134 -3.489 12.120 -13.892 1061 HB2 ALA 134 2HB ALA 134 -2.166 11.653 -14.964 1062 HB3 ALA 134 3HB ALA 134 -1.817 12.343 -13.378 1063 H MET 135 H MET 135 -0.489 10.940 -11.966 1064 HA MET 135 HA MET 135 1.618 9.799 -13.404 1065 HB2 MET 135 2HB MET 135 1.942 11.574 -11.773 1066 HB3 MET 135 1HB MET 135 1.474 10.482 -10.480 1067 HG2 MET 135 2HG MET 135 3.418 9.111 -10.896 1068 HG3 MET 135 1HG MET 135 3.895 10.153 -12.242 1069 HE1 MET 135 3HE MET 135 3.852 11.397 -7.811 1070 HE2 MET 135 1HE MET 135 3.455 9.779 -8.383 1071 HE3 MET 135 2HE MET 135 2.370 11.135 -8.722 1072 H ILE 136 H ILE 136 -0.265 8.505 -10.696 1073 HA ILE 136 HA ILE 136 1.199 6.125 -10.312 1074 HB ILE 136 HB ILE 136 -1.749 6.712 -9.899 1075 HG12 ILE 136 2HG1 ILE 136 0.545 6.570 -7.932 1076 HG13 ILE 136 1HG1 ILE 136 -0.241 8.035 -8.502 1077 HG21 ILE 136 1HG2 ILE 136 -1.846 4.713 -8.486 1078 HG22 ILE 136 2HG2 ILE 136 -0.198 4.306 -8.964 1079 HG23 ILE 136 3HG2 ILE 136 -1.485 4.328 -10.169 1080 HD11 ILE 136 3HD1 ILE 136 -1.547 5.858 -6.883 1081 HD12 ILE 136 1HD1 ILE 136 -2.320 7.343 -7.448 1082 HD13 ILE 136 2HD1 ILE 136 -1.000 7.424 -6.277 1083 H GLU 137 H GLU 137 -1.539 6.928 -12.331 1084 HA GLU 137 HA GLU 137 -1.846 4.444 -13.572 1085 HB2 GLU 137 2HB GLU 137 -2.590 7.224 -14.493 1086 HB3 GLU 137 1HB GLU 137 -3.141 5.747 -15.270 1087 HG2 GLU 137 2HG GLU 137 -4.291 5.076 -13.235 1088 HG3 GLU 137 1HG GLU 137 -3.693 6.511 -12.408 1089 H GLU 138 H GLU 138 0.300 7.117 -14.200 1090 HA GLU 138 HA GLU 138 1.177 6.199 -16.764 1091 HB2 GLU 138 2HB GLU 138 2.569 8.092 -14.871 1092 HB3 GLU 138 1HB GLU 138 3.012 7.814 -16.545 1093 HG2 GLU 138 2HG GLU 138 0.668 8.635 -17.141 1094 HG3 GLU 138 1HG GLU 138 0.568 9.144 -15.448 1095 H VAL 139 H VAL 139 2.282 5.669 -13.499 1096 HA VAL 139 HA VAL 139 4.623 4.253 -14.314 1097 HB VAL 139 HB VAL 139 3.171 4.304 -11.638 1098 HG11 VAL 139 1HG1 VAL 139 4.386 2.199 -11.891 1099 HG12 VAL 139 2HG1 VAL 139 5.175 3.223 -10.690 1100 HG13 VAL 139 3HG1 VAL 139 5.847 3.073 -12.309 1101 HG21 VAL 139 3HG2 VAL 139 5.096 5.701 -10.906 1102 HG22 VAL 139 1HG2 VAL 139 4.224 6.447 -12.241 1103 HG23 VAL 139 2HG2 VAL 139 5.763 5.636 -12.516 1104 H PHE 140 H PHE 140 1.409 3.331 -13.279 1105 HA PHE 140 HA PHE 140 1.964 0.563 -13.557 1106 HB2 PHE 140 2HB PHE 140 -0.431 2.062 -12.710 1107 HB3 PHE 140 1HB PHE 140 -0.611 0.387 -13.221 1108 HD1 PHE 140 2HD PHE 140 0.492 -1.390 -12.045 1109 HD2 PHE 140 1HD PHE 140 0.690 2.609 -10.627 1110 HE1 PHE 140 2HE PHE 140 1.183 -2.206 -9.868 1111 HE2 PHE 140 1HE PHE 140 1.403 1.753 -8.414 1112 HZ PHE 140 HZ PHE 140 1.622 -0.749 -8.107 1113 H GLU 141 H GLU 141 1.032 2.807 -15.907 1114 HA GLU 141 HA GLU 141 -0.727 1.284 -17.437 1115 HB2 GLU 141 2HB GLU 141 -0.045 2.620 -19.347 1116 HB3 GLU 141 1HB GLU 141 -0.371 3.613 -17.923 1117 HG2 GLU 141 2HG GLU 141 2.027 3.796 -17.557 1118 HG3 GLU 141 1HG GLU 141 2.315 2.820 -18.996 1119 H ALA 142 H ALA 142 2.611 0.927 -17.047 1120 HA ALA 142 HA ALA 142 2.973 -0.775 -19.372 1121 HB1 ALA 142 1HB ALA 142 5.277 -1.016 -18.618 1122 HB2 ALA 142 2HB ALA 142 4.878 -0.225 -17.095 1123 HB3 ALA 142 3HB ALA 142 4.795 0.680 -18.606 1124 H THR 143 H THR 143 1.332 -1.390 -16.662 1125 HA THR 143 HA THR 143 2.084 -4.233 -16.657 1126 HB THR 143 HB THR 143 1.783 -4.348 -14.201 1127 HG1 THR 143 1HG THR 143 1.230 -1.632 -14.576 1128 HG21 THR 143 3HG2 THR 143 3.869 -2.312 -15.016 1129 HG22 THR 143 1HG2 THR 143 4.071 -4.061 -15.064 1130 HG23 THR 143 2HG2 THR 143 3.872 -3.244 -13.514 1131 H ASP 144 H ASP 144 0.313 -5.475 -15.302 1132 HA ASP 144 HA ASP 144 -2.341 -4.591 -16.236 1133 HB2 ASP 144 2HB ASP 144 -1.388 -7.257 -15.191 1134 HB3 ASP 144 1HB ASP 144 -3.053 -6.901 -15.610 1135 H ILE 145 H ILE 145 -0.643 -3.959 -13.606 1136 HA ILE 145 HA ILE 145 -2.278 -5.160 -11.619 1137 HB ILE 145 HB ILE 145 -0.246 -2.917 -11.046 1138 HG12 ILE 145 2HG1 ILE 145 0.178 -5.913 -11.030 1139 HG13 ILE 145 1HG1 ILE 145 0.661 -4.902 -12.378 1140 HG21 ILE 145 1HG2 ILE 145 -1.411 -5.045 -9.323 1141 HG22 ILE 145 2HG2 ILE 145 -1.819 -3.332 -9.292 1142 HG23 ILE 145 3HG2 ILE 145 -0.189 -3.858 -8.880 1143 HD11 ILE 145 3HD1 ILE 145 1.598 -4.600 -9.563 1144 HD12 ILE 145 1HD1 ILE 145 2.172 -3.687 -10.954 1145 HD13 ILE 145 2HD1 ILE 145 2.491 -5.425 -10.848 1146 H LYS 146 H LYS 146 -4.012 -4.532 -10.771 1147 HA LYS 146 HA LYS 146 -5.399 -2.142 -11.568 1148 HB2 LYS 146 2HB LYS 146 -6.465 -4.307 -11.727 1149 HB3 LYS 146 1HB LYS 146 -5.994 -4.608 -10.056 1150 HG2 LYS 146 2HG LYS 146 -7.581 -3.107 -9.214 1151 HG3 LYS 146 1HG LYS 146 -7.886 -2.459 -10.839 1152 HD2 LYS 146 2HD LYS 146 -8.959 -4.358 -11.545 1153 HD3 LYS 146 1HD LYS 146 -8.274 -5.349 -10.255 1154 HE2 LYS 146 2HE LYS 146 -10.309 -3.159 -9.871 1155 HE3 LYS 146 1HE LYS 146 -10.691 -4.880 -9.968 1156 HZ1 LYS 146 3HZ LYS 146 -9.194 -3.458 -7.837 1157 HZ2 LYS 146 1HZ LYS 146 -9.082 -5.141 -8.042 1158 HZ3 LYS 146 2HZ LYS 146 -10.556 -4.379 -7.685 1159 H ILE 147 H ILE 147 -6.203 -0.662 -10.041 1160 HA ILE 147 HA ILE 147 -5.040 -0.881 -7.376 1161 HB ILE 147 HB ILE 147 -5.130 1.578 -9.136 1162 HG12 ILE 147 2HG1 ILE 147 -2.793 0.018 -8.033 1163 HG13 ILE 147 1HG1 ILE 147 -3.428 -0.168 -9.658 1164 HG21 ILE 147 1HG2 ILE 147 -5.534 2.134 -6.759 1165 HG22 ILE 147 2HG2 ILE 147 -3.940 2.691 -7.274 1166 HG23 ILE 147 3HG2 ILE 147 -4.090 1.225 -6.305 1167 HD11 ILE 147 3HD1 ILE 147 -1.461 1.180 -9.553 1168 HD12 ILE 147 1HD1 ILE 147 -2.293 2.326 -8.492 1169 HD13 ILE 147 2HD1 ILE 147 -2.857 2.095 -10.162 1170 H THR 148 H THR 148 -6.445 -0.701 -5.867 1171 HA THR 148 HA THR 148 -9.051 0.487 -6.465 1172 HB THR 148 HB THR 148 -8.397 -1.796 -4.588 1173 HG1 THR 148 1HG THR 148 -8.265 -1.757 -7.048 1174 HG21 THR 148 3HG2 THR 148 -11.026 -0.776 -5.710 1175 HG22 THR 148 1HG2 THR 148 -10.469 -0.530 -4.056 1176 HG23 THR 148 2HG2 THR 148 -10.830 -2.155 -4.627 1177 H VAL 149 H VAL 149 -9.243 2.345 -5.385 1178 HA VAL 149 HA VAL 149 -7.697 2.708 -2.950 1179 HB VAL 149 HB VAL 149 -8.919 4.745 -4.845 1180 HG11 VAL 149 1HG1 VAL 149 -9.102 5.562 -2.530 1181 HG12 VAL 149 2HG1 VAL 149 -7.886 6.465 -3.437 1182 HG13 VAL 149 3HG1 VAL 149 -7.385 5.229 -2.276 1183 HG21 VAL 149 3HG2 VAL 149 -6.856 3.658 -5.583 1184 HG22 VAL 149 1HG2 VAL 149 -6.062 4.157 -4.094 1185 HG23 VAL 149 2HG2 VAL 149 -6.616 5.374 -5.255 1186 H TYR 150 H TYR 150 -8.677 2.568 -1.149 1187 HA TYR 150 HA TYR 150 -11.578 2.675 -1.095 1188 HB2 TYR 150 2HB TYR 150 -9.605 1.803 1.026 1189 HB3 TYR 150 1HB TYR 150 -11.346 1.824 1.246 1190 HD1 TYR 150 1HD TYR 150 -8.643 0.278 -0.780 1191 HD2 TYR 150 2HD TYR 150 -12.660 -0.029 0.566 1192 HE1 TYR 150 1HE TYR 150 -8.768 -2.014 -1.658 1193 HE2 TYR 150 2HE TYR 150 -12.778 -2.324 -0.321 1194 HH TYR 150 HH TYR 150 -9.939 -3.984 -1.368 1195 H THR 151 H THR 151 -12.518 4.438 -0.654 1196 HA THR 151 HA THR 151 -11.032 6.628 0.510 1197 HB THR 151 HB THR 151 -12.980 7.993 -0.212 1198 HG1 THR 151 1HG THR 151 -14.304 5.950 -0.056 1199 HG21 THR 151 3HG2 THR 151 -11.093 7.650 -1.739 1200 HG22 THR 151 1HG2 THR 151 -12.611 7.736 -2.633 1201 HG23 THR 151 2HG2 THR 151 -11.839 6.174 -2.343 1202 H LEU 152 H LEU 152 -11.332 7.283 2.513 1203 HA LEU 152 HA LEU 152 -13.755 6.621 3.936 1204 HB2 LEU 152 2HB LEU 152 -12.131 4.842 4.466 1205 HB3 LEU 152 1HB LEU 152 -10.942 6.049 4.899 1206 HG LEU 152 HG LEU 152 -12.306 6.712 6.831 1207 HD11 LEU 152 1HD1 LEU 152 -14.251 5.388 7.480 1208 HD12 LEU 152 2HD1 LEU 152 -14.142 4.480 5.969 1209 HD13 LEU 152 3HD1 LEU 152 -14.512 6.203 5.939 1210 HD21 LEU 152 3HD2 LEU 152 -10.607 4.985 7.082 1211 HD22 LEU 152 1HD2 LEU 152 -11.785 3.748 6.651 1212 HD23 LEU 152 2HD2 LEU 152 -11.981 4.667 8.141 Start of MODEL 7 1 H GLU 1 H GLU 1 -21.778 -3.755 9.044 2 HA GLU 1 HA GLU 1 -21.934 -6.315 10.376 3 HB2 GLU 1 2HB GLU 1 -24.410 -5.727 10.542 4 HB3 GLU 1 1HB GLU 1 -23.283 -4.731 11.447 5 HG2 GLU 1 2HG GLU 1 -23.330 -3.166 9.471 6 HG3 GLU 1 1HG GLU 1 -24.748 -4.076 8.929 7 H ALA 2 H ALA 2 -21.812 -5.196 7.384 8 HA ALA 2 HA ALA 2 -22.652 -7.779 6.361 9 HB1 ALA 2 1HB ALA 2 -24.385 -6.158 5.669 10 HB2 ALA 2 2HB ALA 2 -23.441 -6.694 4.275 11 HB3 ALA 2 3HB ALA 2 -23.132 -5.115 4.996 12 H SER 3 H SER 3 -20.624 -8.550 6.213 13 HA SER 3 HA SER 3 -18.506 -6.797 5.377 14 HB2 SER 3 2HB SER 3 -18.200 -8.369 7.285 15 HB3 SER 3 1HB SER 3 -18.377 -9.715 6.158 16 HG SER 3 HG SER 3 -16.424 -9.438 5.516 17 H SER 4 H SER 4 -18.834 -6.385 3.278 18 HA SER 4 HA SER 4 -18.198 -8.536 1.455 19 HB2 SER 4 2HB SER 4 -20.656 -8.442 1.461 20 HB3 SER 4 1HB SER 4 -20.599 -6.711 1.144 21 HG SER 4 HG SER 4 -20.070 -7.047 -0.846 22 H LEU 5 H LEU 5 -16.218 -7.640 1.001 23 HA LEU 5 HA LEU 5 -16.315 -5.006 -0.254 24 HB2 LEU 5 2HB LEU 5 -14.042 -6.177 1.357 25 HB3 LEU 5 1HB LEU 5 -13.932 -4.703 0.422 26 HG LEU 5 HG LEU 5 -15.700 -5.139 2.837 27 HD11 LEU 5 1HD1 LEU 5 -13.221 -3.477 2.470 28 HD12 LEU 5 2HD1 LEU 5 -13.343 -4.972 3.396 29 HD13 LEU 5 3HD1 LEU 5 -14.224 -3.539 3.921 30 HD21 LEU 5 3HD2 LEU 5 -16.155 -2.730 2.674 31 HD22 LEU 5 1HD2 LEU 5 -16.748 -3.595 1.257 32 HD23 LEU 5 2HD2 LEU 5 -15.252 -2.665 1.163 33 H ASN 6 H ASN 6 -16.446 -5.488 -2.274 34 HA ASN 6 HA ASN 6 -14.215 -6.792 -3.539 35 HB2 ASN 6 2HB ASN 6 -15.737 -8.122 -5.031 36 HB3 ASN 6 1HB ASN 6 -15.792 -8.653 -3.361 37 HD21 ASN 6 1HD2 ASN 6 -17.536 -7.164 -5.951 38 HD22 ASN 6 2HD2 ASN 6 -19.082 -7.173 -5.216 39 H GLU 7 H GLU 7 -14.124 -6.183 -5.816 40 HA GLU 7 HA GLU 7 -15.603 -3.696 -6.275 41 HB2 GLU 7 2HB GLU 7 -13.347 -3.166 -5.571 42 HB3 GLU 7 1HB GLU 7 -12.682 -4.265 -6.766 43 HG2 GLU 7 2HG GLU 7 -13.644 -2.824 -8.542 44 HG3 GLU 7 1HG GLU 7 -14.149 -1.693 -7.287 45 H ASP 8 H ASP 8 -16.374 -3.417 -8.275 46 HA ASP 8 HA ASP 8 -15.634 -5.348 -10.344 47 HB2 ASP 8 2HB ASP 8 -17.759 -4.810 -11.461 48 HB3 ASP 8 1HB ASP 8 -18.097 -5.246 -9.799 49 HA PRO 9 HA PRO 9 -13.284 -2.117 -12.259 50 HB2 PRO 9 2HB PRO 9 -14.537 -2.945 -14.786 51 HB3 PRO 9 1HB PRO 9 -12.829 -2.738 -14.385 52 HG2 PRO 9 2HG PRO 9 -13.820 -5.205 -14.573 53 HG3 PRO 9 1HG PRO 9 -12.684 -4.761 -13.275 54 HD2 PRO 9 2HD PRO 9 -15.659 -5.114 -13.135 55 HD3 PRO 9 1HD PRO 9 -14.402 -5.594 -11.970 56 H GLU 10 H GLU 10 -13.647 -0.116 -12.631 57 HA GLU 10 HA GLU 10 -16.028 0.868 -13.833 58 HB2 GLU 10 2HB GLU 10 -16.854 0.235 -11.599 59 HB3 GLU 10 1HB GLU 10 -15.657 1.291 -10.871 60 HG2 GLU 10 2HG GLU 10 -16.707 3.217 -11.923 61 HG3 GLU 10 1HG GLU 10 -17.903 2.158 -12.673 62 H GLY 11 H GLY 11 -14.841 2.077 -15.067 63 HA2 GLY 11 2HA GLY 11 -14.314 4.402 -15.344 64 HA3 GLY 11 1HA GLY 11 -13.590 4.351 -13.742 65 H SER 12 H SER 12 -11.534 3.899 -13.527 66 HA SER 12 HA SER 12 -10.011 3.226 -15.925 67 HB2 SER 12 2HB SER 12 -10.120 5.682 -15.637 68 HB3 SER 12 1HB SER 12 -9.541 5.515 -13.987 69 HG SER 12 HG SER 12 -7.681 5.536 -14.677 70 H ARG 13 H ARG 13 -7.537 3.531 -14.614 71 HA ARG 13 HA ARG 13 -7.099 1.110 -13.299 72 HB2 ARG 13 2HB ARG 13 -5.551 3.680 -13.330 73 HB3 ARG 13 1HB ARG 13 -4.966 2.274 -12.449 74 HG2 ARG 13 2HG ARG 13 -5.642 2.198 -15.372 75 HG3 ARG 13 1HG ARG 13 -4.049 2.675 -14.783 76 HD2 ARG 13 2HD ARG 13 -3.668 0.604 -13.801 77 HD3 ARG 13 1HD ARG 13 -5.301 0.021 -13.971 78 HE ARG 13 HE ARG 13 -4.521 0.536 -16.512 79 HH11 ARG 13 1HH1 ARG 13 -3.030 -1.438 -13.924 80 HH12 ARG 13 2HH1 ARG 13 -2.247 -2.457 -15.053 81 HH21 ARG 13 1HH2 ARG 13 -3.422 -0.946 -17.962 82 HH22 ARG 13 2HH2 ARG 13 -2.466 -2.201 -17.340 83 H ILE 14 H ILE 14 -7.538 4.364 -11.916 84 HA ILE 14 HA ILE 14 -7.717 3.162 -9.270 85 HB ILE 14 HB ILE 14 -7.658 6.048 -10.135 86 HG12 ILE 14 2HG1 ILE 14 -5.665 4.384 -8.602 87 HG13 ILE 14 1HG1 ILE 14 -5.491 4.870 -10.285 88 HG21 ILE 14 1HG2 ILE 14 -9.060 5.883 -8.169 89 HG22 ILE 14 2HG2 ILE 14 -7.526 6.644 -7.741 90 HG23 ILE 14 3HG2 ILE 14 -7.819 4.955 -7.331 91 HD11 ILE 14 3HD1 ILE 14 -5.510 6.693 -7.874 92 HD12 ILE 14 1HD1 ILE 14 -5.343 7.218 -9.537 93 HD13 ILE 14 2HD1 ILE 14 -4.098 6.214 -8.809 94 H THR 15 H THR 15 -9.432 2.897 -8.184 95 HA THR 15 HA THR 15 -11.953 4.165 -8.957 96 HB THR 15 HB THR 15 -11.541 1.287 -8.070 97 HG1 THR 15 1HG THR 15 -12.345 2.372 -10.572 98 HG21 THR 15 3HG2 THR 15 -13.621 2.149 -7.192 99 HG22 THR 15 1HG2 THR 15 -13.959 1.010 -8.487 100 HG23 THR 15 2HG2 THR 15 -14.106 2.747 -8.789 101 H TYR 16 H TYR 16 -13.036 4.978 -7.167 102 HA TYR 16 HA TYR 16 -11.581 4.704 -4.650 103 HB2 TYR 16 2HB TYR 16 -13.634 6.779 -5.453 104 HB3 TYR 16 1HB TYR 16 -12.743 6.747 -3.935 105 HD1 TYR 16 2HD TYR 16 -10.174 6.885 -4.088 106 HD2 TYR 16 1HD TYR 16 -12.769 7.904 -7.291 107 HE1 TYR 16 2HE TYR 16 -8.365 8.183 -5.133 108 HE2 TYR 16 1HE TYR 16 -10.964 9.200 -8.349 109 HH TYR 16 HH TYR 16 -7.762 8.948 -7.556 110 H VAL 17 H VAL 17 -12.354 3.480 -3.172 111 HA VAL 17 HA VAL 17 -15.238 2.851 -3.144 112 HB VAL 17 HB VAL 17 -12.949 1.073 -2.217 113 HG11 VAL 17 1HG1 VAL 17 -14.627 -0.687 -2.010 114 HG12 VAL 17 2HG1 VAL 17 -15.891 0.454 -2.461 115 HG13 VAL 17 3HG1 VAL 17 -14.994 0.678 -0.958 116 HG21 VAL 17 3HG2 VAL 17 -13.473 -0.353 -4.140 117 HG22 VAL 17 1HG2 VAL 17 -12.946 1.253 -4.639 118 HG23 VAL 17 2HG2 VAL 17 -14.660 0.829 -4.692 119 H LYS 18 H LYS 18 -16.269 3.081 -1.159 120 HA LYS 18 HA LYS 18 -14.567 4.021 0.997 121 HB2 LYS 18 2HB LYS 18 -16.575 5.264 1.778 122 HB3 LYS 18 1HB LYS 18 -15.924 5.842 0.252 123 HG2 LYS 18 2HG LYS 18 -17.711 4.588 -0.918 124 HG3 LYS 18 1HG LYS 18 -18.372 4.123 0.651 125 HD2 LYS 18 2HD LYS 18 -18.674 6.502 1.194 126 HD3 LYS 18 1HD LYS 18 -18.052 6.933 -0.398 127 HE2 LYS 18 2HE LYS 18 -19.892 5.681 -1.444 128 HE3 LYS 18 1HE LYS 18 -20.503 5.281 0.161 129 HZ1 LYS 18 3HZ LYS 18 -20.833 7.659 0.564 130 HZ2 LYS 18 1HZ LYS 18 -21.708 7.105 -0.743 131 HZ3 LYS 18 2HZ LYS 18 -20.308 8.000 -1.007 132 H GLY 19 H GLY 19 -14.382 2.669 2.623 133 HA2 GLY 19 2HA GLY 19 -16.582 1.413 3.857 134 HA3 GLY 19 1HA GLY 19 -15.744 0.258 2.826 135 H ASP 20 H ASP 20 -13.720 -0.498 3.407 136 HA ASP 20 HA ASP 20 -12.399 0.527 5.762 137 HB2 ASP 20 2HB ASP 20 -14.120 -1.167 6.612 138 HB3 ASP 20 1HB ASP 20 -13.342 -2.354 5.582 139 H LEU 21 H LEU 21 -10.273 -0.844 5.973 140 HA LEU 21 HA LEU 21 -9.501 -1.767 3.293 141 HB2 LEU 21 2HB LEU 21 -8.757 0.504 3.708 142 HB3 LEU 21 1HB LEU 21 -7.859 -0.037 5.104 143 HG LEU 21 HG LEU 21 -6.238 -1.175 3.760 144 HD11 LEU 21 1HD1 LEU 21 -6.479 -1.381 1.327 145 HD12 LEU 21 2HD1 LEU 21 -8.065 -0.615 1.406 146 HD13 LEU 21 3HD1 LEU 21 -7.807 -2.202 2.140 147 HD21 LEU 21 3HD2 LEU 21 -7.116 1.304 2.417 148 HD22 LEU 21 1HD2 LEU 21 -5.493 0.624 2.271 149 HD23 LEU 21 2HD2 LEU 21 -6.050 1.232 3.837 150 H PHE 22 H PHE 22 -9.899 -2.695 6.382 151 HA PHE 22 HA PHE 22 -7.667 -4.585 6.322 152 HB2 PHE 22 2HB PHE 22 -9.330 -3.551 8.604 153 HB3 PHE 22 1HB PHE 22 -8.436 -5.057 8.745 154 HD1 PHE 22 2HD PHE 22 -8.108 -1.370 8.379 155 HD2 PHE 22 1HD PHE 22 -6.078 -5.078 8.977 156 HE1 PHE 22 2HE PHE 22 -6.067 -0.181 9.007 157 HE2 PHE 22 1HE PHE 22 -4.051 -3.854 9.602 158 HZ PHE 22 HZ PHE 22 -4.049 -1.419 9.617 159 H ALA 23 H ALA 23 -11.094 -4.317 6.118 160 HA ALA 23 HA ALA 23 -11.457 -7.179 6.463 161 HB1 ALA 23 1HB ALA 23 -13.166 -5.625 7.284 162 HB2 ALA 23 2HB ALA 23 -13.827 -6.726 6.077 163 HB3 ALA 23 3HB ALA 23 -13.447 -5.060 5.638 164 H CYS 24 H CYS 24 -10.196 -5.475 4.076 165 HA CYS 24 HA CYS 24 -11.560 -6.444 1.774 166 HB2 CYS 24 2HB CYS 24 -8.801 -5.272 2.104 167 HB3 CYS 24 1HB CYS 24 -9.601 -5.530 0.548 168 HG CYS 24 HG CYS 24 -10.882 -3.394 0.512 169 HA PRO 25 HA PRO 25 -9.677 -10.452 1.400 170 HB2 PRO 25 2HB PRO 25 -9.555 -10.272 -1.509 171 HB3 PRO 25 1HB PRO 25 -10.631 -11.236 -0.493 172 HG2 PRO 25 2HG PRO 25 -11.499 -9.134 -1.936 173 HG3 PRO 25 1HG PRO 25 -12.226 -9.597 -0.385 174 HD2 PRO 25 2HD PRO 25 -10.235 -7.437 -0.980 175 HD3 PRO 25 1HD PRO 25 -11.688 -7.378 0.044 176 H LYS 26 H LYS 26 -7.889 -11.692 0.595 177 HA LYS 26 HA LYS 26 -5.432 -10.256 0.750 178 HB2 LYS 26 2HB LYS 26 -4.311 -12.420 0.766 179 HB3 LYS 26 1HB LYS 26 -5.638 -12.372 1.901 180 HG2 LYS 26 2HG LYS 26 -5.663 -14.534 0.926 181 HG3 LYS 26 1HG LYS 26 -7.006 -13.660 0.212 182 HD2 LYS 26 2HD LYS 26 -5.856 -14.934 -1.533 183 HD3 LYS 26 1HD LYS 26 -5.616 -13.195 -1.768 184 HE2 LYS 26 2HE LYS 26 -3.395 -13.337 -0.765 185 HE3 LYS 26 1HE LYS 26 -3.617 -15.052 -0.456 186 HZ1 LYS 26 3HZ LYS 26 -3.665 -15.415 -2.888 187 HZ2 LYS 26 1HZ LYS 26 -2.270 -14.616 -2.420 188 HZ3 LYS 26 2HZ LYS 26 -3.502 -13.760 -3.131 189 H THR 27 H THR 27 -7.349 -10.934 -1.821 190 HA THR 27 HA THR 27 -5.459 -11.675 -3.816 191 HB THR 27 HB THR 27 -7.357 -10.936 -5.306 192 HG1 THR 27 1HG THR 27 -8.321 -9.409 -3.737 193 HG21 THR 27 3HG2 THR 27 -8.803 -12.835 -4.645 194 HG22 THR 27 1HG2 THR 27 -7.971 -12.915 -3.095 195 HG23 THR 27 2HG2 THR 27 -7.100 -13.284 -4.583 196 H ASP 28 H ASP 28 -6.327 -8.818 -2.298 197 HA ASP 28 HA ASP 28 -5.099 -7.140 -4.370 198 HB2 ASP 28 2HB ASP 28 -6.948 -6.389 -2.077 199 HB3 ASP 28 1HB ASP 28 -6.342 -5.310 -3.329 200 H SER 29 H SER 29 -3.066 -6.553 -3.787 201 HA SER 29 HA SER 29 -2.319 -7.019 -1.049 202 HB2 SER 29 2HB SER 29 -0.668 -5.951 -3.371 203 HB3 SER 29 1HB SER 29 -0.042 -6.347 -1.768 204 HG SER 29 HG SER 29 -1.529 -8.267 -3.119 205 H LEU 30 H LEU 30 -0.973 -5.074 0.031 206 HA LEU 30 HA LEU 30 -2.837 -2.808 -0.311 207 HB2 LEU 30 2HB LEU 30 -2.777 -4.538 1.826 208 HB3 LEU 30 1HB LEU 30 -1.613 -3.351 2.304 209 HG LEU 30 HG LEU 30 -4.468 -2.729 1.611 210 HD11 LEU 30 1HD1 LEU 30 -4.380 -4.114 3.539 211 HD12 LEU 30 2HD1 LEU 30 -4.743 -2.463 4.038 212 HD13 LEU 30 3HD1 LEU 30 -3.111 -3.122 4.248 213 HD21 LEU 30 3HD2 LEU 30 -2.300 -1.063 2.883 214 HD22 LEU 30 1HD2 LEU 30 -3.994 -0.597 2.741 215 HD23 LEU 30 2HD2 LEU 30 -3.023 -0.825 1.288 216 H ALA 31 H ALA 31 -1.874 -0.842 -0.216 217 HA ALA 31 HA ALA 31 1.023 -0.772 0.228 218 HB1 ALA 31 1HB ALA 31 -0.396 0.501 -2.124 219 HB2 ALA 31 2HB ALA 31 0.632 -0.932 -2.177 220 HB3 ALA 31 3HB ALA 31 1.327 0.632 -1.759 221 H HIS 32 H HIS 32 1.871 1.375 0.725 222 HA HIS 32 HA HIS 32 -0.070 3.400 1.611 223 HB2 HIS 32 2HB HIS 32 2.018 2.348 3.521 224 HB3 HIS 32 1HB HIS 32 0.674 3.437 3.837 225 HD1 HIS 32 1HD HIS 32 1.682 -0.071 3.869 226 HD2 HIS 32 2HD HIS 32 -1.888 2.048 3.985 227 HE1 HIS 32 1HE HIS 32 -0.027 -1.660 4.756 228 HE2 HIS 32 2HE HIS 32 -2.182 -0.379 4.721 229 H CYS 33 H CYS 33 1.260 5.330 2.438 230 HA CYS 33 HA CYS 33 3.946 5.308 1.290 231 HB2 CYS 33 2HB CYS 33 3.666 7.781 1.118 232 HB3 CYS 33 1HB CYS 33 2.508 6.899 0.132 233 HG CYS 33 HG CYS 33 1.063 8.990 1.090 234 H ILE 34 H ILE 34 5.628 5.789 2.677 235 HA ILE 34 HA ILE 34 5.036 6.890 5.278 236 HB ILE 34 HB ILE 34 6.258 5.128 6.532 237 HG12 ILE 34 2HG1 ILE 34 6.412 3.611 3.931 238 HG13 ILE 34 1HG1 ILE 34 7.737 4.548 4.618 239 HG21 ILE 34 1HG2 ILE 34 3.907 4.867 6.386 240 HG22 ILE 34 2HG2 ILE 34 4.735 3.315 6.426 241 HG23 ILE 34 3HG2 ILE 34 4.083 3.931 4.900 242 HD11 ILE 34 3HD1 ILE 34 6.399 2.208 5.938 243 HD12 ILE 34 1HD1 ILE 34 7.747 3.140 6.587 244 HD13 ILE 34 2HD1 ILE 34 7.965 2.181 5.122 245 H SER 35 H SER 35 7.207 7.189 6.448 246 HA SER 35 HA SER 35 9.024 8.325 4.512 247 HB2 SER 35 2HB SER 35 10.010 9.412 6.497 248 HB3 SER 35 1HB SER 35 8.317 9.790 6.233 249 HG SER 35 HG SER 35 7.717 8.541 7.878 250 H GLU 36 H GLU 36 11.344 8.129 4.877 251 HA GLU 36 HA GLU 36 12.366 5.549 4.732 252 HB2 GLU 36 2HB GLU 36 13.331 7.626 3.831 253 HB3 GLU 36 1HB GLU 36 13.681 8.092 5.513 254 HG2 GLU 36 2HG GLU 36 15.195 6.315 5.711 255 HG3 GLU 36 1HG GLU 36 14.830 5.779 4.052 256 H ASP 37 H ASP 37 12.306 7.862 7.404 257 HA ASP 37 HA ASP 37 13.685 6.077 9.188 258 HB2 ASP 37 2HB ASP 37 12.380 8.757 9.609 259 HB3 ASP 37 1HB ASP 37 12.951 7.796 10.962 260 H CYS 38 H CYS 38 10.583 6.201 8.074 261 HA CYS 38 HA CYS 38 8.635 5.195 8.614 262 HB2 CYS 38 2HB CYS 38 10.517 3.359 10.108 263 HB3 CYS 38 1HB CYS 38 8.853 2.971 9.685 264 HG CYS 38 HG CYS 38 10.368 3.927 6.965 265 H ARG 39 H ARG 39 9.517 7.311 10.368 266 HA ARG 39 HA ARG 39 8.985 6.716 13.058 267 HB2 ARG 39 2HB ARG 39 8.851 9.330 11.604 268 HB3 ARG 39 1HB ARG 39 8.659 9.171 13.350 269 HG2 ARG 39 2HG ARG 39 10.861 8.111 13.475 270 HG3 ARG 39 1HG ARG 39 11.050 8.355 11.740 271 HD2 ARG 39 2HD ARG 39 10.932 10.732 12.031 272 HD3 ARG 39 1HD ARG 39 10.588 10.495 13.754 273 HE ARG 39 HE ARG 39 13.000 9.228 13.011 274 HH11 ARG 39 1HH1 ARG 39 11.739 12.457 13.705 275 HH12 ARG 39 2HH1 ARG 39 13.189 13.039 14.365 276 HH21 ARG 39 1HH2 ARG 39 14.962 9.984 13.874 277 HH22 ARG 39 2HH2 ARG 39 15.102 11.581 14.468 278 H MET 40 H MET 40 6.887 8.035 10.566 279 HA MET 40 HA MET 40 4.643 8.306 10.430 280 HB2 MET 40 2HB MET 40 3.416 6.167 10.459 281 HB3 MET 40 1HB MET 40 4.940 6.062 9.594 282 HG2 MET 40 2HG MET 40 5.947 5.053 11.620 283 HG3 MET 40 1HG MET 40 4.345 5.082 12.357 284 HE1 MET 40 3HE MET 40 5.438 4.197 8.643 285 HE2 MET 40 1HE MET 40 5.567 2.442 8.761 286 HE3 MET 40 2HE MET 40 6.675 3.467 9.670 287 H GLY 41 H GLY 41 4.157 9.860 11.977 288 HA2 GLY 41 2HA GLY 41 3.277 8.920 14.578 289 HA3 GLY 41 1HA GLY 41 3.367 10.597 14.056 290 H ALA 42 H ALA 42 1.914 9.691 11.536 291 HA ALA 42 HA ALA 42 -0.724 9.083 12.534 292 HB1 ALA 42 1HB ALA 42 -0.153 11.651 11.037 293 HB2 ALA 42 2HB ALA 42 -0.626 11.536 12.733 294 HB3 ALA 42 3HB ALA 42 -1.749 11.039 11.467 295 H GLY 43 H GLY 43 -2.245 8.933 10.650 296 HA2 GLY 43 2HA GLY 43 -2.424 8.749 8.228 297 HA3 GLY 43 1HA GLY 43 -0.802 8.061 8.237 298 H ILE 44 H ILE 44 -1.992 6.358 7.030 299 HA ILE 44 HA ILE 44 -3.699 4.668 8.617 300 HB ILE 44 HB ILE 44 -4.128 4.862 6.217 301 HG12 ILE 44 2HG1 ILE 44 -3.179 2.085 6.927 302 HG13 ILE 44 1HG1 ILE 44 -4.699 2.797 7.460 303 HG21 ILE 44 1HG2 ILE 44 -1.434 3.571 5.860 304 HG22 ILE 44 2HG2 ILE 44 -1.871 5.227 5.437 305 HG23 ILE 44 3HG2 ILE 44 -2.605 3.876 4.575 306 HD11 ILE 44 3HD1 ILE 44 -5.001 1.297 5.632 307 HD12 ILE 44 1HD1 ILE 44 -3.886 2.252 4.641 308 HD13 ILE 44 2HD1 ILE 44 -5.410 2.964 5.199 309 H ALA 45 H ALA 45 -0.360 4.964 7.992 310 HA ALA 45 HA ALA 45 0.544 2.362 8.412 311 HB1 ALA 45 1HB ALA 45 1.997 4.179 7.582 312 HB2 ALA 45 2HB ALA 45 2.697 3.365 8.969 313 HB3 ALA 45 3HB ALA 45 1.930 4.935 9.172 314 H VAL 46 H VAL 46 -0.660 4.700 10.669 315 HA VAL 46 HA VAL 46 0.416 3.628 13.050 316 HB VAL 46 HB VAL 46 -2.166 5.197 12.676 317 HG11 VAL 46 1HG1 VAL 46 -0.563 4.664 15.176 318 HG12 VAL 46 2HG1 VAL 46 -2.167 4.019 14.808 319 HG13 VAL 46 3HG1 VAL 46 -1.944 5.753 15.050 320 HG21 VAL 46 3HG2 VAL 46 -0.840 7.118 13.379 321 HG22 VAL 46 1HG2 VAL 46 -0.207 6.404 11.895 322 HG23 VAL 46 2HG2 VAL 46 0.604 6.109 13.436 323 H LEU 47 H LEU 47 -2.460 2.840 11.219 324 HA LEU 47 HA LEU 47 -3.629 1.037 13.058 325 HB2 LEU 47 2HB LEU 47 -3.769 1.161 10.043 326 HB3 LEU 47 1HB LEU 47 -4.771 0.124 11.036 327 HG LEU 47 HG LEU 47 -4.814 3.148 11.225 328 HD11 LEU 47 1HD1 LEU 47 -5.616 2.258 9.011 329 HD12 LEU 47 2HD1 LEU 47 -6.839 3.078 9.968 330 HD13 LEU 47 3HD1 LEU 47 -6.826 1.325 9.902 331 HD21 LEU 47 3HD2 LEU 47 -6.637 1.001 12.229 332 HD22 LEU 47 1HD2 LEU 47 -6.882 2.736 12.428 333 HD23 LEU 47 2HD2 LEU 47 -5.525 1.935 13.233 334 H PHE 48 H PHE 48 -1.161 0.744 10.614 335 HA PHE 48 HA PHE 48 -1.019 -2.083 10.902 336 HB2 PHE 48 2HB PHE 48 0.614 -0.154 9.261 337 HB3 PHE 48 1HB PHE 48 0.955 -1.888 9.313 338 HD1 PHE 48 2HD PHE 48 -1.779 0.530 8.611 339 HD2 PHE 48 1HD PHE 48 -0.197 -3.356 7.888 340 HE1 PHE 48 2HE PHE 48 -3.545 0.111 6.957 341 HE2 PHE 48 1HE PHE 48 -1.982 -3.758 6.222 342 HZ PHE 48 HZ PHE 48 -3.645 -2.011 5.785 343 H LYS 49 H LYS 49 0.642 0.610 12.308 344 HA LYS 49 HA LYS 49 2.751 -0.863 13.477 345 HB2 LYS 49 2HB LYS 49 1.303 1.520 14.588 346 HB3 LYS 49 1HB LYS 49 2.794 0.849 15.240 347 HG2 LYS 49 2HG LYS 49 3.766 1.202 12.943 348 HG3 LYS 49 1HG LYS 49 2.318 2.169 12.626 349 HD2 LYS 49 2HD LYS 49 4.172 2.541 14.896 350 HD3 LYS 49 1HD LYS 49 4.324 3.459 13.401 351 HE2 LYS 49 2HE LYS 49 2.034 4.366 13.800 352 HE3 LYS 49 1HE LYS 49 1.977 3.498 15.341 353 HZ1 LYS 49 3HZ LYS 49 2.578 5.782 15.700 354 HZ2 LYS 49 1HZ LYS 49 3.832 5.700 14.584 355 HZ3 LYS 49 2HZ LYS 49 3.921 4.834 16.026 356 H LYS 50 H LYS 50 -0.515 -0.266 14.396 357 HA LYS 50 HA LYS 50 -0.341 -1.544 16.894 358 HB2 LYS 50 2HB LYS 50 -2.681 -0.771 15.253 359 HB3 LYS 50 1HB LYS 50 -2.807 -1.465 16.875 360 HG2 LYS 50 2HG LYS 50 -1.369 0.347 17.729 361 HG3 LYS 50 1HG LYS 50 -1.374 1.066 16.120 362 HD2 LYS 50 2HD LYS 50 -3.735 0.452 17.766 363 HD3 LYS 50 1HD LYS 50 -2.996 2.067 17.682 364 HE2 LYS 50 2HE LYS 50 -3.401 2.006 15.212 365 HE3 LYS 50 1HE LYS 50 -4.254 0.484 15.446 366 HZ1 LYS 50 3HZ LYS 50 -5.060 3.095 16.630 367 HZ2 LYS 50 1HZ LYS 50 -5.876 1.634 16.833 368 HZ3 LYS 50 2HZ LYS 50 -5.804 2.373 15.325 369 H LYS 51 H LYS 51 -1.777 -2.666 13.768 370 HA LYS 51 HA LYS 51 -2.258 -5.206 14.951 371 HB2 LYS 51 2HB LYS 51 -2.733 -4.165 12.204 372 HB3 LYS 51 1HB LYS 51 -3.083 -5.817 12.688 373 HG2 LYS 51 2HG LYS 51 -4.579 -4.936 14.443 374 HG3 LYS 51 1HG LYS 51 -4.284 -3.305 13.831 375 HD2 LYS 51 2HD LYS 51 -5.101 -3.940 11.689 376 HD3 LYS 51 1HD LYS 51 -5.379 -5.591 12.244 377 HE2 LYS 51 2HE LYS 51 -6.994 -4.759 13.886 378 HE3 LYS 51 1HE LYS 51 -6.754 -3.105 13.306 379 HZ1 LYS 51 3HZ LYS 51 -7.653 -3.829 11.151 380 HZ2 LYS 51 1HZ LYS 51 -8.745 -4.082 12.401 381 HZ3 LYS 51 2HZ LYS 51 -7.895 -5.385 11.769 382 H PHE 52 H PHE 52 0.281 -3.924 12.865 383 HA PHE 52 HA PHE 52 1.181 -6.688 12.412 384 HB2 PHE 52 2HB PHE 52 1.699 -4.172 10.841 385 HB3 PHE 52 1HB PHE 52 2.579 -5.663 10.566 386 HD1 PHE 52 1HD PHE 52 -1.015 -4.704 10.997 387 HD2 PHE 52 2HD PHE 52 1.896 -6.768 8.706 388 HE1 PHE 52 1HE PHE 52 -2.759 -5.407 9.440 389 HE2 PHE 52 2HE PHE 52 0.166 -7.480 7.135 390 HZ PHE 52 HZ PHE 52 -2.182 -6.804 7.492 391 H GLY 53 H GLY 53 2.096 -3.593 13.785 392 HA2 GLY 53 2HA GLY 53 4.020 -2.785 14.794 393 HA3 GLY 53 1HA GLY 53 4.212 -4.434 15.365 394 H GLY 54 H GLY 54 4.357 -3.347 12.011 395 HA2 GLY 54 2HA GLY 54 6.873 -4.810 11.789 396 HA3 GLY 54 1HA GLY 54 5.832 -4.339 10.462 397 H VAL 55 H VAL 55 6.790 -1.993 12.872 398 HA VAL 55 HA VAL 55 7.882 -0.245 10.946 399 HB VAL 55 HB VAL 55 8.355 -0.258 13.948 400 HG11 VAL 55 1HG1 VAL 55 8.790 2.139 13.686 401 HG12 VAL 55 2HG1 VAL 55 8.604 1.970 11.938 402 HG13 VAL 55 3HG1 VAL 55 9.934 1.155 12.763 403 HG21 VAL 55 3HG2 VAL 55 6.502 1.350 14.064 404 HG22 VAL 55 1HG2 VAL 55 5.975 -0.215 13.437 405 HG23 VAL 55 2HG2 VAL 55 6.225 1.139 12.336 406 H GLN 56 H GLN 56 9.341 -2.455 13.293 407 HA GLN 56 HA GLN 56 12.025 -1.953 12.717 408 HB2 GLN 56 2HB GLN 56 10.609 -4.373 13.828 409 HB3 GLN 56 1HB GLN 56 12.346 -4.203 13.752 410 HG2 GLN 56 2HG GLN 56 11.565 -3.742 15.992 411 HG3 GLN 56 1HG GLN 56 12.214 -2.273 15.280 412 HE21 GLN 56 1HE2 GLN 56 11.080 -0.963 16.687 413 HE22 GLN 56 2HE2 GLN 56 9.372 -0.727 16.600 414 H GLU 57 H GLU 57 9.730 -4.216 11.397 415 HA GLU 57 HA GLU 57 11.504 -5.680 9.786 416 HB2 GLU 57 2HB GLU 57 8.580 -5.069 9.346 417 HB3 GLU 57 1HB GLU 57 9.497 -6.263 8.437 418 HG2 GLU 57 2HG GLU 57 9.884 -7.531 10.483 419 HG3 GLU 57 1HG GLU 57 9.001 -6.316 11.406 420 H LEU 58 H LEU 58 9.847 -2.674 9.245 421 HA LEU 58 HA LEU 58 10.615 -2.343 6.514 422 HB2 LEU 58 2HB LEU 58 9.720 -0.318 8.558 423 HB3 LEU 58 1HB LEU 58 9.811 -0.054 6.828 424 HG LEU 58 HG LEU 58 7.996 -2.038 8.183 425 HD11 LEU 58 1HD1 LEU 58 7.332 0.246 8.659 426 HD12 LEU 58 2HD1 LEU 58 6.198 -0.511 7.537 427 HD13 LEU 58 3HD1 LEU 58 7.404 0.632 6.942 428 HD21 LEU 58 3HD2 LEU 58 8.198 -1.171 5.307 429 HD22 LEU 58 1HD2 LEU 58 6.957 -2.228 5.976 430 HD23 LEU 58 2HD2 LEU 58 8.640 -2.751 5.955 431 H LEU 59 H LEU 59 11.722 -0.877 9.560 432 HA LEU 59 HA LEU 59 13.811 0.596 8.417 433 HB2 LEU 59 2HB LEU 59 13.412 -0.342 11.242 434 HB3 LEU 59 1HB LEU 59 14.761 0.666 10.759 435 HG LEU 59 HG LEU 59 11.852 1.441 10.520 436 HD11 LEU 59 1HD1 LEU 59 12.604 1.364 12.845 437 HD12 LEU 59 2HD1 LEU 59 12.380 3.030 12.297 438 HD13 LEU 59 3HD1 LEU 59 14.003 2.359 12.426 439 HD21 LEU 59 3HD2 LEU 59 14.393 2.981 9.987 440 HD22 LEU 59 1HD2 LEU 59 12.774 3.661 10.010 441 HD23 LEU 59 2HD2 LEU 59 13.205 2.477 8.781 442 H ASN 60 H ASN 60 13.812 -2.668 9.713 443 HA ASN 60 HA ASN 60 16.600 -2.975 9.439 444 HB2 ASN 60 2HB ASN 60 14.413 -5.057 9.598 445 HB3 ASN 60 1HB ASN 60 16.132 -5.446 9.596 446 HD21 ASN 60 1HD2 ASN 60 14.020 -5.780 11.700 447 HD22 ASN 60 2HD2 ASN 60 14.661 -4.980 13.078 448 H GLN 61 H GLN 61 14.077 -3.073 7.071 449 HA GLN 61 HA GLN 61 15.680 -4.349 5.033 450 HB2 GLN 61 2HB GLN 61 13.206 -2.637 4.812 451 HB3 GLN 61 1HB GLN 61 14.018 -3.370 3.443 452 HG2 GLN 61 2HG GLN 61 13.555 -5.585 4.408 453 HG3 GLN 61 1HG GLN 61 12.672 -4.790 5.715 454 HE21 GLN 61 1HE2 GLN 61 10.777 -5.781 5.119 455 HE22 GLN 61 2HE2 GLN 61 9.855 -5.362 3.742 456 H GLN 62 H GLN 62 15.628 -1.358 6.516 457 HA GLN 62 HA GLN 62 16.396 0.671 6.179 458 HB2 GLN 62 2HB GLN 62 18.738 0.809 5.520 459 HB3 GLN 62 1HB GLN 62 18.450 -0.505 6.643 460 HG2 GLN 62 2HG GLN 62 18.473 -2.074 4.816 461 HG3 GLN 62 1HG GLN 62 18.734 -0.751 3.689 462 HE21 GLN 62 1HE2 GLN 62 20.410 -3.072 4.241 463 HE22 GLN 62 2HE2 GLN 62 21.956 -2.467 4.699 464 H LYS 63 H LYS 63 14.472 0.271 4.275 465 HA LYS 63 HA LYS 63 15.403 0.933 1.712 466 HB2 LYS 63 2HB LYS 63 12.693 1.191 2.981 467 HB3 LYS 63 1HB LYS 63 13.020 1.589 1.301 468 HG2 LYS 63 2HG LYS 63 13.445 -1.085 2.573 469 HG3 LYS 63 1HG LYS 63 12.058 -0.631 1.568 470 HD2 LYS 63 2HD LYS 63 13.686 -0.140 -0.279 471 HD3 LYS 63 1HD LYS 63 14.957 -0.790 0.755 472 HE2 LYS 63 2HE LYS 63 12.550 -2.289 -0.267 473 HE3 LYS 63 1HE LYS 63 14.197 -2.448 -0.862 474 HZ1 LYS 63 3HZ LYS 63 14.810 -3.240 1.404 475 HZ2 LYS 63 1HZ LYS 63 13.774 -4.205 0.532 476 HZ3 LYS 63 2HZ LYS 63 13.139 -3.301 1.786 477 H LYS 64 H LYS 64 15.335 2.794 0.655 478 HA LYS 64 HA LYS 64 15.543 5.140 2.388 479 HB2 LYS 64 2HB LYS 64 16.903 4.624 -0.246 480 HB3 LYS 64 1HB LYS 64 17.024 6.110 0.677 481 HG2 LYS 64 2HG LYS 64 18.026 3.391 1.516 482 HG3 LYS 64 1HG LYS 64 19.003 4.767 0.996 483 HD2 LYS 64 2HD LYS 64 18.128 6.049 2.930 484 HD3 LYS 64 1HD LYS 64 17.276 4.604 3.462 485 HE2 LYS 64 2HE LYS 64 19.335 4.820 4.686 486 HE3 LYS 64 1HE LYS 64 19.430 3.423 3.619 487 HZ1 LYS 64 3HZ LYS 64 20.622 6.093 3.026 488 HZ2 LYS 64 1HZ LYS 64 20.781 4.717 2.080 489 HZ3 LYS 64 2HZ LYS 64 21.469 4.767 3.610 490 H SER 65 H SER 65 15.093 7.146 1.322 491 HA SER 65 HA SER 65 12.528 7.272 0.304 492 HB2 SER 65 2HB SER 65 13.320 9.685 -0.263 493 HB3 SER 65 1HB SER 65 13.270 9.165 1.422 494 HG SER 65 HG SER 65 15.426 8.967 1.471 495 H GLY 66 H GLY 66 11.853 6.429 -1.541 496 HA2 GLY 66 2HA GLY 66 11.809 6.951 -3.979 497 HA3 GLY 66 1HA GLY 66 13.559 6.753 -3.923 498 H GLU 67 H GLU 67 12.751 4.529 -1.828 499 HA GLU 67 HA GLU 67 12.264 2.476 -3.808 500 HB2 GLU 67 2HB GLU 67 13.993 2.286 -1.323 501 HB3 GLU 67 1HB GLU 67 13.495 0.904 -2.276 502 HG2 GLU 67 2HG GLU 67 15.671 1.316 -2.969 503 HG3 GLU 67 1HG GLU 67 14.693 2.046 -4.228 504 H VAL 68 H VAL 68 11.373 0.465 -2.755 505 HA VAL 68 HA VAL 68 9.237 1.346 -0.930 506 HB VAL 68 HB VAL 68 8.446 0.968 -3.256 507 HG11 VAL 68 1HG1 VAL 68 10.012 -0.750 -3.951 508 HG12 VAL 68 2HG1 VAL 68 8.350 -1.278 -4.194 509 HG13 VAL 68 3HG1 VAL 68 9.277 -1.888 -2.822 510 HG21 VAL 68 3HG2 VAL 68 6.585 -0.439 -2.767 511 HG22 VAL 68 1HG2 VAL 68 6.922 0.601 -1.384 512 HG23 VAL 68 2HG2 VAL 68 7.402 -1.106 -1.342 513 H ALA 69 H ALA 69 8.857 0.142 0.806 514 HA ALA 69 HA ALA 69 10.461 -2.273 1.248 515 HB1 ALA 69 1HB ALA 69 10.601 -0.511 2.983 516 HB2 ALA 69 2HB ALA 69 9.847 -1.972 3.617 517 HB3 ALA 69 3HB ALA 69 8.858 -0.582 3.184 518 H VAL 70 H VAL 70 9.413 -4.262 1.715 519 HA VAL 70 HA VAL 70 6.494 -4.180 1.457 520 HB VAL 70 HB VAL 70 8.239 -6.213 0.038 521 HG11 VAL 70 1HG1 VAL 70 5.272 -5.748 -0.086 522 HG12 VAL 70 2HG1 VAL 70 6.100 -7.114 0.663 523 HG13 VAL 70 3HG1 VAL 70 6.176 -6.887 -1.085 524 HG21 VAL 70 3HG2 VAL 70 6.737 -3.877 -1.155 525 HG22 VAL 70 1HG2 VAL 70 7.556 -5.144 -2.069 526 HG23 VAL 70 2HG2 VAL 70 8.491 -4.042 -1.057 527 H LEU 71 H LEU 71 5.442 -5.567 2.719 528 HA LEU 71 HA LEU 71 6.995 -7.509 4.319 529 HB2 LEU 71 2HB LEU 71 4.449 -6.066 5.112 530 HB3 LEU 71 1HB LEU 71 5.302 -7.214 6.084 531 HG LEU 71 HG LEU 71 6.286 -4.466 5.331 532 HD11 LEU 71 1HD1 LEU 71 6.109 -4.020 7.717 533 HD12 LEU 71 2HD1 LEU 71 5.475 -5.639 7.987 534 HD13 LEU 71 3HD1 LEU 71 4.548 -4.476 7.038 535 HD21 LEU 71 3HD2 LEU 71 8.167 -6.019 5.411 536 HD22 LEU 71 1HD2 LEU 71 7.631 -6.604 6.988 537 HD23 LEU 71 2HD2 LEU 71 8.187 -4.943 6.809 538 H LYS 72 H LYS 72 6.384 -9.583 3.896 539 HA LYS 72 HA LYS 72 3.862 -9.920 2.500 540 HB2 LYS 72 2HB LYS 72 5.749 -11.143 1.563 541 HB3 LYS 72 1HB LYS 72 6.000 -11.955 3.118 542 HG2 LYS 72 2HG LYS 72 4.887 -13.445 1.518 543 HG3 LYS 72 1HG LYS 72 3.834 -13.068 2.881 544 HD2 LYS 72 2HD LYS 72 2.710 -11.355 1.495 545 HD3 LYS 72 1HD LYS 72 3.726 -11.818 0.130 546 HE2 LYS 72 2HE LYS 72 1.735 -13.578 1.573 547 HE3 LYS 72 1HE LYS 72 1.514 -12.854 -0.016 548 HZ1 LYS 72 3HZ LYS 72 3.435 -14.223 -0.792 549 HZ2 LYS 72 1HZ LYS 72 2.125 -15.091 -0.265 550 HZ3 LYS 72 2HZ LYS 72 3.463 -14.975 0.734 551 H ARG 73 H ARG 73 2.141 -10.685 3.375 552 HA ARG 73 HA ARG 73 2.304 -11.423 6.197 553 HB2 ARG 73 2HB ARG 73 1.165 -9.246 5.535 554 HB3 ARG 73 1HB ARG 73 -0.017 -10.205 4.684 555 HG2 ARG 73 2HG ARG 73 -0.854 -9.410 6.839 556 HG3 ARG 73 1HG ARG 73 -0.785 -11.160 6.775 557 HD2 ARG 73 2HD ARG 73 1.433 -9.524 7.997 558 HD3 ARG 73 1HD ARG 73 0.020 -10.006 8.927 559 HE ARG 73 HE ARG 73 0.663 -12.339 8.303 560 HH11 ARG 73 1HH1 ARG 73 3.176 -9.799 8.607 561 HH12 ARG 73 2HH1 ARG 73 4.388 -10.856 9.105 562 HH21 ARG 73 1HH2 ARG 73 2.394 -13.789 8.964 563 HH22 ARG 73 2HH2 ARG 73 3.936 -13.182 9.321 564 H ASP 74 H ASP 74 -0.115 -12.635 6.522 565 HA ASP 74 HA ASP 74 0.312 -15.226 5.750 566 HB2 ASP 74 2HB ASP 74 -2.340 -13.972 6.457 567 HB3 ASP 74 1HB ASP 74 -1.930 -15.677 6.551 568 H GLY 75 H GLY 75 -1.563 -12.763 4.131 569 HA2 GLY 75 2HA GLY 75 -1.906 -14.676 1.931 570 HA3 GLY 75 1HA GLY 75 -3.229 -13.647 2.447 571 H ARG 76 H ARG 76 -1.818 -11.191 2.782 572 HA ARG 76 HA ARG 76 -1.410 -10.671 -0.080 573 HB2 ARG 76 2HB ARG 76 -2.169 -8.433 0.306 574 HB3 ARG 76 1HB ARG 76 -3.359 -9.552 0.958 575 HG2 ARG 76 2HG ARG 76 -2.623 -9.124 3.196 576 HG3 ARG 76 1HG ARG 76 -1.256 -8.178 2.613 577 HD2 ARG 76 2HD ARG 76 -2.900 -6.660 3.360 578 HD3 ARG 76 1HD ARG 76 -2.876 -6.609 1.593 579 HE ARG 76 HE ARG 76 -4.840 -8.305 2.881 580 HH11 ARG 76 1HH1 ARG 76 -4.204 -5.370 1.021 581 HH12 ARG 76 2HH1 ARG 76 -5.817 -4.902 0.866 582 HH21 ARG 76 1HH2 ARG 76 -7.095 -7.654 2.742 583 HH22 ARG 76 2HH2 ARG 76 -7.487 -6.256 1.874 584 H TYR 77 H TYR 77 0.012 -8.849 -0.611 585 HA TYR 77 HA TYR 77 2.399 -8.730 1.064 586 HB2 TYR 77 2HB TYR 77 1.800 -7.646 -1.701 587 HB3 TYR 77 1HB TYR 77 3.316 -7.408 -0.856 588 HD1 TYR 77 2HD TYR 77 1.161 -9.867 -2.543 589 HD2 TYR 77 1HD TYR 77 4.939 -9.122 -0.765 590 HE1 TYR 77 2HE TYR 77 2.036 -11.933 -3.545 591 HE2 TYR 77 1HE TYR 77 5.825 -11.178 -1.761 592 HH TYR 77 HH TYR 77 4.118 -12.981 -4.140 593 H ILE 78 H ILE 78 3.028 -6.830 2.058 594 HA ILE 78 HA ILE 78 1.105 -4.611 1.923 595 HB ILE 78 HB ILE 78 3.213 -5.013 4.054 596 HG12 ILE 78 2HG1 ILE 78 1.780 -7.052 4.063 597 HG13 ILE 78 1HG1 ILE 78 1.566 -6.080 5.509 598 HG21 ILE 78 1HG2 ILE 78 0.590 -3.565 3.960 599 HG22 ILE 78 2HG2 ILE 78 2.197 -2.827 3.882 600 HG23 ILE 78 3HG2 ILE 78 1.654 -3.632 5.367 601 HD11 ILE 78 3HD1 ILE 78 -0.488 -5.182 4.591 602 HD12 ILE 78 1HD1 ILE 78 -0.524 -6.950 4.702 603 HD13 ILE 78 2HD1 ILE 78 -0.262 -6.168 3.136 604 H TYR 79 H TYR 79 1.879 -2.884 0.868 605 HA TYR 79 HA TYR 79 4.761 -2.647 0.433 606 HB2 TYR 79 2HB TYR 79 2.446 -1.436 -1.087 607 HB3 TYR 79 1HB TYR 79 4.134 -1.071 -1.402 608 HD1 TYR 79 1HD TYR 79 1.615 -3.776 -1.420 609 HD2 TYR 79 2HD TYR 79 5.435 -2.487 -2.740 610 HE1 TYR 79 1HE TYR 79 1.735 -5.692 -2.910 611 HE2 TYR 79 2HE TYR 79 5.555 -4.440 -4.260 612 HH TYR 79 HH TYR 79 2.934 -6.442 -4.900 613 H TYR 80 H TYR 80 5.849 -0.909 0.952 614 HA TYR 80 HA TYR 80 4.446 1.355 2.111 615 HB2 TYR 80 2HB TYR 80 6.884 -0.048 3.184 616 HB3 TYR 80 1HB TYR 80 6.387 1.559 3.701 617 HD1 TYR 80 1HD TYR 80 4.413 1.855 5.062 618 HD2 TYR 80 2HD TYR 80 5.655 -2.017 3.857 619 HE1 TYR 80 1HE TYR 80 2.912 0.865 6.739 620 HE2 TYR 80 2HE TYR 80 4.173 -3.022 5.527 621 HH TYR 80 HH TYR 80 3.098 -2.381 7.628 622 H LEU 81 H LEU 81 4.685 2.789 0.615 623 HA LEU 81 HA LEU 81 6.996 3.015 -1.095 624 HB2 LEU 81 2HB LEU 81 4.597 4.788 -0.675 625 HB3 LEU 81 1HB LEU 81 5.693 4.883 -2.026 626 HG LEU 81 HG LEU 81 3.777 2.622 -1.430 627 HD11 LEU 81 1HD1 LEU 81 2.645 4.607 -2.182 628 HD12 LEU 81 2HD1 LEU 81 2.637 3.386 -3.461 629 HD13 LEU 81 3HD1 LEU 81 3.751 4.751 -3.546 630 HD21 LEU 81 3HD2 LEU 81 5.622 2.990 -3.805 631 HD22 LEU 81 1HD2 LEU 81 4.430 1.706 -3.617 632 HD23 LEU 81 2HD2 LEU 81 5.807 1.797 -2.531 633 H ILE 82 H ILE 82 8.794 4.079 -0.385 634 HA ILE 82 HA ILE 82 8.575 5.984 1.850 635 HB ILE 82 HB ILE 82 11.062 5.268 0.289 636 HG12 ILE 82 2HG1 ILE 82 10.120 3.141 1.250 637 HG13 ILE 82 1HG1 ILE 82 11.670 3.586 1.936 638 HG21 ILE 82 1HG2 ILE 82 12.176 6.030 2.339 639 HG22 ILE 82 2HG2 ILE 82 10.584 6.317 3.052 640 HG23 ILE 82 3HG2 ILE 82 11.102 7.267 1.665 641 HD11 ILE 82 3HD1 ILE 82 10.471 4.446 3.933 642 HD12 ILE 82 1HD1 ILE 82 10.287 2.736 3.640 643 HD13 ILE 82 2HD1 ILE 82 8.955 3.838 3.242 644 H THR 83 H THR 83 7.711 7.785 1.210 645 HA THR 83 HA THR 83 8.201 8.936 -1.344 646 HB THR 83 HB THR 83 7.092 10.962 -0.287 647 HG1 THR 83 1HG THR 83 5.948 9.817 1.776 648 HG21 THR 83 3HG2 THR 83 5.840 9.330 -1.589 649 HG22 THR 83 1HG2 THR 83 4.878 9.921 -0.234 650 HG23 THR 83 2HG2 THR 83 5.624 8.318 -0.155 651 H LYS 84 H LYS 84 9.091 9.904 1.929 652 HA LYS 84 HA LYS 84 11.611 10.899 0.924 653 HB2 LYS 84 2HB LYS 84 9.621 12.567 2.430 654 HB3 LYS 84 1HB LYS 84 11.338 12.886 2.539 655 HG2 LYS 84 2HG LYS 84 9.625 13.025 0.063 656 HG3 LYS 84 1HG LYS 84 10.296 14.387 0.957 657 HD2 LYS 84 2HD LYS 84 12.584 13.202 0.471 658 HD3 LYS 84 1HD LYS 84 11.681 12.406 -0.810 659 HE2 LYS 84 2HE LYS 84 12.121 15.365 -0.436 660 HE3 LYS 84 1HE LYS 84 12.792 14.345 -1.696 661 HZ1 LYS 84 3HZ LYS 84 10.985 15.705 -2.427 662 HZ2 LYS 84 1HZ LYS 84 9.925 15.015 -1.335 663 HZ3 LYS 84 2HZ LYS 84 10.578 14.095 -2.644 664 H LYS 85 H LYS 85 12.880 11.688 2.884 665 HA LYS 85 HA LYS 85 13.307 9.448 4.393 666 HB2 LYS 85 2HB LYS 85 15.082 10.917 3.853 667 HB3 LYS 85 1HB LYS 85 14.319 12.247 4.714 668 HG2 LYS 85 2HG LYS 85 14.699 11.239 6.786 669 HG3 LYS 85 1HG LYS 85 15.194 9.719 6.038 670 HD2 LYS 85 2HD LYS 85 17.120 10.868 5.068 671 HD3 LYS 85 1HD LYS 85 16.622 12.357 5.887 672 HE2 LYS 85 2HE LYS 85 18.354 11.060 7.071 673 HE3 LYS 85 1HE LYS 85 16.873 11.375 7.993 674 HZ1 LYS 85 3HZ LYS 85 17.755 8.995 8.124 675 HZ2 LYS 85 1HZ LYS 85 17.192 8.806 6.503 676 HZ3 LYS 85 2HZ LYS 85 16.142 9.220 7.739 677 H ARG 86 H ARG 86 11.519 12.344 5.123 678 HA ARG 86 HA ARG 86 10.818 11.237 7.760 679 HB2 ARG 86 2HB ARG 86 11.414 14.098 7.042 680 HB3 ARG 86 1HB ARG 86 10.774 13.580 8.590 681 HG2 ARG 86 2HG ARG 86 13.385 12.627 7.464 682 HG3 ARG 86 1HG ARG 86 13.232 14.018 8.536 683 HD2 ARG 86 2HD ARG 86 12.323 12.724 10.227 684 HD3 ARG 86 1HD ARG 86 12.203 11.290 9.205 685 HE ARG 86 HE ARG 86 14.471 10.950 9.379 686 HH11 ARG 86 1HH1 ARG 86 13.543 13.926 11.101 687 HH12 ARG 86 2HH1 ARG 86 14.963 14.010 12.024 688 HH21 ARG 86 1HH2 ARG 86 16.445 11.059 10.701 689 HH22 ARG 86 2HH2 ARG 86 16.637 12.345 11.799 690 H ALA 87 H ALA 87 8.721 11.689 8.452 691 HA ALA 87 HA ALA 87 6.769 12.058 6.393 692 HB1 ALA 87 1HB ALA 87 6.346 10.607 8.349 693 HB2 ALA 87 2HB ALA 87 5.137 11.888 8.230 694 HB3 ALA 87 3HB ALA 87 6.448 12.014 9.403 695 H SER 88 H SER 88 8.571 13.996 8.442 696 HA SER 88 HA SER 88 6.900 16.327 8.288 697 HB2 SER 88 2HB SER 88 8.330 15.864 10.261 698 HB3 SER 88 1HB SER 88 9.758 15.990 9.234 699 HG SER 88 HG SER 88 8.544 18.179 8.768 700 H HIS 89 H HIS 89 8.696 14.718 6.017 701 HA HIS 89 HA HIS 89 9.803 17.098 4.776 702 HB2 HIS 89 2HB HIS 89 10.127 14.157 4.113 703 HB3 HIS 89 1HB HIS 89 10.589 15.402 2.988 704 HD1 HIS 89 1HD HIS 89 13.093 14.267 3.329 705 HD2 HIS 89 2HD HIS 89 11.456 16.349 6.512 706 HE1 HIS 89 1HE HIS 89 14.975 14.555 4.950 707 HE2 HIS 89 2HE HIS 89 14.019 15.848 6.855 708 H LYS 90 H LYS 90 9.539 17.034 2.419 709 HA LYS 90 HA LYS 90 6.639 17.173 1.907 710 HB2 LYS 90 2HB LYS 90 8.925 18.257 0.264 711 HB3 LYS 90 1HB LYS 90 7.221 18.633 0.059 712 HG2 LYS 90 2HG LYS 90 7.184 19.736 2.217 713 HG3 LYS 90 1HG LYS 90 8.875 19.307 2.480 714 HD2 LYS 90 2HD LYS 90 9.481 20.618 0.482 715 HD3 LYS 90 1HD LYS 90 7.794 21.085 0.298 716 HE2 LYS 90 2HE LYS 90 9.034 22.853 1.407 717 HE3 LYS 90 1HE LYS 90 7.857 22.153 2.510 718 HZ1 LYS 90 3HZ LYS 90 10.764 21.486 2.477 719 HZ2 LYS 90 1HZ LYS 90 9.627 20.891 3.572 720 HZ3 LYS 90 2HZ LYS 90 10.014 22.522 3.553 721 HA PRO 91 HA PRO 91 7.300 13.559 -0.760 722 HB2 PRO 91 2HB PRO 91 4.690 13.100 -1.360 723 HB3 PRO 91 1HB PRO 91 5.410 12.592 0.170 724 HG2 PRO 91 2HG PRO 91 3.601 14.870 -0.408 725 HG3 PRO 91 1HG PRO 91 3.746 13.893 1.061 726 HD2 PRO 91 2HD PRO 91 4.798 16.431 0.643 727 HD3 PRO 91 1HD PRO 91 5.277 15.327 1.956 728 H THR 92 H THR 92 7.649 13.571 -2.973 729 HA THR 92 HA THR 92 6.403 15.761 -4.397 730 HB THR 92 HB THR 92 8.522 15.499 -5.882 731 HG1 THR 92 1HG THR 92 10.272 14.704 -4.803 732 HG21 THR 92 3HG2 THR 92 9.831 16.941 -4.455 733 HG22 THR 92 1HG2 THR 92 8.825 16.511 -3.076 734 HG23 THR 92 2HG2 THR 92 8.132 17.454 -4.418 735 H TYR 93 H TYR 93 6.217 15.403 -6.752 736 HA TYR 93 HA TYR 93 4.825 13.039 -7.289 737 HB2 TYR 93 2HB TYR 93 6.042 14.987 -9.246 738 HB3 TYR 93 1HB TYR 93 4.955 13.682 -9.691 739 HD1 TYR 93 2HD TYR 93 2.666 13.673 -8.419 740 HD2 TYR 93 1HD TYR 93 5.160 17.074 -8.845 741 HE1 TYR 93 2HE TYR 93 0.735 15.120 -8.030 742 HE2 TYR 93 1HE TYR 93 3.232 18.550 -8.457 743 HH TYR 93 HH TYR 93 0.835 18.437 -8.688 744 H GLU 94 H GLU 94 8.096 14.018 -8.190 745 HA GLU 94 HA GLU 94 8.757 11.642 -9.607 746 HB2 GLU 94 2HB GLU 94 11.097 12.348 -9.313 747 HB3 GLU 94 1HB GLU 94 10.073 13.676 -9.849 748 HG2 GLU 94 2HG GLU 94 10.002 14.565 -7.638 749 HG3 GLU 94 1HG GLU 94 10.910 13.182 -7.031 750 H ASN 95 H ASN 95 9.313 12.520 -6.243 751 HA ASN 95 HA ASN 95 10.592 10.186 -5.462 752 HB2 ASN 95 2HB ASN 95 9.209 12.412 -4.173 753 HB3 ASN 95 1HB ASN 95 9.457 10.966 -3.159 754 HD21 ASN 95 1HD2 ASN 95 11.436 10.556 -2.530 755 HD22 ASN 95 2HD2 ASN 95 12.821 11.580 -2.795 756 H LEU 96 H LEU 96 7.152 11.012 -5.374 757 HA LEU 96 HA LEU 96 6.427 8.507 -4.305 758 HB2 LEU 96 2HB LEU 96 5.018 10.523 -4.180 759 HB3 LEU 96 1HB LEU 96 4.787 10.460 -5.913 760 HG LEU 96 HG LEU 96 3.558 8.347 -5.680 761 HD11 LEU 96 1HD1 LEU 96 4.666 7.481 -3.669 762 HD12 LEU 96 2HD1 LEU 96 2.920 7.545 -3.457 763 HD13 LEU 96 3HD1 LEU 96 3.940 8.776 -2.714 764 HD21 LEU 96 3HD2 LEU 96 2.384 10.468 -5.627 765 HD22 LEU 96 1HD2 LEU 96 2.584 10.547 -3.878 766 HD23 LEU 96 2HD2 LEU 96 1.591 9.273 -4.596 767 H GLN 97 H GLN 97 6.692 9.751 -7.678 768 HA GLN 97 HA GLN 97 5.718 7.637 -9.056 769 HB2 GLN 97 2HB GLN 97 6.252 9.745 -10.062 770 HB3 GLN 97 1HB GLN 97 7.926 9.620 -9.561 771 HG2 GLN 97 2HG GLN 97 8.320 7.940 -10.965 772 HG3 GLN 97 1HG GLN 97 6.600 7.781 -11.482 773 HE21 GLN 97 1HE2 GLN 97 7.007 8.256 -13.699 774 HE22 GLN 97 2HE2 GLN 97 7.627 9.774 -14.231 775 H LYS 98 H LYS 98 8.948 8.199 -7.739 776 HA LYS 98 HA LYS 98 10.237 5.927 -8.726 777 HB2 LYS 98 2HB LYS 98 10.703 7.408 -6.139 778 HB3 LYS 98 1HB LYS 98 11.777 6.179 -6.779 779 HG2 LYS 98 2HG LYS 98 12.195 7.578 -8.746 780 HG3 LYS 98 1HG LYS 98 11.093 8.797 -8.106 781 HD2 LYS 98 2HD LYS 98 13.408 9.407 -7.668 782 HD3 LYS 98 1HD LYS 98 12.561 9.077 -6.161 783 HE2 LYS 98 2HE LYS 98 14.806 8.103 -6.169 784 HE3 LYS 98 1HE LYS 98 13.571 6.860 -6.052 785 HZ1 LYS 98 3HZ LYS 98 15.029 7.609 -8.543 786 HZ2 LYS 98 1HZ LYS 98 13.867 6.370 -8.392 787 HZ3 LYS 98 2HZ LYS 98 15.307 6.244 -7.591 788 H SER 99 H SER 99 8.454 6.364 -5.679 789 HA SER 99 HA SER 99 8.877 3.702 -4.829 790 HB2 SER 99 2HB SER 99 7.141 4.172 -3.148 791 HB3 SER 99 1HB SER 99 8.358 5.426 -3.217 792 HG SER 99 HG SER 99 6.430 6.165 -4.889 793 H LEU 100 H LEU 100 6.201 5.123 -6.751 794 HA LEU 100 HA LEU 100 4.632 2.766 -6.962 795 HB2 LEU 100 2HB LEU 100 5.018 5.215 -8.699 796 HB3 LEU 100 1HB LEU 100 4.021 3.880 -9.204 797 HG LEU 100 HG LEU 100 2.900 5.920 -8.253 798 HD11 LEU 100 1HD1 LEU 100 1.179 4.561 -7.096 799 HD12 LEU 100 2HD1 LEU 100 2.324 3.220 -7.024 800 HD13 LEU 100 3HD1 LEU 100 1.739 3.799 -8.583 801 HD21 LEU 100 3HD2 LEU 100 2.590 5.982 -5.817 802 HD22 LEU 100 1HD2 LEU 100 4.266 6.277 -6.284 803 HD23 LEU 100 2HD2 LEU 100 3.793 4.702 -5.656 804 H GLU 101 H GLU 101 7.395 3.899 -8.912 805 HA GLU 101 HA GLU 101 7.178 1.698 -10.712 806 HB2 GLU 101 2HB GLU 101 9.609 3.398 -10.159 807 HB3 GLU 101 1HB GLU 101 9.408 2.310 -11.524 808 HG2 GLU 101 2HG GLU 101 7.338 3.629 -11.985 809 HG3 GLU 101 1HG GLU 101 8.009 4.857 -10.934 810 H ALA 102 H ALA 102 9.067 2.324 -7.961 811 HA ALA 102 HA ALA 102 10.554 -0.087 -7.832 812 HB1 ALA 102 1HB ALA 102 10.944 1.876 -6.309 813 HB2 ALA 102 2HB ALA 102 10.859 0.326 -5.457 814 HB3 ALA 102 3HB ALA 102 9.476 1.391 -5.432 815 H MET 103 H MET 103 7.341 0.710 -6.694 816 HA MET 103 HA MET 103 6.777 -1.759 -5.547 817 HB2 MET 103 2HB MET 103 5.545 0.156 -4.862 818 HB3 MET 103 1HB MET 103 5.064 0.525 -6.507 819 HG2 MET 103 2HG MET 103 3.583 -1.049 -6.592 820 HG3 MET 103 1HG MET 103 4.199 -2.008 -5.191 821 HE1 MET 103 3HE MET 103 3.429 1.843 -5.640 822 HE2 MET 103 1HE MET 103 1.760 1.926 -5.085 823 HE3 MET 103 2HE MET 103 2.163 1.016 -6.549 824 H LYS 104 H LYS 104 6.308 -0.539 -8.860 825 HA LYS 104 HA LYS 104 5.012 -2.758 -9.897 826 HB2 LYS 104 2HB LYS 104 6.957 -0.901 -11.190 827 HB3 LYS 104 1HB LYS 104 6.051 -2.131 -12.052 828 HG2 LYS 104 2HG LYS 104 3.989 -1.041 -11.079 829 HG3 LYS 104 1HG LYS 104 5.058 0.293 -10.648 830 HD2 LYS 104 2HD LYS 104 4.667 -0.839 -13.396 831 HD3 LYS 104 1HD LYS 104 3.955 0.625 -12.715 832 HE2 LYS 104 2HE LYS 104 6.180 1.625 -12.511 833 HE3 LYS 104 1HE LYS 104 6.928 0.131 -13.081 834 HZ1 LYS 104 3HZ LYS 104 6.740 1.850 -14.824 835 HZ2 LYS 104 1HZ LYS 104 5.074 1.819 -14.671 836 HZ3 LYS 104 2HZ LYS 104 5.888 0.449 -15.212 837 H SER 105 H SER 105 8.409 -1.989 -9.391 838 HA SER 105 HA SER 105 9.687 -4.043 -10.755 839 HB2 SER 105 2HB SER 105 10.811 -2.046 -9.794 840 HB3 SER 105 1HB SER 105 10.541 -2.687 -8.181 841 HG SER 105 HG SER 105 12.339 -3.410 -10.138 842 H HIS 106 H HIS 106 8.316 -3.988 -7.537 843 HA HIS 106 HA HIS 106 9.025 -6.771 -6.872 844 HB2 HIS 106 2HB HIS 106 8.627 -4.950 -5.151 845 HB3 HIS 106 1HB HIS 106 6.933 -5.007 -5.638 846 HD1 HIS 106 1HD HIS 106 5.698 -6.272 -3.901 847 HD2 HIS 106 2HD HIS 106 9.329 -7.997 -4.852 848 HE1 HIS 106 1HE HIS 106 5.787 -8.273 -2.516 849 HE2 HIS 106 2HE HIS 106 8.159 -9.161 -2.825 850 H CYS 107 H CYS 107 6.193 -5.140 -8.116 851 HA CYS 107 HA CYS 107 4.495 -7.257 -8.109 852 HB2 CYS 107 2HB CYS 107 3.595 -5.192 -8.716 853 HB3 CYS 107 1HB CYS 107 4.792 -4.929 -9.966 854 HG CYS 107 HG CYS 107 1.939 -6.827 -10.145 855 H LEU 108 H LEU 108 7.057 -6.473 -10.391 856 HA LEU 108 HA LEU 108 6.550 -8.201 -12.502 857 HB2 LEU 108 2HB LEU 108 9.212 -7.408 -11.361 858 HB3 LEU 108 1HB LEU 108 8.910 -8.037 -12.964 859 HG LEU 108 HG LEU 108 7.982 -5.381 -11.892 860 HD11 LEU 108 1HD1 LEU 108 9.547 -4.447 -13.502 861 HD12 LEU 108 2HD1 LEU 108 10.041 -6.080 -13.952 862 HD13 LEU 108 3HD1 LEU 108 10.352 -5.490 -12.320 863 HD21 LEU 108 3HD2 LEU 108 6.379 -6.341 -13.421 864 HD22 LEU 108 1HD2 LEU 108 7.641 -6.607 -14.624 865 HD23 LEU 108 2HD2 LEU 108 7.192 -4.956 -14.161 866 H LYS 109 H LYS 109 8.225 -8.741 -9.477 867 HA LYS 109 HA LYS 109 9.329 -11.298 -10.119 868 HB2 LYS 109 2HB LYS 109 8.707 -10.132 -7.424 869 HB3 LYS 109 1HB LYS 109 9.792 -11.468 -7.758 870 HG2 LYS 109 2HG LYS 109 11.213 -9.983 -9.001 871 HG3 LYS 109 1HG LYS 109 10.149 -8.626 -8.647 872 HD2 LYS 109 2HD LYS 109 10.463 -8.981 -6.237 873 HD3 LYS 109 1HD LYS 109 11.565 -10.308 -6.574 874 HE2 LYS 109 2HE LYS 109 13.107 -8.756 -7.664 875 HE3 LYS 109 1HE LYS 109 11.970 -7.437 -7.384 876 HZ1 LYS 109 3HZ LYS 109 13.282 -9.034 -5.255 877 HZ2 LYS 109 1HZ LYS 109 12.218 -7.755 -5.020 878 HZ3 LYS 109 2HZ LYS 109 13.723 -7.462 -5.705 879 H ASN 110 H ASN 110 6.464 -10.237 -8.586 880 HA ASN 110 HA ASN 110 5.799 -12.989 -7.709 881 HB2 ASN 110 2HB ASN 110 4.351 -11.898 -6.024 882 HB3 ASN 110 1HB ASN 110 6.061 -11.507 -5.897 883 HD21 ASN 110 1HD2 ASN 110 6.111 -9.522 -5.122 884 HD22 ASN 110 2HD2 ASN 110 5.249 -8.169 -5.784 885 H GLY 111 H GLY 111 4.509 -10.546 -9.798 886 HA2 GLY 111 2HA GLY 111 2.820 -10.839 -11.349 887 HA3 GLY 111 1HA GLY 111 2.471 -12.406 -10.637 888 H VAL 112 H VAL 112 2.549 -9.603 -8.573 889 HA VAL 112 HA VAL 112 -0.211 -9.861 -7.877 890 HB VAL 112 HB VAL 112 1.773 -7.609 -7.293 891 HG11 VAL 112 1HG1 VAL 112 -0.539 -6.754 -7.206 892 HG12 VAL 112 2HG1 VAL 112 0.171 -6.831 -5.589 893 HG13 VAL 112 3HG1 VAL 112 -0.980 -8.064 -6.108 894 HG21 VAL 112 3HG2 VAL 112 1.799 -8.564 -5.032 895 HG22 VAL 112 1HG2 VAL 112 2.317 -9.734 -6.245 896 HG23 VAL 112 2HG2 VAL 112 0.695 -9.833 -5.562 897 H THR 113 H THR 113 -1.990 -8.692 -8.598 898 HA THR 113 HA THR 113 -1.540 -6.699 -10.768 899 HB THR 113 HB THR 113 -3.492 -7.733 -11.935 900 HG1 THR 113 1HG THR 113 -4.372 -8.853 -10.102 901 HG21 THR 113 3HG2 THR 113 -1.194 -8.332 -12.635 902 HG22 THR 113 1HG2 THR 113 -2.306 -9.686 -12.847 903 HG23 THR 113 2HG2 THR 113 -1.197 -9.655 -11.474 904 H ASP 114 H ASP 114 -2.645 -7.020 -7.761 905 HA ASP 114 HA ASP 114 -4.837 -5.142 -8.224 906 HB2 ASP 114 2HB ASP 114 -5.040 -7.590 -6.451 907 HB3 ASP 114 1HB ASP 114 -6.261 -6.345 -6.616 908 H LEU 115 H LEU 115 -4.632 -3.470 -6.911 909 HA LEU 115 HA LEU 115 -3.282 -3.863 -4.340 910 HB2 LEU 115 2HB LEU 115 -2.634 -1.702 -6.316 911 HB3 LEU 115 1HB LEU 115 -2.277 -1.551 -4.611 912 HG LEU 115 HG LEU 115 -1.172 -3.704 -6.406 913 HD11 LEU 115 1HD1 LEU 115 0.932 -2.429 -6.221 914 HD12 LEU 115 2HD1 LEU 115 0.120 -1.213 -5.240 915 HD13 LEU 115 3HD1 LEU 115 -0.310 -1.406 -6.939 916 HD21 LEU 115 3HD2 LEU 115 0.321 -4.137 -4.536 917 HD22 LEU 115 1HD2 LEU 115 -1.376 -4.337 -4.078 918 HD23 LEU 115 2HD2 LEU 115 -0.497 -2.892 -3.590 919 H SER 116 H SER 116 -3.842 -2.638 -2.677 920 HA SER 116 HA SER 116 -6.123 -0.876 -3.038 921 HB2 SER 116 2HB SER 116 -6.935 -1.810 -0.826 922 HB3 SER 116 1HB SER 116 -7.012 -2.944 -2.177 923 HG SER 116 HG SER 116 -4.853 -3.627 -1.380 924 H MET 117 H MET 117 -5.834 1.070 -2.099 925 HA MET 117 HA MET 117 -4.155 1.349 0.237 926 HB2 MET 117 2HB MET 117 -2.754 3.122 -0.697 927 HB3 MET 117 1HB MET 117 -2.530 1.653 -1.604 928 HG2 MET 117 2HG MET 117 -4.329 3.902 -2.497 929 HG3 MET 117 1HG MET 117 -2.651 3.748 -2.993 930 HE1 MET 117 3HE MET 117 -1.744 1.775 -4.492 931 HE2 MET 117 1HE MET 117 -2.746 0.464 -5.114 932 HE3 MET 117 2HE MET 117 -2.388 0.561 -3.389 933 HA PRO 118 HA PRO 118 -7.135 4.682 0.727 934 HB2 PRO 118 2HB PRO 118 -6.170 5.917 2.849 935 HB3 PRO 118 1HB PRO 118 -6.575 4.203 2.980 936 HG2 PRO 118 2HG PRO 118 -3.896 5.476 2.616 937 HG3 PRO 118 1HG PRO 118 -4.377 4.147 3.690 938 HD2 PRO 118 2HD PRO 118 -3.190 3.853 1.189 939 HD3 PRO 118 1HD PRO 118 -4.094 2.593 2.051 940 H ARG 119 H ARG 119 -6.328 7.275 1.751 941 HA ARG 119 HA ARG 119 -5.457 8.500 -0.681 942 HB2 ARG 119 2HB ARG 119 -5.837 9.753 2.050 943 HB3 ARG 119 1HB ARG 119 -5.638 10.626 0.542 944 HG2 ARG 119 2HG ARG 119 -7.757 9.731 -0.268 945 HG3 ARG 119 1HG ARG 119 -7.954 8.818 1.231 946 HD2 ARG 119 2HD ARG 119 -9.263 10.856 1.341 947 HD3 ARG 119 1HD ARG 119 -7.924 10.932 2.487 948 HE ARG 119 HE ARG 119 -7.415 12.109 -0.089 949 HH11 ARG 119 1HH1 ARG 119 -8.448 12.744 3.249 950 HH12 ARG 119 2HH1 ARG 119 -8.202 14.431 3.126 951 HH21 ARG 119 1HH2 ARG 119 -7.111 14.399 -0.226 952 HH22 ARG 119 2HH2 ARG 119 -7.432 15.395 1.121 953 H ILE 120 H ILE 120 -3.406 7.499 -0.918 954 HA ILE 120 HA ILE 120 -1.312 7.875 0.965 955 HB ILE 120 HB ILE 120 0.231 7.123 -0.861 956 HG12 ILE 120 2HG1 ILE 120 -2.323 7.059 -2.499 957 HG13 ILE 120 1HG1 ILE 120 -0.919 8.090 -2.758 958 HG21 ILE 120 1HG2 ILE 120 -0.810 5.505 0.612 959 HG22 ILE 120 2HG2 ILE 120 -0.678 4.843 -1.015 960 HG23 ILE 120 3HG2 ILE 120 -2.229 5.439 -0.429 961 HD11 ILE 120 3HD1 ILE 120 -1.054 6.240 -4.337 962 HD12 ILE 120 1HD1 ILE 120 -0.952 5.096 -3.005 963 HD13 ILE 120 2HD1 ILE 120 0.420 6.157 -3.348 964 H GLY 121 H GLY 121 -2.554 9.788 -1.568 965 HA2 GLY 121 2HA GLY 121 -0.426 11.746 -1.143 966 HA3 GLY 121 1HA GLY 121 -1.602 11.817 -2.453 967 H CYS 122 H CYS 122 -1.153 12.084 0.963 968 HA CYS 122 HA CYS 122 -3.771 12.718 1.732 969 HB2 CYS 122 2HB CYS 122 -1.163 13.393 3.084 970 HB3 CYS 122 1HB CYS 122 -2.749 13.366 3.846 971 HG CYS 122 HG CYS 122 -2.618 10.464 2.599 972 H GLY 123 H GLY 123 -3.937 14.889 3.158 973 HA2 GLY 123 2HA GLY 123 -4.235 16.977 1.243 974 HA3 GLY 123 1HA GLY 123 -4.627 17.063 2.951 975 H LEU 124 H LEU 124 -1.736 16.707 1.014 976 HA LEU 124 HA LEU 124 -0.495 18.923 2.500 977 HB2 LEU 124 2HB LEU 124 0.838 16.648 1.012 978 HB3 LEU 124 1HB LEU 124 1.671 17.940 1.848 979 HG LEU 124 HG LEU 124 -0.033 15.813 3.154 980 HD11 LEU 124 1HD1 LEU 124 2.953 16.208 3.127 981 HD12 LEU 124 2HD1 LEU 124 2.062 14.931 2.301 982 HD13 LEU 124 3HD1 LEU 124 2.082 14.995 4.062 983 HD21 LEU 124 3HD2 LEU 124 0.824 16.719 5.267 984 HD22 LEU 124 1HD2 LEU 124 -0.124 17.919 4.391 985 HD23 LEU 124 2HD2 LEU 124 1.639 18.010 4.383 986 H ASP 125 H ASP 125 -0.549 20.684 1.332 987 HA ASP 125 HA ASP 125 -1.267 20.776 -1.385 988 HB2 ASP 125 2HB ASP 125 -1.919 22.556 0.089 989 HB3 ASP 125 1HB ASP 125 -0.253 22.930 0.486 990 H ARG 126 H ARG 126 1.646 19.918 -0.244 991 HA ARG 126 HA ARG 126 3.455 21.258 -1.968 992 HB2 ARG 126 2HB ARG 126 3.708 18.477 -0.799 993 HB3 ARG 126 1HB ARG 126 5.020 19.417 -1.495 994 HG2 ARG 126 2HG ARG 126 3.454 20.094 0.986 995 HG3 ARG 126 1HG ARG 126 5.116 19.515 0.916 996 HD2 ARG 126 2HD ARG 126 5.795 21.528 -0.265 997 HD3 ARG 126 1HD ARG 126 4.135 22.102 -0.294 998 HE ARG 126 HE ARG 126 5.049 21.562 2.336 999 HH11 ARG 126 1HH1 ARG 126 5.105 24.008 -0.234 1000 HH12 ARG 126 2HH1 ARG 126 5.396 25.298 0.838 1001 HH21 ARG 126 1HH2 ARG 126 5.413 23.375 3.787 1002 HH22 ARG 126 2HH2 ARG 126 5.566 24.949 3.124 1003 H LEU 127 H LEU 127 1.269 18.619 -2.437 1004 HA LEU 127 HA LEU 127 1.578 18.918 -5.221 1005 HB2 LEU 127 2HB LEU 127 1.757 16.419 -5.644 1006 HB3 LEU 127 1HB LEU 127 3.204 17.254 -5.157 1007 HG LEU 127 HG LEU 127 3.050 16.263 -2.920 1008 HD11 LEU 127 1HD1 LEU 127 0.649 16.174 -2.784 1009 HD12 LEU 127 2HD1 LEU 127 1.418 14.613 -2.397 1010 HD13 LEU 127 3HD1 LEU 127 0.626 14.868 -3.982 1011 HD21 LEU 127 3HD2 LEU 127 4.215 15.096 -4.660 1012 HD22 LEU 127 1HD2 LEU 127 2.717 14.291 -5.147 1013 HD23 LEU 127 2HD2 LEU 127 3.426 13.956 -3.560 1014 H GLN 128 H GLN 128 -0.075 17.577 -6.435 1015 HA GLN 128 HA GLN 128 -2.575 17.795 -4.872 1016 HB2 GLN 128 2HB GLN 128 -2.171 17.799 -7.846 1017 HB3 GLN 128 1HB GLN 128 -3.694 18.021 -7.012 1018 HG2 GLN 128 2HG GLN 128 -2.832 20.114 -6.056 1019 HG3 GLN 128 1HG GLN 128 -1.331 19.865 -6.964 1020 HE21 GLN 128 1HE2 GLN 128 -1.611 21.735 -8.154 1021 HE22 GLN 128 2HE2 GLN 128 -2.790 21.882 -9.392 1022 H TRP 129 H TRP 129 -3.848 16.037 -4.624 1023 HA TRP 129 HA TRP 129 -2.997 13.486 -5.365 1024 HB2 TRP 129 2HB TRP 129 -4.557 13.711 -3.521 1025 HB3 TRP 129 1HB TRP 129 -5.766 14.439 -4.576 1026 HD1 TRP 129 HD TRP 129 -7.465 12.829 -5.665 1027 HE1 TRP 129 1HE TRP 129 -7.707 10.290 -5.889 1028 HE3 TRP 129 3HE TRP 129 -2.998 11.450 -3.706 1029 HZ2 TRP 129 2HZ TRP 129 -6.147 7.941 -5.289 1030 HZ3 TRP 129 3HZ TRP 129 -2.443 9.064 -3.566 1031 HH2 TRP 129 HH TRP 129 -4.005 7.352 -4.346 1032 H GLU 130 H GLU 130 -4.982 15.836 -6.932 1033 HA GLU 130 HA GLU 130 -6.221 14.502 -9.002 1034 HB2 GLU 130 2HB GLU 130 -6.293 16.985 -8.448 1035 HB3 GLU 130 1HB GLU 130 -4.733 17.150 -9.217 1036 HG2 GLU 130 2HG GLU 130 -7.284 16.308 -10.612 1037 HG3 GLU 130 1HG GLU 130 -6.643 17.938 -10.586 1038 H ASN 131 H ASN 131 -2.940 15.840 -8.997 1039 HA ASN 131 HA ASN 131 -2.219 14.624 -11.474 1040 HB2 ASN 131 2HB ASN 131 -0.596 16.039 -9.379 1041 HB3 ASN 131 1HB ASN 131 0.134 15.369 -10.819 1042 HD21 ASN 131 1HD2 ASN 131 -1.885 17.900 -9.545 1043 HD22 ASN 131 2HD2 ASN 131 -1.967 18.819 -10.997 1044 H VAL 132 H VAL 132 -1.672 13.820 -8.097 1045 HA VAL 132 HA VAL 132 0.148 11.730 -8.459 1046 HB VAL 132 HB VAL 132 -1.969 12.049 -6.310 1047 HG11 VAL 132 1HG1 VAL 132 -1.312 9.715 -6.464 1048 HG12 VAL 132 2HG1 VAL 132 -0.654 10.441 -5.001 1049 HG13 VAL 132 3HG1 VAL 132 0.388 10.166 -6.403 1050 HG21 VAL 132 3HG2 VAL 132 -0.086 12.806 -4.929 1051 HG22 VAL 132 1HG2 VAL 132 -0.304 13.837 -6.343 1052 HG23 VAL 132 2HG2 VAL 132 0.990 12.641 -6.316 1053 H SER 133 H SER 133 -3.415 11.540 -8.200 1054 HA SER 133 HA SER 133 -3.750 8.852 -8.509 1055 HB2 SER 133 2HB SER 133 -5.469 10.519 -7.818 1056 HB3 SER 133 1HB SER 133 -5.528 11.121 -9.468 1057 HG SER 133 HG SER 133 -6.455 9.316 -10.117 1058 H ALA 134 H ALA 134 -3.591 11.405 -11.006 1059 HA ALA 134 HA ALA 134 -4.050 9.743 -13.218 1060 HB1 ALA 134 1HB ALA 134 -4.229 12.194 -13.287 1061 HB2 ALA 134 2HB ALA 134 -3.171 11.577 -14.557 1062 HB3 ALA 134 3HB ALA 134 -2.478 12.316 -13.109 1063 H MET 135 H MET 135 -1.027 10.906 -11.819 1064 HA MET 135 HA MET 135 0.775 9.651 -13.515 1065 HB2 MET 135 2HB MET 135 1.441 11.393 -11.955 1066 HB3 MET 135 1HB MET 135 1.071 10.343 -10.595 1067 HG2 MET 135 2HG MET 135 2.879 8.851 -11.221 1068 HG3 MET 135 1HG MET 135 3.235 9.836 -12.640 1069 HE1 MET 135 3HE MET 135 3.839 11.256 -8.281 1070 HE2 MET 135 1HE MET 135 3.219 9.663 -8.711 1071 HE3 MET 135 2HE MET 135 2.244 11.102 -9.013 1072 H ILE 136 H ILE 136 -0.727 8.428 -10.553 1073 HA ILE 136 HA ILE 136 0.698 6.012 -10.368 1074 HB ILE 136 HB ILE 136 -2.142 6.640 -9.524 1075 HG12 ILE 136 2HG1 ILE 136 0.425 6.498 -7.930 1076 HG13 ILE 136 1HG1 ILE 136 -0.401 7.970 -8.420 1077 HG21 ILE 136 1HG2 ILE 136 -2.027 4.654 -8.067 1078 HG22 ILE 136 2HG2 ILE 136 -0.466 4.234 -8.774 1079 HG23 ILE 136 3HG2 ILE 136 -1.920 4.225 -9.776 1080 HD11 ILE 136 3HD1 ILE 136 -1.499 5.876 -6.558 1081 HD12 ILE 136 1HD1 ILE 136 -2.321 7.360 -7.041 1082 HD13 ILE 136 2HD1 ILE 136 -0.835 7.447 -6.096 1083 H GLU 137 H GLU 137 -2.248 6.837 -12.110 1084 HA GLU 137 HA GLU 137 -2.729 4.236 -13.060 1085 HB2 GLU 137 2HB GLU 137 -3.602 6.856 -14.270 1086 HB3 GLU 137 1HB GLU 137 -4.305 5.277 -14.605 1087 HG2 GLU 137 2HG GLU 137 -4.874 5.138 -12.170 1088 HG3 GLU 137 1HG GLU 137 -4.366 6.812 -12.035 1089 H GLU 138 H GLU 138 -0.823 6.912 -14.246 1090 HA GLU 138 HA GLU 138 -0.248 5.911 -16.843 1091 HB2 GLU 138 2HB GLU 138 1.571 7.562 -15.097 1092 HB3 GLU 138 1HB GLU 138 1.660 7.398 -16.837 1093 HG2 GLU 138 2HG GLU 138 -0.538 8.571 -16.984 1094 HG3 GLU 138 1HG GLU 138 -0.449 8.807 -15.230 1095 H VAL 139 H VAL 139 1.514 5.808 -13.801 1096 HA VAL 139 HA VAL 139 3.722 4.331 -14.611 1097 HB VAL 139 HB VAL 139 2.447 4.469 -11.850 1098 HG11 VAL 139 1HG1 VAL 139 3.897 2.534 -11.926 1099 HG12 VAL 139 2HG1 VAL 139 4.687 3.819 -11.015 1100 HG13 VAL 139 3HG1 VAL 139 5.175 3.504 -12.669 1101 HG21 VAL 139 3HG2 VAL 139 4.180 6.124 -11.381 1102 HG22 VAL 139 1HG2 VAL 139 3.154 6.634 -12.722 1103 HG23 VAL 139 2HG2 VAL 139 4.766 5.985 -13.037 1104 H PHE 140 H PHE 140 0.688 3.187 -13.198 1105 HA PHE 140 HA PHE 140 1.526 0.489 -13.519 1106 HB2 PHE 140 2HB PHE 140 -0.949 1.671 -12.400 1107 HB3 PHE 140 1HB PHE 140 -0.911 -0.032 -12.842 1108 HD1 PHE 140 2HD PHE 140 1.090 -1.429 -11.909 1109 HD2 PHE 140 1HD PHE 140 -0.191 2.314 -10.298 1110 HE1 PHE 140 2HE PHE 140 2.126 -1.983 -9.851 1111 HE2 PHE 140 1HE PHE 140 0.889 1.708 -8.169 1112 HZ PHE 140 HZ PHE 140 2.042 -0.523 -7.989 1113 H GLU 141 H GLU 141 0.031 2.608 -15.713 1114 HA GLU 141 HA GLU 141 -1.561 0.830 -17.112 1115 HB2 GLU 141 2HB GLU 141 -1.640 3.224 -17.460 1116 HB3 GLU 141 1HB GLU 141 0.023 3.236 -18.021 1117 HG2 GLU 141 2HG GLU 141 -0.550 1.995 -19.925 1118 HG3 GLU 141 1HG GLU 141 -2.211 1.792 -19.363 1119 H ALA 142 H ALA 142 1.830 1.074 -16.875 1120 HA ALA 142 HA ALA 142 2.362 -0.501 -19.250 1121 HB1 ALA 142 1HB ALA 142 4.703 -0.311 -18.608 1122 HB2 ALA 142 2HB ALA 142 4.233 0.410 -17.069 1123 HB3 ALA 142 3HB ALA 142 3.918 1.269 -18.578 1124 H THR 143 H THR 143 1.064 -1.316 -16.399 1125 HA THR 143 HA THR 143 2.267 -3.971 -16.412 1126 HB THR 143 HB THR 143 2.101 -3.967 -13.874 1127 HG1 THR 143 1HG THR 143 1.144 -1.548 -14.382 1128 HG21 THR 143 3HG2 THR 143 4.110 -2.084 -15.126 1129 HG22 THR 143 1HG2 THR 143 4.272 -3.837 -15.026 1130 HG23 THR 143 2HG2 THR 143 4.276 -2.874 -13.553 1131 H ASP 144 H ASP 144 0.881 -5.177 -14.465 1132 HA ASP 144 HA ASP 144 -1.799 -5.162 -15.629 1133 HB2 ASP 144 2HB ASP 144 -0.332 -7.282 -14.081 1134 HB3 ASP 144 1HB ASP 144 -1.957 -7.470 -14.736 1135 H ILE 145 H ILE 145 -0.481 -3.760 -12.948 1136 HA ILE 145 HA ILE 145 -2.429 -4.801 -11.110 1137 HB ILE 145 HB ILE 145 -0.303 -2.674 -10.573 1138 HG12 ILE 145 2HG1 ILE 145 -0.731 -5.448 -9.506 1139 HG13 ILE 145 1HG1 ILE 145 0.457 -5.011 -10.735 1140 HG21 ILE 145 1HG2 ILE 145 -2.360 -3.731 -8.677 1141 HG22 ILE 145 2HG2 ILE 145 -2.276 -2.091 -9.320 1142 HG23 ILE 145 3HG2 ILE 145 -0.986 -2.695 -8.282 1143 HD11 ILE 145 3HD1 ILE 145 0.375 -4.017 -7.897 1144 HD12 ILE 145 1HD1 ILE 145 1.581 -3.609 -9.115 1145 HD13 ILE 145 2HD1 ILE 145 1.444 -5.271 -8.531 1146 H LYS 146 H LYS 146 -4.325 -4.182 -10.592 1147 HA LYS 146 HA LYS 146 -5.497 -1.797 -11.713 1148 HB2 LYS 146 2HB LYS 146 -6.431 -4.234 -11.616 1149 HB3 LYS 146 1HB LYS 146 -6.661 -3.880 -9.909 1150 HG2 LYS 146 2HG LYS 146 -7.913 -2.275 -12.132 1151 HG3 LYS 146 1HG LYS 146 -8.652 -3.669 -11.334 1152 HD2 LYS 146 2HD LYS 146 -8.729 -2.520 -9.255 1153 HD3 LYS 146 1HD LYS 146 -7.713 -1.220 -9.870 1154 HE2 LYS 146 2HE LYS 146 -9.482 -0.583 -11.424 1155 HE3 LYS 146 1HE LYS 146 -10.498 -1.887 -10.797 1156 HZ1 LYS 146 3HZ LYS 146 -9.398 0.276 -9.117 1157 HZ2 LYS 146 1HZ LYS 146 -10.533 -0.893 -8.693 1158 HZ3 LYS 146 2HZ LYS 146 -10.954 0.326 -9.793 1159 H ILE 147 H ILE 147 -6.288 -0.092 -10.261 1160 HA ILE 147 HA ILE 147 -4.999 -0.199 -7.621 1161 HB ILE 147 HB ILE 147 -5.947 2.312 -8.964 1162 HG12 ILE 147 2HG1 ILE 147 -4.486 1.317 -10.634 1163 HG13 ILE 147 1HG1 ILE 147 -3.647 2.656 -9.866 1164 HG21 ILE 147 1HG2 ILE 147 -5.347 2.413 -6.600 1165 HG22 ILE 147 2HG2 ILE 147 -4.193 3.343 -7.565 1166 HG23 ILE 147 3HG2 ILE 147 -3.774 1.746 -6.955 1167 HD11 ILE 147 3HD1 ILE 147 -3.272 -0.261 -9.361 1168 HD12 ILE 147 1HD1 ILE 147 -2.367 1.026 -8.530 1169 HD13 ILE 147 2HD1 ILE 147 -2.207 0.788 -10.281 1170 H THR 148 H THR 148 -6.451 -0.472 -5.973 1171 HA THR 148 HA THR 148 -9.066 0.784 -6.300 1172 HB THR 148 HB THR 148 -8.323 -1.468 -4.399 1173 HG1 THR 148 1HG THR 148 -9.980 -1.812 -6.698 1174 HG21 THR 148 3HG2 THR 148 -10.970 -0.296 -5.276 1175 HG22 THR 148 1HG2 THR 148 -10.225 -0.087 -3.692 1176 HG23 THR 148 2HG2 THR 148 -10.783 -1.687 -4.203 1177 H VAL 149 H VAL 149 -9.107 2.686 -5.255 1178 HA VAL 149 HA VAL 149 -7.406 3.003 -2.911 1179 HB VAL 149 HB VAL 149 -8.697 5.123 -4.672 1180 HG11 VAL 149 1HG1 VAL 149 -8.589 5.877 -2.344 1181 HG12 VAL 149 2HG1 VAL 149 -7.425 6.753 -3.338 1182 HG13 VAL 149 3HG1 VAL 149 -6.878 5.454 -2.278 1183 HG21 VAL 149 3HG2 VAL 149 -6.786 4.001 -5.706 1184 HG22 VAL 149 1HG2 VAL 149 -5.807 4.359 -4.280 1185 HG23 VAL 149 2HG2 VAL 149 -6.394 5.671 -5.293 1186 H TYR 150 H TYR 150 -8.310 2.946 -1.056 1187 HA TYR 150 HA TYR 150 -11.201 3.159 -0.867 1188 HB2 TYR 150 2HB TYR 150 -9.166 2.107 1.080 1189 HB3 TYR 150 1HB TYR 150 -10.870 2.297 1.456 1190 HD1 TYR 150 1HD TYR 150 -8.433 0.443 -0.584 1191 HD2 TYR 150 2HD TYR 150 -12.490 0.741 0.638 1192 HE1 TYR 150 1HE TYR 150 -8.871 -1.803 -1.477 1193 HE2 TYR 150 2HE TYR 150 -12.927 -1.507 -0.247 1194 HH TYR 150 HH TYR 150 -11.928 -3.105 -1.939 1195 H THR 151 H THR 151 -12.108 4.846 -0.155 1196 HA THR 151 HA THR 151 -10.516 6.899 1.119 1197 HB THR 151 HB THR 151 -12.636 8.269 0.860 1198 HG1 THR 151 1HG THR 151 -13.741 5.995 0.538 1199 HG21 THR 151 3HG2 THR 151 -10.837 8.383 -0.812 1200 HG22 THR 151 1HG2 THR 151 -12.420 8.533 -1.573 1201 HG23 THR 151 2HG2 THR 151 -11.538 7.007 -1.661 1202 H LEU 152 H LEU 152 -10.457 7.044 3.220 1203 HA LEU 152 HA LEU 152 -12.487 5.673 4.808 1204 HB2 LEU 152 2HB LEU 152 -9.605 6.277 5.481 1205 HB3 LEU 152 1HB LEU 152 -10.749 5.486 6.544 1206 HG LEU 152 HG LEU 152 -9.701 4.372 3.935 1207 HD11 LEU 152 1HD1 LEU 152 -8.581 2.723 5.353 1208 HD12 LEU 152 2HD1 LEU 152 -9.144 3.579 6.786 1209 HD13 LEU 152 3HD1 LEU 152 -8.021 4.363 5.676 1210 HD21 LEU 152 3HD2 LEU 152 -11.561 3.144 5.979 1211 HD22 LEU 152 1HD2 LEU 152 -10.862 2.306 4.594 1212 HD23 LEU 152 2HD2 LEU 152 -11.990 3.634 4.339 Start of MODEL 8 1 H GLU 1 H GLU 1 -14.412 -6.388 9.253 2 HA GLU 1 HA GLU 1 -13.955 -6.129 6.525 3 HB2 GLU 1 2HB GLU 1 -13.548 -8.583 6.529 4 HB3 GLU 1 1HB GLU 1 -12.646 -7.694 7.746 5 HG2 GLU 1 2HG GLU 1 -14.224 -8.378 9.437 6 HG3 GLU 1 1HG GLU 1 -15.171 -9.233 8.220 7 H ALA 2 H ALA 2 -15.613 -5.480 5.435 8 HA ALA 2 HA ALA 2 -17.441 -7.435 4.483 9 HB1 ALA 2 1HB ALA 2 -18.620 -6.582 6.477 10 HB2 ALA 2 2HB ALA 2 -19.455 -6.130 4.993 11 HB3 ALA 2 3HB ALA 2 -18.470 -4.944 5.859 12 H SER 3 H SER 3 -16.844 -7.102 2.412 13 HA SER 3 HA SER 3 -17.208 -4.426 1.425 14 HB2 SER 3 2HB SER 3 -15.157 -4.769 -0.056 15 HB3 SER 3 1HB SER 3 -14.854 -4.455 1.652 16 HG SER 3 HG SER 3 -13.813 -6.222 1.674 17 H SER 4 H SER 4 -19.114 -5.023 0.637 18 HA SER 4 HA SER 4 -19.154 -6.985 -1.516 19 HB2 SER 4 2HB SER 4 -20.926 -7.144 0.200 20 HB3 SER 4 1HB SER 4 -21.416 -5.494 -0.157 21 HG SER 4 HG SER 4 -21.341 -7.180 -2.365 22 H LEU 5 H LEU 5 -19.522 -3.631 -0.764 23 HA LEU 5 HA LEU 5 -20.219 -2.917 -3.450 24 HB2 LEU 5 2HB LEU 5 -19.393 -1.181 -1.127 25 HB3 LEU 5 1HB LEU 5 -19.945 -0.580 -2.675 26 HG LEU 5 HG LEU 5 -21.586 -2.169 -0.702 27 HD11 LEU 5 1HD1 LEU 5 -22.851 -0.089 -0.456 28 HD12 LEU 5 2HD1 LEU 5 -21.720 0.724 -1.538 29 HD13 LEU 5 3HD1 LEU 5 -21.162 0.108 0.020 30 HD21 LEU 5 3HD2 LEU 5 -23.465 -1.681 -2.201 31 HD22 LEU 5 1HD2 LEU 5 -22.251 -2.682 -2.993 32 HD23 LEU 5 2HD2 LEU 5 -22.349 -0.957 -3.357 33 H ASN 6 H ASN 6 -18.715 -3.475 -4.825 34 HA ASN 6 HA ASN 6 -16.159 -2.080 -4.604 35 HB2 ASN 6 2HB ASN 6 -15.720 -4.463 -4.150 36 HB3 ASN 6 1HB ASN 6 -16.581 -4.919 -5.614 37 HD21 ASN 6 1HD2 ASN 6 -13.627 -3.535 -4.326 38 HD22 ASN 6 2HD2 ASN 6 -12.736 -3.656 -5.799 39 H GLU 7 H GLU 7 -16.258 -0.603 -6.084 40 HA GLU 7 HA GLU 7 -17.962 -0.934 -8.376 41 HB2 GLU 7 2HB GLU 7 -16.282 1.381 -7.441 42 HB3 GLU 7 1HB GLU 7 -17.288 1.411 -8.883 43 HG2 GLU 7 2HG GLU 7 -19.251 1.026 -7.560 44 HG3 GLU 7 1HG GLU 7 -18.287 0.926 -6.087 45 H ASP 8 H ASP 8 -17.095 -0.107 -10.470 46 HA ASP 8 HA ASP 8 -14.375 -1.070 -10.888 47 HB2 ASP 8 2HB ASP 8 -15.043 -1.866 -13.155 48 HB3 ASP 8 1HB ASP 8 -15.903 -2.709 -11.875 49 HA PRO 9 HA PRO 9 -13.775 3.003 -12.381 50 HB2 PRO 9 2HB PRO 9 -11.291 2.811 -13.242 51 HB3 PRO 9 1HB PRO 9 -11.660 2.533 -11.536 52 HG2 PRO 9 2HG PRO 9 -11.196 0.525 -13.712 53 HG3 PRO 9 1HG PRO 9 -10.544 0.550 -12.063 54 HD2 PRO 9 2HD PRO 9 -12.733 -0.926 -12.820 55 HD3 PRO 9 1HD PRO 9 -12.443 -0.346 -11.167 56 H GLU 10 H GLU 10 -12.766 4.131 -14.444 57 HA GLU 10 HA GLU 10 -13.336 2.677 -16.896 58 HB2 GLU 10 2HB GLU 10 -15.517 3.599 -16.175 59 HB3 GLU 10 1HB GLU 10 -14.816 5.207 -16.176 60 HG2 GLU 10 2HG GLU 10 -14.388 4.978 -18.587 61 HG3 GLU 10 1HG GLU 10 -15.182 3.405 -18.555 62 H GLY 11 H GLY 11 -13.146 6.053 -16.152 63 HA2 GLY 11 2HA GLY 11 -11.332 6.628 -18.312 64 HA3 GLY 11 1HA GLY 11 -11.770 7.767 -17.039 65 H SER 12 H SER 12 -10.967 6.300 -14.866 66 HA SER 12 HA SER 12 -8.099 6.158 -15.241 67 HB2 SER 12 2HB SER 12 -8.869 7.903 -13.634 68 HB3 SER 12 1HB SER 12 -9.738 6.664 -12.729 69 HG SER 12 HG SER 12 -6.978 6.378 -13.236 70 H ARG 13 H ARG 13 -7.158 4.366 -14.200 71 HA ARG 13 HA ARG 13 -9.003 2.088 -13.994 72 HB2 ARG 13 2HB ARG 13 -6.993 0.648 -14.180 73 HB3 ARG 13 1HB ARG 13 -7.191 1.712 -15.554 74 HG2 ARG 13 2HG ARG 13 -4.873 1.592 -14.970 75 HG3 ARG 13 1HG ARG 13 -5.470 3.206 -14.567 76 HD2 ARG 13 2HD ARG 13 -5.712 2.600 -12.301 77 HD3 ARG 13 1HD ARG 13 -5.239 0.934 -12.626 78 HE ARG 13 HE ARG 13 -3.683 3.360 -12.908 79 HH11 ARG 13 1HH1 ARG 13 -3.903 -0.072 -12.188 80 HH12 ARG 13 2HH1 ARG 13 -2.446 -0.242 -11.397 81 HH21 ARG 13 1HH2 ARG 13 -1.598 3.232 -11.829 82 HH22 ARG 13 2HH2 ARG 13 -1.060 1.748 -11.182 83 H ILE 14 H ILE 14 -7.869 4.282 -12.003 84 HA ILE 14 HA ILE 14 -7.394 2.599 -9.685 85 HB ILE 14 HB ILE 14 -7.868 5.587 -9.921 86 HG12 ILE 14 2HG1 ILE 14 -5.245 4.121 -9.563 87 HG13 ILE 14 1HG1 ILE 14 -5.794 4.811 -11.092 88 HG21 ILE 14 1HG2 ILE 14 -8.383 4.749 -7.693 89 HG22 ILE 14 2HG2 ILE 14 -6.906 5.706 -7.642 90 HG23 ILE 14 3HG2 ILE 14 -6.817 3.947 -7.615 91 HD11 ILE 14 3HD1 ILE 14 -5.135 6.345 -8.562 92 HD12 ILE 14 1HD1 ILE 14 -5.689 7.050 -10.076 93 HD13 ILE 14 2HD1 ILE 14 -4.147 6.235 -10.014 94 H THR 15 H THR 15 -8.861 1.912 -8.443 95 HA THR 15 HA THR 15 -11.647 2.563 -9.058 96 HB THR 15 HB THR 15 -10.484 0.314 -7.423 97 HG1 THR 15 1HG THR 15 -10.111 0.635 -9.879 98 HG21 THR 15 3HG2 THR 15 -12.846 0.800 -6.967 99 HG22 THR 15 1HG2 THR 15 -12.677 -0.741 -7.809 100 HG23 THR 15 2HG2 THR 15 -13.204 0.695 -8.688 101 H TYR 16 H TYR 16 -12.695 3.836 -7.624 102 HA TYR 16 HA TYR 16 -11.458 4.232 -4.988 103 HB2 TYR 16 2HB TYR 16 -13.464 5.968 -6.434 104 HB3 TYR 16 1HB TYR 16 -12.753 6.322 -4.867 105 HD1 TYR 16 2HD TYR 16 -10.283 6.805 -4.747 106 HD2 TYR 16 1HD TYR 16 -12.371 6.509 -8.434 107 HE1 TYR 16 2HE TYR 16 -8.455 7.991 -5.869 108 HE2 TYR 16 1HE TYR 16 -10.543 7.694 -9.578 109 HH TYR 16 HH TYR 16 -8.766 9.249 -9.001 110 H VAL 17 H VAL 17 -12.452 3.517 -3.233 111 HA VAL 17 HA VAL 17 -15.323 2.932 -3.356 112 HB VAL 17 HB VAL 17 -13.235 1.100 -2.162 113 HG11 VAL 17 1HG1 VAL 17 -15.107 -0.456 -1.732 114 HG12 VAL 17 2HG1 VAL 17 -16.232 0.776 -2.303 115 HG13 VAL 17 3HG1 VAL 17 -15.273 1.062 -0.852 116 HG21 VAL 17 3HG2 VAL 17 -13.934 -0.546 -3.876 117 HG22 VAL 17 1HG2 VAL 17 -13.260 0.916 -4.600 118 HG23 VAL 17 2HG2 VAL 17 -15.003 0.663 -4.577 119 H LYS 18 H LYS 18 -16.325 3.744 -1.700 120 HA LYS 18 HA LYS 18 -14.844 4.906 0.503 121 HB2 LYS 18 2HB LYS 18 -17.821 4.881 -0.070 122 HB3 LYS 18 1HB LYS 18 -17.038 5.795 1.209 123 HG2 LYS 18 2HG LYS 18 -15.827 7.103 -0.440 124 HG3 LYS 18 1HG LYS 18 -16.567 6.167 -1.738 125 HD2 LYS 18 2HD LYS 18 -18.790 6.952 -0.983 126 HD3 LYS 18 1HD LYS 18 -17.998 7.940 0.242 127 HE2 LYS 18 2HE LYS 18 -16.811 9.175 -1.502 128 HE3 LYS 18 1HE LYS 18 -17.573 8.178 -2.734 129 HZ1 LYS 18 3HZ LYS 18 -18.987 10.030 -0.886 130 HZ2 LYS 18 1HZ LYS 18 -19.726 9.026 -2.030 131 HZ3 LYS 18 2HZ LYS 18 -18.697 10.275 -2.516 132 H GLY 19 H GLY 19 -14.320 3.639 2.195 133 HA2 GLY 19 2HA GLY 19 -16.174 2.216 3.672 134 HA3 GLY 19 1HA GLY 19 -15.433 1.084 2.553 135 H ASP 20 H ASP 20 -14.565 -0.037 4.338 136 HA ASP 20 HA ASP 20 -12.503 1.358 5.868 137 HB2 ASP 20 2HB ASP 20 -14.215 -0.121 7.035 138 HB3 ASP 20 1HB ASP 20 -13.491 -1.464 6.183 139 H LEU 21 H LEU 21 -10.364 0.817 5.667 140 HA LEU 21 HA LEU 21 -9.825 -0.697 3.285 141 HB2 LEU 21 2HB LEU 21 -8.838 1.563 3.652 142 HB3 LEU 21 1HB LEU 21 -7.856 0.883 4.928 143 HG LEU 21 HG LEU 21 -7.655 -0.318 2.189 144 HD11 LEU 21 1HD1 LEU 21 -7.544 2.031 1.836 145 HD12 LEU 21 2HD1 LEU 21 -5.957 1.305 1.622 146 HD13 LEU 21 3HD1 LEU 21 -6.317 2.212 3.106 147 HD21 LEU 21 3HD2 LEU 21 -6.471 -1.279 4.132 148 HD22 LEU 21 1HD2 LEU 21 -5.561 0.243 4.284 149 HD23 LEU 21 2HD2 LEU 21 -5.436 -0.738 2.823 150 H PHE 22 H PHE 22 -9.868 -1.365 6.617 151 HA PHE 22 HA PHE 22 -8.017 -3.544 6.261 152 HB2 PHE 22 2HB PHE 22 -9.711 -2.703 8.623 153 HB3 PHE 22 1HB PHE 22 -8.897 -4.263 8.596 154 HD1 PHE 22 1HD PHE 22 -6.345 -4.156 8.097 155 HD2 PHE 22 2HD PHE 22 -8.581 -0.825 9.599 156 HE1 PHE 22 1HE PHE 22 -4.293 -3.134 8.966 157 HE2 PHE 22 2HE PHE 22 -6.519 0.149 10.442 158 HZ PHE 22 HZ PHE 22 -4.382 -0.999 10.135 159 H ALA 23 H ALA 23 -11.133 -2.887 5.412 160 HA ALA 23 HA ALA 23 -12.060 -5.640 5.522 161 HB1 ALA 23 1HB ALA 23 -13.614 -3.829 6.048 162 HB2 ALA 23 2HB ALA 23 -14.136 -4.721 4.621 163 HB3 ALA 23 3HB ALA 23 -13.368 -3.145 4.440 164 H CYS 24 H CYS 24 -9.820 -4.426 3.676 165 HA CYS 24 HA CYS 24 -10.715 -4.573 1.034 166 HB2 CYS 24 2HB CYS 24 -7.946 -5.004 2.145 167 HB3 CYS 24 1HB CYS 24 -8.310 -4.887 0.427 168 HG CYS 24 HG CYS 24 -7.924 -2.548 2.695 169 HA PRO 25 HA PRO 25 -11.349 -8.829 0.004 170 HB2 PRO 25 2HB PRO 25 -9.869 -8.085 -2.478 171 HB3 PRO 25 1HB PRO 25 -11.416 -8.924 -2.305 172 HG2 PRO 25 2HG PRO 25 -11.435 -6.381 -2.986 173 HG3 PRO 25 1HG PRO 25 -12.563 -6.963 -1.746 174 HD2 PRO 25 2HD PRO 25 -10.007 -5.446 -1.407 175 HD3 PRO 25 1HD PRO 25 -11.577 -5.241 -0.595 176 H LYS 26 H LYS 26 -10.266 -10.713 -0.619 177 HA LYS 26 HA LYS 26 -8.157 -11.123 1.214 178 HB2 LYS 26 2HB LYS 26 -9.359 -13.028 -0.800 179 HB3 LYS 26 1HB LYS 26 -8.344 -13.464 0.552 180 HG2 LYS 26 2HG LYS 26 -10.653 -14.002 1.020 181 HG3 LYS 26 1HG LYS 26 -10.119 -12.716 2.105 182 HD2 LYS 26 2HD LYS 26 -11.337 -11.073 0.818 183 HD3 LYS 26 1HD LYS 26 -11.727 -12.256 -0.429 184 HE2 LYS 26 2HE LYS 26 -12.658 -12.357 2.440 185 HE3 LYS 26 1HE LYS 26 -13.620 -11.768 1.084 186 HZ1 LYS 26 3HZ LYS 26 -12.559 -14.519 1.395 187 HZ2 LYS 26 1HZ LYS 26 -13.432 -13.943 0.070 188 HZ3 LYS 26 2HZ LYS 26 -14.167 -14.049 1.586 189 H THR 27 H THR 27 -8.301 -11.017 -2.332 190 HA THR 27 HA THR 27 -5.690 -12.078 -2.645 191 HB THR 27 HB THR 27 -7.698 -10.925 -4.570 192 HG1 THR 27 1HG THR 27 -7.449 -13.332 -3.202 193 HG21 THR 27 3HG2 THR 27 -6.559 -12.325 -6.183 194 HG22 THR 27 1HG2 THR 27 -5.419 -12.836 -4.907 195 HG23 THR 27 2HG2 THR 27 -5.449 -11.148 -5.435 196 H ASP 28 H ASP 28 -7.082 -8.993 -2.112 197 HA ASP 28 HA ASP 28 -5.301 -7.451 -3.706 198 HB2 ASP 28 2HB ASP 28 -7.198 -6.710 -1.479 199 HB3 ASP 28 1HB ASP 28 -6.174 -5.531 -2.283 200 H SER 29 H SER 29 -3.302 -6.837 -3.294 201 HA SER 29 HA SER 29 -2.263 -7.279 -0.642 202 HB2 SER 29 2HB SER 29 -0.938 -6.382 -3.222 203 HB3 SER 29 1HB SER 29 -0.080 -6.700 -1.707 204 HG SER 29 HG SER 29 -1.767 -8.600 -2.915 205 H LEU 30 H LEU 30 -0.831 -5.262 0.184 206 HA LEU 30 HA LEU 30 -2.668 -3.003 -0.241 207 HB2 LEU 30 2HB LEU 30 -2.974 -4.669 1.778 208 HB3 LEU 30 1HB LEU 30 -1.643 -3.769 2.442 209 HG LEU 30 HG LEU 30 -4.273 -2.562 1.634 210 HD11 LEU 30 1HD1 LEU 30 -4.571 -4.181 3.382 211 HD12 LEU 30 2HD1 LEU 30 -4.726 -2.545 4.031 212 HD13 LEU 30 3HD1 LEU 30 -3.242 -3.463 4.297 213 HD21 LEU 30 3HD2 LEU 30 -1.971 -1.520 3.271 214 HD22 LEU 30 1HD2 LEU 30 -3.499 -0.679 3.053 215 HD23 LEU 30 2HD2 LEU 30 -2.445 -0.953 1.673 216 H ALA 31 H ALA 31 -1.690 -1.026 -0.122 217 HA ALA 31 HA ALA 31 1.194 -0.949 0.460 218 HB1 ALA 31 1HB ALA 31 -0.148 0.241 -1.948 219 HB2 ALA 31 2HB ALA 31 0.917 -1.160 -1.952 220 HB3 ALA 31 3HB ALA 31 1.562 0.436 -1.538 221 H HIS 32 H HIS 32 2.035 1.266 0.857 222 HA HIS 32 HA HIS 32 0.089 3.364 1.547 223 HB2 HIS 32 2HB HIS 32 2.111 2.534 3.612 224 HB3 HIS 32 1HB HIS 32 0.663 3.522 3.763 225 HD1 HIS 32 1HD HIS 32 1.895 0.021 3.836 226 HD2 HIS 32 2HD HIS 32 -1.690 2.070 4.198 227 HE1 HIS 32 1HE HIS 32 0.311 -1.603 4.866 228 HE2 HIS 32 2HE HIS 32 -1.897 -0.420 4.839 229 H CYS 33 H CYS 33 1.332 5.396 1.958 230 HA CYS 33 HA CYS 33 4.158 5.261 1.157 231 HB2 CYS 33 2HB CYS 33 2.221 7.564 1.382 232 HB3 CYS 33 1HB CYS 33 3.922 7.730 0.949 233 HG CYS 33 HG CYS 33 3.803 6.780 -1.446 234 H ILE 34 H ILE 34 5.734 5.689 2.619 235 HA ILE 34 HA ILE 34 4.974 6.779 5.203 236 HB ILE 34 HB ILE 34 6.191 5.078 6.480 237 HG12 ILE 34 2HG1 ILE 34 6.546 3.550 3.904 238 HG13 ILE 34 1HG1 ILE 34 7.793 4.550 4.645 239 HG21 ILE 34 1HG2 ILE 34 3.831 4.731 6.119 240 HG22 ILE 34 2HG2 ILE 34 4.721 3.232 6.292 241 HG23 ILE 34 3HG2 ILE 34 4.191 3.763 4.685 242 HD11 ILE 34 3HD1 ILE 34 6.486 2.173 5.942 243 HD12 ILE 34 1HD1 ILE 34 7.759 3.171 6.636 244 HD13 ILE 34 2HD1 ILE 34 8.089 2.194 5.205 245 H SER 35 H SER 35 7.089 7.028 6.575 246 HA SER 35 HA SER 35 8.880 8.474 4.838 247 HB2 SER 35 2HB SER 35 9.648 9.499 6.887 248 HB3 SER 35 1HB SER 35 7.919 9.667 6.683 249 HG SER 35 HG SER 35 7.592 8.547 8.509 250 H GLU 36 H GLU 36 11.250 8.310 5.281 251 HA GLU 36 HA GLU 36 11.938 5.552 5.311 252 HB2 GLU 36 2HB GLU 36 14.225 6.223 4.689 253 HB3 GLU 36 1HB GLU 36 13.029 7.034 3.716 254 HG2 GLU 36 2HG GLU 36 14.473 8.736 4.076 255 HG3 GLU 36 1HG GLU 36 13.424 8.926 5.477 256 H ASP 37 H ASP 37 11.967 7.969 7.665 257 HA ASP 37 HA ASP 37 13.579 6.538 9.603 258 HB2 ASP 37 2HB ASP 37 11.510 8.721 9.974 259 HB3 ASP 37 1HB ASP 37 12.330 7.916 11.302 260 H CYS 38 H CYS 38 10.507 6.100 8.316 261 HA CYS 38 HA CYS 38 8.812 4.729 8.695 262 HB2 CYS 38 2HB CYS 38 10.757 3.298 10.523 263 HB3 CYS 38 1HB CYS 38 9.217 2.648 9.959 264 HG CYS 38 HG CYS 38 11.578 3.645 7.738 265 H ARG 39 H ARG 39 9.437 7.017 10.517 266 HA ARG 39 HA ARG 39 8.039 6.466 12.962 267 HB2 ARG 39 2HB ARG 39 8.552 9.091 11.611 268 HB3 ARG 39 1HB ARG 39 7.965 8.895 13.254 269 HG2 ARG 39 2HG ARG 39 10.109 7.797 13.805 270 HG3 ARG 39 1HG ARG 39 10.643 8.133 12.149 271 HD2 ARG 39 2HD ARG 39 10.110 10.517 12.545 272 HD3 ARG 39 1HD ARG 39 9.787 10.080 14.224 273 HE ARG 39 HE ARG 39 12.387 9.252 13.481 274 HH11 ARG 39 1HH1 ARG 39 10.554 12.156 14.358 275 HH12 ARG 39 2HH1 ARG 39 11.907 13.056 14.849 276 HH21 ARG 39 1HH2 ARG 39 14.293 10.542 14.121 277 HH22 ARG 39 2HH2 ARG 39 14.062 12.126 14.703 278 H MET 40 H MET 40 5.937 5.666 12.553 279 HA MET 40 HA MET 40 4.285 7.586 11.151 280 HB2 MET 40 2HB MET 40 4.026 4.607 10.861 281 HB3 MET 40 1HB MET 40 2.712 5.698 10.488 282 HG2 MET 40 2HG MET 40 3.748 5.226 8.429 283 HG3 MET 40 1HG MET 40 4.274 6.842 8.864 284 HE1 MET 40 3HE MET 40 5.185 3.063 8.539 285 HE2 MET 40 1HE MET 40 5.547 3.346 10.240 286 HE3 MET 40 2HE MET 40 6.856 3.035 9.105 287 H GLY 41 H GLY 41 3.515 8.651 12.699 288 HA2 GLY 41 2HA GLY 41 1.721 7.255 14.565 289 HA3 GLY 41 1HA GLY 41 2.496 8.806 14.888 290 H ALA 42 H ALA 42 1.738 8.664 11.716 291 HA ALA 42 HA ALA 42 -0.939 9.767 11.979 292 HB1 ALA 42 1HB ALA 42 1.301 11.194 10.548 293 HB2 ALA 42 2HB ALA 42 0.593 11.700 12.082 294 HB3 ALA 42 3HB ALA 42 -0.379 11.710 10.608 295 H GLY 43 H GLY 43 -2.195 9.469 10.190 296 HA2 GLY 43 2HA GLY 43 -2.682 8.881 7.982 297 HA3 GLY 43 1HA GLY 43 -1.020 8.321 7.783 298 H ILE 44 H ILE 44 -2.816 6.640 6.853 299 HA ILE 44 HA ILE 44 -3.993 4.828 8.668 300 HB ILE 44 HB ILE 44 -4.593 4.947 6.256 301 HG12 ILE 44 2HG1 ILE 44 -3.601 2.193 6.963 302 HG13 ILE 44 1HG1 ILE 44 -5.043 2.891 7.714 303 HG21 ILE 44 1HG2 ILE 44 -1.923 3.587 5.865 304 HG22 ILE 44 2HG2 ILE 44 -2.352 5.199 5.315 305 HG23 ILE 44 3HG2 ILE 44 -3.138 3.788 4.604 306 HD11 ILE 44 3HD1 ILE 44 -5.629 1.410 5.980 307 HD12 ILE 44 1HD1 ILE 44 -4.568 2.243 4.825 308 HD13 ILE 44 2HD1 ILE 44 -5.994 3.065 5.479 309 H ALA 45 H ALA 45 -0.783 5.269 7.733 310 HA ALA 45 HA ALA 45 0.217 2.666 8.068 311 HB1 ALA 45 1HB ALA 45 1.412 4.401 6.809 312 HB2 ALA 45 2HB ALA 45 2.422 3.684 8.057 313 HB3 ALA 45 3HB ALA 45 1.698 5.272 8.309 314 H VAL 46 H VAL 46 -0.683 5.085 10.411 315 HA VAL 46 HA VAL 46 0.974 4.140 12.508 316 HB VAL 46 HB VAL 46 -0.204 6.338 12.602 317 HG11 VAL 46 1HG1 VAL 46 -2.700 4.767 13.148 318 HG12 VAL 46 2HG1 VAL 46 -2.367 5.784 11.746 319 HG13 VAL 46 3HG1 VAL 46 -2.523 6.512 13.345 320 HG21 VAL 46 3HG2 VAL 46 -0.767 6.311 14.990 321 HG22 VAL 46 1HG2 VAL 46 0.716 5.429 14.643 322 HG23 VAL 46 2HG2 VAL 46 -0.780 4.544 14.955 323 H LEU 47 H LEU 47 -2.150 3.304 11.381 324 HA LEU 47 HA LEU 47 -2.861 1.360 13.337 325 HB2 LEU 47 2HB LEU 47 -3.753 1.780 10.492 326 HB3 LEU 47 1HB LEU 47 -4.458 0.577 11.557 327 HG LEU 47 HG LEU 47 -4.439 3.508 12.282 328 HD11 LEU 47 1HD1 LEU 47 -5.637 3.175 10.121 329 HD12 LEU 47 2HD1 LEU 47 -6.706 3.643 11.438 330 HD13 LEU 47 3HD1 LEU 47 -6.653 1.966 10.898 331 HD21 LEU 47 3HD2 LEU 47 -6.118 1.167 13.122 332 HD22 LEU 47 1HD2 LEU 47 -6.254 2.805 13.762 333 HD23 LEU 47 2HD2 LEU 47 -4.807 1.841 14.092 334 H PHE 48 H PHE 48 -1.102 1.219 10.350 335 HA PHE 48 HA PHE 48 -0.879 -1.622 10.445 336 HB2 PHE 48 2HB PHE 48 0.302 0.413 8.605 337 HB3 PHE 48 1HB PHE 48 0.824 -1.272 8.564 338 HD1 PHE 48 2HD PHE 48 -2.193 0.872 8.349 339 HD2 PHE 48 1HD PHE 48 -0.387 -2.860 7.435 340 HE1 PHE 48 2HE PHE 48 -4.143 0.257 6.975 341 HE2 PHE 48 1HE PHE 48 -2.317 -3.470 6.063 342 HZ PHE 48 HZ PHE 48 -4.205 -1.898 5.842 343 H LYS 49 H LYS 49 1.171 0.995 11.504 344 HA LYS 49 HA LYS 49 3.280 -0.831 12.027 345 HB2 LYS 49 2HB LYS 49 4.430 0.958 13.204 346 HB3 LYS 49 1HB LYS 49 3.748 1.577 11.712 347 HG2 LYS 49 2HG LYS 49 3.417 3.286 13.262 348 HG3 LYS 49 1HG LYS 49 1.861 2.452 13.200 349 HD2 LYS 49 2HD LYS 49 2.395 1.235 15.210 350 HD3 LYS 49 1HD LYS 49 3.996 1.965 15.259 351 HE2 LYS 49 2HE LYS 49 2.935 4.192 15.486 352 HE3 LYS 49 1HE LYS 49 1.359 3.402 15.535 353 HZ1 LYS 49 3HZ LYS 49 2.179 3.909 17.746 354 HZ2 LYS 49 1HZ LYS 49 3.561 2.988 17.469 355 HZ3 LYS 49 2HZ LYS 49 2.065 2.236 17.550 356 H LYS 50 H LYS 50 0.531 0.181 13.688 357 HA LYS 50 HA LYS 50 1.128 -0.927 16.179 358 HB2 LYS 50 2HB LYS 50 -1.366 -0.111 14.841 359 HB3 LYS 50 1HB LYS 50 -1.430 -0.965 16.383 360 HG2 LYS 50 2HG LYS 50 -0.173 0.668 17.467 361 HG3 LYS 50 1HG LYS 50 0.303 1.426 15.947 362 HD2 LYS 50 2HD LYS 50 -1.339 2.671 17.156 363 HD3 LYS 50 1HD LYS 50 -1.860 2.092 15.550 364 HE2 LYS 50 2HE LYS 50 -3.256 0.432 16.501 365 HE3 LYS 50 1HE LYS 50 -2.612 0.695 18.139 366 HZ1 LYS 50 3HZ LYS 50 -3.692 2.843 18.129 367 HZ2 LYS 50 1HZ LYS 50 -4.817 1.649 17.798 368 HZ3 LYS 50 2HZ LYS 50 -4.238 2.617 16.549 369 H LYS 51 H LYS 51 -0.923 -2.192 13.468 370 HA LYS 51 HA LYS 51 -1.230 -4.720 14.777 371 HB2 LYS 51 2HB LYS 51 -2.205 -3.690 12.167 372 HB3 LYS 51 1HB LYS 51 -2.575 -5.294 12.793 373 HG2 LYS 51 2HG LYS 51 -3.632 -4.175 14.738 374 HG3 LYS 51 1HG LYS 51 -3.346 -2.622 13.938 375 HD2 LYS 51 2HD LYS 51 -4.537 -3.425 12.000 376 HD3 LYS 51 1HD LYS 51 -4.893 -4.935 12.831 377 HE2 LYS 51 2HE LYS 51 -5.839 -2.172 13.607 378 HE3 LYS 51 1HE LYS 51 -6.830 -3.476 12.967 379 HZ1 LYS 51 3HZ LYS 51 -6.220 -4.778 14.975 380 HZ2 LYS 51 1HZ LYS 51 -7.142 -3.426 15.320 381 HZ3 LYS 51 2HZ LYS 51 -5.481 -3.409 15.614 382 H PHE 52 H PHE 52 0.410 -3.550 11.884 383 HA PHE 52 HA PHE 52 1.315 -6.237 11.184 384 HB2 PHE 52 2HB PHE 52 1.231 -3.632 9.637 385 HB3 PHE 52 1HB PHE 52 1.962 -5.103 9.017 386 HD1 PHE 52 1HD PHE 52 -1.234 -4.075 10.599 387 HD2 PHE 52 2HD PHE 52 0.675 -6.270 7.546 388 HE1 PHE 52 1HE PHE 52 -3.419 -4.740 9.756 389 HE2 PHE 52 2HE PHE 52 -1.496 -6.958 6.662 390 HZ PHE 52 HZ PHE 52 -3.578 -6.198 7.759 391 H GLY 53 H GLY 53 2.303 -4.358 13.279 392 HA2 GLY 53 2HA GLY 53 4.404 -2.746 12.969 393 HA3 GLY 53 1HA GLY 53 4.315 -3.862 14.311 394 H GLY 54 H GLY 54 5.736 -3.063 11.352 395 HA2 GLY 54 2HA GLY 54 7.877 -4.992 11.852 396 HA3 GLY 54 1HA GLY 54 7.194 -4.814 10.237 397 H VAL 55 H VAL 55 7.684 -2.315 12.596 398 HA VAL 55 HA VAL 55 8.736 -0.458 10.768 399 HB VAL 55 HB VAL 55 8.947 -0.490 13.792 400 HG11 VAL 55 1HG1 VAL 55 9.238 1.934 13.624 401 HG12 VAL 55 2HG1 VAL 55 9.218 1.810 11.866 402 HG13 VAL 55 3HG1 VAL 55 10.532 1.069 12.788 403 HG21 VAL 55 3HG2 VAL 55 6.973 0.974 13.734 404 HG22 VAL 55 1HG2 VAL 55 6.638 -0.611 13.039 405 HG23 VAL 55 2HG2 VAL 55 6.888 0.778 11.985 406 H GLN 56 H GLN 56 10.273 -2.574 13.154 407 HA GLN 56 HA GLN 56 12.896 -1.712 12.483 408 HB2 GLN 56 2HB GLN 56 11.765 -3.903 14.174 409 HB3 GLN 56 1HB GLN 56 13.459 -3.912 13.744 410 HG2 GLN 56 2HG GLN 56 13.167 -2.926 15.942 411 HG3 GLN 56 1HG GLN 56 13.740 -1.711 14.819 412 HE21 GLN 56 1HE2 GLN 56 10.388 -2.812 15.139 413 HE22 GLN 56 2HE2 GLN 56 9.780 -1.317 15.725 414 H GLU 57 H GLU 57 10.794 -4.172 11.262 415 HA GLU 57 HA GLU 57 12.780 -5.520 9.775 416 HB2 GLU 57 2HB GLU 57 9.858 -5.109 9.115 417 HB3 GLU 57 1HB GLU 57 10.914 -6.266 8.326 418 HG2 GLU 57 2HG GLU 57 11.201 -7.445 10.440 419 HG3 GLU 57 1HG GLU 57 10.148 -6.259 11.221 420 H LEU 58 H LEU 58 10.619 -2.852 9.019 421 HA LEU 58 HA LEU 58 11.483 -2.281 6.417 422 HB2 LEU 58 2HB LEU 58 10.427 -0.361 8.496 423 HB3 LEU 58 1HB LEU 58 10.451 -0.091 6.766 424 HG LEU 58 HG LEU 58 8.810 -2.186 8.198 425 HD11 LEU 58 1HD1 LEU 58 8.002 0.064 8.620 426 HD12 LEU 58 2HD1 LEU 58 6.898 -0.814 7.561 427 HD13 LEU 58 3HD1 LEU 58 7.988 0.395 6.887 428 HD21 LEU 58 3HD2 LEU 58 8.859 -1.391 5.292 429 HD22 LEU 58 1HD2 LEU 58 7.728 -2.522 6.034 430 HD23 LEU 58 2HD2 LEU 58 9.447 -2.916 5.959 431 H LEU 59 H LEU 59 12.491 -0.845 9.523 432 HA LEU 59 HA LEU 59 14.496 0.787 8.429 433 HB2 LEU 59 2HB LEU 59 14.137 -0.258 11.220 434 HB3 LEU 59 1HB LEU 59 15.445 0.820 10.779 435 HG LEU 59 HG LEU 59 12.494 1.477 10.564 436 HD11 LEU 59 1HD1 LEU 59 13.227 1.380 12.891 437 HD12 LEU 59 2HD1 LEU 59 12.951 3.055 12.376 438 HD13 LEU 59 3HD1 LEU 59 14.589 2.436 12.502 439 HD21 LEU 59 3HD2 LEU 59 14.941 3.184 10.099 440 HD22 LEU 59 1HD2 LEU 59 13.274 3.752 10.111 441 HD23 LEU 59 2HD2 LEU 59 13.804 2.631 8.866 442 H ASN 60 H ASN 60 14.624 -2.537 9.434 443 HA ASN 60 HA ASN 60 17.454 -2.608 9.013 444 HB2 ASN 60 2HB ASN 60 15.528 -4.851 9.495 445 HB3 ASN 60 1HB ASN 60 17.164 -5.192 8.946 446 HD21 ASN 60 1HD2 ASN 60 15.219 -4.005 11.545 447 HD22 ASN 60 2HD2 ASN 60 16.441 -4.021 12.761 448 H GLN 61 H GLN 61 14.799 -3.060 6.806 449 HA GLN 61 HA GLN 61 16.444 -4.046 4.684 450 HB2 GLN 61 2HB GLN 61 13.952 -2.333 4.508 451 HB3 GLN 61 1HB GLN 61 14.631 -3.333 3.232 452 HG2 GLN 61 2HG GLN 61 14.107 -5.327 4.475 453 HG3 GLN 61 1HG GLN 61 13.508 -4.351 5.819 454 HE21 GLN 61 1HE2 GLN 61 12.168 -6.298 4.316 455 HE22 GLN 61 2HE2 GLN 61 10.771 -5.562 3.612 456 H GLN 62 H GLN 62 15.612 -0.916 6.074 457 HA GLN 62 HA GLN 62 15.984 1.073 5.736 458 HB2 GLN 62 2HB GLN 62 18.169 0.113 6.560 459 HB3 GLN 62 1HB GLN 62 18.752 0.304 4.910 460 HG2 GLN 62 2HG GLN 62 18.201 2.645 4.987 461 HG3 GLN 62 1HG GLN 62 17.557 2.316 6.615 462 HE21 GLN 62 1HE2 GLN 62 18.941 2.195 8.336 463 HE22 GLN 62 2HE2 GLN 62 20.641 2.466 8.257 464 H LYS 63 H LYS 63 14.512 1.266 4.070 465 HA LYS 63 HA LYS 63 15.541 1.440 1.376 466 HB2 LYS 63 2HB LYS 63 12.786 1.718 2.532 467 HB3 LYS 63 1HB LYS 63 13.161 1.848 0.822 468 HG2 LYS 63 2HG LYS 63 13.746 -0.506 2.513 469 HG3 LYS 63 1HG LYS 63 12.256 -0.329 1.550 470 HD2 LYS 63 2HD LYS 63 13.731 -0.158 -0.473 471 HD3 LYS 63 1HD LYS 63 15.119 -0.466 0.574 472 HE2 LYS 63 2HE LYS 63 14.188 -2.637 1.181 473 HE3 LYS 63 1HE LYS 63 12.787 -2.329 0.162 474 HZ1 LYS 63 3HZ LYS 63 15.593 -2.570 -0.773 475 HZ2 LYS 63 1HZ LYS 63 14.284 -2.246 -1.765 476 HZ3 LYS 63 2HZ LYS 63 14.390 -3.728 -0.960 477 H LYS 64 H LYS 64 15.635 3.206 0.302 478 HA LYS 64 HA LYS 64 15.549 5.709 1.793 479 HB2 LYS 64 2HB LYS 64 16.861 4.944 -0.789 480 HB3 LYS 64 1HB LYS 64 16.619 6.626 -0.365 481 HG2 LYS 64 2HG LYS 64 18.865 5.902 0.195 482 HG3 LYS 64 1HG LYS 64 17.957 6.325 1.649 483 HD2 LYS 64 2HD LYS 64 19.222 4.366 2.117 484 HD3 LYS 64 1HD LYS 64 17.508 3.945 1.938 485 HE2 LYS 64 2HE LYS 64 17.889 3.100 -0.289 486 HE3 LYS 64 1HE LYS 64 19.574 3.617 -0.242 487 HZ1 LYS 64 3HZ LYS 64 19.979 2.032 1.507 488 HZ2 LYS 64 1HZ LYS 64 19.309 1.229 0.183 489 HZ3 LYS 64 2HZ LYS 64 18.365 1.565 1.535 490 H SER 65 H SER 65 14.984 7.575 0.478 491 HA SER 65 HA SER 65 12.227 7.483 -0.152 492 HB2 SER 65 2HB SER 65 14.233 9.636 -0.890 493 HB3 SER 65 1HB SER 65 12.480 9.824 -0.870 494 HG SER 65 HG SER 65 13.970 9.051 1.418 495 H GLY 66 H GLY 66 11.314 6.620 -1.865 496 HA2 GLY 66 2HA GLY 66 10.983 6.648 -4.248 497 HA3 GLY 66 1HA GLY 66 12.730 6.774 -4.436 498 H GLU 67 H GLU 67 12.179 4.634 -1.962 499 HA GLU 67 HA GLU 67 12.162 2.364 -3.791 500 HB2 GLU 67 2HB GLU 67 13.480 2.566 -1.086 501 HB3 GLU 67 1HB GLU 67 13.447 1.140 -2.114 502 HG2 GLU 67 2HG GLU 67 14.722 2.440 -3.806 503 HG3 GLU 67 1HG GLU 67 14.863 3.737 -2.616 504 H VAL 68 H VAL 68 11.345 0.398 -2.727 505 HA VAL 68 HA VAL 68 9.098 1.109 -0.985 506 HB VAL 68 HB VAL 68 8.364 0.656 -3.321 507 HG11 VAL 68 1HG1 VAL 68 10.037 -0.999 -3.933 508 HG12 VAL 68 2HG1 VAL 68 8.408 -1.610 -4.224 509 HG13 VAL 68 3HG1 VAL 68 9.327 -2.153 -2.815 510 HG21 VAL 68 3HG2 VAL 68 6.568 -0.816 -2.791 511 HG22 VAL 68 1HG2 VAL 68 6.895 0.268 -1.411 512 HG23 VAL 68 2HG2 VAL 68 7.426 -1.417 -1.368 513 H ALA 69 H ALA 69 8.798 -0.085 0.749 514 HA ALA 69 HA ALA 69 10.567 -2.361 1.225 515 HB1 ALA 69 1HB ALA 69 10.598 -0.565 2.875 516 HB2 ALA 69 2HB ALA 69 9.931 -2.036 3.575 517 HB3 ALA 69 3HB ALA 69 8.860 -0.718 3.099 518 H VAL 70 H VAL 70 9.655 -4.403 1.868 519 HA VAL 70 HA VAL 70 6.753 -4.640 1.373 520 HB VAL 70 HB VAL 70 8.811 -6.623 0.395 521 HG11 VAL 70 1HG1 VAL 70 5.850 -6.493 -0.126 522 HG12 VAL 70 2HG1 VAL 70 6.693 -7.670 0.882 523 HG13 VAL 70 3HG1 VAL 70 6.969 -7.640 -0.858 524 HG21 VAL 70 3HG2 VAL 70 7.275 -4.594 -1.244 525 HG22 VAL 70 1HG2 VAL 70 8.288 -5.875 -1.907 526 HG23 VAL 70 2HG2 VAL 70 9.012 -4.587 -0.940 527 H LEU 71 H LEU 71 5.702 -5.897 2.747 528 HA LEU 71 HA LEU 71 7.166 -7.771 4.514 529 HB2 LEU 71 2HB LEU 71 4.712 -6.151 5.260 530 HB3 LEU 71 1HB LEU 71 5.492 -7.313 6.268 531 HG LEU 71 HG LEU 71 6.665 -4.649 5.438 532 HD11 LEU 71 1HD1 LEU 71 6.489 -4.094 7.799 533 HD12 LEU 71 2HD1 LEU 71 5.799 -5.677 8.129 534 HD13 LEU 71 3HD1 LEU 71 4.897 -4.519 7.156 535 HD21 LEU 71 3HD2 LEU 71 8.455 -6.308 5.615 536 HD22 LEU 71 1HD2 LEU 71 7.860 -6.794 7.208 537 HD23 LEU 71 2HD2 LEU 71 8.509 -5.175 6.967 538 H LYS 72 H LYS 72 6.154 -9.791 4.757 539 HA LYS 72 HA LYS 72 3.640 -10.069 3.286 540 HB2 LYS 72 2HB LYS 72 5.472 -11.408 2.404 541 HB3 LYS 72 1HB LYS 72 5.618 -12.233 3.977 542 HG2 LYS 72 2HG LYS 72 3.314 -13.076 3.679 543 HG3 LYS 72 1HG LYS 72 3.249 -12.300 2.097 544 HD2 LYS 72 2HD LYS 72 5.167 -13.695 1.378 545 HD3 LYS 72 1HD LYS 72 5.136 -14.502 2.944 546 HE2 LYS 72 2HE LYS 72 2.916 -14.486 0.894 547 HE3 LYS 72 1HE LYS 72 3.988 -15.835 1.254 548 HZ1 LYS 72 3HZ LYS 72 1.851 -16.085 2.317 549 HZ2 LYS 72 1HZ LYS 72 2.015 -14.634 3.136 550 HZ3 LYS 72 2HZ LYS 72 3.025 -15.940 3.494 551 H ARG 73 H ARG 73 2.083 -10.262 4.432 552 HA ARG 73 HA ARG 73 2.372 -10.787 7.346 553 HB2 ARG 73 2HB ARG 73 1.393 -8.606 6.430 554 HB3 ARG 73 1HB ARG 73 0.020 -9.589 5.952 555 HG2 ARG 73 2HG ARG 73 0.957 -9.348 8.825 556 HG3 ARG 73 1HG ARG 73 -0.232 -8.274 8.122 557 HD2 ARG 73 2HD ARG 73 -1.700 -10.192 7.710 558 HD3 ARG 73 1HD ARG 73 -0.489 -11.266 8.405 559 HE ARG 73 HE ARG 73 -0.821 -9.578 10.396 560 HH11 ARG 73 1HH1 ARG 73 -3.269 -11.221 8.422 561 HH12 ARG 73 2HH1 ARG 73 -4.440 -11.252 9.639 562 HH21 ARG 73 1HH2 ARG 73 -2.450 -9.652 12.098 563 HH22 ARG 73 2HH2 ARG 73 -3.974 -10.330 11.771 564 H ASP 74 H ASP 74 0.546 -11.654 4.538 565 HA ASP 74 HA ASP 74 -0.405 -14.112 5.724 566 HB2 ASP 74 2HB ASP 74 -1.952 -12.126 6.415 567 HB3 ASP 74 1HB ASP 74 -2.375 -12.025 4.715 568 H GLY 75 H GLY 75 -2.516 -13.996 3.543 569 HA2 GLY 75 2HA GLY 75 -0.841 -14.702 1.332 570 HA3 GLY 75 1HA GLY 75 -2.599 -14.679 1.350 571 H ARG 76 H ARG 76 -0.980 -11.761 2.365 572 HA ARG 76 HA ARG 76 -1.156 -10.624 -0.297 573 HB2 ARG 76 2HB ARG 76 -2.069 -8.555 0.751 574 HB3 ARG 76 1HB ARG 76 -3.200 -9.907 0.754 575 HG2 ARG 76 2HG ARG 76 -2.793 -10.294 3.075 576 HG3 ARG 76 1HG ARG 76 -1.490 -9.110 3.092 577 HD2 ARG 76 2HD ARG 76 -3.557 -8.249 4.069 578 HD3 ARG 76 1HD ARG 76 -3.030 -7.337 2.653 579 HE ARG 76 HE ARG 76 -4.750 -8.491 1.383 580 HH11 ARG 76 1HH1 ARG 76 -5.096 -8.576 4.922 581 HH12 ARG 76 2HH1 ARG 76 -6.801 -8.683 4.881 582 HH21 ARG 76 1HH2 ARG 76 -7.129 -8.624 1.382 583 HH22 ARG 76 2HH2 ARG 76 -7.938 -8.743 2.862 584 H TYR 77 H TYR 77 0.259 -8.895 -0.599 585 HA TYR 77 HA TYR 77 2.498 -8.853 1.270 586 HB2 TYR 77 2HB TYR 77 2.277 -7.822 -1.572 587 HB3 TYR 77 1HB TYR 77 3.730 -7.765 -0.584 588 HD1 TYR 77 1HD TYR 77 4.991 -9.777 -0.108 589 HD2 TYR 77 2HD TYR 77 1.502 -9.911 -2.528 590 HE1 TYR 77 1HE TYR 77 5.614 -12.016 -0.860 591 HE2 TYR 77 2HE TYR 77 2.111 -12.165 -3.298 592 HH TYR 77 HH TYR 77 4.067 -13.558 -3.493 593 H ILE 78 H ILE 78 3.166 -6.986 2.231 594 HA ILE 78 HA ILE 78 1.275 -4.747 2.056 595 HB ILE 78 HB ILE 78 3.340 -5.164 4.230 596 HG12 ILE 78 2HG1 ILE 78 1.943 -7.206 4.177 597 HG13 ILE 78 1HG1 ILE 78 1.646 -6.248 5.622 598 HG21 ILE 78 1HG2 ILE 78 0.692 -3.737 4.126 599 HG22 ILE 78 2HG2 ILE 78 2.282 -2.970 4.042 600 HG23 ILE 78 3HG2 ILE 78 1.765 -3.792 5.523 601 HD11 ILE 78 3HD1 ILE 78 -0.388 -5.383 4.606 602 HD12 ILE 78 1HD1 ILE 78 -0.372 -7.158 4.711 603 HD13 ILE 78 2HD1 ILE 78 -0.052 -6.354 3.162 604 H TYR 79 H TYR 79 2.060 -3.031 1.045 605 HA TYR 79 HA TYR 79 4.948 -2.818 0.663 606 HB2 TYR 79 2HB TYR 79 2.689 -1.625 -0.925 607 HB3 TYR 79 1HB TYR 79 4.386 -1.258 -1.190 608 HD1 TYR 79 1HD TYR 79 1.790 -3.833 -1.449 609 HD2 TYR 79 2HD TYR 79 5.834 -2.820 -2.232 610 HE1 TYR 79 1HE TYR 79 1.984 -5.781 -2.904 611 HE2 TYR 79 2HE TYR 79 6.050 -4.759 -3.691 612 HH TYR 79 HH TYR 79 3.399 -6.551 -4.754 613 H TYR 80 H TYR 80 6.028 -1.110 1.157 614 HA TYR 80 HA TYR 80 4.627 1.177 2.270 615 HB2 TYR 80 2HB TYR 80 7.081 -0.195 3.343 616 HB3 TYR 80 1HB TYR 80 6.562 1.408 3.865 617 HD1 TYR 80 1HD TYR 80 4.538 1.649 5.189 618 HD2 TYR 80 2HD TYR 80 5.952 -2.176 4.032 619 HE1 TYR 80 1HE TYR 80 3.048 0.607 6.851 620 HE2 TYR 80 2HE TYR 80 4.481 -3.233 5.677 621 HH TYR 80 HH TYR 80 3.314 -2.659 7.742 622 H LEU 81 H LEU 81 4.825 2.537 0.713 623 HA LEU 81 HA LEU 81 7.104 2.746 -1.024 624 HB2 LEU 81 2HB LEU 81 4.720 4.542 -0.595 625 HB3 LEU 81 1HB LEU 81 5.795 4.621 -1.956 626 HG LEU 81 HG LEU 81 3.876 2.371 -1.317 627 HD11 LEU 81 1HD1 LEU 81 2.751 4.384 -2.063 628 HD12 LEU 81 2HD1 LEU 81 2.687 3.136 -3.310 629 HD13 LEU 81 3HD1 LEU 81 3.817 4.478 -3.463 630 HD21 LEU 81 3HD2 LEU 81 5.601 2.731 -3.775 631 HD22 LEU 81 1HD2 LEU 81 4.464 1.431 -3.452 632 HD23 LEU 81 2HD2 LEU 81 5.908 1.580 -2.468 633 H ILE 82 H ILE 82 8.907 3.837 -0.346 634 HA ILE 82 HA ILE 82 8.619 5.655 1.890 635 HB ILE 82 HB ILE 82 11.132 5.093 0.279 636 HG12 ILE 82 2HG1 ILE 82 10.320 3.024 1.360 637 HG13 ILE 82 1HG1 ILE 82 11.799 3.604 2.111 638 HG21 ILE 82 1HG2 ILE 82 12.273 6.043 2.211 639 HG22 ILE 82 2HG2 ILE 82 10.706 6.307 2.997 640 HG23 ILE 82 3HG2 ILE 82 11.116 7.209 1.543 641 HD11 ILE 82 3HD1 ILE 82 10.463 4.534 3.964 642 HD12 ILE 82 1HD1 ILE 82 10.235 2.795 3.784 643 HD13 ILE 82 2HD1 ILE 82 9.006 3.916 3.209 644 H THR 83 H THR 83 7.564 7.377 1.311 645 HA THR 83 HA THR 83 8.107 8.561 -1.264 646 HB THR 83 HB THR 83 5.828 9.034 0.642 647 HG1 THR 83 1HG THR 83 6.534 6.941 -0.918 648 HG21 THR 83 3HG2 THR 83 6.166 10.732 -1.096 649 HG22 THR 83 1HG2 THR 83 4.701 9.763 -1.353 650 HG23 THR 83 2HG2 THR 83 6.158 9.430 -2.309 651 H LYS 84 H LYS 84 8.411 9.366 2.322 652 HA LYS 84 HA LYS 84 9.721 11.688 1.443 653 HB2 LYS 84 2HB LYS 84 8.673 12.994 3.210 654 HB3 LYS 84 1HB LYS 84 7.494 12.477 2.042 655 HG2 LYS 84 2HG LYS 84 7.867 11.077 4.693 656 HG3 LYS 84 1HG LYS 84 6.797 12.456 4.493 657 HD2 LYS 84 2HD LYS 84 5.529 11.136 2.785 658 HD3 LYS 84 1HD LYS 84 6.570 9.753 3.137 659 HE2 LYS 84 2HE LYS 84 5.828 9.736 5.455 660 HE3 LYS 84 1HE LYS 84 4.877 11.191 5.189 661 HZ1 LYS 84 3HZ LYS 84 3.453 9.936 3.681 662 HZ2 LYS 84 1HZ LYS 84 3.486 9.245 5.196 663 HZ3 LYS 84 2HZ LYS 84 4.333 8.522 3.932 664 H LYS 85 H LYS 85 11.354 12.209 2.866 665 HA LYS 85 HA LYS 85 12.525 10.020 4.174 666 HB2 LYS 85 2HB LYS 85 13.957 11.691 3.224 667 HB3 LYS 85 1HB LYS 85 13.235 12.950 4.213 668 HG2 LYS 85 2HG LYS 85 14.222 12.147 6.156 669 HG3 LYS 85 1HG LYS 85 14.777 10.639 5.391 670 HD2 LYS 85 2HD LYS 85 16.243 12.020 3.970 671 HD3 LYS 85 1HD LYS 85 15.675 13.456 4.828 672 HE2 LYS 85 2HE LYS 85 17.816 12.724 5.713 673 HE3 LYS 85 1HE LYS 85 16.549 12.562 6.920 674 HZ1 LYS 85 3HZ LYS 85 18.027 10.627 6.874 675 HZ2 LYS 85 1HZ LYS 85 17.639 10.340 5.269 676 HZ3 LYS 85 2HZ LYS 85 16.468 10.148 6.470 677 H ARG 86 H ARG 86 11.536 13.056 5.713 678 HA ARG 86 HA ARG 86 11.479 11.700 8.310 679 HB2 ARG 86 2HB ARG 86 10.861 14.585 7.650 680 HB3 ARG 86 1HB ARG 86 11.087 13.921 9.256 681 HG2 ARG 86 2HG ARG 86 13.197 14.124 7.116 682 HG3 ARG 86 1HG ARG 86 13.029 15.181 8.519 683 HD2 ARG 86 2HD ARG 86 13.299 13.340 9.955 684 HD3 ARG 86 1HD ARG 86 13.467 12.243 8.572 685 HE ARG 86 HE ARG 86 15.345 14.383 8.490 686 HH11 ARG 86 1HH1 ARG 86 14.790 11.105 9.744 687 HH12 ARG 86 2HH1 ARG 86 16.400 10.857 10.202 688 HH21 ARG 86 1HH2 ARG 86 17.642 13.978 9.109 689 HH22 ARG 86 2HH2 ARG 86 18.017 12.486 9.844 690 H ALA 87 H ALA 87 9.587 11.992 9.727 691 HA ALA 87 HA ALA 87 7.185 11.267 8.379 692 HB1 ALA 87 1HB ALA 87 7.689 10.371 10.548 693 HB2 ALA 87 2HB ALA 87 6.185 11.274 10.611 694 HB3 ALA 87 3HB ALA 87 7.662 11.984 11.274 695 H SER 88 H SER 88 8.529 14.182 9.636 696 HA SER 88 HA SER 88 6.103 15.687 9.332 697 HB2 SER 88 2HB SER 88 8.946 16.624 9.772 698 HB3 SER 88 1HB SER 88 7.491 17.607 9.949 699 HG SER 88 HG SER 88 7.164 15.411 11.388 700 H HIS 89 H HIS 89 8.079 14.332 7.060 701 HA HIS 89 HA HIS 89 8.248 16.617 5.336 702 HB2 HIS 89 2HB HIS 89 9.185 13.766 4.941 703 HB3 HIS 89 1HB HIS 89 9.065 14.859 3.613 704 HD1 HIS 89 1HD HIS 89 11.729 14.529 3.439 705 HD2 HIS 89 2HD HIS 89 10.360 16.587 6.759 706 HE1 HIS 89 1HE HIS 89 13.754 15.558 4.452 707 HE2 HIS 89 2HE HIS 89 12.827 17.140 6.162 708 H LYS 90 H LYS 90 7.379 16.749 3.393 709 HA LYS 90 HA LYS 90 4.710 15.605 3.188 710 HB2 LYS 90 2HB LYS 90 4.341 17.230 1.389 711 HB3 LYS 90 1HB LYS 90 5.005 18.040 2.798 712 HG2 LYS 90 2HG LYS 90 7.217 18.064 1.728 713 HG3 LYS 90 1HG LYS 90 6.536 17.250 0.320 714 HD2 LYS 90 2HD LYS 90 5.010 19.154 -0.007 715 HD3 LYS 90 1HD LYS 90 5.754 19.966 1.370 716 HE2 LYS 90 2HE LYS 90 7.147 19.156 -1.183 717 HE3 LYS 90 1HE LYS 90 6.650 20.787 -0.752 718 HZ1 LYS 90 3HZ LYS 90 8.987 20.471 -0.326 719 HZ2 LYS 90 1HZ LYS 90 8.719 19.152 0.643 720 HZ3 LYS 90 2HZ LYS 90 8.218 20.676 1.155 721 HA PRO 91 HA PRO 91 5.944 12.544 0.162 722 HB2 PRO 91 2HB PRO 91 3.489 13.173 -1.365 723 HB3 PRO 91 1HB PRO 91 3.968 11.652 -0.614 724 HG2 PRO 91 2HG PRO 91 1.992 13.160 0.396 725 HG3 PRO 91 1HG PRO 91 3.079 12.222 1.429 726 HD2 PRO 91 2HD PRO 91 3.069 15.150 0.861 727 HD3 PRO 91 1HD PRO 91 3.412 14.287 2.372 728 H THR 92 H THR 92 6.973 12.539 -1.965 729 HA THR 92 HA THR 92 6.885 15.166 -3.208 730 HB THR 92 HB THR 92 9.173 14.358 -4.125 731 HG1 THR 92 1HG THR 92 9.034 12.634 -1.965 732 HG21 THR 92 3HG2 THR 92 10.371 15.014 -2.106 733 HG22 THR 92 1HG2 THR 92 8.911 14.775 -1.146 734 HG23 THR 92 2HG2 THR 92 8.979 16.071 -2.342 735 H TYR 93 H TYR 93 6.931 15.129 -5.487 736 HA TYR 93 HA TYR 93 5.336 13.076 -6.541 737 HB2 TYR 93 2HB TYR 93 6.639 15.497 -7.730 738 HB3 TYR 93 1HB TYR 93 5.781 14.330 -8.735 739 HD1 TYR 93 1HD TYR 93 5.366 16.706 -5.891 740 HD2 TYR 93 2HD TYR 93 3.472 14.312 -8.837 741 HE1 TYR 93 1HE TYR 93 3.170 17.784 -5.388 742 HE2 TYR 93 2HE TYR 93 1.352 15.359 -8.352 743 HH TYR 93 HH TYR 93 1.155 18.197 -6.539 744 H GLU 94 H GLU 94 8.728 13.869 -6.640 745 HA GLU 94 HA GLU 94 9.434 12.165 -8.781 746 HB2 GLU 94 2HB GLU 94 10.833 14.019 -8.190 747 HB3 GLU 94 1HB GLU 94 11.034 13.407 -6.553 748 HG2 GLU 94 2HG GLU 94 12.161 11.455 -7.427 749 HG3 GLU 94 1HG GLU 94 12.012 12.093 -9.063 750 H ASN 95 H ASN 95 9.659 11.927 -5.279 751 HA ASN 95 HA ASN 95 10.801 9.347 -5.432 752 HB2 ASN 95 2HB ASN 95 9.770 10.982 -3.167 753 HB3 ASN 95 1HB ASN 95 10.496 9.388 -2.867 754 HD21 ASN 95 1HD2 ASN 95 10.924 12.688 -3.393 755 HD22 ASN 95 2HD2 ASN 95 12.640 12.785 -3.425 756 H LEU 96 H LEU 96 7.510 10.587 -4.973 757 HA LEU 96 HA LEU 96 6.338 8.152 -4.348 758 HB2 LEU 96 2HB LEU 96 5.189 10.345 -4.294 759 HB3 LEU 96 1HB LEU 96 5.207 10.381 -6.041 760 HG LEU 96 HG LEU 96 3.697 8.446 -6.107 761 HD11 LEU 96 1HD1 LEU 96 4.381 7.355 -4.027 762 HD12 LEU 96 2HD1 LEU 96 2.644 7.650 -4.048 763 HD13 LEU 96 3HD1 LEU 96 3.702 8.690 -3.098 764 HD21 LEU 96 3HD2 LEU 96 2.744 10.671 -6.118 765 HD22 LEU 96 1HD2 LEU 96 2.785 10.711 -4.356 766 HD23 LEU 96 2HD2 LEU 96 1.725 9.569 -5.181 767 H GLN 97 H GLN 97 7.066 9.558 -7.615 768 HA GLN 97 HA GLN 97 5.984 7.601 -9.238 769 HB2 GLN 97 2HB GLN 97 8.538 9.153 -9.552 770 HB3 GLN 97 1HB GLN 97 7.825 8.154 -10.805 771 HG2 GLN 97 2HG GLN 97 5.874 9.528 -10.802 772 HG3 GLN 97 1HG GLN 97 6.590 10.489 -9.483 773 HE21 GLN 97 1HE2 GLN 97 6.818 9.668 -12.864 774 HE22 GLN 97 2HE2 GLN 97 7.826 10.982 -13.329 775 H LYS 98 H LYS 98 9.164 7.818 -7.908 776 HA LYS 98 HA LYS 98 10.126 5.392 -8.966 777 HB2 LYS 98 2HB LYS 98 11.098 6.880 -6.540 778 HB3 LYS 98 1HB LYS 98 11.966 5.562 -7.313 779 HG2 LYS 98 2HG LYS 98 12.064 6.886 -9.388 780 HG3 LYS 98 1HG LYS 98 11.278 8.217 -8.539 781 HD2 LYS 98 2HD LYS 98 13.133 8.305 -6.960 782 HD3 LYS 98 1HD LYS 98 13.920 6.967 -7.801 783 HE2 LYS 98 2HE LYS 98 14.002 8.341 -9.846 784 HE3 LYS 98 1HE LYS 98 13.278 9.676 -8.953 785 HZ1 LYS 98 3HZ LYS 98 15.641 9.949 -9.045 786 HZ2 LYS 98 1HZ LYS 98 15.897 8.410 -8.399 787 HZ3 LYS 98 2HZ LYS 98 15.209 9.605 -7.452 788 H SER 99 H SER 99 8.428 6.063 -5.996 789 HA SER 99 HA SER 99 8.778 3.520 -4.806 790 HB2 SER 99 2HB SER 99 6.521 5.518 -4.459 791 HB3 SER 99 1HB SER 99 6.905 4.142 -3.412 792 HG SER 99 HG SER 99 8.499 6.438 -3.892 793 H LEU 100 H LEU 100 6.154 4.883 -6.858 794 HA LEU 100 HA LEU 100 4.577 2.543 -7.093 795 HB2 LEU 100 2HB LEU 100 4.982 4.997 -8.817 796 HB3 LEU 100 1HB LEU 100 3.949 3.695 -9.337 797 HG LEU 100 HG LEU 100 2.874 5.742 -8.343 798 HD11 LEU 100 1HD1 LEU 100 1.169 4.420 -7.103 799 HD12 LEU 100 2HD1 LEU 100 2.263 3.033 -7.163 800 HD13 LEU 100 3HD1 LEU 100 1.620 3.731 -8.656 801 HD21 LEU 100 3HD2 LEU 100 2.626 5.827 -5.905 802 HD22 LEU 100 1HD2 LEU 100 4.294 6.082 -6.415 803 HD23 LEU 100 2HD2 LEU 100 3.807 4.523 -5.755 804 H GLU 101 H GLU 101 7.360 3.650 -8.992 805 HA GLU 101 HA GLU 101 7.277 1.597 -10.941 806 HB2 GLU 101 2HB GLU 101 9.723 2.955 -9.817 807 HB3 GLU 101 1HB GLU 101 9.646 2.054 -11.322 808 HG2 GLU 101 2HG GLU 101 8.032 3.652 -12.120 809 HG3 GLU 101 1HG GLU 101 8.268 4.623 -10.675 810 H ALA 102 H ALA 102 9.100 1.918 -8.048 811 HA ALA 102 HA ALA 102 10.369 -0.591 -7.979 812 HB1 ALA 102 1HB ALA 102 10.893 1.318 -6.454 813 HB2 ALA 102 2HB ALA 102 10.743 -0.233 -5.625 814 HB3 ALA 102 3HB ALA 102 9.427 0.938 -5.556 815 H MET 103 H MET 103 7.285 0.411 -6.596 816 HA MET 103 HA MET 103 6.589 -2.017 -5.482 817 HB2 MET 103 2HB MET 103 5.507 -0.053 -4.734 818 HB3 MET 103 1HB MET 103 4.990 0.371 -6.356 819 HG2 MET 103 2HG MET 103 3.461 -1.201 -6.437 820 HG3 MET 103 1HG MET 103 4.021 -2.120 -4.996 821 HE1 MET 103 3HE MET 103 3.375 1.725 -5.673 822 HE2 MET 103 1HE MET 103 1.717 1.892 -5.104 823 HE3 MET 103 2HE MET 103 2.070 0.882 -6.509 824 H LYS 104 H LYS 104 5.820 -0.690 -8.739 825 HA LYS 104 HA LYS 104 4.306 -2.950 -9.382 826 HB2 LYS 104 2HB LYS 104 4.219 -2.052 -11.647 827 HB3 LYS 104 1HB LYS 104 3.912 -0.826 -10.448 828 HG2 LYS 104 2HG LYS 104 5.081 0.227 -12.032 829 HG3 LYS 104 1HG LYS 104 6.310 -0.132 -10.817 830 HD2 LYS 104 2HD LYS 104 7.114 -1.984 -12.171 831 HD3 LYS 104 1HD LYS 104 5.776 -1.699 -13.310 832 HE2 LYS 104 2HE LYS 104 6.615 0.442 -13.861 833 HE3 LYS 104 1HE LYS 104 7.942 0.310 -12.693 834 HZ1 LYS 104 3HZ LYS 104 8.694 -0.114 -14.915 835 HZ2 LYS 104 1HZ LYS 104 7.520 -1.280 -15.160 836 HZ3 LYS 104 2HZ LYS 104 8.768 -1.574 -14.071 837 H SER 105 H SER 105 7.669 -2.188 -9.677 838 HA SER 105 HA SER 105 8.501 -4.231 -11.377 839 HB2 SER 105 2HB SER 105 9.924 -2.326 -10.642 840 HB3 SER 105 1HB SER 105 9.966 -3.001 -9.022 841 HG SER 105 HG SER 105 10.972 -4.162 -11.392 842 H HIS 106 H HIS 106 8.041 -4.194 -7.863 843 HA HIS 106 HA HIS 106 8.842 -6.942 -7.444 844 HB2 HIS 106 2HB HIS 106 8.882 -5.275 -5.621 845 HB3 HIS 106 1HB HIS 106 7.122 -5.158 -5.714 846 HD1 HIS 106 1HD HIS 106 6.022 -6.543 -3.938 847 HD2 HIS 106 2HD HIS 106 9.457 -8.216 -5.450 848 HE1 HIS 106 1HE HIS 106 6.304 -8.563 -2.610 849 HE2 HIS 106 2HE HIS 106 8.319 -9.722 -3.597 850 H CYS 107 H CYS 107 5.737 -5.367 -7.895 851 HA CYS 107 HA CYS 107 4.218 -7.637 -7.384 852 HB2 CYS 107 2HB CYS 107 3.674 -5.243 -9.080 853 HB3 CYS 107 1HB CYS 107 2.424 -6.424 -8.654 854 HG CYS 107 HG CYS 107 3.926 -4.045 -6.832 855 H LEU 108 H LEU 108 5.812 -6.529 -10.328 856 HA LEU 108 HA LEU 108 4.716 -8.349 -12.147 857 HB2 LEU 108 2HB LEU 108 7.463 -7.148 -12.023 858 HB3 LEU 108 1HB LEU 108 6.790 -7.981 -13.404 859 HG LEU 108 HG LEU 108 5.761 -5.413 -12.232 860 HD11 LEU 108 1HD1 LEU 108 7.271 -5.972 -14.772 861 HD12 LEU 108 2HD1 LEU 108 7.898 -5.186 -13.323 862 HD13 LEU 108 3HD1 LEU 108 6.619 -4.406 -14.262 863 HD21 LEU 108 3HD2 LEU 108 4.026 -6.767 -13.146 864 HD22 LEU 108 1HD2 LEU 108 4.927 -6.993 -14.647 865 HD23 LEU 108 2HD2 LEU 108 4.319 -5.381 -14.210 866 H LYS 109 H LYS 109 7.408 -8.593 -9.899 867 HA LYS 109 HA LYS 109 8.320 -11.074 -10.959 868 HB2 LYS 109 2HB LYS 109 8.873 -9.750 -8.320 869 HB3 LYS 109 1HB LYS 109 9.728 -11.155 -8.956 870 HG2 LYS 109 2HG LYS 109 10.366 -9.877 -10.865 871 HG3 LYS 109 1HG LYS 109 9.583 -8.451 -10.209 872 HD2 LYS 109 2HD LYS 109 11.077 -8.507 -8.257 873 HD3 LYS 109 1HD LYS 109 11.888 -9.928 -8.921 874 HE2 LYS 109 2HE LYS 109 13.150 -7.867 -9.371 875 HE3 LYS 109 1HE LYS 109 12.616 -8.658 -10.853 876 HZ1 LYS 109 3HZ LYS 109 12.254 -6.274 -10.954 877 HZ2 LYS 109 1HZ LYS 109 11.293 -6.322 -9.574 878 HZ3 LYS 109 2HZ LYS 109 10.784 -7.087 -10.984 879 H ASN 110 H ASN 110 6.231 -10.118 -8.463 880 HA ASN 110 HA ASN 110 6.061 -12.863 -7.415 881 HB2 ASN 110 2HB ASN 110 4.831 -10.347 -6.302 882 HB3 ASN 110 1HB ASN 110 4.577 -11.943 -5.622 883 HD21 ASN 110 1HD2 ASN 110 7.610 -10.823 -6.974 884 HD22 ASN 110 2HD2 ASN 110 8.504 -10.792 -5.521 885 H GLY 111 H GLY 111 4.203 -10.894 -9.490 886 HA2 GLY 111 2HA GLY 111 2.367 -11.668 -10.729 887 HA3 GLY 111 1HA GLY 111 2.258 -13.035 -9.629 888 H VAL 112 H VAL 112 2.340 -9.610 -8.930 889 HA VAL 112 HA VAL 112 -0.204 -9.910 -7.516 890 HB VAL 112 HB VAL 112 1.962 -7.811 -7.144 891 HG11 VAL 112 1HG1 VAL 112 -0.253 -6.920 -6.684 892 HG12 VAL 112 2HG1 VAL 112 0.667 -7.103 -5.186 893 HG13 VAL 112 3HG1 VAL 112 -0.590 -8.272 -5.602 894 HG21 VAL 112 3HG2 VAL 112 2.344 -8.891 -4.976 895 HG22 VAL 112 1HG2 VAL 112 2.633 -10.004 -6.322 896 HG23 VAL 112 2HG2 VAL 112 1.139 -10.115 -5.395 897 H THR 113 H THR 113 -1.868 -9.005 -8.417 898 HA THR 113 HA THR 113 -1.485 -6.707 -10.186 899 HB THR 113 HB THR 113 -1.803 -8.603 -11.635 900 HG1 THR 113 1HG THR 113 -2.920 -6.901 -12.405 901 HG21 THR 113 3HG2 THR 113 -2.755 -10.189 -10.067 902 HG22 THR 113 1HG2 THR 113 -3.773 -10.073 -11.504 903 HG23 THR 113 2HG2 THR 113 -4.257 -9.264 -10.013 904 H ASP 114 H ASP 114 -2.547 -7.419 -7.301 905 HA ASP 114 HA ASP 114 -4.930 -5.722 -7.516 906 HB2 ASP 114 2HB ASP 114 -4.656 -8.194 -5.769 907 HB3 ASP 114 1HB ASP 114 -5.996 -7.058 -5.719 908 H LEU 115 H LEU 115 -4.641 -3.995 -6.329 909 HA LEU 115 HA LEU 115 -3.081 -4.132 -3.857 910 HB2 LEU 115 2HB LEU 115 -2.644 -2.202 -6.119 911 HB3 LEU 115 1HB LEU 115 -2.058 -1.892 -4.504 912 HG LEU 115 HG LEU 115 -1.264 -4.289 -6.139 913 HD11 LEU 115 1HD1 LEU 115 0.856 -3.053 -6.494 914 HD12 LEU 115 2HD1 LEU 115 0.199 -1.669 -5.623 915 HD13 LEU 115 3HD1 LEU 115 -0.499 -2.147 -7.171 916 HD21 LEU 115 3HD2 LEU 115 0.506 -4.502 -4.484 917 HD22 LEU 115 1HD2 LEU 115 -1.079 -4.520 -3.713 918 HD23 LEU 115 2HD2 LEU 115 -0.093 -3.067 -3.646 919 H SER 116 H SER 116 -3.637 -2.732 -2.295 920 HA SER 116 HA SER 116 -5.923 -0.992 -2.773 921 HB2 SER 116 2HB SER 116 -6.610 -1.662 -0.418 922 HB3 SER 116 1HB SER 116 -6.796 -2.917 -1.654 923 HG SER 116 HG SER 116 -4.761 -3.747 -0.924 924 H MET 117 H MET 117 -5.757 1.030 -1.859 925 HA MET 117 HA MET 117 -3.919 1.611 0.256 926 HB2 MET 117 2HB MET 117 -2.491 3.170 -0.967 927 HB3 MET 117 1HB MET 117 -2.372 1.589 -1.695 928 HG2 MET 117 2HG MET 117 -3.990 2.315 -3.465 929 HG3 MET 117 1HG MET 117 -3.966 3.926 -2.756 930 HE1 MET 117 3HE MET 117 -0.371 1.891 -4.806 931 HE2 MET 117 1HE MET 117 -1.954 1.134 -4.622 932 HE3 MET 117 2HE MET 117 -0.942 1.424 -3.209 933 HA PRO 118 HA PRO 118 -6.912 4.977 0.246 934 HB2 PRO 118 2HB PRO 118 -6.137 6.251 2.443 935 HB3 PRO 118 1HB PRO 118 -6.697 4.580 2.547 936 HG2 PRO 118 2HG PRO 118 -3.936 5.652 2.736 937 HG3 PRO 118 1HG PRO 118 -4.669 4.220 3.484 938 HD2 PRO 118 2HD PRO 118 -3.079 4.323 1.100 939 HD3 PRO 118 1HD PRO 118 -3.873 2.911 1.824 940 H ARG 119 H ARG 119 -6.298 7.535 1.250 941 HA ARG 119 HA ARG 119 -5.018 8.734 -0.969 942 HB2 ARG 119 2HB ARG 119 -5.287 10.875 0.390 943 HB3 ARG 119 1HB ARG 119 -6.750 10.020 -0.084 944 HG2 ARG 119 2HG ARG 119 -6.934 9.089 2.162 945 HG3 ARG 119 1HG ARG 119 -5.444 9.915 2.628 946 HD2 ARG 119 2HD ARG 119 -6.444 12.047 2.332 947 HD3 ARG 119 1HD ARG 119 -7.863 11.334 1.567 948 HE ARG 119 HE ARG 119 -7.852 10.177 3.986 949 HH11 ARG 119 1HH1 ARG 119 -7.526 13.565 3.062 950 HH12 ARG 119 2HH1 ARG 119 -8.471 14.169 4.324 951 HH21 ARG 119 1HH2 ARG 119 -9.176 10.956 5.688 952 HH22 ARG 119 2HH2 ARG 119 -9.437 12.643 5.906 953 H ILE 120 H ILE 120 -3.049 8.004 -1.116 954 HA ILE 120 HA ILE 120 -1.136 8.235 1.018 955 HB ILE 120 HB ILE 120 0.452 7.257 -0.635 956 HG12 ILE 120 2HG1 ILE 120 -1.981 7.246 -2.450 957 HG13 ILE 120 1HG1 ILE 120 -0.519 8.196 -2.692 958 HG21 ILE 120 1HG2 ILE 120 -0.822 5.821 0.853 959 HG22 ILE 120 2HG2 ILE 120 -0.621 5.050 -0.720 960 HG23 ILE 120 3HG2 ILE 120 -2.161 5.795 -0.295 961 HD11 ILE 120 3HD1 ILE 120 -0.558 6.312 -4.159 962 HD12 ILE 120 1HD1 ILE 120 -0.808 5.201 -2.826 963 HD13 ILE 120 2HD1 ILE 120 0.733 6.067 -2.980 964 H GLY 121 H GLY 121 -1.975 10.052 -1.827 965 HA2 GLY 121 2HA GLY 121 0.255 11.881 -1.232 966 HA3 GLY 121 1HA GLY 121 -0.204 11.489 -2.885 967 H CYS 122 H CYS 122 -2.276 12.173 -0.108 968 HA CYS 122 HA CYS 122 -3.010 14.724 -1.268 969 HB2 CYS 122 2HB CYS 122 -4.590 13.044 -2.236 970 HB3 CYS 122 1HB CYS 122 -5.038 12.563 -0.609 971 HG CYS 122 HG CYS 122 -6.674 14.548 -0.069 972 H GLY 123 H GLY 123 -3.804 16.142 0.317 973 HA2 GLY 123 2HA GLY 123 -4.718 16.264 2.650 974 HA3 GLY 123 1HA GLY 123 -3.402 15.168 3.076 975 H LEU 124 H LEU 124 -1.606 16.371 1.210 976 HA LEU 124 HA LEU 124 -0.889 18.804 2.681 977 HB2 LEU 124 2HB LEU 124 0.753 17.056 0.816 978 HB3 LEU 124 1HB LEU 124 1.334 18.536 1.532 979 HG LEU 124 HG LEU 124 2.312 16.708 2.698 980 HD11 LEU 124 1HD1 LEU 124 1.759 18.576 4.076 981 HD12 LEU 124 2HD1 LEU 124 1.602 17.074 4.988 982 HD13 LEU 124 3HD1 LEU 124 0.161 17.904 4.400 983 HD21 LEU 124 3HD2 LEU 124 0.737 14.929 2.139 984 HD22 LEU 124 1HD2 LEU 124 -0.472 15.645 3.208 985 HD23 LEU 124 2HD2 LEU 124 1.020 14.983 3.879 986 H ASP 125 H ASP 125 -1.199 20.697 1.687 987 HA ASP 125 HA ASP 125 -2.638 20.716 -0.719 988 HB2 ASP 125 2HB ASP 125 -1.536 23.010 0.878 989 HB3 ASP 125 1HB ASP 125 -2.496 23.229 -0.581 990 H ARG 126 H ARG 126 0.713 20.735 -0.327 991 HA ARG 126 HA ARG 126 1.324 22.009 -2.780 992 HB2 ARG 126 2HB ARG 126 3.113 21.695 -1.178 993 HB3 ARG 126 1HB ARG 126 2.863 19.956 -1.177 994 HG2 ARG 126 2HG ARG 126 4.860 20.584 -2.456 995 HG3 ARG 126 1HG ARG 126 3.633 19.803 -3.455 996 HD2 ARG 126 2HD ARG 126 2.910 22.036 -4.260 997 HD3 ARG 126 1HD ARG 126 4.216 22.769 -3.323 998 HE ARG 126 HE ARG 126 5.509 20.964 -4.801 999 HH11 ARG 126 1HH1 ARG 126 3.216 23.485 -5.748 1000 HH12 ARG 126 2HH1 ARG 126 3.849 23.660 -7.318 1001 HH21 ARG 126 1HH2 ARG 126 6.369 21.216 -6.970 1002 HH22 ARG 126 2HH2 ARG 126 5.681 22.338 -8.025 1003 H LEU 127 H LEU 127 0.282 18.780 -1.931 1004 HA LEU 127 HA LEU 127 0.534 18.058 -4.731 1005 HB2 LEU 127 2HB LEU 127 0.087 16.313 -2.337 1006 HB3 LEU 127 1HB LEU 127 0.059 15.716 -3.986 1007 HG LEU 127 HG LEU 127 2.487 16.611 -4.007 1008 HD11 LEU 127 1HD1 LEU 127 2.435 17.827 -1.941 1009 HD12 LEU 127 2HD1 LEU 127 3.629 16.524 -1.869 1010 HD13 LEU 127 3HD1 LEU 127 2.079 16.343 -1.050 1011 HD21 LEU 127 3HD2 LEU 127 3.290 14.451 -3.163 1012 HD22 LEU 127 1HD2 LEU 127 1.892 14.302 -4.228 1013 HD23 LEU 127 2HD2 LEU 127 1.686 14.142 -2.483 1014 H GLN 128 H GLN 128 -1.232 16.725 -5.580 1015 HA GLN 128 HA GLN 128 -3.807 17.232 -4.449 1016 HB2 GLN 128 2HB GLN 128 -3.425 19.087 -5.934 1017 HB3 GLN 128 1HB GLN 128 -2.802 18.017 -7.176 1018 HG2 GLN 128 2HG GLN 128 -4.866 17.058 -7.490 1019 HG3 GLN 128 1HG GLN 128 -5.590 17.954 -6.142 1020 HE21 GLN 128 1HE2 GLN 128 -4.404 18.200 -9.458 1021 HE22 GLN 128 2HE2 GLN 128 -5.053 19.753 -9.749 1022 H TRP 129 H TRP 129 -5.092 15.468 -4.818 1023 HA TRP 129 HA TRP 129 -3.830 13.070 -5.418 1024 HB2 TRP 129 2HB TRP 129 -5.831 13.120 -3.988 1025 HB3 TRP 129 1HB TRP 129 -6.819 13.572 -5.376 1026 HD1 TRP 129 HD TRP 129 -7.685 11.661 -6.904 1027 HE1 TRP 129 1HE TRP 129 -7.360 9.133 -6.996 1028 HE3 TRP 129 3HE TRP 129 -3.998 11.219 -3.394 1029 HZ2 TRP 129 2HZ TRP 129 -5.741 7.179 -5.736 1030 HZ3 TRP 129 3HZ TRP 129 -3.118 8.982 -2.893 1031 HH2 TRP 129 HH TRP 129 -3.972 7.002 -4.037 1032 H GLU 130 H GLU 130 -5.774 15.115 -7.481 1033 HA GLU 130 HA GLU 130 -6.123 13.540 -9.712 1034 HB2 GLU 130 2HB GLU 130 -6.988 15.809 -9.516 1035 HB3 GLU 130 1HB GLU 130 -5.358 16.454 -9.596 1036 HG2 GLU 130 2HG GLU 130 -5.155 15.629 -11.884 1037 HG3 GLU 130 1HG GLU 130 -6.799 14.994 -11.791 1038 H ASN 131 H ASN 131 -3.255 15.330 -8.748 1039 HA ASN 131 HA ASN 131 -1.731 14.825 -11.102 1040 HB2 ASN 131 2HB ASN 131 -0.704 15.515 -8.330 1041 HB3 ASN 131 1HB ASN 131 0.144 15.701 -9.858 1042 HD21 ASN 131 1HD2 ASN 131 -0.403 17.666 -7.855 1043 HD22 ASN 131 2HD2 ASN 131 -1.324 18.928 -8.592 1044 H VAL 132 H VAL 132 -1.932 13.440 -7.899 1045 HA VAL 132 HA VAL 132 0.073 11.492 -8.132 1046 HB VAL 132 HB VAL 132 -2.427 11.489 -6.419 1047 HG11 VAL 132 1HG1 VAL 132 -1.510 9.254 -6.559 1048 HG12 VAL 132 2HG1 VAL 132 -1.171 9.924 -4.958 1049 HG13 VAL 132 3HG1 VAL 132 0.095 9.863 -6.188 1050 HG21 VAL 132 3HG2 VAL 132 -0.973 12.353 -4.663 1051 HG22 VAL 132 1HG2 VAL 132 -1.017 13.435 -6.051 1052 HG23 VAL 132 2HG2 VAL 132 0.382 12.390 -5.792 1053 H SER 133 H SER 133 -3.448 11.276 -8.592 1054 HA SER 133 HA SER 133 -3.699 8.650 -9.291 1055 HB2 SER 133 2HB SER 133 -5.554 10.245 -8.813 1056 HB3 SER 133 1HB SER 133 -5.241 11.041 -10.350 1057 HG SER 133 HG SER 133 -6.448 8.609 -9.786 1058 H ALA 134 H ALA 134 -3.095 11.478 -11.417 1059 HA ALA 134 HA ALA 134 -2.959 10.109 -13.841 1060 HB1 ALA 134 1HB ALA 134 -3.067 12.563 -13.665 1061 HB2 ALA 134 2HB ALA 134 -1.727 12.045 -14.690 1062 HB3 ALA 134 3HB ALA 134 -1.421 12.585 -13.041 1063 H MET 135 H MET 135 -0.358 10.950 -11.621 1064 HA MET 135 HA MET 135 1.860 9.807 -12.846 1065 HB2 MET 135 2HB MET 135 2.005 11.173 -10.856 1066 HB3 MET 135 1HB MET 135 1.148 9.957 -9.919 1067 HG2 MET 135 2HG MET 135 3.026 8.388 -10.397 1068 HG3 MET 135 1HG MET 135 3.887 9.751 -11.115 1069 HE1 MET 135 3HE MET 135 4.545 11.952 -9.716 1070 HE2 MET 135 1HE MET 135 4.221 12.120 -7.992 1071 HE3 MET 135 2HE MET 135 2.881 12.116 -9.140 1072 H ILE 136 H ILE 136 -0.441 8.353 -10.602 1073 HA ILE 136 HA ILE 136 0.755 5.826 -10.462 1074 HB ILE 136 HB ILE 136 -2.095 6.708 -9.943 1075 HG12 ILE 136 2HG1 ILE 136 0.194 6.061 -8.081 1076 HG13 ILE 136 1HG1 ILE 136 -0.397 7.669 -8.465 1077 HG21 ILE 136 1HG2 ILE 136 -2.411 4.595 -8.739 1078 HG22 ILE 136 2HG2 ILE 136 -0.827 4.052 -9.299 1079 HG23 ILE 136 3HG2 ILE 136 -2.123 4.340 -10.459 1080 HD11 ILE 136 3HD1 ILE 136 -1.953 5.521 -7.029 1081 HD12 ILE 136 1HD1 ILE 136 -2.541 7.140 -7.413 1082 HD13 ILE 136 2HD1 ILE 136 -1.199 6.936 -6.288 1083 H GLU 137 H GLU 137 -1.690 7.142 -12.617 1084 HA GLU 137 HA GLU 137 -2.284 4.784 -14.019 1085 HB2 GLU 137 2HB GLU 137 -2.310 7.649 -15.025 1086 HB3 GLU 137 1HB GLU 137 -3.082 6.287 -15.821 1087 HG2 GLU 137 2HG GLU 137 -3.774 7.352 -13.096 1088 HG3 GLU 137 1HG GLU 137 -4.689 7.670 -14.561 1089 H GLU 138 H GLU 138 0.179 7.294 -14.436 1090 HA GLU 138 HA GLU 138 1.200 6.577 -16.948 1091 HB2 GLU 138 2HB GLU 138 2.738 7.839 -14.674 1092 HB3 GLU 138 1HB GLU 138 3.206 7.840 -16.361 1093 HG2 GLU 138 2HG GLU 138 1.111 9.179 -16.826 1094 HG3 GLU 138 1HG GLU 138 0.898 9.270 -15.077 1095 H VAL 139 H VAL 139 2.387 5.692 -13.736 1096 HA VAL 139 HA VAL 139 4.635 4.234 -14.647 1097 HB VAL 139 HB VAL 139 3.182 3.891 -12.009 1098 HG11 VAL 139 1HG1 VAL 139 4.670 2.017 -12.551 1099 HG12 VAL 139 2HG1 VAL 139 5.293 2.948 -11.187 1100 HG13 VAL 139 3HG1 VAL 139 6.000 3.124 -12.794 1101 HG21 VAL 139 3HG2 VAL 139 4.885 5.426 -11.104 1102 HG22 VAL 139 1HG2 VAL 139 3.920 6.203 -12.358 1103 HG23 VAL 139 2HG2 VAL 139 5.549 5.631 -12.718 1104 H PHE 140 H PHE 140 1.468 3.102 -13.607 1105 HA PHE 140 HA PHE 140 2.205 0.409 -14.175 1106 HB2 PHE 140 2HB PHE 140 -0.334 1.570 -13.157 1107 HB3 PHE 140 1HB PHE 140 -0.209 -0.108 -13.642 1108 HD1 PHE 140 1HD PHE 140 0.873 2.399 -11.170 1109 HD2 PHE 140 2HD PHE 140 0.976 -1.697 -12.318 1110 HE1 PHE 140 1HE PHE 140 1.624 1.763 -8.907 1111 HE2 PHE 140 2HE PHE 140 1.709 -2.299 -10.060 1112 HZ PHE 140 HZ PHE 140 2.024 -0.628 -8.383 1113 H GLU 141 H GLU 141 1.004 2.841 -16.163 1114 HA GLU 141 HA GLU 141 -0.884 1.696 -17.742 1115 HB2 GLU 141 2HB GLU 141 -0.054 4.010 -17.857 1116 HB3 GLU 141 1HB GLU 141 1.412 3.425 -18.620 1117 HG2 GLU 141 2HG GLU 141 0.158 2.609 -20.465 1118 HG3 GLU 141 1HG GLU 141 -1.344 3.145 -19.694 1119 H ALA 142 H ALA 142 2.469 0.881 -17.716 1120 HA ALA 142 HA ALA 142 2.293 -0.666 -20.187 1121 HB1 ALA 142 1HB ALA 142 4.669 -1.133 -19.872 1122 HB2 ALA 142 2HB ALA 142 4.611 -0.392 -18.270 1123 HB3 ALA 142 3HB ALA 142 4.343 0.594 -19.707 1124 H THR 143 H THR 143 1.234 -1.261 -17.187 1125 HA THR 143 HA THR 143 1.663 -4.173 -17.335 1126 HB THR 143 HB THR 143 1.961 -4.234 -14.870 1127 HG1 THR 143 1HG THR 143 1.258 -1.612 -15.139 1128 HG21 THR 143 3HG2 THR 143 3.910 -2.318 -16.159 1129 HG22 THR 143 1HG2 THR 143 4.066 -4.085 -16.140 1130 HG23 THR 143 2HG2 THR 143 4.143 -3.146 -14.633 1131 H ASP 144 H ASP 144 0.022 -5.137 -15.530 1132 HA ASP 144 HA ASP 144 -2.183 -3.318 -15.116 1133 HB2 ASP 144 2HB ASP 144 -3.048 -4.641 -16.963 1134 HB3 ASP 144 1HB ASP 144 -2.624 -6.140 -16.136 1135 H ILE 145 H ILE 145 -1.580 -2.995 -13.169 1136 HA ILE 145 HA ILE 145 -2.104 -5.169 -11.293 1137 HB ILE 145 HB ILE 145 -0.037 -2.943 -10.925 1138 HG12 ILE 145 2HG1 ILE 145 0.408 -5.898 -11.351 1139 HG13 ILE 145 1HG1 ILE 145 0.549 -4.707 -12.633 1140 HG21 ILE 145 1HG2 ILE 145 -0.679 -5.300 -9.155 1141 HG22 ILE 145 2HG2 ILE 145 -1.082 -3.619 -8.836 1142 HG23 ILE 145 3HG2 ILE 145 0.601 -4.125 -8.917 1143 HD11 ILE 145 3HD1 ILE 145 2.135 -4.786 -10.119 1144 HD12 ILE 145 1HD1 ILE 145 2.372 -3.655 -11.473 1145 HD13 ILE 145 2HD1 ILE 145 2.694 -5.382 -11.683 1146 H LYS 146 H LYS 146 -3.940 -4.643 -10.386 1147 HA LYS 146 HA LYS 146 -4.973 -2.026 -10.866 1148 HB2 LYS 146 2HB LYS 146 -6.170 -4.450 -9.656 1149 HB3 LYS 146 1HB LYS 146 -7.071 -3.005 -10.067 1150 HG2 LYS 146 2HG LYS 146 -6.275 -3.273 -12.435 1151 HG3 LYS 146 1HG LYS 146 -5.609 -4.833 -11.967 1152 HD2 LYS 146 2HD LYS 146 -7.847 -5.536 -11.282 1153 HD3 LYS 146 1HD LYS 146 -8.458 -3.968 -11.817 1154 HE2 LYS 146 2HE LYS 146 -7.116 -6.047 -13.563 1155 HE3 LYS 146 1HE LYS 146 -8.830 -5.632 -13.580 1156 HZ1 LYS 146 3HZ LYS 146 -8.150 -3.366 -14.272 1157 HZ2 LYS 146 1HZ LYS 146 -7.747 -4.561 -15.382 1158 HZ3 LYS 146 2HZ LYS 146 -6.548 -3.925 -14.388 1159 H ILE 147 H ILE 147 -5.965 -0.772 -9.393 1160 HA ILE 147 HA ILE 147 -4.915 -1.002 -6.674 1161 HB ILE 147 HB ILE 147 -4.769 1.441 -8.450 1162 HG12 ILE 147 2HG1 ILE 147 -2.544 -0.184 -7.207 1163 HG13 ILE 147 1HG1 ILE 147 -3.067 -0.336 -8.879 1164 HG21 ILE 147 1HG2 ILE 147 -5.299 2.065 -6.157 1165 HG22 ILE 147 2HG2 ILE 147 -3.639 2.517 -6.541 1166 HG23 ILE 147 3HG2 ILE 147 -3.960 1.087 -5.560 1167 HD11 ILE 147 3HD1 ILE 147 -1.080 1.019 -8.700 1168 HD12 ILE 147 1HD1 ILE 147 -1.921 2.128 -7.603 1169 HD13 ILE 147 2HD1 ILE 147 -2.462 1.948 -9.281 1170 H THR 148 H THR 148 -6.562 -0.917 -5.372 1171 HA THR 148 HA THR 148 -8.840 0.706 -6.140 1172 HB THR 148 HB THR 148 -8.706 -1.514 -4.066 1173 HG1 THR 148 1HG THR 148 -8.910 -2.782 -5.698 1174 HG21 THR 148 3HG2 THR 148 -11.068 -0.065 -5.296 1175 HG22 THR 148 1HG2 THR 148 -10.474 0.140 -3.648 1176 HG23 THR 148 2HG2 THR 148 -11.162 -1.402 -4.146 1177 H VAL 149 H VAL 149 -9.052 2.538 -5.072 1178 HA VAL 149 HA VAL 149 -7.488 2.998 -2.665 1179 HB VAL 149 HB VAL 149 -8.610 4.955 -4.700 1180 HG11 VAL 149 1HG1 VAL 149 -8.695 5.942 -2.447 1181 HG12 VAL 149 2HG1 VAL 149 -7.449 6.698 -3.448 1182 HG13 VAL 149 3HG1 VAL 149 -6.994 5.528 -2.208 1183 HG21 VAL 149 3HG2 VAL 149 -6.652 3.728 -5.433 1184 HG22 VAL 149 1HG2 VAL 149 -5.790 4.205 -3.967 1185 HG23 VAL 149 2HG2 VAL 149 -6.267 5.422 -5.151 1186 H TYR 150 H TYR 150 -8.416 3.369 -0.864 1187 HA TYR 150 HA TYR 150 -11.342 3.492 -0.774 1188 HB2 TYR 150 2HB TYR 150 -9.419 2.532 1.358 1189 HB3 TYR 150 1HB TYR 150 -11.172 2.543 1.483 1190 HD1 TYR 150 1HD TYR 150 -8.312 1.004 -0.225 1191 HD2 TYR 150 2HD TYR 150 -12.504 0.832 0.444 1192 HE1 TYR 150 1HE TYR 150 -8.365 -1.189 -1.256 1193 HE2 TYR 150 2HE TYR 150 -12.577 -1.401 -0.597 1194 HH TYR 150 HH TYR 150 -9.752 -3.154 -1.191 1195 H THR 151 H THR 151 -12.323 4.962 0.631 1196 HA THR 151 HA THR 151 -10.666 7.292 0.981 1197 HB THR 151 HB THR 151 -12.860 8.408 1.493 1198 HG1 THR 151 1HG THR 151 -14.481 7.122 1.949 1199 HG21 THR 151 3HG2 THR 151 -11.959 8.365 -0.790 1200 HG22 THR 151 1HG2 THR 151 -13.719 8.261 -0.813 1201 HG23 THR 151 2HG2 THR 151 -12.746 6.814 -1.081 1202 H LEU 152 H LEU 152 -9.736 7.742 2.806 1203 HA LEU 152 HA LEU 152 -10.955 7.205 5.347 1204 HB2 LEU 152 2HB LEU 152 -9.692 5.143 4.877 1205 HB3 LEU 152 1HB LEU 152 -8.258 6.091 4.549 1206 HG LEU 152 HG LEU 152 -8.222 6.828 6.910 1207 HD11 LEU 152 1HD1 LEU 152 -9.627 5.695 8.553 1208 HD12 LEU 152 2HD1 LEU 152 -10.504 4.896 7.248 1209 HD13 LEU 152 3HD1 LEU 152 -10.585 6.649 7.422 1210 HD21 LEU 152 3HD2 LEU 152 -7.513 4.690 7.859 1211 HD22 LEU 152 1HD2 LEU 152 -6.909 4.912 6.217 1212 HD23 LEU 152 2HD2 LEU 152 -8.277 3.841 6.517 Start of MODEL 9 1 H GLU 1 H GLU 1 -22.139 2.537 13.597 2 HA GLU 1 HA GLU 1 -21.024 0.104 12.562 3 HB2 GLU 1 2HB GLU 1 -23.305 -0.353 11.639 4 HB3 GLU 1 1HB GLU 1 -23.206 -0.257 13.390 5 HG2 GLU 1 2HG GLU 1 -24.086 1.979 13.326 6 HG3 GLU 1 1HG GLU 1 -24.160 1.912 11.562 7 H ALA 2 H ALA 2 -19.522 0.901 11.286 8 HA ALA 2 HA ALA 2 -20.535 1.785 8.675 9 HB1 ALA 2 1HB ALA 2 -17.996 2.749 10.011 10 HB2 ALA 2 2HB ALA 2 -19.459 3.703 9.773 11 HB3 ALA 2 3HB ALA 2 -18.521 3.165 8.380 12 H SER 3 H SER 3 -19.612 -0.733 10.147 13 HA SER 3 HA SER 3 -17.202 -1.577 8.897 14 HB2 SER 3 2HB SER 3 -19.359 -3.261 10.196 15 HB3 SER 3 1HB SER 3 -17.672 -3.708 9.948 16 HG SER 3 HG SER 3 -17.425 -1.556 11.229 17 H SER 4 H SER 4 -17.561 -1.222 6.704 18 HA SER 4 HA SER 4 -18.800 -3.259 5.202 19 HB2 SER 4 2HB SER 4 -20.526 -1.708 4.156 20 HB3 SER 4 1HB SER 4 -20.885 -2.226 5.806 21 HG SER 4 HG SER 4 -19.422 -0.041 5.968 22 H LEU 5 H LEU 5 -18.942 -2.373 2.821 23 HA LEU 5 HA LEU 5 -17.330 -0.134 2.222 24 HB2 LEU 5 2HB LEU 5 -15.753 -1.297 0.748 25 HB3 LEU 5 1HB LEU 5 -15.581 -1.831 2.400 26 HG LEU 5 HG LEU 5 -17.017 -3.440 0.263 27 HD11 LEU 5 1HD1 LEU 5 -14.989 -4.806 0.180 28 HD12 LEU 5 2HD1 LEU 5 -14.185 -3.673 1.270 29 HD13 LEU 5 3HD1 LEU 5 -14.681 -3.150 -0.340 30 HD21 LEU 5 3HD2 LEU 5 -16.726 -5.298 1.818 31 HD22 LEU 5 1HD2 LEU 5 -17.630 -3.986 2.578 32 HD23 LEU 5 2HD2 LEU 5 -15.927 -4.222 2.971 33 H ASN 6 H ASN 6 -18.280 0.860 0.595 34 HA ASN 6 HA ASN 6 -20.437 -0.508 -0.746 35 HB2 ASN 6 2HB ASN 6 -20.715 1.882 -0.116 36 HB3 ASN 6 1HB ASN 6 -19.416 2.302 -1.229 37 HD21 ASN 6 1HD2 ASN 6 -20.762 3.613 -2.470 38 HD22 ASN 6 2HD2 ASN 6 -21.967 2.943 -3.510 39 H GLU 7 H GLU 7 -19.607 -2.010 -1.889 40 HA GLU 7 HA GLU 7 -17.394 -1.567 -3.658 41 HB2 GLU 7 2HB GLU 7 -17.601 -3.951 -4.137 42 HB3 GLU 7 1HB GLU 7 -17.555 -3.634 -2.405 43 HG2 GLU 7 2HG GLU 7 -20.034 -3.772 -2.408 44 HG3 GLU 7 1HG GLU 7 -19.915 -4.285 -4.097 45 H ASP 8 H ASP 8 -17.424 -1.885 -5.809 46 HA ASP 8 HA ASP 8 -19.649 -2.262 -7.463 47 HB2 ASP 8 2HB ASP 8 -20.245 0.026 -6.816 48 HB3 ASP 8 1HB ASP 8 -18.622 0.593 -7.206 49 HA PRO 9 HA PRO 9 -15.750 -3.475 -9.193 50 HB2 PRO 9 2HB PRO 9 -16.721 -4.950 -11.223 51 HB3 PRO 9 1HB PRO 9 -16.701 -5.512 -9.546 52 HG2 PRO 9 2HG PRO 9 -18.959 -4.344 -11.125 53 HG3 PRO 9 1HG PRO 9 -18.981 -5.711 -9.994 54 HD2 PRO 9 2HD PRO 9 -19.820 -3.206 -9.321 55 HD3 PRO 9 1HD PRO 9 -19.111 -4.329 -8.144 56 H GLU 10 H GLU 10 -14.449 -2.912 -10.781 57 HA GLU 10 HA GLU 10 -15.475 -1.604 -13.162 58 HB2 GLU 10 2HB GLU 10 -15.117 0.244 -11.591 59 HB3 GLU 10 1HB GLU 10 -13.475 -0.304 -11.308 60 HG2 GLU 10 2HG GLU 10 -12.890 0.181 -13.608 61 HG3 GLU 10 1HG GLU 10 -14.548 0.681 -13.935 62 H GLY 11 H GLY 11 -12.574 -2.386 -11.451 63 HA2 GLY 11 2HA GLY 11 -10.784 -3.759 -12.080 64 HA3 GLY 11 1HA GLY 11 -11.672 -4.156 -13.545 65 H SER 12 H SER 12 -10.692 -0.963 -12.389 66 HA SER 12 HA SER 12 -9.062 -0.743 -14.802 67 HB2 SER 12 2HB SER 12 -11.106 0.713 -14.767 68 HB3 SER 12 1HB SER 12 -10.492 1.479 -13.305 69 HG SER 12 HG SER 12 -10.064 2.259 -15.684 70 H ARG 13 H ARG 13 -7.798 1.591 -14.056 71 HA ARG 13 HA ARG 13 -5.717 0.517 -12.436 72 HB2 ARG 13 2HB ARG 13 -6.116 3.309 -13.478 73 HB3 ARG 13 1HB ARG 13 -4.630 2.748 -12.691 74 HG2 ARG 13 2HG ARG 13 -5.852 1.592 -15.168 75 HG3 ARG 13 1HG ARG 13 -4.532 2.767 -15.128 76 HD2 ARG 13 2HD ARG 13 -3.046 1.245 -14.186 77 HD3 ARG 13 1HD ARG 13 -4.302 0.164 -13.648 78 HE ARG 13 HE ARG 13 -4.391 -0.790 -15.650 79 HH11 ARG 13 1HH1 ARG 13 -2.631 2.269 -16.143 80 HH12 ARG 13 2HH1 ARG 13 -2.132 1.849 -17.707 81 HH21 ARG 13 1HH2 ARG 13 -3.660 -1.315 -17.759 82 HH22 ARG 13 2HH2 ARG 13 -2.678 -0.211 -18.652 83 H ILE 14 H ILE 14 -7.647 3.486 -11.788 84 HA ILE 14 HA ILE 14 -7.355 2.696 -8.972 85 HB ILE 14 HB ILE 14 -7.728 5.465 -10.098 86 HG12 ILE 14 2HG1 ILE 14 -5.225 4.238 -8.904 87 HG13 ILE 14 1HG1 ILE 14 -5.480 4.541 -10.618 88 HG21 ILE 14 1HG2 ILE 14 -8.666 5.206 -7.842 89 HG22 ILE 14 2HG2 ILE 14 -7.219 6.207 -7.772 90 HG23 ILE 14 3HG2 ILE 14 -7.148 4.522 -7.279 91 HD11 ILE 14 3HD1 ILE 14 -5.340 6.644 -8.458 92 HD12 ILE 14 1HD1 ILE 14 -5.593 6.923 -10.175 93 HD13 ILE 14 2HD1 ILE 14 -4.068 6.250 -9.612 94 H THR 15 H THR 15 -9.110 2.109 -8.131 95 HA THR 15 HA THR 15 -11.670 3.237 -9.028 96 HB THR 15 HB THR 15 -11.161 0.393 -8.074 97 HG1 THR 15 1HG THR 15 -11.662 1.421 -10.719 98 HG21 THR 15 3HG2 THR 15 -13.423 1.223 -7.546 99 HG22 THR 15 1HG2 THR 15 -13.483 -0.032 -8.787 100 HG23 THR 15 2HG2 THR 15 -13.654 1.665 -9.235 101 H TYR 16 H TYR 16 -12.947 3.975 -7.346 102 HA TYR 16 HA TYR 16 -11.664 3.902 -4.724 103 HB2 TYR 16 2HB TYR 16 -13.699 5.827 -5.843 104 HB3 TYR 16 1HB TYR 16 -13.037 5.890 -4.215 105 HD1 TYR 16 1HD TYR 16 -12.329 6.416 -7.780 106 HD2 TYR 16 2HD TYR 16 -10.786 6.704 -3.826 107 HE1 TYR 16 1HE TYR 16 -10.482 7.803 -8.603 108 HE2 TYR 16 2HE TYR 16 -8.942 8.092 -4.644 109 HH TYR 16 HH TYR 16 -8.907 9.413 -7.790 110 H VAL 17 H VAL 17 -12.673 3.225 -2.969 111 HA VAL 17 HA VAL 17 -15.491 2.427 -3.109 112 HB VAL 17 HB VAL 17 -13.269 0.766 -1.893 113 HG11 VAL 17 1HG1 VAL 17 -14.998 -0.920 -1.452 114 HG12 VAL 17 2HG1 VAL 17 -16.220 0.204 -2.048 115 HG13 VAL 17 3HG1 VAL 17 -15.298 0.593 -0.596 116 HG21 VAL 17 3HG2 VAL 17 -13.814 -0.941 -3.561 117 HG22 VAL 17 1HG2 VAL 17 -13.251 0.552 -4.311 118 HG23 VAL 17 2HG2 VAL 17 -14.973 0.166 -4.310 119 H LYS 18 H LYS 18 -16.542 3.185 -1.385 120 HA LYS 18 HA LYS 18 -14.944 4.326 0.732 121 HB2 LYS 18 2HB LYS 18 -17.023 5.295 1.552 122 HB3 LYS 18 1HB LYS 18 -16.737 5.741 -0.121 123 HG2 LYS 18 2HG LYS 18 -18.379 4.053 -0.824 124 HG3 LYS 18 1HG LYS 18 -18.654 3.629 0.860 125 HD2 LYS 18 2HD LYS 18 -19.170 6.319 -0.406 126 HD3 LYS 18 1HD LYS 18 -20.395 5.127 0.032 127 HE2 LYS 18 2HE LYS 18 -19.695 5.322 2.396 128 HE3 LYS 18 1HE LYS 18 -18.519 6.539 1.923 129 HZ1 LYS 18 3HZ LYS 18 -20.483 7.551 2.780 130 HZ2 LYS 18 1HZ LYS 18 -21.454 6.762 1.668 131 HZ3 LYS 18 2HZ LYS 18 -20.343 7.929 1.144 132 H GLY 19 H GLY 19 -14.583 3.309 2.582 133 HA2 GLY 19 2HA GLY 19 -16.277 1.826 4.078 134 HA3 GLY 19 1HA GLY 19 -15.638 0.689 2.897 135 H ASP 20 H ASP 20 -14.920 -0.257 4.950 136 HA ASP 20 HA ASP 20 -12.761 1.067 6.328 137 HB2 ASP 20 2HB ASP 20 -14.380 -0.487 7.472 138 HB3 ASP 20 1HB ASP 20 -13.645 -1.799 6.577 139 H LEU 21 H LEU 21 -10.687 0.881 5.933 140 HA LEU 21 HA LEU 21 -9.776 -0.407 3.588 141 HB2 LEU 21 2HB LEU 21 -8.848 1.717 4.398 142 HB3 LEU 21 1HB LEU 21 -8.257 0.933 5.834 143 HG LEU 21 HG LEU 21 -6.498 1.540 4.178 144 HD11 LEU 21 1HD1 LEU 21 -5.202 -0.455 4.293 145 HD12 LEU 21 2HD1 LEU 21 -6.650 -1.427 4.618 146 HD13 LEU 21 3HD1 LEU 21 -6.102 -0.237 5.788 147 HD21 LEU 21 3HD2 LEU 21 -7.781 -0.572 2.455 148 HD22 LEU 21 1HD2 LEU 21 -6.217 0.192 2.165 149 HD23 LEU 21 2HD2 LEU 21 -7.682 1.163 2.122 150 H PHE 22 H PHE 22 -9.849 -1.390 6.969 151 HA PHE 22 HA PHE 22 -7.979 -3.512 6.510 152 HB2 PHE 22 2HB PHE 22 -9.669 -2.777 8.895 153 HB3 PHE 22 1HB PHE 22 -8.748 -4.271 8.829 154 HD1 PHE 22 1HD PHE 22 -6.269 -4.140 8.563 155 HD2 PHE 22 2HD PHE 22 -8.612 -0.695 9.536 156 HE1 PHE 22 1HE PHE 22 -4.272 -3.002 9.415 157 HE2 PHE 22 2HE PHE 22 -6.623 0.413 10.368 158 HZ PHE 22 HZ PHE 22 -4.442 -0.730 10.313 159 H ALA 23 H ALA 23 -11.196 -3.059 5.791 160 HA ALA 23 HA ALA 23 -11.921 -5.855 6.005 161 HB1 ALA 23 1HB ALA 23 -13.603 -4.123 6.408 162 HB2 ALA 23 2HB ALA 23 -14.050 -5.146 5.040 163 HB3 ALA 23 3HB ALA 23 -13.395 -3.534 4.758 164 H CYS 24 H CYS 24 -9.817 -4.497 4.088 165 HA CYS 24 HA CYS 24 -10.685 -5.164 1.482 166 HB2 CYS 24 2HB CYS 24 -8.272 -4.893 0.869 167 HB3 CYS 24 1HB CYS 24 -8.938 -3.525 1.750 168 HG CYS 24 HG CYS 24 -7.515 -3.652 3.823 169 HA PRO 25 HA PRO 25 -9.923 -9.557 1.635 170 HB2 PRO 25 2HB PRO 25 -9.549 -9.632 -1.252 171 HB3 PRO 25 1HB PRO 25 -10.929 -10.198 -0.310 172 HG2 PRO 25 2HG PRO 25 -11.053 -8.047 -1.959 173 HG3 PRO 25 1HG PRO 25 -12.043 -8.202 -0.494 174 HD2 PRO 25 2HD PRO 25 -9.516 -6.658 -0.929 175 HD3 PRO 25 1HD PRO 25 -11.008 -6.186 -0.080 176 H LYS 26 H LYS 26 -8.308 -11.180 1.223 177 HA LYS 26 HA LYS 26 -5.693 -10.095 1.347 178 HB2 LYS 26 2HB LYS 26 -4.881 -12.440 1.644 179 HB3 LYS 26 1HB LYS 26 -6.104 -11.951 2.797 180 HG2 LYS 26 2HG LYS 26 -6.524 -14.223 2.185 181 HG3 LYS 26 1HG LYS 26 -7.772 -13.250 1.435 182 HD2 LYS 26 2HD LYS 26 -6.578 -13.340 -0.699 183 HD3 LYS 26 1HD LYS 26 -5.285 -14.267 0.049 184 HE2 LYS 26 2HE LYS 26 -8.161 -15.142 -0.252 185 HE3 LYS 26 1HE LYS 26 -6.798 -15.703 -1.213 186 HZ1 LYS 26 3HZ LYS 26 -5.823 -16.609 0.867 187 HZ2 LYS 26 1HZ LYS 26 -7.272 -17.300 0.436 188 HZ3 LYS 26 2HZ LYS 26 -7.246 -16.188 1.691 189 H THR 27 H THR 27 -7.596 -10.951 -1.185 190 HA THR 27 HA THR 27 -5.701 -11.951 -3.048 191 HB THR 27 HB THR 27 -7.568 -11.238 -4.619 192 HG1 THR 27 1HG THR 27 -8.591 -9.637 -3.313 193 HG21 THR 27 3HG2 THR 27 -9.052 -13.072 -3.877 194 HG22 THR 27 1HG2 THR 27 -8.240 -13.089 -2.313 195 HG23 THR 27 2HG2 THR 27 -7.355 -13.546 -3.766 196 H ASP 28 H ASP 28 -6.470 -8.953 -1.764 197 HA ASP 28 HA ASP 28 -5.223 -7.456 -3.958 198 HB2 ASP 28 2HB ASP 28 -6.974 -6.524 -1.662 199 HB3 ASP 28 1HB ASP 28 -6.323 -5.502 -2.933 200 H SER 29 H SER 29 -3.113 -6.913 -3.509 201 HA SER 29 HA SER 29 -2.197 -7.194 -0.803 202 HB2 SER 29 2HB SER 29 -0.746 -6.230 -3.295 203 HB3 SER 29 1HB SER 29 0.022 -6.465 -1.722 204 HG SER 29 HG SER 29 -1.459 -8.570 -2.823 205 H LEU 30 H LEU 30 -0.938 -5.226 0.214 206 HA LEU 30 HA LEU 30 -2.793 -2.976 -0.238 207 HB2 LEU 30 2HB LEU 30 -2.921 -4.644 1.873 208 HB3 LEU 30 1HB LEU 30 -1.706 -3.551 2.456 209 HG LEU 30 HG LEU 30 -4.487 -2.750 1.627 210 HD11 LEU 30 1HD1 LEU 30 -4.475 -4.201 3.539 211 HD12 LEU 30 2HD1 LEU 30 -4.903 -2.549 4.014 212 HD13 LEU 30 3HD1 LEU 30 -3.282 -3.172 4.331 213 HD21 LEU 30 3HD2 LEU 30 -2.349 -1.196 3.096 214 HD22 LEU 30 1HD2 LEU 30 -3.980 -0.629 2.765 215 HD23 LEU 30 2HD2 LEU 30 -2.861 -0.910 1.436 216 H ALA 31 H ALA 31 -1.877 -0.974 -0.116 217 HA ALA 31 HA ALA 31 1.022 -0.843 0.375 218 HB1 ALA 31 1HB ALA 31 -0.433 0.387 -1.960 219 HB2 ALA 31 2HB ALA 31 0.636 -1.016 -2.030 220 HB3 ALA 31 3HB ALA 31 1.287 0.567 -1.610 221 H HIS 32 H HIS 32 1.833 1.265 0.949 222 HA HIS 32 HA HIS 32 -0.100 3.371 1.644 223 HB2 HIS 32 2HB HIS 32 1.887 2.429 3.709 224 HB3 HIS 32 1HB HIS 32 0.493 3.486 3.878 225 HD1 HIS 32 1HD HIS 32 1.583 -0.005 4.096 226 HD2 HIS 32 2HD HIS 32 -2.020 2.059 4.069 227 HE1 HIS 32 1HE HIS 32 -0.115 -1.586 5.003 228 HE2 HIS 32 2HE HIS 32 -2.293 -0.376 4.787 229 H CYS 33 H CYS 33 1.133 5.393 2.075 230 HA CYS 33 HA CYS 33 3.898 5.201 1.199 231 HB2 CYS 33 2HB CYS 33 3.641 7.684 0.792 232 HB3 CYS 33 1HB CYS 33 2.647 6.659 -0.236 233 HG CYS 33 HG CYS 33 0.550 8.016 0.215 234 H ILE 34 H ILE 34 5.545 5.899 2.529 235 HA ILE 34 HA ILE 34 4.869 7.081 5.100 236 HB ILE 34 HB ILE 34 6.219 5.467 6.382 237 HG12 ILE 34 2HG1 ILE 34 6.336 3.806 3.866 238 HG13 ILE 34 1HG1 ILE 34 7.657 4.797 4.474 239 HG21 ILE 34 1HG2 ILE 34 3.864 5.135 6.321 240 HG22 ILE 34 2HG2 ILE 34 4.714 3.595 6.404 241 HG23 ILE 34 3HG2 ILE 34 4.009 4.141 4.873 242 HD11 ILE 34 3HD1 ILE 34 6.401 2.482 5.934 243 HD12 ILE 34 1HD1 ILE 34 7.736 3.476 6.520 244 HD13 ILE 34 2HD1 ILE 34 7.954 2.460 5.096 245 H SER 35 H SER 35 6.936 7.508 6.335 246 HA SER 35 HA SER 35 8.780 8.750 4.544 247 HB2 SER 35 2HB SER 35 9.813 9.516 6.685 248 HB3 SER 35 1HB SER 35 8.180 10.082 6.410 249 HG SER 35 HG SER 35 9.079 8.804 8.501 250 H GLU 36 H GLU 36 11.062 8.567 4.882 251 HA GLU 36 HA GLU 36 12.072 5.980 4.614 252 HB2 GLU 36 2HB GLU 36 12.957 8.052 3.619 253 HB3 GLU 36 1HB GLU 36 13.425 8.596 5.228 254 HG2 GLU 36 2HG GLU 36 14.959 6.740 5.360 255 HG3 GLU 36 1HG GLU 36 14.480 6.277 3.704 256 H ASP 37 H ASP 37 11.929 8.273 7.280 257 HA ASP 37 HA ASP 37 13.491 6.691 9.110 258 HB2 ASP 37 2HB ASP 37 12.820 8.333 10.845 259 HB3 ASP 37 1HB ASP 37 13.489 9.105 9.423 260 H CYS 38 H CYS 38 10.271 6.528 8.138 261 HA CYS 38 HA CYS 38 8.532 5.218 8.704 262 HB2 CYS 38 2HB CYS 38 10.545 3.806 10.451 263 HB3 CYS 38 1HB CYS 38 8.892 3.257 10.228 264 HG CYS 38 HG CYS 38 10.388 1.635 8.773 265 H ARG 39 H ARG 39 9.384 7.632 10.438 266 HA ARG 39 HA ARG 39 8.157 7.094 12.947 267 HB2 ARG 39 2HB ARG 39 8.757 9.674 11.532 268 HB3 ARG 39 1HB ARG 39 8.064 9.580 13.149 269 HG2 ARG 39 2HG ARG 39 10.032 8.454 13.957 270 HG3 ARG 39 1HG ARG 39 10.714 8.431 12.324 271 HD2 ARG 39 2HD ARG 39 10.683 10.827 12.266 272 HD3 ARG 39 1HD ARG 39 9.935 10.838 13.864 273 HE ARG 39 HE ARG 39 11.969 9.947 14.766 274 HH11 ARG 39 1HH1 ARG 39 12.334 11.131 11.404 275 HH12 ARG 39 2HH1 ARG 39 13.962 11.564 11.644 276 HH21 ARG 39 1HH2 ARG 39 14.228 10.561 14.990 277 HH22 ARG 39 2HH2 ARG 39 15.035 11.268 13.663 278 H MET 40 H MET 40 6.188 6.311 12.794 279 HA MET 40 HA MET 40 4.332 7.728 11.081 280 HB2 MET 40 2HB MET 40 3.034 5.603 10.914 281 HB3 MET 40 1HB MET 40 4.633 5.564 10.187 282 HG2 MET 40 2HG MET 40 5.471 4.427 12.189 283 HG3 MET 40 1HG MET 40 3.827 4.380 12.830 284 HE1 MET 40 3HE MET 40 5.071 3.861 9.092 285 HE2 MET 40 1HE MET 40 5.263 2.111 9.062 286 HE3 MET 40 2HE MET 40 6.313 3.092 10.083 287 H GLY 41 H GLY 41 3.330 9.093 12.199 288 HA2 GLY 41 2HA GLY 41 1.703 8.144 14.457 289 HA3 GLY 41 1HA GLY 41 2.498 9.720 14.480 290 H ALA 42 H ALA 42 1.811 9.271 11.397 291 HA ALA 42 HA ALA 42 -0.918 10.254 11.497 292 HB1 ALA 42 1HB ALA 42 1.360 11.452 9.902 293 HB2 ALA 42 2HB ALA 42 0.565 12.207 11.282 294 HB3 ALA 42 3HB ALA 42 -0.331 11.934 9.784 295 H GLY 43 H GLY 43 -1.778 10.167 9.154 296 HA2 GLY 43 2HA GLY 43 -2.086 9.016 7.204 297 HA3 GLY 43 1HA GLY 43 -0.471 8.336 7.395 298 H ILE 44 H ILE 44 -1.880 6.519 6.531 299 HA ILE 44 HA ILE 44 -3.485 5.215 8.530 300 HB ILE 44 HB ILE 44 -4.268 5.098 6.271 301 HG12 ILE 44 2HG1 ILE 44 -3.298 2.319 6.875 302 HG13 ILE 44 1HG1 ILE 44 -4.565 3.075 7.856 303 HG21 ILE 44 1HG2 ILE 44 -1.692 3.683 5.619 304 HG22 ILE 44 2HG2 ILE 44 -2.188 5.285 5.058 305 HG23 ILE 44 3HG2 ILE 44 -3.064 3.848 4.527 306 HD11 ILE 44 3HD1 ILE 44 -5.495 1.649 6.252 307 HD12 ILE 44 1HD1 ILE 44 -4.551 2.399 4.958 308 HD13 ILE 44 2HD1 ILE 44 -5.827 3.313 5.787 309 H ALA 45 H ALA 45 -0.214 5.126 7.644 310 HA ALA 45 HA ALA 45 0.494 2.475 8.199 311 HB1 ALA 45 1HB ALA 45 2.020 4.071 7.151 312 HB2 ALA 45 2HB ALA 45 2.748 3.283 8.550 313 HB3 ALA 45 3HB ALA 45 2.159 4.937 8.682 314 H VAL 46 H VAL 46 -0.116 5.126 10.356 315 HA VAL 46 HA VAL 46 1.046 4.113 12.686 316 HB VAL 46 HB VAL 46 0.199 6.423 12.329 317 HG11 VAL 46 1HG1 VAL 46 -2.500 5.275 12.879 318 HG12 VAL 46 2HG1 VAL 46 -1.931 6.067 11.404 319 HG13 VAL 46 3HG1 VAL 46 -2.095 6.995 12.892 320 HG21 VAL 46 3HG2 VAL 46 -0.500 6.826 14.659 321 HG22 VAL 46 1HG2 VAL 46 0.901 5.758 14.532 322 HG23 VAL 46 2HG2 VAL 46 -0.694 5.080 14.865 323 H LEU 47 H LEU 47 -1.972 3.473 11.201 324 HA LEU 47 HA LEU 47 -3.164 1.934 13.297 325 HB2 LEU 47 2HB LEU 47 -3.685 2.029 10.328 326 HB3 LEU 47 1HB LEU 47 -4.613 1.026 11.424 327 HG LEU 47 HG LEU 47 -4.438 4.024 11.764 328 HD11 LEU 47 1HD1 LEU 47 -5.412 3.534 9.570 329 HD12 LEU 47 2HD1 LEU 47 -6.635 4.112 10.690 330 HD13 LEU 47 3HD1 LEU 47 -6.539 2.393 10.311 331 HD21 LEU 47 3HD2 LEU 47 -6.380 1.945 12.713 332 HD22 LEU 47 1HD2 LEU 47 -6.434 3.665 13.092 333 HD23 LEU 47 2HD2 LEU 47 -5.111 2.667 13.710 334 H PHE 48 H PHE 48 -1.183 1.124 10.533 335 HA PHE 48 HA PHE 48 -1.418 -1.683 10.880 336 HB2 PHE 48 2HB PHE 48 0.311 0.023 9.123 337 HB3 PHE 48 1HB PHE 48 0.532 -1.723 9.204 338 HD1 PHE 48 2HD PHE 48 -2.209 0.779 8.741 339 HD2 PHE 48 1HD PHE 48 -0.609 -3.022 7.740 340 HE1 PHE 48 2HE PHE 48 -4.055 0.414 7.164 341 HE2 PHE 48 1HE PHE 48 -2.445 -3.395 6.164 342 HZ PHE 48 HZ PHE 48 -4.177 -1.668 5.879 343 H LYS 49 H LYS 49 0.769 0.683 12.126 344 HA LYS 49 HA LYS 49 2.722 -1.203 12.800 345 HB2 LYS 49 2HB LYS 49 3.752 0.449 14.242 346 HB3 LYS 49 1HB LYS 49 3.411 1.076 12.632 347 HG2 LYS 49 2HG LYS 49 2.953 2.845 14.048 348 HG3 LYS 49 1HG LYS 49 1.362 2.133 13.793 349 HD2 LYS 49 2HD LYS 49 1.524 0.963 15.883 350 HD3 LYS 49 1HD LYS 49 3.155 1.574 16.141 351 HE2 LYS 49 2HE LYS 49 2.263 3.898 16.084 352 HE3 LYS 49 1HE LYS 49 0.636 3.239 15.968 353 HZ1 LYS 49 3HZ LYS 49 1.167 3.859 18.230 354 HZ2 LYS 49 1HZ LYS 49 2.530 2.873 18.207 355 HZ3 LYS 49 2HZ LYS 49 1.011 2.170 18.158 356 H LYS 50 H LYS 50 -0.128 -0.311 14.521 357 HA LYS 50 HA LYS 50 0.612 -1.787 16.803 358 HB2 LYS 50 2HB LYS 50 -2.129 -1.028 15.856 359 HB3 LYS 50 1HB LYS 50 -1.833 -1.944 17.312 360 HG2 LYS 50 2HG LYS 50 -2.014 0.117 18.177 361 HG3 LYS 50 1HG LYS 50 -0.281 0.081 17.905 362 HD2 LYS 50 2HD LYS 50 -1.140 2.198 17.185 363 HD3 LYS 50 1HD LYS 50 -0.697 1.271 15.753 364 HE2 LYS 50 2HE LYS 50 -2.900 0.720 15.282 365 HE3 LYS 50 1HE LYS 50 -3.491 1.272 16.852 366 HZ1 LYS 50 3HZ LYS 50 -2.936 3.530 16.202 367 HZ2 LYS 50 1HZ LYS 50 -4.019 2.882 15.115 368 HZ3 LYS 50 2HZ LYS 50 -2.374 2.997 14.692 369 H LYS 51 H LYS 51 -1.310 -2.636 13.927 370 HA LYS 51 HA LYS 51 -1.983 -5.141 14.999 371 HB2 LYS 51 2HB LYS 51 -2.375 -4.014 12.270 372 HB3 LYS 51 1HB LYS 51 -2.950 -5.597 12.773 373 HG2 LYS 51 2HG LYS 51 -4.259 -4.525 14.573 374 HG3 LYS 51 1HG LYS 51 -3.740 -2.947 13.969 375 HD2 LYS 51 2HD LYS 51 -4.712 -3.457 11.830 376 HD3 LYS 51 1HD LYS 51 -5.269 -5.016 12.430 377 HE2 LYS 51 2HE LYS 51 -6.142 -2.304 13.480 378 HE3 LYS 51 1HE LYS 51 -7.103 -3.354 12.449 379 HZ1 LYS 51 3HZ LYS 51 -7.112 -5.014 14.238 380 HZ2 LYS 51 1HZ LYS 51 -7.764 -3.555 14.758 381 HZ3 LYS 51 2HZ LYS 51 -6.209 -3.991 15.221 382 H PHE 52 H PHE 52 0.412 -4.210 12.503 383 HA PHE 52 HA PHE 52 1.105 -7.070 12.399 384 HB2 PHE 52 2HB PHE 52 1.896 -4.865 10.493 385 HB3 PHE 52 1HB PHE 52 2.373 -6.547 10.347 386 HD1 PHE 52 2HD PHE 52 0.432 -8.272 10.202 387 HD2 PHE 52 1HD PHE 52 0.001 -4.122 9.432 388 HE1 PHE 52 2HE PHE 52 -1.592 -8.728 8.875 389 HE2 PHE 52 1HE PHE 52 -2.016 -4.575 8.110 390 HZ PHE 52 HZ PHE 52 -2.818 -6.879 7.836 391 H GLY 53 H GLY 53 2.308 -4.038 13.461 392 HA2 GLY 53 2HA GLY 53 4.275 -3.392 14.476 393 HA3 GLY 53 1HA GLY 53 4.355 -5.050 15.040 394 H GLY 54 H GLY 54 4.665 -3.665 11.767 395 HA2 GLY 54 2HA GLY 54 7.146 -5.220 11.517 396 HA3 GLY 54 1HA GLY 54 6.101 -4.761 10.183 397 H VAL 55 H VAL 55 6.938 -2.453 12.668 398 HA VAL 55 HA VAL 55 7.878 -0.568 10.799 399 HB VAL 55 HB VAL 55 8.361 -0.623 13.796 400 HG11 VAL 55 1HG1 VAL 55 8.598 1.801 13.601 401 HG12 VAL 55 2HG1 VAL 55 8.420 1.668 11.847 402 HG13 VAL 55 3HG1 VAL 55 9.813 0.940 12.651 403 HG21 VAL 55 3HG2 VAL 55 6.381 0.812 13.964 404 HG22 VAL 55 1HG2 VAL 55 5.982 -0.767 13.291 405 HG23 VAL 55 2HG2 VAL 55 6.112 0.636 12.231 406 H GLN 56 H GLN 56 9.535 -2.702 13.072 407 HA GLN 56 HA GLN 56 12.075 -1.863 12.444 408 HB2 GLN 56 2HB GLN 56 10.974 -4.195 13.779 409 HB3 GLN 56 1HB GLN 56 12.708 -4.041 13.468 410 HG2 GLN 56 2HG GLN 56 12.831 -1.994 14.605 411 HG3 GLN 56 1HG GLN 56 11.073 -1.889 14.713 412 HE21 GLN 56 1HE2 GLN 56 10.014 -3.164 16.017 413 HE22 GLN 56 2HE2 GLN 56 10.876 -3.953 17.286 414 H GLU 57 H GLU 57 9.973 -4.270 11.094 415 HA GLU 57 HA GLU 57 11.931 -5.595 9.546 416 HB2 GLU 57 2HB GLU 57 8.946 -5.381 9.093 417 HB3 GLU 57 1HB GLU 57 10.017 -6.505 8.270 418 HG2 GLU 57 2HG GLU 57 10.550 -7.538 10.449 419 HG3 GLU 57 1HG GLU 57 9.397 -6.446 11.211 420 H LEU 58 H LEU 58 10.061 -2.729 9.157 421 HA LEU 58 HA LEU 58 10.673 -2.278 6.406 422 HB2 LEU 58 2HB LEU 58 9.884 -0.329 8.572 423 HB3 LEU 58 1HB LEU 58 9.949 0.043 6.864 424 HG LEU 58 HG LEU 58 8.073 -1.932 8.153 425 HD11 LEU 58 1HD1 LEU 58 7.547 0.372 8.737 426 HD12 LEU 58 2HD1 LEU 58 6.351 -0.273 7.611 427 HD13 LEU 58 3HD1 LEU 58 7.599 0.830 7.036 428 HD21 LEU 58 3HD2 LEU 58 8.260 -0.920 5.322 429 HD22 LEU 58 1HD2 LEU 58 6.988 -1.959 5.958 430 HD23 LEU 58 2HD2 LEU 58 8.645 -2.556 5.866 431 H LEU 59 H LEU 59 11.966 -0.977 9.447 432 HA LEU 59 HA LEU 59 13.945 0.566 8.150 433 HB2 LEU 59 2HB LEU 59 13.620 -0.176 11.038 434 HB3 LEU 59 1HB LEU 59 14.937 0.824 10.459 435 HG LEU 59 HG LEU 59 12.005 1.512 10.186 436 HD11 LEU 59 1HD1 LEU 59 12.751 1.617 12.519 437 HD12 LEU 59 2HD1 LEU 59 12.481 3.233 11.845 438 HD13 LEU 59 3HD1 LEU 59 14.117 2.622 12.023 439 HD21 LEU 59 3HD2 LEU 59 14.498 3.099 9.572 440 HD22 LEU 59 1HD2 LEU 59 12.848 3.714 9.518 441 HD23 LEU 59 2HD2 LEU 59 13.357 2.460 8.390 442 H ASN 60 H ASN 60 14.116 -2.644 9.567 443 HA ASN 60 HA ASN 60 16.930 -2.802 9.220 444 HB2 ASN 60 2HB ASN 60 14.895 -4.985 9.574 445 HB3 ASN 60 1HB ASN 60 16.583 -5.361 9.248 446 HD21 ASN 60 1HD2 ASN 60 14.341 -4.048 11.524 447 HD22 ASN 60 2HD2 ASN 60 15.382 -4.062 12.896 448 H GLN 61 H GLN 61 14.357 -3.379 6.941 449 HA GLN 61 HA GLN 61 16.099 -4.537 4.986 450 HB2 GLN 61 2HB GLN 61 13.379 -3.251 4.670 451 HB3 GLN 61 1HB GLN 61 14.257 -4.004 3.347 452 HG2 GLN 61 2HG GLN 61 14.190 -6.143 4.537 453 HG3 GLN 61 1HG GLN 61 13.301 -5.373 5.850 454 HE21 GLN 61 1HE2 GLN 61 11.187 -4.791 5.527 455 HE22 GLN 61 2HE2 GLN 61 10.222 -5.418 4.230 456 H GLN 62 H GLN 62 15.432 -1.347 6.065 457 HA GLN 62 HA GLN 62 15.932 0.633 5.567 458 HB2 GLN 62 2HB GLN 62 18.169 -0.635 5.934 459 HB3 GLN 62 1HB GLN 62 18.421 -0.219 4.235 460 HG2 GLN 62 2HG GLN 62 17.876 2.100 4.774 461 HG3 GLN 62 1HG GLN 62 17.754 1.555 6.453 462 HE21 GLN 62 1HE2 GLN 62 19.552 3.510 5.233 463 HE22 GLN 62 2HE2 GLN 62 21.166 3.017 5.578 464 H LYS 63 H LYS 63 14.786 1.791 4.198 465 HA LYS 63 HA LYS 63 15.313 1.416 1.437 466 HB2 LYS 63 2HB LYS 63 12.920 2.074 1.046 467 HB3 LYS 63 1HB LYS 63 13.091 0.524 1.815 468 HG2 LYS 63 2HG LYS 63 12.475 3.061 3.257 469 HG3 LYS 63 1HG LYS 63 11.309 1.892 2.643 470 HD2 LYS 63 2HD LYS 63 12.289 0.197 4.036 471 HD3 LYS 63 1HD LYS 63 13.428 1.302 4.687 472 HE2 LYS 63 2HE LYS 63 10.443 1.611 4.982 473 HE3 LYS 63 1HE LYS 63 11.586 1.154 6.246 474 HZ1 LYS 63 3HZ LYS 63 12.649 3.336 6.019 475 HZ2 LYS 63 1HZ LYS 63 11.040 3.494 6.425 476 HZ3 LYS 63 2HZ LYS 63 11.532 3.786 4.838 477 H LYS 64 H LYS 64 15.829 3.343 0.422 478 HA LYS 64 HA LYS 64 15.837 5.778 1.998 479 HB2 LYS 64 2HB LYS 64 16.926 5.146 -0.752 480 HB3 LYS 64 1HB LYS 64 17.098 6.685 0.072 481 HG2 LYS 64 2HG LYS 64 18.196 4.067 1.067 482 HG3 LYS 64 1HG LYS 64 19.120 5.285 0.183 483 HD2 LYS 64 2HD LYS 64 18.658 6.905 1.974 484 HD3 LYS 64 1HD LYS 64 17.774 5.660 2.861 485 HE2 LYS 64 2HE LYS 64 19.772 4.316 3.025 486 HE3 LYS 64 1HE LYS 64 20.682 5.493 2.072 487 HZ1 LYS 64 3HZ LYS 64 20.336 7.100 3.826 488 HZ2 LYS 64 1HZ LYS 64 21.094 5.734 4.433 489 HZ3 LYS 64 2HZ LYS 64 19.456 5.993 4.737 490 H SER 65 H SER 65 15.254 7.757 0.741 491 HA SER 65 HA SER 65 12.577 7.772 -0.046 492 HB2 SER 65 2HB SER 65 14.745 9.732 -0.800 493 HB3 SER 65 1HB SER 65 13.013 10.050 -0.782 494 HG SER 65 HG SER 65 14.374 9.203 1.576 495 H GLY 66 H GLY 66 11.788 6.743 -1.792 496 HA2 GLY 66 2HA GLY 66 11.588 6.805 -4.213 497 HA3 GLY 66 1HA GLY 66 13.345 6.852 -4.293 498 H GLU 67 H GLU 67 12.511 4.782 -1.843 499 HA GLU 67 HA GLU 67 12.502 2.468 -3.611 500 HB2 GLU 67 2HB GLU 67 13.692 2.734 -0.838 501 HB3 GLU 67 1HB GLU 67 13.573 1.227 -1.730 502 HG2 GLU 67 2HG GLU 67 15.030 2.205 -3.472 503 HG3 GLU 67 1HG GLU 67 15.199 3.643 -2.464 504 H VAL 68 H VAL 68 11.451 0.596 -2.597 505 HA VAL 68 HA VAL 68 9.199 1.497 -0.949 506 HB VAL 68 HB VAL 68 8.531 0.950 -3.305 507 HG11 VAL 68 1HG1 VAL 68 10.145 -0.783 -3.780 508 HG12 VAL 68 2HG1 VAL 68 8.502 -1.363 -4.079 509 HG13 VAL 68 3HG1 VAL 68 9.369 -1.852 -2.618 510 HG21 VAL 68 3HG2 VAL 68 6.653 -0.444 -2.787 511 HG22 VAL 68 1HG2 VAL 68 6.916 0.725 -1.493 512 HG23 VAL 68 2HG2 VAL 68 7.408 -0.966 -1.275 513 H ALA 69 H ALA 69 8.719 0.303 0.776 514 HA ALA 69 HA ALA 69 10.469 -1.969 1.348 515 HB1 ALA 69 1HB ALA 69 10.507 -0.183 3.006 516 HB2 ALA 69 2HB ALA 69 9.803 -1.645 3.691 517 HB3 ALA 69 3HB ALA 69 8.760 -0.307 3.204 518 H VAL 70 H VAL 70 9.547 -3.941 1.998 519 HA VAL 70 HA VAL 70 6.678 -4.161 1.446 520 HB VAL 70 HB VAL 70 8.790 -6.113 0.513 521 HG11 VAL 70 1HG1 VAL 70 5.838 -6.054 -0.023 522 HG12 VAL 70 2HG1 VAL 70 6.693 -7.205 1.012 523 HG13 VAL 70 3HG1 VAL 70 6.988 -7.191 -0.731 524 HG21 VAL 70 3HG2 VAL 70 7.193 -4.149 -1.149 525 HG22 VAL 70 1HG2 VAL 70 8.243 -5.409 -1.798 526 HG23 VAL 70 2HG2 VAL 70 8.929 -4.095 -0.847 527 H LEU 71 H LEU 71 5.636 -5.425 2.816 528 HA LEU 71 HA LEU 71 7.163 -7.135 4.686 529 HB2 LEU 71 2HB LEU 71 4.454 -5.859 5.169 530 HB3 LEU 71 1HB LEU 71 5.295 -6.899 6.266 531 HG LEU 71 HG LEU 71 6.158 -4.118 5.484 532 HD11 LEU 71 1HD1 LEU 71 5.695 -3.592 7.822 533 HD12 LEU 71 2HD1 LEU 71 5.152 -5.246 8.089 534 HD13 LEU 71 3HD1 LEU 71 4.247 -4.187 7.010 535 HD21 LEU 71 3HD2 LEU 71 8.100 -5.545 5.833 536 HD22 LEU 71 1HD2 LEU 71 7.436 -6.092 7.373 537 HD23 LEU 71 2HD2 LEU 71 7.917 -4.407 7.166 538 H LYS 72 H LYS 72 6.627 -9.244 4.609 539 HA LYS 72 HA LYS 72 4.464 -9.953 2.793 540 HB2 LYS 72 2HB LYS 72 6.616 -10.973 2.454 541 HB3 LYS 72 1HB LYS 72 6.559 -11.636 4.106 542 HG2 LYS 72 2HG LYS 72 4.660 -13.024 3.451 543 HG3 LYS 72 1HG LYS 72 4.714 -12.345 1.825 544 HD2 LYS 72 2HD LYS 72 6.982 -13.241 1.530 545 HD3 LYS 72 1HD LYS 72 6.911 -13.934 3.150 546 HE2 LYS 72 2HE LYS 72 5.007 -15.312 2.465 547 HE3 LYS 72 1HE LYS 72 5.091 -14.611 0.852 548 HZ1 LYS 72 3HZ LYS 72 7.287 -15.548 0.591 549 HZ2 LYS 72 1HZ LYS 72 6.176 -16.766 0.923 550 HZ3 LYS 72 2HZ LYS 72 7.231 -16.242 2.127 551 H ARG 73 H ARG 73 2.673 -10.497 3.528 552 HA ARG 73 HA ARG 73 2.429 -11.479 6.284 553 HB2 ARG 73 2HB ARG 73 0.668 -9.316 5.121 554 HB3 ARG 73 1HB ARG 73 0.352 -10.135 6.635 555 HG2 ARG 73 2HG ARG 73 2.715 -8.363 6.008 556 HG3 ARG 73 1HG ARG 73 1.329 -7.949 7.017 557 HD2 ARG 73 2HD ARG 73 3.433 -10.045 7.571 558 HD3 ARG 73 1HD ARG 73 3.202 -8.518 8.415 559 HE ARG 73 HE ARG 73 0.916 -10.263 8.465 560 HH11 ARG 73 1HH1 ARG 73 3.899 -9.375 10.159 561 HH12 ARG 73 2HH1 ARG 73 3.418 -10.064 11.639 562 HH21 ARG 73 1HH2 ARG 73 0.263 -11.196 10.505 563 HH22 ARG 73 2HH2 ARG 73 1.328 -11.118 11.833 564 H ASP 74 H ASP 74 2.298 -13.458 5.331 565 HA ASP 74 HA ASP 74 1.368 -15.239 4.250 566 HB2 ASP 74 2HB ASP 74 0.853 -15.380 6.635 567 HB3 ASP 74 1HB ASP 74 -0.698 -14.602 6.349 568 H GLY 75 H GLY 75 0.933 -14.560 2.181 569 HA2 GLY 75 2HA GLY 75 -0.839 -15.204 0.633 570 HA3 GLY 75 1HA GLY 75 -1.958 -14.332 1.674 571 H ARG 76 H ARG 76 -0.414 -11.979 2.070 572 HA ARG 76 HA ARG 76 -0.029 -11.019 -0.645 573 HB2 ARG 76 2HB ARG 76 -1.323 -9.000 -0.178 574 HB3 ARG 76 1HB ARG 76 -2.300 -10.457 -0.158 575 HG2 ARG 76 2HG ARG 76 -2.301 -10.452 2.264 576 HG3 ARG 76 1HG ARG 76 -1.285 -9.001 2.270 577 HD2 ARG 76 2HD ARG 76 -2.989 -7.767 1.121 578 HD3 ARG 76 1HD ARG 76 -3.974 -9.231 0.989 579 HE ARG 76 HE ARG 76 -3.509 -8.832 3.663 580 HH11 ARG 76 1HH1 ARG 76 -5.056 -7.021 1.011 581 HH12 ARG 76 2HH1 ARG 76 -6.164 -6.228 2.021 582 HH21 ARG 76 1HH2 ARG 76 -5.075 -7.727 5.052 583 HH22 ARG 76 2HH2 ARG 76 -6.193 -6.642 4.353 584 H TYR 77 H TYR 77 0.900 -8.832 -0.693 585 HA TYR 77 HA TYR 77 2.915 -8.616 1.413 586 HB2 TYR 77 2HB TYR 77 2.944 -7.504 -1.399 587 HB3 TYR 77 1HB TYR 77 4.253 -7.406 -0.224 588 HD1 TYR 77 1HD TYR 77 5.328 -9.572 0.550 589 HD2 TYR 77 2HD TYR 77 2.732 -9.353 -2.808 590 HE1 TYR 77 1HE TYR 77 6.205 -11.717 -0.263 591 HE2 TYR 77 2HE TYR 77 3.601 -11.492 -3.627 592 HH TYR 77 HH TYR 77 5.698 -12.839 -3.379 593 H ILE 78 H ILE 78 3.276 -6.660 2.376 594 HA ILE 78 HA ILE 78 1.217 -4.609 1.959 595 HB ILE 78 HB ILE 78 3.161 -4.794 4.285 596 HG12 ILE 78 2HG1 ILE 78 1.867 -6.908 4.229 597 HG13 ILE 78 1HG1 ILE 78 1.455 -5.918 5.622 598 HG21 ILE 78 1HG2 ILE 78 0.478 -3.479 3.967 599 HG22 ILE 78 2HG2 ILE 78 2.045 -2.662 3.997 600 HG23 ILE 78 3HG2 ILE 78 1.433 -3.482 5.442 601 HD11 ILE 78 3HD1 ILE 78 -0.570 -5.193 4.481 602 HD12 ILE 78 1HD1 ILE 78 -0.483 -6.952 4.666 603 HD13 ILE 78 2HD1 ILE 78 -0.138 -6.208 3.094 604 H TYR 79 H TYR 79 1.929 -2.853 0.929 605 HA TYR 79 HA TYR 79 4.801 -2.512 0.507 606 HB2 TYR 79 2HB TYR 79 2.441 -1.387 -0.976 607 HB3 TYR 79 1HB TYR 79 4.110 -0.959 -1.309 608 HD1 TYR 79 1HD TYR 79 1.658 -3.732 -1.359 609 HD2 TYR 79 2HD TYR 79 5.482 -2.344 -2.570 610 HE1 TYR 79 1HE TYR 79 1.867 -5.652 -2.884 611 HE2 TYR 79 2HE TYR 79 5.706 -4.230 -4.078 612 HH TYR 79 HH TYR 79 3.107 -6.299 -4.843 613 H TYR 80 H TYR 80 5.846 -0.701 0.882 614 HA TYR 80 HA TYR 80 4.430 1.559 2.029 615 HB2 TYR 80 2HB TYR 80 6.872 0.208 3.163 616 HB3 TYR 80 1HB TYR 80 6.361 1.820 3.645 617 HD1 TYR 80 2HD TYR 80 5.615 -1.767 3.817 618 HD2 TYR 80 1HD TYR 80 4.415 2.117 5.049 619 HE1 TYR 80 2HE TYR 80 4.135 -2.761 5.486 620 HE2 TYR 80 1HE TYR 80 2.919 1.130 6.728 621 HH TYR 80 HH TYR 80 3.078 -2.126 7.604 622 H LEU 81 H LEU 81 4.642 2.862 0.358 623 HA LEU 81 HA LEU 81 7.006 3.158 -1.256 624 HB2 LEU 81 2HB LEU 81 4.498 4.835 -1.006 625 HB3 LEU 81 1HB LEU 81 5.709 5.012 -2.242 626 HG LEU 81 HG LEU 81 3.829 3.995 -3.199 627 HD11 LEU 81 1HD1 LEU 81 4.644 1.831 -3.993 628 HD12 LEU 81 2HD1 LEU 81 5.949 1.929 -2.808 629 HD13 LEU 81 3HD1 LEU 81 5.826 3.126 -4.091 630 HD21 LEU 81 3HD2 LEU 81 2.842 1.862 -2.497 631 HD22 LEU 81 1HD2 LEU 81 2.673 3.114 -1.267 632 HD23 LEU 81 2HD2 LEU 81 3.896 1.855 -1.083 633 H ILE 82 H ILE 82 8.709 4.400 -0.616 634 HA ILE 82 HA ILE 82 8.361 6.211 1.634 635 HB ILE 82 HB ILE 82 10.844 5.780 -0.034 636 HG12 ILE 82 2HG1 ILE 82 10.157 3.660 0.959 637 HG13 ILE 82 1HG1 ILE 82 11.612 4.275 1.726 638 HG21 ILE 82 1HG2 ILE 82 11.994 6.703 1.946 639 HG22 ILE 82 2HG2 ILE 82 10.415 6.930 2.715 640 HG23 ILE 82 3HG2 ILE 82 10.820 7.845 1.268 641 HD11 ILE 82 3HD1 ILE 82 10.242 5.033 3.629 642 HD12 ILE 82 1HD1 ILE 82 10.184 3.299 3.336 643 HD13 ILE 82 2HD1 ILE 82 8.810 4.319 2.880 644 H THR 83 H THR 83 7.484 8.059 1.242 645 HA THR 83 HA THR 83 7.978 9.316 -1.307 646 HB THR 83 HB THR 83 6.193 10.900 -0.572 647 HG1 THR 83 1HG THR 83 4.870 9.966 1.203 648 HG21 THR 83 3HG2 THR 83 5.747 9.029 -2.057 649 HG22 THR 83 1HG2 THR 83 4.383 9.279 -0.966 650 HG23 THR 83 2HG2 THR 83 5.523 7.960 -0.677 651 H LYS 84 H LYS 84 8.504 10.030 2.228 652 HA LYS 84 HA LYS 84 10.340 11.991 1.296 653 HB2 LYS 84 2HB LYS 84 9.631 13.546 2.960 654 HB3 LYS 84 1HB LYS 84 8.299 13.158 1.921 655 HG2 LYS 84 2HG LYS 84 8.625 11.953 4.686 656 HG3 LYS 84 1HG LYS 84 7.683 13.397 4.351 657 HD2 LYS 84 2HD LYS 84 6.230 12.059 2.861 658 HD3 LYS 84 1HD LYS 84 7.170 10.622 3.262 659 HE2 LYS 84 2HE LYS 84 5.151 10.668 4.596 660 HE3 LYS 84 1HE LYS 84 6.543 10.906 5.638 661 HZ1 LYS 84 3HZ LYS 84 6.036 13.356 5.595 662 HZ2 LYS 84 1HZ LYS 84 4.846 12.420 6.276 663 HZ3 LYS 84 2HZ LYS 84 4.619 13.013 4.734 664 H LYS 85 H LYS 85 12.063 12.244 2.612 665 HA LYS 85 HA LYS 85 13.162 10.011 3.877 666 HB2 LYS 85 2HB LYS 85 14.430 11.870 2.892 667 HB3 LYS 85 1HB LYS 85 13.877 12.932 4.175 668 HG2 LYS 85 2HG LYS 85 15.083 11.665 5.785 669 HG3 LYS 85 1HG LYS 85 15.604 10.494 4.550 670 HD2 LYS 85 2HD LYS 85 16.689 12.437 3.371 671 HD3 LYS 85 1HD LYS 85 16.297 13.422 4.778 672 HE2 LYS 85 2HE LYS 85 18.569 12.654 4.943 673 HE3 LYS 85 1HE LYS 85 17.583 11.892 6.189 674 HZ1 LYS 85 3HZ LYS 85 19.063 10.285 5.135 675 HZ2 LYS 85 1HZ LYS 85 18.415 10.621 3.627 676 HZ3 LYS 85 2HZ LYS 85 17.470 9.859 4.767 677 H ARG 86 H ARG 86 12.200 13.030 5.463 678 HA ARG 86 HA ARG 86 12.018 11.644 8.052 679 HB2 ARG 86 2HB ARG 86 13.444 13.737 7.380 680 HB3 ARG 86 1HB ARG 86 11.921 14.578 7.489 681 HG2 ARG 86 2HG ARG 86 13.404 13.145 9.643 682 HG3 ARG 86 1HG ARG 86 13.222 14.887 9.370 683 HD2 ARG 86 2HD ARG 86 10.781 14.614 9.713 684 HD3 ARG 86 1HD ARG 86 11.047 12.931 10.097 685 HE ARG 86 HE ARG 86 12.591 14.663 11.749 686 HH11 ARG 86 1HH1 ARG 86 9.394 13.102 11.419 687 HH12 ARG 86 2HH1 ARG 86 8.988 13.286 13.044 688 HH21 ARG 86 1HH2 ARG 86 12.008 14.863 14.012 689 HH22 ARG 86 2HH2 ARG 86 10.521 14.274 14.572 690 H ALA 87 H ALA 87 10.140 11.575 9.048 691 HA ALA 87 HA ALA 87 7.713 11.512 7.702 692 HB1 ALA 87 1HB ALA 87 8.111 10.470 9.851 693 HB2 ALA 87 2HB ALA 87 6.616 11.405 9.847 694 HB3 ALA 87 3HB ALA 87 8.060 12.046 10.638 695 H SER 88 H SER 88 9.133 14.321 9.213 696 HA SER 88 HA SER 88 6.733 15.879 9.141 697 HB2 SER 88 2HB SER 88 8.495 16.256 10.828 698 HB3 SER 88 1HB SER 88 9.617 16.705 9.556 699 HG SER 88 HG SER 88 7.178 18.071 9.823 700 H HIS 89 H HIS 89 8.722 14.832 6.703 701 HA HIS 89 HA HIS 89 8.725 17.273 5.138 702 HB2 HIS 89 2HB HIS 89 9.672 14.473 4.525 703 HB3 HIS 89 1HB HIS 89 9.794 15.771 3.375 704 HD1 HIS 89 1HD HIS 89 12.382 14.517 4.108 705 HD2 HIS 89 2HD HIS 89 10.788 17.654 6.277 706 HE1 HIS 89 1HE HIS 89 14.281 15.369 5.563 707 HE2 HIS 89 2HE HIS 89 13.369 17.485 6.527 708 H LYS 90 H LYS 90 7.886 17.220 2.968 709 HA LYS 90 HA LYS 90 5.314 15.855 2.869 710 HB2 LYS 90 2HB LYS 90 6.375 18.240 1.335 711 HB3 LYS 90 1HB LYS 90 4.778 17.541 1.104 712 HG2 LYS 90 2HG LYS 90 4.167 18.096 3.377 713 HG3 LYS 90 1HG LYS 90 5.788 18.715 3.688 714 HD2 LYS 90 2HD LYS 90 5.443 20.447 2.000 715 HD3 LYS 90 1HD LYS 90 3.825 19.819 1.679 716 HE2 LYS 90 2HE LYS 90 3.148 20.315 3.956 717 HE3 LYS 90 1HE LYS 90 4.777 20.854 4.346 718 HZ1 LYS 90 3HZ LYS 90 4.536 22.658 2.798 719 HZ2 LYS 90 1HZ LYS 90 3.238 22.686 3.888 720 HZ3 LYS 90 2HZ LYS 90 3.008 22.112 2.320 721 HA PRO 91 HA PRO 91 6.706 12.994 -0.196 722 HB2 PRO 91 2HB PRO 91 4.432 12.745 -1.706 723 HB3 PRO 91 1HB PRO 91 4.633 11.991 -0.120 724 HG2 PRO 91 2HG PRO 91 3.267 14.552 -0.821 725 HG3 PRO 91 1HG PRO 91 2.726 13.249 0.259 726 HD2 PRO 91 2HD PRO 91 3.808 15.494 1.194 727 HD3 PRO 91 1HD PRO 91 4.151 13.927 1.971 728 H THR 92 H THR 92 7.537 12.911 -2.334 729 HA THR 92 HA THR 92 7.189 15.344 -3.836 730 HB THR 92 HB THR 92 9.482 14.406 -4.770 731 HG1 THR 92 1HG THR 92 10.593 13.299 -3.258 732 HG21 THR 92 3HG2 THR 92 10.709 15.635 -3.052 733 HG22 THR 92 1HG2 THR 92 9.297 15.595 -1.996 734 HG23 THR 92 2HG2 THR 92 9.255 16.525 -3.495 735 H TYR 93 H TYR 93 7.257 15.022 -6.171 736 HA TYR 93 HA TYR 93 5.737 12.799 -7.009 737 HB2 TYR 93 2HB TYR 93 7.364 14.736 -8.646 738 HB3 TYR 93 1HB TYR 93 6.287 13.526 -9.306 739 HD1 TYR 93 2HD TYR 93 3.810 13.672 -8.552 740 HD2 TYR 93 1HD TYR 93 6.593 16.866 -8.215 741 HE1 TYR 93 2HE TYR 93 1.983 15.230 -8.502 742 HE2 TYR 93 1HE TYR 93 4.739 18.471 -8.163 743 HH TYR 93 HH TYR 93 2.483 18.585 -8.871 744 H GLU 94 H GLU 94 9.125 13.771 -7.288 745 HA GLU 94 HA GLU 94 10.059 11.746 -8.897 746 HB2 GLU 94 2HB GLU 94 11.303 13.748 -8.437 747 HB3 GLU 94 1HB GLU 94 11.440 13.319 -6.740 748 HG2 GLU 94 2HG GLU 94 12.799 11.445 -7.295 749 HG3 GLU 94 1HG GLU 94 12.601 11.777 -9.019 750 H ASN 95 H ASN 95 10.068 11.882 -5.338 751 HA ASN 95 HA ASN 95 11.124 9.272 -5.028 752 HB2 ASN 95 2HB ASN 95 9.696 11.155 -3.249 753 HB3 ASN 95 1HB ASN 95 10.042 9.509 -2.644 754 HD21 ASN 95 1HD2 ASN 95 10.904 11.927 -1.537 755 HD22 ASN 95 2HD2 ASN 95 12.627 12.051 -1.700 756 H LEU 96 H LEU 96 7.814 10.515 -5.063 757 HA LEU 96 HA LEU 96 6.646 8.035 -4.543 758 HB2 LEU 96 2HB LEU 96 5.510 10.221 -4.362 759 HB3 LEU 96 1HB LEU 96 5.485 10.330 -6.108 760 HG LEU 96 HG LEU 96 3.963 8.411 -6.220 761 HD11 LEU 96 1HD1 LEU 96 4.742 7.223 -4.201 762 HD12 LEU 96 2HD1 LEU 96 3.001 7.484 -4.186 763 HD13 LEU 96 3HD1 LEU 96 4.044 8.500 -3.201 764 HD21 LEU 96 3HD2 LEU 96 3.019 10.619 -6.069 765 HD22 LEU 96 1HD2 LEU 96 3.124 10.577 -4.307 766 HD23 LEU 96 2HD2 LEU 96 2.043 9.472 -5.151 767 H GLN 97 H GLN 97 7.684 9.441 -7.688 768 HA GLN 97 HA GLN 97 6.562 7.518 -9.390 769 HB2 GLN 97 2HB GLN 97 9.175 9.018 -9.620 770 HB3 GLN 97 1HB GLN 97 8.441 8.079 -10.905 771 HG2 GLN 97 2HG GLN 97 6.538 9.556 -10.909 772 HG3 GLN 97 1HG GLN 97 7.260 10.437 -9.553 773 HE21 GLN 97 1HE2 GLN 97 7.486 9.780 -12.977 774 HE22 GLN 97 2HE2 GLN 97 8.547 11.086 -13.341 775 H LYS 98 H LYS 98 9.674 7.732 -7.879 776 HA LYS 98 HA LYS 98 10.752 5.340 -8.861 777 HB2 LYS 98 2HB LYS 98 11.425 6.851 -6.354 778 HB3 LYS 98 1HB LYS 98 12.404 5.542 -6.988 779 HG2 LYS 98 2HG LYS 98 12.738 6.853 -9.059 780 HG3 LYS 98 1HG LYS 98 11.812 8.167 -8.333 781 HD2 LYS 98 2HD LYS 98 13.437 8.351 -6.539 782 HD3 LYS 98 1HD LYS 98 14.343 6.992 -7.210 783 HE2 LYS 98 2HE LYS 98 14.718 8.299 -9.270 784 HE3 LYS 98 1HE LYS 98 13.859 9.653 -8.546 785 HZ1 LYS 98 3HZ LYS 98 15.573 9.762 -6.825 786 HZ2 LYS 98 1HZ LYS 98 16.248 9.913 -8.349 787 HZ3 LYS 98 2HZ LYS 98 16.381 8.456 -7.520 788 H SER 99 H SER 99 9.003 5.950 -5.856 789 HA SER 99 HA SER 99 9.206 3.280 -4.906 790 HB2 SER 99 2HB SER 99 7.387 4.023 -3.313 791 HB3 SER 99 1HB SER 99 8.813 5.035 -3.324 792 HG SER 99 HG SER 99 7.777 6.591 -4.250 793 H LEU 100 H LEU 100 6.585 4.930 -6.770 794 HA LEU 100 HA LEU 100 4.874 2.714 -7.067 795 HB2 LEU 100 2HB LEU 100 5.436 5.208 -8.623 796 HB3 LEU 100 1HB LEU 100 4.469 3.962 -9.366 797 HG LEU 100 HG LEU 100 3.326 5.920 -8.240 798 HD11 LEU 100 1HD1 LEU 100 1.477 4.437 -7.439 799 HD12 LEU 100 2HD1 LEU 100 2.595 3.073 -7.498 800 HD13 LEU 100 3HD1 LEU 100 2.144 3.910 -8.982 801 HD21 LEU 100 3HD2 LEU 100 2.821 5.645 -5.852 802 HD22 LEU 100 1HD2 LEU 100 4.538 5.920 -6.134 803 HD23 LEU 100 2HD2 LEU 100 3.953 4.296 -5.778 804 H GLU 101 H GLU 101 7.713 3.600 -9.036 805 HA GLU 101 HA GLU 101 7.289 1.543 -10.929 806 HB2 GLU 101 2HB GLU 101 9.961 2.683 -10.102 807 HB3 GLU 101 1HB GLU 101 9.626 1.795 -11.578 808 HG2 GLU 101 2HG GLU 101 7.973 3.549 -12.092 809 HG3 GLU 101 1HG GLU 101 8.656 4.500 -10.789 810 H ALA 102 H ALA 102 9.243 1.726 -8.134 811 HA ALA 102 HA ALA 102 10.287 -0.886 -8.097 812 HB1 ALA 102 1HB ALA 102 11.039 0.942 -6.579 813 HB2 ALA 102 2HB ALA 102 10.693 -0.577 -5.741 814 HB3 ALA 102 3HB ALA 102 9.530 0.730 -5.672 815 H MET 103 H MET 103 7.298 0.394 -6.670 816 HA MET 103 HA MET 103 6.409 -1.984 -5.593 817 HB2 MET 103 2HB MET 103 5.455 0.015 -4.791 818 HB3 MET 103 1HB MET 103 4.987 0.534 -6.403 819 HG2 MET 103 2HG MET 103 3.354 -0.914 -6.565 820 HG3 MET 103 1HG MET 103 3.822 -1.951 -5.184 821 HE1 MET 103 3HE MET 103 3.341 1.953 -5.725 822 HE2 MET 103 1HE MET 103 1.704 2.165 -5.098 823 HE3 MET 103 2HE MET 103 1.975 1.182 -6.537 824 H LYS 104 H LYS 104 5.656 -0.552 -8.829 825 HA LYS 104 HA LYS 104 3.994 -2.686 -9.473 826 HB2 LYS 104 2HB LYS 104 4.041 -1.851 -11.772 827 HB3 LYS 104 1HB LYS 104 3.734 -0.594 -10.607 828 HG2 LYS 104 2HG LYS 104 5.010 0.309 -12.257 829 HG3 LYS 104 1HG LYS 104 6.102 0.084 -10.880 830 HD2 LYS 104 2HD LYS 104 7.017 -1.905 -11.986 831 HD3 LYS 104 1HD LYS 104 5.847 -1.650 -13.306 832 HE2 LYS 104 2HE LYS 104 6.883 0.414 -13.901 833 HE3 LYS 104 1HE LYS 104 7.970 0.337 -12.516 834 HZ1 LYS 104 3HZ LYS 104 9.041 -0.288 -14.586 835 HZ2 LYS 104 1HZ LYS 104 7.971 -1.574 -14.799 836 HZ3 LYS 104 2HZ LYS 104 9.050 -1.563 -13.499 837 H SER 105 H SER 105 7.449 -2.242 -9.940 838 HA SER 105 HA SER 105 7.905 -4.484 -11.557 839 HB2 SER 105 2HB SER 105 9.627 -2.820 -11.196 840 HB3 SER 105 1HB SER 105 9.684 -3.193 -9.476 841 HG SER 105 HG SER 105 11.074 -4.254 -11.401 842 H HIS 106 H HIS 106 7.886 -4.133 -8.046 843 HA HIS 106 HA HIS 106 8.507 -6.815 -7.487 844 HB2 HIS 106 2HB HIS 106 8.784 -5.068 -5.811 845 HB3 HIS 106 1HB HIS 106 7.043 -4.788 -5.789 846 HD1 HIS 106 1HD HIS 106 5.912 -5.955 -3.913 847 HD2 HIS 106 2HD HIS 106 9.156 -7.956 -5.374 848 HE1 HIS 106 1HE HIS 106 6.073 -7.901 -2.447 849 HE2 HIS 106 2HE HIS 106 8.330 -8.927 -3.063 850 H CYS 107 H CYS 107 5.521 -5.146 -8.056 851 HA CYS 107 HA CYS 107 3.807 -7.170 -7.131 852 HB2 CYS 107 2HB CYS 107 3.301 -4.689 -7.561 853 HB3 CYS 107 1HB CYS 107 3.223 -5.108 -9.264 854 HG CYS 107 HG CYS 107 0.972 -6.610 -9.118 855 H LEU 108 H LEU 108 5.128 -6.396 -10.381 856 HA LEU 108 HA LEU 108 4.022 -8.482 -11.778 857 HB2 LEU 108 2HB LEU 108 6.461 -6.845 -12.060 858 HB3 LEU 108 1HB LEU 108 6.291 -8.273 -13.049 859 HG LEU 108 HG LEU 108 4.263 -7.375 -14.019 860 HD11 LEU 108 1HD1 LEU 108 3.545 -5.098 -13.623 861 HD12 LEU 108 2HD1 LEU 108 4.777 -4.954 -12.357 862 HD13 LEU 108 3HD1 LEU 108 3.449 -6.095 -12.164 863 HD21 LEU 108 3HD2 LEU 108 5.320 -5.558 -15.280 864 HD22 LEU 108 1HD2 LEU 108 6.391 -6.952 -15.027 865 HD23 LEU 108 2HD2 LEU 108 6.584 -5.518 -14.031 866 H LYS 109 H LYS 109 7.103 -8.453 -9.855 867 HA LYS 109 HA LYS 109 7.843 -10.938 -10.970 868 HB2 LYS 109 2HB LYS 109 9.551 -11.055 -9.311 869 HB3 LYS 109 1HB LYS 109 9.487 -9.458 -10.110 870 HG2 LYS 109 2HG LYS 109 8.320 -8.636 -8.171 871 HG3 LYS 109 1HG LYS 109 8.527 -10.219 -7.415 872 HD2 LYS 109 2HD LYS 109 10.802 -8.427 -8.322 873 HD3 LYS 109 1HD LYS 109 10.306 -8.601 -6.651 874 HE2 LYS 109 2HE LYS 109 10.855 -11.024 -6.786 875 HE3 LYS 109 1HE LYS 109 11.411 -10.759 -8.436 876 HZ1 LYS 109 3HZ LYS 109 13.259 -10.735 -6.900 877 HZ2 LYS 109 1HZ LYS 109 12.576 -9.474 -6.017 878 HZ3 LYS 109 2HZ LYS 109 13.076 -9.232 -7.600 879 H ASN 110 H ASN 110 5.873 -10.178 -8.485 880 HA ASN 110 HA ASN 110 5.776 -13.004 -7.601 881 HB2 ASN 110 2HB ASN 110 4.532 -10.603 -6.270 882 HB3 ASN 110 1HB ASN 110 4.325 -12.264 -5.712 883 HD21 ASN 110 1HD2 ASN 110 6.535 -9.642 -6.111 884 HD22 ASN 110 2HD2 ASN 110 7.773 -10.293 -5.079 885 H GLY 111 H GLY 111 4.124 -11.000 -9.658 886 HA2 GLY 111 2HA GLY 111 2.353 -11.527 -11.038 887 HA3 GLY 111 1HA GLY 111 2.192 -13.051 -10.178 888 H VAL 112 H VAL 112 1.984 -9.699 -9.048 889 HA VAL 112 HA VAL 112 -0.683 -10.320 -8.008 890 HB VAL 112 HB VAL 112 1.221 -8.077 -7.222 891 HG11 VAL 112 1HG1 VAL 112 -1.109 -7.457 -6.907 892 HG12 VAL 112 2HG1 VAL 112 -0.303 -7.674 -5.350 893 HG13 VAL 112 3HG1 VAL 112 -1.379 -8.927 -5.965 894 HG21 VAL 112 3HG2 VAL 112 1.506 -9.276 -5.108 895 HG22 VAL 112 1HG2 VAL 112 2.069 -10.237 -6.485 896 HG23 VAL 112 2HG2 VAL 112 0.509 -10.592 -5.735 897 H THR 113 H THR 113 -2.398 -9.158 -8.754 898 HA THR 113 HA THR 113 -1.889 -6.826 -10.507 899 HB THR 113 HB THR 113 -3.819 -7.611 -11.909 900 HG1 THR 113 1HG THR 113 -4.887 -9.293 -11.323 901 HG21 THR 113 3HG2 THR 113 -1.525 -7.984 -12.658 902 HG22 THR 113 1HG2 THR 113 -2.569 -9.313 -13.166 903 HG23 THR 113 2HG2 THR 113 -1.480 -9.520 -11.792 904 H ASP 114 H ASP 114 -2.993 -7.551 -7.620 905 HA ASP 114 HA ASP 114 -5.074 -5.518 -7.818 906 HB2 ASP 114 2HB ASP 114 -5.319 -8.090 -6.232 907 HB3 ASP 114 1HB ASP 114 -6.372 -6.702 -6.004 908 H LEU 115 H LEU 115 -4.703 -3.908 -6.598 909 HA LEU 115 HA LEU 115 -3.141 -4.198 -4.132 910 HB2 LEU 115 2HB LEU 115 -2.850 -2.166 -6.322 911 HB3 LEU 115 1HB LEU 115 -2.190 -1.892 -4.730 912 HG LEU 115 HG LEU 115 -1.446 -4.225 -6.480 913 HD11 LEU 115 1HD1 LEU 115 0.656 -2.953 -6.880 914 HD12 LEU 115 2HD1 LEU 115 0.002 -1.603 -5.948 915 HD13 LEU 115 3HD1 LEU 115 -0.741 -2.060 -7.482 916 HD21 LEU 115 3HD2 LEU 115 0.414 -4.465 -4.930 917 HD22 LEU 115 1HD2 LEU 115 -1.143 -4.549 -4.081 918 HD23 LEU 115 2HD2 LEU 115 -0.175 -3.084 -4.005 919 H SER 116 H SER 116 -3.725 -2.854 -2.481 920 HA SER 116 HA SER 116 -6.046 -1.162 -2.926 921 HB2 SER 116 2HB SER 116 -6.899 -1.982 -0.711 922 HB3 SER 116 1HB SER 116 -6.938 -3.192 -1.999 923 HG SER 116 HG SER 116 -4.854 -3.898 -1.104 924 H MET 117 H MET 117 -6.085 0.695 -1.732 925 HA MET 117 HA MET 117 -4.363 1.146 0.499 926 HB2 MET 117 2HB MET 117 -3.121 3.029 -0.467 927 HB3 MET 117 1HB MET 117 -2.801 1.601 -1.415 928 HG2 MET 117 2HG MET 117 -4.425 2.355 -3.107 929 HG3 MET 117 1HG MET 117 -4.707 3.826 -2.172 930 HE1 MET 117 3HE MET 117 -0.782 2.729 -4.337 931 HE2 MET 117 1HE MET 117 -2.231 1.721 -4.355 932 HE3 MET 117 2HE MET 117 -1.306 1.918 -2.863 933 HA PRO 118 HA PRO 118 -7.860 3.926 0.918 934 HB2 PRO 118 2HB PRO 118 -7.158 5.369 3.001 935 HB3 PRO 118 1HB PRO 118 -7.304 3.613 3.199 936 HG2 PRO 118 2HG PRO 118 -4.836 5.243 2.718 937 HG3 PRO 118 1HG PRO 118 -5.116 4.021 3.970 938 HD2 PRO 118 2HD PRO 118 -3.843 3.451 1.627 939 HD3 PRO 118 1HD PRO 118 -4.833 2.260 2.491 940 H ARG 119 H ARG 119 -7.981 6.487 1.476 941 HA ARG 119 HA ARG 119 -6.527 7.790 -0.570 942 HB2 ARG 119 2HB ARG 119 -7.582 9.960 0.449 943 HB3 ARG 119 1HB ARG 119 -8.612 8.812 -0.375 944 HG2 ARG 119 2HG ARG 119 -9.749 9.594 1.597 945 HG3 ARG 119 1HG ARG 119 -9.306 7.914 1.852 946 HD2 ARG 119 2HD ARG 119 -7.350 8.718 3.182 947 HD3 ARG 119 1HD ARG 119 -7.956 10.361 2.989 948 HE ARG 119 HE ARG 119 -10.049 8.962 3.997 949 HH11 ARG 119 1HH1 ARG 119 -6.771 9.738 5.073 950 HH12 ARG 119 2HH1 ARG 119 -7.095 9.519 6.728 951 HH21 ARG 119 1HH2 ARG 119 -10.500 8.618 6.313 952 HH22 ARG 119 2HH2 ARG 119 -9.254 8.902 7.441 953 H ILE 120 H ILE 120 -4.520 7.223 -0.052 954 HA ILE 120 HA ILE 120 -3.228 7.861 2.337 955 HB ILE 120 HB ILE 120 -1.092 7.393 1.098 956 HG12 ILE 120 2HG1 ILE 120 -3.015 6.962 -1.204 957 HG13 ILE 120 1HG1 ILE 120 -1.691 8.115 -1.117 958 HG21 ILE 120 1HG2 ILE 120 -2.253 5.659 2.302 959 HG22 ILE 120 2HG2 ILE 120 -1.568 5.003 0.815 960 HG23 ILE 120 3HG2 ILE 120 -3.291 5.362 0.902 961 HD11 ILE 120 3HD1 ILE 120 -1.130 6.257 -2.544 962 HD12 ILE 120 1HD1 ILE 120 -1.480 5.122 -1.253 963 HD13 ILE 120 2HD1 ILE 120 -0.095 6.214 -1.106 964 H GLY 121 H GLY 121 -2.628 9.616 3.141 965 HA2 GLY 121 2HA GLY 121 -1.534 11.718 1.459 966 HA3 GLY 121 1HA GLY 121 -2.848 12.093 2.573 967 H CYS 122 H CYS 122 0.397 12.032 2.227 968 HA CYS 122 HA CYS 122 0.807 12.127 5.131 969 HB2 CYS 122 2HB CYS 122 3.084 11.170 4.689 970 HB3 CYS 122 1HB CYS 122 1.773 10.048 4.348 971 HG CYS 122 HG CYS 122 2.290 9.623 1.916 972 H GLY 123 H GLY 123 0.147 14.078 3.145 973 HA2 GLY 123 2HA GLY 123 1.237 16.336 3.638 974 HA3 GLY 123 1HA GLY 123 2.577 15.631 2.745 975 H LEU 124 H LEU 124 0.649 17.855 2.157 976 HA LEU 124 HA LEU 124 -0.054 17.016 -0.555 977 HB2 LEU 124 2HB LEU 124 -1.831 18.609 1.332 978 HB3 LEU 124 1HB LEU 124 -2.138 18.298 -0.363 979 HG LEU 124 HG LEU 124 -2.064 16.157 1.768 980 HD11 LEU 124 1HD1 LEU 124 -4.400 17.454 0.370 981 HD12 LEU 124 2HD1 LEU 124 -3.966 17.650 2.065 982 HD13 LEU 124 3HD1 LEU 124 -4.492 16.074 1.465 983 HD21 LEU 124 3HD2 LEU 124 -2.887 16.063 -1.141 984 HD22 LEU 124 1HD2 LEU 124 -3.039 14.738 0.014 985 HD23 LEU 124 2HD2 LEU 124 -1.444 15.323 -0.443 986 H ASP 125 H ASP 125 -1.257 19.670 -0.984 987 HA ASP 125 HA ASP 125 -0.788 21.607 -1.782 988 HB2 ASP 125 2HB ASP 125 0.433 23.323 -0.446 989 HB3 ASP 125 1HB ASP 125 -0.755 22.434 0.479 990 H ARG 126 H ARG 126 2.280 20.113 -1.138 991 HA ARG 126 HA ARG 126 3.432 21.456 -3.417 992 HB2 ARG 126 2HB ARG 126 4.430 19.350 -1.552 993 HB3 ARG 126 1HB ARG 126 5.192 19.466 -3.130 994 HG2 ARG 126 2HG ARG 126 6.419 20.719 -1.399 995 HG3 ARG 126 1HG ARG 126 5.840 21.757 -2.695 996 HD2 ARG 126 2HD ARG 126 3.941 22.407 -1.243 997 HD3 ARG 126 1HD ARG 126 4.639 21.435 0.050 998 HE ARG 126 HE ARG 126 6.677 23.028 -0.592 999 HH11 ARG 126 1HH1 ARG 126 3.329 23.726 0.284 1000 HH12 ARG 126 2HH1 ARG 126 3.620 25.332 0.766 1001 HH21 ARG 126 1HH2 ARG 126 7.101 25.197 0.102 1002 HH22 ARG 126 2HH2 ARG 126 5.841 26.201 0.681 1003 H LEU 127 H LEU 127 1.484 18.747 -2.925 1004 HA LEU 127 HA LEU 127 1.162 18.499 -5.678 1005 HB2 LEU 127 2HB LEU 127 1.580 16.017 -5.781 1006 HB3 LEU 127 1HB LEU 127 2.975 17.055 -5.753 1007 HG LEU 127 HG LEU 127 3.271 16.464 -3.335 1008 HD11 LEU 127 1HD1 LEU 127 0.991 15.845 -2.892 1009 HD12 LEU 127 2HD1 LEU 127 2.144 14.525 -2.501 1010 HD13 LEU 127 3HD1 LEU 127 1.175 14.459 -3.988 1011 HD21 LEU 127 3HD2 LEU 127 4.522 15.404 -5.094 1012 HD22 LEU 127 1HD2 LEU 127 3.237 14.215 -5.314 1013 HD23 LEU 127 2HD2 LEU 127 4.158 14.250 -3.805 1014 H GLN 128 H GLN 128 -0.666 17.419 -6.363 1015 HA GLN 128 HA GLN 128 -2.709 17.300 -4.303 1016 HB2 GLN 128 2HB GLN 128 -2.917 18.977 -6.077 1017 HB3 GLN 128 1HB GLN 128 -2.750 17.722 -7.291 1018 HG2 GLN 128 2HG GLN 128 -4.742 16.708 -6.522 1019 HG3 GLN 128 1HG GLN 128 -4.965 17.980 -5.312 1020 HE21 GLN 128 1HE2 GLN 128 -3.818 18.470 -8.652 1021 HE22 GLN 128 2HE2 GLN 128 -5.193 19.363 -9.156 1022 H TRP 129 H TRP 129 -4.186 15.464 -4.389 1023 HA TRP 129 HA TRP 129 -3.007 13.024 -5.057 1024 HB2 TRP 129 2HB TRP 129 -4.682 12.995 -3.332 1025 HB3 TRP 129 1HB TRP 129 -5.909 13.636 -4.417 1026 HD1 TRP 129 HD TRP 129 -7.265 11.934 -5.846 1027 HE1 TRP 129 1HE TRP 129 -7.223 9.380 -6.140 1028 HE3 TRP 129 3HE TRP 129 -3.007 10.850 -3.218 1029 HZ2 TRP 129 2HZ TRP 129 -5.667 7.213 -5.352 1030 HZ3 TRP 129 3HZ TRP 129 -2.326 8.490 -3.045 1031 HH2 TRP 129 HH TRP 129 -3.650 6.708 -4.098 1032 H GLU 130 H GLU 130 -5.202 15.003 -6.950 1033 HA GLU 130 HA GLU 130 -5.824 13.231 -9.027 1034 HB2 GLU 130 2HB GLU 130 -6.665 15.622 -8.647 1035 HB3 GLU 130 1HB GLU 130 -5.161 16.179 -9.347 1036 HG2 GLU 130 2HG GLU 130 -7.296 14.573 -10.771 1037 HG3 GLU 130 1HG GLU 130 -7.036 16.299 -10.915 1038 H ASN 131 H ASN 131 -3.094 15.443 -8.647 1039 HA ASN 131 HA ASN 131 -1.586 14.893 -10.917 1040 HB2 ASN 131 2HB ASN 131 -0.546 15.573 -8.149 1041 HB3 ASN 131 1HB ASN 131 0.316 15.781 -9.664 1042 HD21 ASN 131 1HD2 ASN 131 0.598 17.966 -9.174 1043 HD22 ASN 131 2HD2 ASN 131 -0.689 19.100 -9.367 1044 H VAL 132 H VAL 132 -1.625 13.418 -7.744 1045 HA VAL 132 HA VAL 132 0.443 11.552 -8.123 1046 HB VAL 132 HB VAL 132 -1.951 11.439 -6.264 1047 HG11 VAL 132 1HG1 VAL 132 -1.099 9.206 -6.562 1048 HG12 VAL 132 2HG1 VAL 132 -0.611 9.798 -4.970 1049 HG13 VAL 132 3HG1 VAL 132 0.551 9.773 -6.297 1050 HG21 VAL 132 3HG2 VAL 132 -0.341 12.165 -4.551 1051 HG22 VAL 132 1HG2 VAL 132 -0.491 13.345 -5.854 1052 HG23 VAL 132 2HG2 VAL 132 0.909 12.276 -5.787 1053 H SER 133 H SER 133 -3.098 11.123 -8.335 1054 HA SER 133 HA SER 133 -3.209 8.507 -9.038 1055 HB2 SER 133 2HB SER 133 -5.018 10.778 -9.863 1056 HB3 SER 133 1HB SER 133 -5.416 9.054 -9.947 1057 HG SER 133 HG SER 133 -4.935 10.650 -7.680 1058 H ALA 134 H ALA 134 -2.954 11.350 -11.171 1059 HA ALA 134 HA ALA 134 -3.061 9.977 -13.610 1060 HB1 ALA 134 1HB ALA 134 -3.401 12.401 -13.382 1061 HB2 ALA 134 2HB ALA 134 -2.178 12.018 -14.589 1062 HB3 ALA 134 3HB ALA 134 -1.689 12.598 -12.995 1063 H MET 135 H MET 135 -0.339 10.935 -11.605 1064 HA MET 135 HA MET 135 1.717 9.981 -13.271 1065 HB2 MET 135 2HB MET 135 2.076 11.652 -11.516 1066 HB3 MET 135 1HB MET 135 1.693 10.454 -10.294 1067 HG2 MET 135 2HG MET 135 3.666 9.217 -10.797 1068 HG3 MET 135 1HG MET 135 4.020 10.244 -12.190 1069 HE1 MET 135 3HE MET 135 4.259 11.661 -7.812 1070 HE2 MET 135 1HE MET 135 3.837 10.016 -8.276 1071 HE3 MET 135 2HE MET 135 2.714 11.342 -8.604 1072 H ILE 136 H ILE 136 -0.120 8.478 -10.662 1073 HA ILE 136 HA ILE 136 1.288 6.053 -10.537 1074 HB ILE 136 HB ILE 136 -1.649 6.645 -10.042 1075 HG12 ILE 136 2HG1 ILE 136 0.669 6.255 -8.141 1076 HG13 ILE 136 1HG1 ILE 136 -0.092 7.785 -8.539 1077 HG21 ILE 136 1HG2 ILE 136 -1.783 4.510 -8.850 1078 HG22 ILE 136 2HG2 ILE 136 -0.140 4.121 -9.358 1079 HG23 ILE 136 3HG2 ILE 136 -1.422 4.280 -10.561 1080 HD11 ILE 136 3HD1 ILE 136 -1.427 5.479 -7.127 1081 HD12 ILE 136 1HD1 ILE 136 -2.174 7.027 -7.524 1082 HD13 ILE 136 2HD1 ILE 136 -0.840 6.964 -6.373 1083 H GLU 137 H GLU 137 -1.363 7.130 -12.598 1084 HA GLU 137 HA GLU 137 -1.693 4.734 -14.029 1085 HB2 GLU 137 2HB GLU 137 -2.173 7.564 -14.930 1086 HB3 GLU 137 1HB GLU 137 -2.679 6.130 -15.800 1087 HG2 GLU 137 2HG GLU 137 -4.110 5.517 -13.900 1088 HG3 GLU 137 1HG GLU 137 -3.626 7.013 -13.093 1089 H GLU 138 H GLU 138 0.576 7.369 -14.341 1090 HA GLU 138 HA GLU 138 1.530 6.739 -16.933 1091 HB2 GLU 138 2HB GLU 138 3.030 8.094 -14.683 1092 HB3 GLU 138 1HB GLU 138 3.494 8.107 -16.373 1093 HG2 GLU 138 2HG GLU 138 1.360 9.341 -16.860 1094 HG3 GLU 138 1HG GLU 138 1.098 9.421 -15.113 1095 H VAL 139 H VAL 139 2.683 5.883 -13.708 1096 HA VAL 139 HA VAL 139 4.860 4.316 -14.616 1097 HB VAL 139 HB VAL 139 3.407 4.156 -11.961 1098 HG11 VAL 139 1HG1 VAL 139 4.710 2.147 -12.427 1099 HG12 VAL 139 2HG1 VAL 139 5.464 3.072 -11.129 1100 HG13 VAL 139 3HG1 VAL 139 6.126 3.113 -12.765 1101 HG21 VAL 139 3HG2 VAL 139 5.241 5.567 -11.118 1102 HG22 VAL 139 1HG2 VAL 139 4.329 6.384 -12.385 1103 HG23 VAL 139 2HG2 VAL 139 5.901 5.674 -12.746 1104 H PHE 140 H PHE 140 1.618 3.414 -13.511 1105 HA PHE 140 HA PHE 140 2.066 0.682 -14.068 1106 HB2 PHE 140 2HB PHE 140 -0.403 2.159 -13.286 1107 HB3 PHE 140 1HB PHE 140 -0.494 0.493 -13.833 1108 HD1 PHE 140 2HD PHE 140 0.765 -1.305 -12.540 1109 HD2 PHE 140 1HD PHE 140 0.300 2.689 -11.087 1110 HE1 PHE 140 2HE PHE 140 1.234 -2.062 -10.287 1111 HE2 PHE 140 1HE PHE 140 0.795 1.876 -8.811 1112 HZ PHE 140 HZ PHE 140 1.248 -0.560 -8.461 1113 H GLU 141 H GLU 141 1.396 3.185 -16.199 1114 HA GLU 141 HA GLU 141 -0.340 2.118 -18.003 1115 HB2 GLU 141 2HB GLU 141 0.481 4.402 -17.991 1116 HB3 GLU 141 1HB GLU 141 2.074 3.841 -18.451 1117 HG2 GLU 141 2HG GLU 141 1.290 3.157 -20.563 1118 HG3 GLU 141 1HG GLU 141 -0.383 3.502 -20.088 1119 H ALA 142 H ALA 142 3.002 1.334 -17.557 1120 HA ALA 142 HA ALA 142 3.230 -0.175 -20.013 1121 HB1 ALA 142 1HB ALA 142 5.457 -0.780 -19.214 1122 HB2 ALA 142 2HB ALA 142 5.080 -0.106 -17.629 1123 HB3 ALA 142 3HB ALA 142 5.183 0.954 -19.032 1124 H THR 143 H THR 143 1.769 -0.766 -17.131 1125 HA THR 143 HA THR 143 1.946 -3.691 -17.410 1126 HB THR 143 HB THR 143 1.773 -3.809 -14.907 1127 HG1 THR 143 1HG THR 143 1.294 -1.194 -15.210 1128 HG21 THR 143 3HG2 THR 143 4.118 -2.164 -15.870 1129 HG22 THR 143 1HG2 THR 143 4.013 -3.931 -15.898 1130 HG23 THR 143 2HG2 THR 143 4.034 -3.061 -14.357 1131 H ASP 144 H ASP 144 -0.007 -4.358 -15.615 1132 HA ASP 144 HA ASP 144 -2.134 -2.426 -15.606 1133 HB2 ASP 144 2HB ASP 144 -2.492 -3.660 -17.793 1134 HB3 ASP 144 1HB ASP 144 -2.749 -5.126 -16.848 1135 H ILE 145 H ILE 145 -2.179 -2.391 -13.473 1136 HA ILE 145 HA ILE 145 -2.970 -4.843 -12.118 1137 HB ILE 145 HB ILE 145 -0.939 -2.762 -11.068 1138 HG12 ILE 145 2HG1 ILE 145 -0.591 -5.714 -11.609 1139 HG13 ILE 145 1HG1 ILE 145 -0.201 -4.479 -12.790 1140 HG21 ILE 145 1HG2 ILE 145 -2.094 -5.096 -9.632 1141 HG22 ILE 145 2HG2 ILE 145 -2.364 -3.394 -9.284 1142 HG23 ILE 145 3HG2 ILE 145 -0.753 -4.084 -9.104 1143 HD11 ILE 145 3HD1 ILE 145 1.012 -4.644 -10.055 1144 HD12 ILE 145 1HD1 ILE 145 1.455 -3.583 -11.408 1145 HD13 ILE 145 2HD1 ILE 145 1.710 -5.310 -11.547 1146 H LYS 146 H LYS 146 -4.595 -4.553 -10.591 1147 HA LYS 146 HA LYS 146 -6.168 -2.157 -11.036 1148 HB2 LYS 146 2HB LYS 146 -6.882 -4.546 -9.343 1149 HB3 LYS 146 1HB LYS 146 -7.970 -3.391 -10.089 1150 HG2 LYS 146 2HG LYS 146 -6.370 -5.545 -11.472 1151 HG3 LYS 146 1HG LYS 146 -8.113 -5.490 -11.253 1152 HD2 LYS 146 2HD LYS 146 -8.206 -3.501 -12.700 1153 HD3 LYS 146 1HD LYS 146 -6.456 -3.603 -12.928 1154 HE2 LYS 146 2HE LYS 146 -6.742 -5.875 -13.867 1155 HE3 LYS 146 1HE LYS 146 -8.486 -5.693 -13.708 1156 HZ1 LYS 146 3HZ LYS 146 -6.640 -4.196 -15.447 1157 HZ2 LYS 146 1HZ LYS 146 -8.245 -3.692 -15.198 1158 HZ3 LYS 146 2HZ LYS 146 -7.876 -5.168 -15.952 1159 H ILE 147 H ILE 147 -6.378 -0.595 -9.492 1160 HA ILE 147 HA ILE 147 -5.246 -1.165 -6.849 1161 HB ILE 147 HB ILE 147 -5.255 1.466 -8.357 1162 HG12 ILE 147 2HG1 ILE 147 -2.907 -0.330 -7.722 1163 HG13 ILE 147 1HG1 ILE 147 -3.724 -0.301 -9.278 1164 HG21 ILE 147 1HG2 ILE 147 -5.371 1.750 -5.925 1165 HG22 ILE 147 2HG2 ILE 147 -3.794 2.252 -6.534 1166 HG23 ILE 147 3HG2 ILE 147 -3.971 0.697 -5.726 1167 HD11 ILE 147 3HD1 ILE 147 -1.691 0.991 -9.305 1168 HD12 ILE 147 1HD1 ILE 147 -2.300 2.010 -7.990 1169 HD13 ILE 147 2HD1 ILE 147 -3.099 2.016 -9.571 1170 H THR 148 H THR 148 -6.759 -1.133 -5.388 1171 HA THR 148 HA THR 148 -9.189 0.375 -5.920 1172 HB THR 148 HB THR 148 -8.758 -1.800 -3.843 1173 HG1 THR 148 1HG THR 148 -9.013 -3.180 -5.452 1174 HG21 THR 148 3HG2 THR 148 -11.220 -0.588 -5.089 1175 HG22 THR 148 1HG2 THR 148 -10.655 -0.289 -3.447 1176 HG23 THR 148 2HG2 THR 148 -11.225 -1.900 -3.908 1177 H VAL 149 H VAL 149 -9.391 2.237 -4.886 1178 HA VAL 149 HA VAL 149 -7.744 2.777 -2.532 1179 HB VAL 149 HB VAL 149 -9.135 4.706 -4.416 1180 HG11 VAL 149 1HG1 VAL 149 -9.009 5.633 -2.158 1181 HG12 VAL 149 2HG1 VAL 149 -7.899 6.455 -3.259 1182 HG13 VAL 149 3HG1 VAL 149 -7.280 5.271 -2.103 1183 HG21 VAL 149 3HG2 VAL 149 -7.236 3.578 -5.408 1184 HG22 VAL 149 1HG2 VAL 149 -6.216 4.066 -4.052 1185 HG23 VAL 149 2HG2 VAL 149 -6.897 5.290 -5.132 1186 H TYR 150 H TYR 150 -8.659 2.726 -0.682 1187 HA TYR 150 HA TYR 150 -11.567 2.834 -0.471 1188 HB2 TYR 150 2HB TYR 150 -9.491 1.979 1.541 1189 HB3 TYR 150 1HB TYR 150 -11.212 2.056 1.884 1190 HD1 TYR 150 1HD TYR 150 -8.612 0.291 -0.047 1191 HD2 TYR 150 2HD TYR 150 -12.721 0.381 1.047 1192 HE1 TYR 150 1HE TYR 150 -8.898 -1.993 -0.918 1193 HE2 TYR 150 2HE TYR 150 -13.007 -1.888 0.183 1194 HH TYR 150 HH TYR 150 -10.358 -3.882 -0.679 1195 H THR 151 H THR 151 -12.569 4.531 0.102 1196 HA THR 151 HA THR 151 -11.129 6.645 1.523 1197 HB THR 151 HB THR 151 -12.900 8.158 0.583 1198 HG1 THR 151 1HG THR 151 -14.310 6.268 0.182 1199 HG21 THR 151 3HG2 THR 151 -10.688 7.941 -0.475 1200 HG22 THR 151 1HG2 THR 151 -11.949 8.209 -1.683 1201 HG23 THR 151 2HG2 THR 151 -11.288 6.591 -1.441 1202 H LEU 152 H LEU 152 -11.695 6.938 3.568 1203 HA LEU 152 HA LEU 152 -14.440 6.732 4.387 1204 HB2 LEU 152 2HB LEU 152 -13.383 4.413 4.621 1205 HB3 LEU 152 1HB LEU 152 -12.282 5.112 5.775 1206 HG LEU 152 HG LEU 152 -14.049 3.800 6.861 1207 HD11 LEU 152 1HD1 LEU 152 -13.146 5.621 8.148 1208 HD12 LEU 152 2HD1 LEU 152 -14.860 5.400 8.499 1209 HD13 LEU 152 3HD1 LEU 152 -14.334 6.725 7.460 1210 HD21 LEU 152 3HD2 LEU 152 -16.384 4.535 6.832 1211 HD22 LEU 152 1HD2 LEU 152 -15.816 4.070 5.231 1212 HD23 LEU 152 2HD2 LEU 152 -15.976 5.776 5.649 Start of MODEL 10 1 H GLU 1 H GLU 1 -23.033 5.456 9.646 2 HA GLU 1 HA GLU 1 -25.281 5.252 7.931 3 HB2 GLU 1 2HB GLU 1 -22.378 5.730 7.301 4 HB3 GLU 1 1HB GLU 1 -23.682 5.847 6.134 5 HG2 GLU 1 2HG GLU 1 -24.681 7.646 7.501 6 HG3 GLU 1 1HG GLU 1 -23.281 7.553 8.574 7 H ALA 2 H ALA 2 -26.017 3.479 7.153 8 HA ALA 2 HA ALA 2 -24.405 1.098 7.010 9 HB1 ALA 2 1HB ALA 2 -26.751 0.961 7.720 10 HB2 ALA 2 2HB ALA 2 -26.477 0.032 6.244 11 HB3 ALA 2 3HB ALA 2 -27.257 1.609 6.160 12 H SER 3 H SER 3 -23.625 0.186 5.146 13 HA SER 3 HA SER 3 -23.342 1.927 2.912 14 HB2 SER 3 2HB SER 3 -22.411 -0.913 3.331 15 HB3 SER 3 1HB SER 3 -21.852 0.191 2.073 16 HG SER 3 HG SER 3 -20.674 -0.075 4.205 17 H SER 4 H SER 4 -26.005 0.519 3.665 18 HA SER 4 HA SER 4 -26.842 -1.101 1.547 19 HB2 SER 4 2HB SER 4 -28.437 0.959 3.088 20 HB3 SER 4 1HB SER 4 -29.075 -0.447 2.238 21 HG SER 4 HG SER 4 -27.976 -1.758 3.669 22 H LEU 5 H LEU 5 -26.629 2.311 2.045 23 HA LEU 5 HA LEU 5 -27.105 2.735 -0.774 24 HB2 LEU 5 2HB LEU 5 -28.053 4.977 -0.314 25 HB3 LEU 5 1HB LEU 5 -29.030 3.693 0.336 26 HG LEU 5 HG LEU 5 -27.207 5.492 1.969 27 HD11 LEU 5 1HD1 LEU 5 -30.196 5.515 1.615 28 HD12 LEU 5 2HD1 LEU 5 -29.064 6.716 0.994 29 HD13 LEU 5 3HD1 LEU 5 -29.287 6.528 2.735 30 HD21 LEU 5 3HD2 LEU 5 -29.306 3.489 2.838 31 HD22 LEU 5 1HD2 LEU 5 -28.437 4.593 3.907 32 HD23 LEU 5 2HD2 LEU 5 -27.565 3.326 3.051 33 H ASN 6 H ASN 6 -25.024 2.544 -1.238 34 HA ASN 6 HA ASN 6 -23.370 4.851 -0.914 35 HB2 ASN 6 2HB ASN 6 -22.862 3.694 1.218 36 HB3 ASN 6 1HB ASN 6 -22.487 2.222 0.336 37 HD21 ASN 6 1HD2 ASN 6 -20.526 2.133 -0.863 38 HD22 ASN 6 2HD2 ASN 6 -19.246 3.220 -0.636 39 H GLU 7 H GLU 7 -23.141 4.930 -3.113 40 HA GLU 7 HA GLU 7 -22.079 2.509 -4.284 41 HB2 GLU 7 2HB GLU 7 -23.509 4.770 -5.660 42 HB3 GLU 7 1HB GLU 7 -22.673 3.476 -6.523 43 HG2 GLU 7 2HG GLU 7 -24.052 1.856 -5.300 44 HG3 GLU 7 1HG GLU 7 -25.003 3.188 -4.646 45 H ASP 8 H ASP 8 -20.305 2.432 -5.359 46 HA ASP 8 HA ASP 8 -18.496 4.630 -4.672 47 HB2 ASP 8 2HB ASP 8 -17.878 1.693 -4.977 48 HB3 ASP 8 1HB ASP 8 -16.756 2.943 -4.455 49 HA PRO 9 HA PRO 9 -17.648 5.238 -8.999 50 HB2 PRO 9 2HB PRO 9 -14.887 5.869 -8.131 51 HB3 PRO 9 1HB PRO 9 -16.021 6.845 -9.070 52 HG2 PRO 9 2HG PRO 9 -15.546 7.453 -6.546 53 HG3 PRO 9 1HG PRO 9 -17.197 7.525 -7.202 54 HD2 PRO 9 2HD PRO 9 -15.948 5.401 -5.480 55 HD3 PRO 9 1HD PRO 9 -17.556 6.159 -5.379 56 H GLU 10 H GLU 10 -16.737 4.259 -10.686 57 HA GLU 10 HA GLU 10 -15.599 1.631 -10.271 58 HB2 GLU 10 2HB GLU 10 -16.343 3.103 -12.787 59 HB3 GLU 10 1HB GLU 10 -15.885 1.410 -12.695 60 HG2 GLU 10 2HG GLU 10 -17.835 0.888 -11.415 61 HG3 GLU 10 1HG GLU 10 -18.265 2.595 -11.290 62 H GLY 11 H GLY 11 -14.758 4.448 -12.088 63 HA2 GLY 11 2HA GLY 11 -12.698 5.404 -12.640 64 HA3 GLY 11 1HA GLY 11 -11.939 4.274 -11.527 65 H SER 12 H SER 12 -10.462 4.631 -13.659 66 HA SER 12 HA SER 12 -11.185 2.677 -15.670 67 HB2 SER 12 2HB SER 12 -10.086 4.806 -16.381 68 HB3 SER 12 1HB SER 12 -8.664 4.364 -15.444 69 HG SER 12 HG SER 12 -8.226 3.727 -17.445 70 H ARG 13 H ARG 13 -8.152 3.150 -13.981 71 HA ARG 13 HA ARG 13 -8.188 0.276 -13.422 72 HB2 ARG 13 2HB ARG 13 -5.904 2.144 -13.457 73 HB3 ARG 13 1HB ARG 13 -5.823 0.540 -12.736 74 HG2 ARG 13 2HG ARG 13 -6.718 -0.286 -14.972 75 HG3 ARG 13 1HG ARG 13 -6.222 1.304 -15.578 76 HD2 ARG 13 2HD ARG 13 -4.117 0.936 -14.433 77 HD3 ARG 13 1HD ARG 13 -4.614 -0.691 -14.134 78 HE ARG 13 HE ARG 13 -4.982 -0.374 -16.848 79 HH11 ARG 13 1HH1 ARG 13 -2.246 -0.442 -14.632 80 HH12 ARG 13 2HH1 ARG 13 -1.136 -1.063 -15.794 81 HH21 ARG 13 1HH2 ARG 13 -3.417 -1.301 -18.443 82 HH22 ARG 13 2HH2 ARG 13 -1.829 -1.590 -17.915 83 H ILE 14 H ILE 14 -8.450 3.320 -11.961 84 HA ILE 14 HA ILE 14 -7.886 2.158 -9.364 85 HB ILE 14 HB ILE 14 -8.500 5.021 -10.080 86 HG12 ILE 14 2HG1 ILE 14 -5.822 3.713 -9.501 87 HG13 ILE 14 1HG1 ILE 14 -6.359 4.292 -11.072 88 HG21 ILE 14 1HG2 ILE 14 -9.063 4.458 -7.782 89 HG22 ILE 14 2HG2 ILE 14 -7.643 5.506 -7.811 90 HG23 ILE 14 3HG2 ILE 14 -7.455 3.774 -7.547 91 HD11 ILE 14 3HD1 ILE 14 -5.837 5.990 -8.632 92 HD12 ILE 14 1HD1 ILE 14 -6.372 6.587 -10.195 93 HD13 ILE 14 2HD1 ILE 14 -4.790 5.838 -10.038 94 H THR 15 H THR 15 -9.383 1.441 -8.279 95 HA THR 15 HA THR 15 -12.200 2.030 -8.824 96 HB THR 15 HB THR 15 -10.921 -0.140 -7.147 97 HG1 THR 15 1HG THR 15 -11.309 0.154 -9.847 98 HG21 THR 15 3HG2 THR 15 -13.271 0.302 -6.608 99 HG22 THR 15 1HG2 THR 15 -13.095 -1.261 -7.404 100 HG23 THR 15 2HG2 THR 15 -13.702 0.126 -8.311 101 H TYR 16 H TYR 16 -13.207 3.303 -7.322 102 HA TYR 16 HA TYR 16 -11.742 3.780 -4.837 103 HB2 TYR 16 2HB TYR 16 -13.902 5.434 -6.146 104 HB3 TYR 16 1HB TYR 16 -13.112 5.814 -4.621 105 HD1 TYR 16 2HD TYR 16 -10.708 6.446 -4.599 106 HD2 TYR 16 1HD TYR 16 -12.845 5.886 -8.240 107 HE1 TYR 16 2HE TYR 16 -8.961 7.650 -5.812 108 HE2 TYR 16 1HE TYR 16 -11.092 7.083 -9.451 109 HH TYR 16 HH TYR 16 -9.364 8.734 -8.981 110 H VAL 17 H VAL 17 -12.560 3.190 -2.969 111 HA VAL 17 HA VAL 17 -15.383 2.381 -2.872 112 HB VAL 17 HB VAL 17 -13.116 0.980 -1.434 113 HG11 VAL 17 1HG1 VAL 17 -14.809 -0.706 -0.838 114 HG12 VAL 17 2HG1 VAL 17 -16.044 0.284 -1.618 115 HG13 VAL 17 3HG1 VAL 17 -15.195 0.893 -0.198 116 HG21 VAL 17 3HG2 VAL 17 -13.529 -0.943 -2.906 117 HG22 VAL 17 1HG2 VAL 17 -12.998 0.473 -3.814 118 HG23 VAL 17 2HG2 VAL 17 -14.701 0.009 -3.816 119 H LYS 18 H LYS 18 -16.445 3.306 -1.270 120 HA LYS 18 HA LYS 18 -14.947 4.803 0.722 121 HB2 LYS 18 2HB LYS 18 -17.893 4.733 0.031 122 HB3 LYS 18 1HB LYS 18 -17.178 5.776 1.255 123 HG2 LYS 18 2HG LYS 18 -15.862 6.921 -0.437 124 HG3 LYS 18 1HG LYS 18 -16.475 5.836 -1.676 125 HD2 LYS 18 2HD LYS 18 -18.183 7.718 -0.039 126 HD3 LYS 18 1HD LYS 18 -17.587 8.063 -1.664 127 HE2 LYS 18 2HE LYS 18 -18.807 6.097 -2.502 128 HE3 LYS 18 1HE LYS 18 -19.420 5.791 -0.877 129 HZ1 LYS 18 3HZ LYS 18 -20.531 7.926 -0.933 130 HZ2 LYS 18 1HZ LYS 18 -21.021 6.955 -2.223 131 HZ3 LYS 18 2HZ LYS 18 -19.945 8.220 -2.495 132 H GLY 19 H GLY 19 -14.465 3.739 2.496 133 HA2 GLY 19 2HA GLY 19 -16.186 2.444 4.183 134 HA3 GLY 19 1HA GLY 19 -15.599 1.202 3.082 135 H ASP 20 H ASP 20 -14.302 0.060 4.500 136 HA ASP 20 HA ASP 20 -12.319 1.626 5.993 137 HB2 ASP 20 2HB ASP 20 -13.793 0.059 7.281 138 HB3 ASP 20 1HB ASP 20 -13.116 -1.255 6.352 139 H LEU 21 H LEU 21 -10.217 1.409 5.638 140 HA LEU 21 HA LEU 21 -9.317 0.258 3.219 141 HB2 LEU 21 2HB LEU 21 -8.370 2.309 4.193 142 HB3 LEU 21 1HB LEU 21 -7.785 1.411 5.561 143 HG LEU 21 HG LEU 21 -6.016 2.136 3.994 144 HD11 LEU 21 1HD1 LEU 21 -4.713 0.146 3.935 145 HD12 LEU 21 2HD1 LEU 21 -6.165 -0.862 4.115 146 HD13 LEU 21 3HD1 LEU 21 -5.655 0.194 5.420 147 HD21 LEU 21 3HD2 LEU 21 -7.277 0.221 2.044 148 HD22 LEU 21 1HD2 LEU 21 -5.710 1.011 1.858 149 HD23 LEU 21 2HD2 LEU 21 -7.185 1.978 1.900 150 H PHE 22 H PHE 22 -9.404 -0.963 6.535 151 HA PHE 22 HA PHE 22 -7.578 -3.096 5.885 152 HB2 PHE 22 2HB PHE 22 -9.091 -2.487 8.439 153 HB3 PHE 22 1HB PHE 22 -8.008 -3.855 8.245 154 HD1 PHE 22 1HD PHE 22 -5.605 -3.142 7.325 155 HD2 PHE 22 2HD PHE 22 -8.241 -0.578 9.493 156 HE1 PHE 22 1HE PHE 22 -3.706 -1.733 8.006 157 HE2 PHE 22 2HE PHE 22 -6.345 0.804 10.156 158 HZ PHE 22 HZ PHE 22 -4.075 0.230 9.414 159 H ALA 23 H ALA 23 -10.785 -2.535 5.312 160 HA ALA 23 HA ALA 23 -11.662 -5.276 5.671 161 HB1 ALA 23 1HB ALA 23 -13.228 -3.432 6.046 162 HB2 ALA 23 2HB ALA 23 -13.785 -4.469 4.734 163 HB3 ALA 23 3HB ALA 23 -13.032 -2.917 4.372 164 H CYS 24 H CYS 24 -9.479 -4.338 3.749 165 HA CYS 24 HA CYS 24 -10.490 -4.966 1.150 166 HB2 CYS 24 2HB CYS 24 -8.067 -4.756 0.492 167 HB3 CYS 24 1HB CYS 24 -8.750 -3.336 1.276 168 HG CYS 24 HG CYS 24 -7.171 -3.213 3.237 169 HA PRO 25 HA PRO 25 -9.838 -9.372 1.257 170 HB2 PRO 25 2HB PRO 25 -9.017 -9.265 -1.572 171 HB3 PRO 25 1HB PRO 25 -10.422 -10.047 -0.845 172 HG2 PRO 25 2HG PRO 25 -10.677 -7.848 -2.354 173 HG3 PRO 25 1HG PRO 25 -11.711 -8.145 -0.944 174 HD2 PRO 25 2HD PRO 25 -9.317 -6.364 -1.197 175 HD3 PRO 25 1HD PRO 25 -10.880 -6.060 -0.405 176 H LYS 26 H LYS 26 -8.174 -10.908 1.285 177 HA LYS 26 HA LYS 26 -5.588 -9.787 1.649 178 HB2 LYS 26 2HB LYS 26 -4.834 -11.963 2.294 179 HB3 LYS 26 1HB LYS 26 -6.268 -11.451 3.157 180 HG2 LYS 26 2HG LYS 26 -7.610 -12.919 1.778 181 HG3 LYS 26 1HG LYS 26 -6.150 -13.435 0.908 182 HD2 LYS 26 2HD LYS 26 -5.159 -14.033 2.986 183 HD3 LYS 26 1HD LYS 26 -6.642 -13.581 3.820 184 HE2 LYS 26 2HE LYS 26 -7.896 -15.307 2.558 185 HE3 LYS 26 1HE LYS 26 -6.414 -15.760 1.722 186 HZ1 LYS 26 3HZ LYS 26 -5.486 -16.439 3.862 187 HZ2 LYS 26 1HZ LYS 26 -6.896 -17.292 3.491 188 HZ3 LYS 26 2HZ LYS 26 -6.917 -16.050 4.635 189 H THR 27 H THR 27 -7.116 -10.991 -1.071 190 HA THR 27 HA THR 27 -4.857 -12.027 -2.483 191 HB THR 27 HB THR 27 -6.437 -11.614 -4.411 192 HG1 THR 27 1HG THR 27 -7.701 -9.919 -3.368 193 HG21 THR 27 3HG2 THR 27 -7.956 -13.445 -3.737 194 HG22 THR 27 1HG2 THR 27 -7.434 -13.237 -2.066 195 HG23 THR 27 2HG2 THR 27 -6.286 -13.793 -3.282 196 H ASP 28 H ASP 28 -6.013 -9.004 -1.647 197 HA ASP 28 HA ASP 28 -4.741 -7.592 -3.857 198 HB2 ASP 28 2HB ASP 28 -6.640 -6.642 -1.693 199 HB3 ASP 28 1HB ASP 28 -5.965 -5.628 -2.960 200 H SER 29 H SER 29 -2.799 -6.795 -3.498 201 HA SER 29 HA SER 29 -1.760 -6.833 -0.817 202 HB2 SER 29 2HB SER 29 -0.460 -6.024 -3.434 203 HB3 SER 29 1HB SER 29 0.362 -6.131 -1.870 204 HG SER 29 HG SER 29 -1.059 -8.269 -3.042 205 H LEU 30 H LEU 30 -0.637 -4.812 0.049 206 HA LEU 30 HA LEU 30 -2.537 -2.632 -0.513 207 HB2 LEU 30 2HB LEU 30 -2.818 -4.178 1.586 208 HB3 LEU 30 1HB LEU 30 -1.450 -3.295 2.190 209 HG LEU 30 HG LEU 30 -4.090 -2.064 1.440 210 HD11 LEU 30 1HD1 LEU 30 -4.363 -3.578 3.246 211 HD12 LEU 30 2HD1 LEU 30 -4.424 -1.929 3.868 212 HD13 LEU 30 3HD1 LEU 30 -2.963 -2.894 4.086 213 HD21 LEU 30 3HD2 LEU 30 -1.706 -0.944 2.927 214 HD22 LEU 30 1HD2 LEU 30 -3.250 -0.102 2.718 215 HD23 LEU 30 2HD2 LEU 30 -2.269 -0.490 1.313 216 H ALA 31 H ALA 31 -1.645 -0.600 -0.475 217 HA ALA 31 HA ALA 31 1.223 -0.385 0.127 218 HB1 ALA 31 1HB ALA 31 -0.043 0.649 -2.401 219 HB2 ALA 31 2HB ALA 31 0.956 -0.796 -2.281 220 HB3 ALA 31 3HB ALA 31 1.659 0.790 -1.949 221 H HIS 32 H HIS 32 1.943 1.606 0.792 222 HA HIS 32 HA HIS 32 0.571 4.018 0.479 223 HB2 HIS 32 2HB HIS 32 0.048 4.554 2.876 224 HB3 HIS 32 1HB HIS 32 -0.966 3.276 2.232 225 HD1 HIS 32 1HD HIS 32 1.764 3.930 4.695 226 HD2 HIS 32 2HD HIS 32 -0.741 0.834 3.523 227 HE1 HIS 32 1HE HIS 32 2.151 2.103 6.358 228 HE2 HIS 32 2HE HIS 32 0.732 0.189 5.563 229 H CYS 33 H CYS 33 1.713 5.809 1.942 230 HA CYS 33 HA CYS 33 4.544 5.178 1.607 231 HB2 CYS 33 2HB CYS 33 4.790 7.652 1.515 232 HB3 CYS 33 1HB CYS 33 3.804 6.973 0.222 233 HG CYS 33 HG CYS 33 2.966 9.032 2.740 234 H ILE 34 H ILE 34 6.095 5.583 3.116 235 HA ILE 34 HA ILE 34 5.267 6.599 5.704 236 HB ILE 34 HB ILE 34 6.430 4.853 6.945 237 HG12 ILE 34 2HG1 ILE 34 6.772 3.363 4.349 238 HG13 ILE 34 1HG1 ILE 34 8.031 4.297 5.161 239 HG21 ILE 34 1HG2 ILE 34 4.056 4.559 6.561 240 HG22 ILE 34 2HG2 ILE 34 4.892 3.024 6.690 241 HG23 ILE 34 3HG2 ILE 34 4.395 3.630 5.100 242 HD11 ILE 34 3HD1 ILE 34 6.595 1.950 6.369 243 HD12 ILE 34 1HD1 ILE 34 7.907 2.865 7.098 244 HD13 ILE 34 2HD1 ILE 34 8.213 1.891 5.656 245 H SER 35 H SER 35 7.264 6.812 7.108 246 HA SER 35 HA SER 35 9.267 8.097 5.517 247 HB2 SER 35 2HB SER 35 10.011 8.900 7.790 248 HB3 SER 35 1HB SER 35 8.413 9.411 7.285 249 HG SER 35 HG SER 35 7.782 8.633 9.043 250 H GLU 36 H GLU 36 11.523 7.668 5.783 251 HA GLU 36 HA GLU 36 12.006 4.904 5.908 252 HB2 GLU 36 2HB GLU 36 14.445 5.472 5.492 253 HB3 GLU 36 1HB GLU 36 13.288 5.933 4.241 254 HG2 GLU 36 2HG GLU 36 14.898 7.556 4.374 255 HG3 GLU 36 1HG GLU 36 13.508 8.237 5.193 256 H ASP 37 H ASP 37 12.336 7.251 8.263 257 HA ASP 37 HA ASP 37 13.961 5.491 9.922 258 HB2 ASP 37 2HB ASP 37 14.078 8.061 9.905 259 HB3 ASP 37 1HB ASP 37 12.557 8.031 10.781 260 H CYS 38 H CYS 38 10.901 5.393 8.932 261 HA CYS 38 HA CYS 38 9.019 4.348 9.500 262 HB2 CYS 38 2HB CYS 38 10.852 2.947 11.444 263 HB3 CYS 38 1HB CYS 38 9.186 2.459 11.140 264 HG CYS 38 HG CYS 38 10.846 0.726 9.841 265 H ARG 39 H ARG 39 9.674 6.792 10.770 266 HA ARG 39 HA ARG 39 8.766 6.886 13.439 267 HB2 ARG 39 2HB ARG 39 8.923 8.961 11.270 268 HB3 ARG 39 1HB ARG 39 8.425 9.328 12.917 269 HG2 ARG 39 2HG ARG 39 11.041 8.034 12.224 270 HG3 ARG 39 1HG ARG 39 10.847 9.779 12.423 271 HD2 ARG 39 2HD ARG 39 10.071 9.486 14.632 272 HD3 ARG 39 1HD ARG 39 10.130 7.728 14.524 273 HE ARG 39 HE ARG 39 12.647 8.465 13.960 274 HH11 ARG 39 1HH1 ARG 39 10.463 9.248 16.635 275 HH12 ARG 39 2HH1 ARG 39 11.686 9.427 17.797 276 HH21 ARG 39 1HH2 ARG 39 14.349 8.718 15.576 277 HH22 ARG 39 2HH2 ARG 39 13.954 9.121 17.175 278 H MET 40 H MET 40 7.181 7.067 10.372 279 HA MET 40 HA MET 40 5.041 6.977 9.662 280 HB2 MET 40 2HB MET 40 4.244 6.043 12.480 281 HB3 MET 40 1HB MET 40 3.358 5.798 10.974 282 HG2 MET 40 2HG MET 40 5.943 4.614 11.751 283 HG3 MET 40 1HG MET 40 4.358 3.843 11.731 284 HE1 MET 40 3HE MET 40 6.053 2.034 8.919 285 HE2 MET 40 1HE MET 40 5.030 2.056 10.399 286 HE3 MET 40 2HE MET 40 6.695 2.621 10.487 287 H GLY 41 H GLY 41 4.337 7.860 12.978 288 HA2 GLY 41 2HA GLY 41 3.559 9.686 14.051 289 HA3 GLY 41 1HA GLY 41 4.389 10.626 12.842 290 H ALA 42 H ALA 42 2.467 9.492 10.733 291 HA ALA 42 HA ALA 42 -0.080 10.525 11.654 292 HB1 ALA 42 1HB ALA 42 1.317 11.788 9.300 293 HB2 ALA 42 2HB ALA 42 1.140 12.534 10.885 294 HB3 ALA 42 3HB ALA 42 -0.289 12.192 9.909 295 H GLY 43 H GLY 43 -1.718 10.441 9.946 296 HA2 GLY 43 2HA GLY 43 -2.863 9.414 8.348 297 HA3 GLY 43 1HA GLY 43 -1.346 8.975 7.594 298 H ILE 44 H ILE 44 -2.297 7.120 7.004 299 HA ILE 44 HA ILE 44 -3.442 5.262 8.811 300 HB ILE 44 HB ILE 44 -4.128 5.506 6.476 301 HG12 ILE 44 2HG1 ILE 44 -2.992 2.757 6.865 302 HG13 ILE 44 1HG1 ILE 44 -4.443 3.312 7.727 303 HG21 ILE 44 1HG2 ILE 44 -1.425 4.355 5.834 304 HG22 ILE 44 2HG2 ILE 44 -2.026 5.963 5.394 305 HG23 ILE 44 3HG2 ILE 44 -2.748 4.510 4.693 306 HD11 ILE 44 3HD1 ILE 44 -5.021 2.043 5.850 307 HD12 ILE 44 1HD1 ILE 44 -3.965 3.003 4.814 308 HD13 ILE 44 2HD1 ILE 44 -5.421 3.733 5.527 309 H ALA 45 H ALA 45 -0.224 5.981 7.938 310 HA ALA 45 HA ALA 45 0.952 3.421 8.188 311 HB1 ALA 45 1HB ALA 45 2.144 5.326 7.225 312 HB2 ALA 45 2HB ALA 45 3.033 4.571 8.553 313 HB3 ALA 45 3HB ALA 45 2.174 6.094 8.820 314 H VAL 46 H VAL 46 -0.026 5.833 10.476 315 HA VAL 46 HA VAL 46 1.218 4.727 12.739 316 HB VAL 46 HB VAL 46 -1.221 6.557 12.513 317 HG11 VAL 46 1HG1 VAL 46 0.399 5.841 14.967 318 HG12 VAL 46 2HG1 VAL 46 -1.263 5.324 14.659 319 HG13 VAL 46 3HG1 VAL 46 -0.897 7.034 14.884 320 HG21 VAL 46 3HG2 VAL 46 0.348 8.259 13.201 321 HG22 VAL 46 1HG2 VAL 46 0.858 7.473 11.706 322 HG23 VAL 46 2HG2 VAL 46 1.643 7.063 13.228 323 H LEU 47 H LEU 47 -1.848 4.117 11.166 324 HA LEU 47 HA LEU 47 -2.869 2.291 13.090 325 HB2 LEU 47 2HB LEU 47 -3.476 2.719 10.171 326 HB3 LEU 47 1HB LEU 47 -4.290 1.503 11.135 327 HG LEU 47 HG LEU 47 -4.348 4.445 11.833 328 HD11 LEU 47 1HD1 LEU 47 -5.389 4.054 9.620 329 HD12 LEU 47 2HD1 LEU 47 -6.575 4.469 10.851 330 HD13 LEU 47 3HD1 LEU 47 -6.401 2.796 10.337 331 HD21 LEU 47 3HD2 LEU 47 -6.053 2.104 12.642 332 HD22 LEU 47 1HD2 LEU 47 -6.232 3.759 13.218 333 HD23 LEU 47 2HD2 LEU 47 -4.794 2.818 13.655 334 H PHE 48 H PHE 48 -0.898 1.915 10.193 335 HA PHE 48 HA PHE 48 -0.903 -0.905 10.275 336 HB2 PHE 48 2HB PHE 48 0.787 1.074 8.817 337 HB3 PHE 48 1HB PHE 48 1.270 -0.618 8.867 338 HD1 PHE 48 2HD PHE 48 -1.719 1.477 8.140 339 HD2 PHE 48 1HD PHE 48 0.504 -2.027 7.248 340 HE1 PHE 48 2HE PHE 48 -3.267 0.944 6.289 341 HE2 PHE 48 1HE PHE 48 -1.053 -2.538 5.398 342 HZ PHE 48 HZ PHE 48 -2.923 -1.033 4.948 343 H LYS 49 H LYS 49 1.177 1.454 11.845 344 HA LYS 49 HA LYS 49 3.185 -0.340 12.487 345 HB2 LYS 49 2HB LYS 49 3.380 2.096 12.743 346 HB3 LYS 49 1HB LYS 49 2.341 2.001 14.166 347 HG2 LYS 49 2HG LYS 49 3.914 0.750 15.371 348 HG3 LYS 49 1HG LYS 49 4.871 0.410 13.932 349 HD2 LYS 49 2HD LYS 49 6.035 2.063 15.145 350 HD3 LYS 49 1HD LYS 49 5.249 2.770 13.719 351 HE2 LYS 49 2HE LYS 49 3.516 3.754 15.058 352 HE3 LYS 49 1HE LYS 49 4.097 2.922 16.502 353 HZ1 LYS 49 3HZ LYS 49 4.793 5.219 16.494 354 HZ2 LYS 49 1HZ LYS 49 5.559 5.024 15.002 355 HZ3 LYS 49 2HZ LYS 49 6.147 4.201 16.336 356 H LYS 50 H LYS 50 0.080 0.183 14.217 357 HA LYS 50 HA LYS 50 0.902 -1.598 16.224 358 HB2 LYS 50 2HB LYS 50 -1.826 -0.544 15.590 359 HB3 LYS 50 1HB LYS 50 -1.537 -1.710 16.857 360 HG2 LYS 50 2HG LYS 50 -1.520 0.235 18.027 361 HG3 LYS 50 1HG LYS 50 0.197 0.023 17.723 362 HD2 LYS 50 2HD LYS 50 -0.376 2.328 17.354 363 HD3 LYS 50 1HD LYS 50 -0.075 1.595 15.773 364 HE2 LYS 50 2HE LYS 50 -2.406 1.373 15.348 365 HE3 LYS 50 1HE LYS 50 -2.815 1.860 16.994 366 HZ1 LYS 50 3HZ LYS 50 -1.920 4.057 16.490 367 HZ2 LYS 50 1HZ LYS 50 -3.157 3.691 15.446 368 HZ3 LYS 50 2HZ LYS 50 -1.560 3.555 14.911 369 H LYS 51 H LYS 51 -1.190 -2.009 13.383 370 HA LYS 51 HA LYS 51 -1.857 -4.693 14.101 371 HB2 LYS 51 2HB LYS 51 -2.404 -3.098 11.644 372 HB3 LYS 51 1HB LYS 51 -3.047 -4.706 11.961 373 HG2 LYS 51 2HG LYS 51 -4.167 -3.849 13.951 374 HG3 LYS 51 1HG LYS 51 -3.524 -2.241 13.607 375 HD2 LYS 51 2HD LYS 51 -4.607 -2.260 11.481 376 HD3 LYS 51 1HD LYS 51 -5.283 -3.860 11.807 377 HE2 LYS 51 2HE LYS 51 -5.849 -1.338 13.387 378 HE3 LYS 51 1HE LYS 51 -6.946 -2.090 12.232 379 HZ1 LYS 51 3HZ LYS 51 -7.011 -4.054 13.648 380 HZ2 LYS 51 1HZ LYS 51 -7.529 -2.689 14.486 381 HZ3 LYS 51 2HZ LYS 51 -5.993 -3.333 14.767 382 H PHE 52 H PHE 52 0.218 -3.209 11.670 383 HA PHE 52 HA PHE 52 1.005 -5.839 10.662 384 HB2 PHE 52 2HB PHE 52 1.124 -3.084 9.436 385 HB3 PHE 52 1HB PHE 52 1.875 -4.501 8.714 386 HD1 PHE 52 1HD PHE 52 -1.380 -3.145 9.843 387 HD2 PHE 52 2HD PHE 52 0.649 -5.919 7.359 388 HE1 PHE 52 1HE PHE 52 -3.487 -3.683 8.756 389 HE2 PHE 52 2HE PHE 52 -1.441 -6.473 6.248 390 HZ PHE 52 HZ PHE 52 -3.547 -5.365 6.937 391 H GLY 53 H GLY 53 1.889 -4.319 13.057 392 HA2 GLY 53 2HA GLY 53 4.231 -2.986 13.058 393 HA3 GLY 53 1HA GLY 53 3.817 -4.163 14.286 394 H GLY 54 H GLY 54 5.783 -3.359 11.721 395 HA2 GLY 54 2HA GLY 54 7.501 -5.625 12.221 396 HA3 GLY 54 1HA GLY 54 6.900 -5.430 10.573 397 H VAL 55 H VAL 55 7.853 -3.063 12.995 398 HA VAL 55 HA VAL 55 9.018 -1.336 11.140 399 HB VAL 55 HB VAL 55 9.426 -1.479 14.146 400 HG11 VAL 55 1HG1 VAL 55 10.148 0.863 13.970 401 HG12 VAL 55 2HG1 VAL 55 10.039 0.746 12.207 402 HG13 VAL 55 3HG1 VAL 55 11.217 -0.228 13.085 403 HG21 VAL 55 3HG2 VAL 55 7.759 0.316 14.214 404 HG22 VAL 55 1HG2 VAL 55 7.102 -1.151 13.487 405 HG23 VAL 55 2HG2 VAL 55 7.573 0.211 12.464 406 H GLN 56 H GLN 56 10.481 -3.832 13.232 407 HA GLN 56 HA GLN 56 13.099 -3.205 12.466 408 HB2 GLN 56 2HB GLN 56 11.848 -5.598 13.790 409 HB3 GLN 56 1HB GLN 56 13.538 -5.562 13.356 410 HG2 GLN 56 2HG GLN 56 13.171 -5.000 15.726 411 HG3 GLN 56 1HG GLN 56 13.937 -3.688 14.844 412 HE21 GLN 56 1HE2 GLN 56 11.090 -4.757 16.463 413 HE22 GLN 56 2HE2 GLN 56 10.317 -3.221 16.578 414 H GLU 57 H GLU 57 10.713 -5.482 11.281 415 HA GLU 57 HA GLU 57 12.187 -6.813 9.400 416 HB2 GLU 57 2HB GLU 57 9.335 -5.984 9.482 417 HB3 GLU 57 1HB GLU 57 9.995 -6.932 8.158 418 HG2 GLU 57 2HG GLU 57 8.963 -8.334 9.746 419 HG3 GLU 57 1HG GLU 57 10.689 -8.625 9.688 420 H LEU 58 H LEU 58 10.540 -3.739 9.248 421 HA LEU 58 HA LEU 58 11.097 -3.175 6.523 422 HB2 LEU 58 2HB LEU 58 10.407 -1.316 8.792 423 HB3 LEU 58 1HB LEU 58 10.448 -0.860 7.106 424 HG LEU 58 HG LEU 58 8.554 -2.847 8.343 425 HD11 LEU 58 1HD1 LEU 58 8.079 -0.545 8.994 426 HD12 LEU 58 2HD1 LEU 58 6.856 -1.149 7.871 427 HD13 LEU 58 3HD1 LEU 58 8.111 -0.053 7.300 428 HD21 LEU 58 3HD2 LEU 58 8.745 -1.778 5.533 429 HD22 LEU 58 1HD2 LEU 58 7.442 -2.784 6.157 430 HD23 LEU 58 2HD2 LEU 58 9.080 -3.433 6.038 431 H LEU 59 H LEU 59 12.540 -2.002 9.559 432 HA LEU 59 HA LEU 59 14.430 -0.371 8.282 433 HB2 LEU 59 2HB LEU 59 14.385 -1.479 11.069 434 HB3 LEU 59 1HB LEU 59 15.606 -0.358 10.500 435 HG LEU 59 HG LEU 59 12.638 0.219 10.643 436 HD11 LEU 59 1HD1 LEU 59 13.663 0.085 12.844 437 HD12 LEU 59 2HD1 LEU 59 13.251 1.754 12.412 438 HD13 LEU 59 3HD1 LEU 59 14.925 1.213 12.328 439 HD21 LEU 59 3HD2 LEU 59 14.976 1.971 9.911 440 HD22 LEU 59 1HD2 LEU 59 13.318 2.517 10.152 441 HD23 LEU 59 2HD2 LEU 59 13.686 1.418 8.833 442 H ASN 60 H ASN 60 14.690 -3.733 9.331 443 HA ASN 60 HA ASN 60 17.462 -3.805 8.787 444 HB2 ASN 60 2HB ASN 60 15.470 -6.048 9.067 445 HB3 ASN 60 1HB ASN 60 17.210 -6.293 8.912 446 HD21 ASN 60 1HD2 ASN 60 15.405 -6.899 11.106 447 HD22 ASN 60 2HD2 ASN 60 16.043 -6.097 12.498 448 H GLN 61 H GLN 61 14.753 -3.972 6.684 449 HA GLN 61 HA GLN 61 16.251 -5.171 4.538 450 HB2 GLN 61 2HB GLN 61 13.611 -3.705 4.519 451 HB3 GLN 61 1HB GLN 61 14.350 -4.374 3.075 452 HG2 GLN 61 2HG GLN 61 14.261 -6.611 4.102 453 HG3 GLN 61 1HG GLN 61 13.458 -5.909 5.503 454 HE21 GLN 61 1HE2 GLN 61 11.347 -5.240 5.317 455 HE22 GLN 61 2HE2 GLN 61 10.326 -5.711 3.997 456 H GLN 62 H GLN 62 15.964 -2.078 5.882 457 HA GLN 62 HA GLN 62 16.647 -0.067 5.450 458 HB2 GLN 62 2HB GLN 62 18.833 -1.483 3.965 459 HB3 GLN 62 1HB GLN 62 18.814 0.227 4.400 460 HG2 GLN 62 2HG GLN 62 18.575 -0.382 6.717 461 HG3 GLN 62 1HG GLN 62 18.743 -2.085 6.296 462 HE21 GLN 62 1HE2 GLN 62 20.416 -0.509 8.013 463 HE22 GLN 62 2HE2 GLN 62 22.008 -0.544 7.353 464 H LYS 63 H LYS 63 15.311 1.159 4.449 465 HA LYS 63 HA LYS 63 15.412 1.107 1.615 466 HB2 LYS 63 2HB LYS 63 13.007 1.713 1.649 467 HB3 LYS 63 1HB LYS 63 13.325 0.107 2.235 468 HG2 LYS 63 2HG LYS 63 12.793 2.491 4.003 469 HG3 LYS 63 1HG LYS 63 11.628 1.289 3.465 470 HD2 LYS 63 2HD LYS 63 12.969 -0.429 4.573 471 HD3 LYS 63 1HD LYS 63 14.026 0.803 5.181 472 HE2 LYS 63 2HE LYS 63 11.075 0.715 5.788 473 HE3 LYS 63 1HE LYS 63 12.362 0.237 6.897 474 HZ1 LYS 63 3HZ LYS 63 11.622 2.479 7.380 475 HZ2 LYS 63 1HZ LYS 63 11.928 2.970 5.795 476 HZ3 LYS 63 2HZ LYS 63 13.189 2.534 6.818 477 H LYS 64 H LYS 64 15.522 3.191 0.695 478 HA LYS 64 HA LYS 64 15.359 5.464 2.526 479 HB2 LYS 64 2HB LYS 64 17.127 5.024 0.148 480 HB3 LYS 64 1HB LYS 64 16.909 6.599 0.885 481 HG2 LYS 64 2HG LYS 64 17.990 4.178 2.334 482 HG3 LYS 64 1HG LYS 64 18.989 5.463 1.650 483 HD2 LYS 64 2HD LYS 64 17.931 7.093 3.132 484 HD3 LYS 64 1HD LYS 64 16.878 5.843 3.789 485 HE2 LYS 64 2HE LYS 64 18.818 4.672 4.694 486 HE3 LYS 64 1HE LYS 64 19.891 5.877 3.984 487 HZ1 LYS 64 3HZ LYS 64 19.052 7.506 5.396 488 HZ2 LYS 64 1HZ LYS 64 19.402 6.231 6.393 489 HZ3 LYS 64 2HZ LYS 64 17.794 6.611 5.991 490 H SER 65 H SER 65 15.034 7.557 1.167 491 HA SER 65 HA SER 65 12.453 7.536 0.214 492 HB2 SER 65 2HB SER 65 13.067 9.822 -0.636 493 HB3 SER 65 1HB SER 65 13.477 9.534 1.057 494 HG SER 65 HG SER 65 15.354 8.958 -0.927 495 H GLY 66 H GLY 66 11.668 6.635 -1.572 496 HA2 GLY 66 2HA GLY 66 11.581 6.733 -4.001 497 HA3 GLY 66 1HA GLY 66 13.339 6.712 -3.997 498 H GLU 67 H GLU 67 12.678 4.627 -1.622 499 HA GLU 67 HA GLU 67 12.506 2.327 -3.427 500 HB2 GLU 67 2HB GLU 67 13.814 2.561 -0.711 501 HB3 GLU 67 1HB GLU 67 13.701 1.089 -1.659 502 HG2 GLU 67 2HG GLU 67 15.111 2.125 -3.382 503 HG3 GLU 67 1HG GLU 67 15.236 3.574 -2.377 504 H VAL 68 H VAL 68 11.525 0.463 -2.400 505 HA VAL 68 HA VAL 68 9.399 1.279 -0.554 506 HB VAL 68 HB VAL 68 8.557 0.906 -2.874 507 HG11 VAL 68 1HG1 VAL 68 10.098 -0.796 -3.619 508 HG12 VAL 68 2HG1 VAL 68 8.431 -1.345 -3.804 509 HG13 VAL 68 3HG1 VAL 68 9.416 -1.946 -2.471 510 HG21 VAL 68 3HG2 VAL 68 6.704 -0.525 -2.315 511 HG22 VAL 68 1HG2 VAL 68 7.091 0.551 -0.957 512 HG23 VAL 68 2HG2 VAL 68 7.572 -1.146 -0.910 513 H ALA 69 H ALA 69 9.055 0.023 1.142 514 HA ALA 69 HA ALA 69 10.705 -2.383 1.448 515 HB1 ALA 69 1HB ALA 69 10.962 -0.730 3.228 516 HB2 ALA 69 2HB ALA 69 10.197 -2.187 3.856 517 HB3 ALA 69 3HB ALA 69 9.226 -0.753 3.532 518 H VAL 70 H VAL 70 9.719 -4.362 1.785 519 HA VAL 70 HA VAL 70 6.793 -4.314 1.434 520 HB VAL 70 HB VAL 70 8.677 -6.335 0.213 521 HG11 VAL 70 1HG1 VAL 70 5.731 -5.933 -0.190 522 HG12 VAL 70 2HG1 VAL 70 6.517 -7.275 0.648 523 HG13 VAL 70 3HG1 VAL 70 6.749 -7.059 -1.090 524 HG21 VAL 70 3HG2 VAL 70 7.253 -4.060 -1.177 525 HG22 VAL 70 1HG2 VAL 70 8.179 -5.332 -1.977 526 HG23 VAL 70 2HG2 VAL 70 8.990 -4.187 -0.906 527 H LEU 71 H LEU 71 5.656 -5.675 2.661 528 HA LEU 71 HA LEU 71 7.041 -7.762 4.238 529 HB2 LEU 71 2HB LEU 71 4.730 -6.032 5.154 530 HB3 LEU 71 1HB LEU 71 5.366 -7.388 6.035 531 HG LEU 71 HG LEU 71 6.808 -4.791 5.500 532 HD11 LEU 71 1HD1 LEU 71 6.668 -4.510 7.924 533 HD12 LEU 71 2HD1 LEU 71 5.774 -6.019 8.053 534 HD13 LEU 71 3HD1 LEU 71 5.057 -4.646 7.213 535 HD21 LEU 71 3HD2 LEU 71 8.392 -6.650 5.468 536 HD22 LEU 71 1HD2 LEU 71 7.736 -7.245 6.998 537 HD23 LEU 71 2HD2 LEU 71 8.575 -5.695 6.938 538 H LYS 72 H LYS 72 5.951 -9.732 4.289 539 HA LYS 72 HA LYS 72 3.467 -9.728 2.762 540 HB2 LYS 72 2HB LYS 72 5.180 -11.206 1.874 541 HB3 LYS 72 1HB LYS 72 5.264 -12.040 3.439 542 HG2 LYS 72 2HG LYS 72 3.041 -12.918 3.133 543 HG3 LYS 72 1HG LYS 72 2.804 -11.942 1.697 544 HD2 LYS 72 2HD LYS 72 3.206 -14.172 0.989 545 HD3 LYS 72 1HD LYS 72 4.613 -13.215 0.581 546 HE2 LYS 72 2HE LYS 72 4.389 -15.084 2.958 547 HE3 LYS 72 1HE LYS 72 5.124 -15.451 1.405 548 HZ1 LYS 72 3HZ LYS 72 6.776 -13.671 1.866 549 HZ2 LYS 72 1HZ LYS 72 6.839 -14.932 2.915 550 HZ3 LYS 72 2HZ LYS 72 6.151 -13.503 3.429 551 H ARG 73 H ARG 73 1.713 -10.064 3.674 552 HA ARG 73 HA ARG 73 1.732 -10.575 6.577 553 HB2 ARG 73 2HB ARG 73 0.696 -8.464 5.909 554 HB3 ARG 73 1HB ARG 73 -0.430 -9.307 4.872 555 HG2 ARG 73 2HG ARG 73 -1.554 -8.618 6.889 556 HG3 ARG 73 1HG ARG 73 -1.420 -10.374 6.872 557 HD2 ARG 73 2HD ARG 73 0.494 -10.233 8.396 558 HD3 ARG 73 1HD ARG 73 0.363 -8.476 8.402 559 HE ARG 73 HE ARG 73 -2.096 -9.629 9.091 560 HH11 ARG 73 1HH1 ARG 73 1.126 -9.087 10.519 561 HH12 ARG 73 2HH1 ARG 73 0.527 -9.082 12.111 562 HH21 ARG 73 1HH2 ARG 73 -2.852 -9.635 11.314 563 HH22 ARG 73 2HH2 ARG 73 -1.716 -9.416 12.567 564 H ASP 74 H ASP 74 -0.984 -11.113 4.371 565 HA ASP 74 HA ASP 74 -1.279 -13.809 5.491 566 HB2 ASP 74 2HB ASP 74 -3.171 -12.509 3.477 567 HB3 ASP 74 1HB ASP 74 -3.505 -13.780 4.637 568 H GLY 75 H GLY 75 -2.165 -12.715 2.292 569 HA2 GLY 75 2HA GLY 75 0.034 -14.184 1.090 570 HA3 GLY 75 1HA GLY 75 -1.625 -14.308 0.474 571 H ARG 76 H ARG 76 -0.970 -11.423 1.952 572 HA ARG 76 HA ARG 76 -0.956 -10.024 -0.616 573 HB2 ARG 76 2HB ARG 76 -1.950 -8.159 0.568 574 HB3 ARG 76 1HB ARG 76 -2.868 -9.599 0.978 575 HG2 ARG 76 2HG ARG 76 -1.798 -9.741 3.120 576 HG3 ARG 76 1HG ARG 76 -0.691 -8.437 2.700 577 HD2 ARG 76 2HD ARG 76 -2.305 -7.453 4.076 578 HD3 ARG 76 1HD ARG 76 -2.751 -6.987 2.440 579 HE ARG 76 HE ARG 76 -4.033 -9.165 3.931 580 HH11 ARG 76 1HH1 ARG 76 -4.307 -6.470 1.620 581 HH12 ARG 76 2HH1 ARG 76 -5.969 -6.276 1.803 582 HH21 ARG 76 1HH2 ARG 76 -6.392 -8.859 4.193 583 HH22 ARG 76 2HH2 ARG 76 -7.206 -7.674 3.282 584 H TYR 77 H TYR 77 0.548 -8.360 -0.882 585 HA TYR 77 HA TYR 77 2.745 -8.347 1.035 586 HB2 TYR 77 2HB TYR 77 2.631 -7.492 -1.866 587 HB3 TYR 77 1HB TYR 77 4.044 -7.302 -0.831 588 HD1 TYR 77 2HD TYR 77 1.913 -9.730 -2.604 589 HD2 TYR 77 1HD TYR 77 5.425 -9.195 -0.266 590 HE1 TYR 77 2HE TYR 77 2.653 -12.004 -3.191 591 HE2 TYR 77 1HE TYR 77 6.161 -11.471 -0.858 592 HH TYR 77 HH TYR 77 4.667 -13.278 -3.312 593 H ILE 78 H ILE 78 3.315 -6.497 2.026 594 HA ILE 78 HA ILE 78 1.462 -4.248 1.712 595 HB ILE 78 HB ILE 78 3.492 -4.553 3.938 596 HG12 ILE 78 2HG1 ILE 78 2.162 -6.629 3.944 597 HG13 ILE 78 1HG1 ILE 78 1.780 -5.624 5.334 598 HG21 ILE 78 1HG2 ILE 78 0.805 -3.195 3.758 599 HG22 ILE 78 2HG2 ILE 78 2.376 -2.390 3.653 600 HG23 ILE 78 3HG2 ILE 78 1.873 -3.176 5.156 601 HD11 ILE 78 3HD1 ILE 78 -0.253 -4.874 4.216 602 HD12 ILE 78 1HD1 ILE 78 -0.177 -6.635 4.404 603 HD13 ILE 78 2HD1 ILE 78 0.156 -5.898 2.831 604 H TYR 79 H TYR 79 2.217 -2.529 0.702 605 HA TYR 79 HA TYR 79 5.084 -2.325 0.225 606 HB2 TYR 79 2HB TYR 79 2.754 -1.160 -1.290 607 HB3 TYR 79 1HB TYR 79 4.441 -0.807 -1.655 608 HD1 TYR 79 1HD TYR 79 1.862 -3.436 -1.631 609 HD2 TYR 79 2HD TYR 79 5.809 -2.373 -2.759 610 HE1 TYR 79 1HE TYR 79 2.021 -5.477 -2.965 611 HE2 TYR 79 2HE TYR 79 5.990 -4.397 -4.082 612 HH TYR 79 HH TYR 79 3.310 -6.422 -4.768 613 H TYR 80 H TYR 80 6.083 -1.092 1.507 614 HA TYR 80 HA TYR 80 4.816 1.322 2.508 615 HB2 TYR 80 2HB TYR 80 7.282 -0.176 3.366 616 HB3 TYR 80 1HB TYR 80 6.792 1.363 4.056 617 HD1 TYR 80 1HD TYR 80 4.792 1.503 5.448 618 HD2 TYR 80 2HD TYR 80 6.151 -2.227 3.950 619 HE1 TYR 80 1HE TYR 80 3.375 0.347 7.083 620 HE2 TYR 80 2HE TYR 80 4.738 -3.397 5.582 621 HH TYR 80 HH TYR 80 3.658 -2.945 7.766 622 H LEU 81 H LEU 81 4.994 2.737 0.968 623 HA LEU 81 HA LEU 81 7.261 3.077 -0.780 624 HB2 LEU 81 2HB LEU 81 4.929 4.903 -0.221 625 HB3 LEU 81 1HB LEU 81 5.963 4.973 -1.606 626 HG LEU 81 HG LEU 81 3.983 2.798 -0.946 627 HD11 LEU 81 1HD1 LEU 81 2.945 4.835 -1.716 628 HD12 LEU 81 2HD1 LEU 81 2.817 3.573 -2.940 629 HD13 LEU 81 3HD1 LEU 81 4.001 4.865 -3.127 630 HD21 LEU 81 3HD2 LEU 81 5.781 3.025 -3.368 631 HD22 LEU 81 1HD2 LEU 81 4.530 1.822 -3.096 632 HD23 LEU 81 2HD2 LEU 81 5.956 1.857 -2.060 633 H ILE 82 H ILE 82 9.082 4.144 -0.142 634 HA ILE 82 HA ILE 82 8.914 5.772 2.276 635 HB ILE 82 HB ILE 82 11.331 5.120 0.602 636 HG12 ILE 82 2HG1 ILE 82 10.294 3.097 1.598 637 HG13 ILE 82 1HG1 ILE 82 11.886 3.459 2.249 638 HG21 ILE 82 1HG2 ILE 82 12.579 5.915 2.501 639 HG22 ILE 82 2HG2 ILE 82 11.076 6.184 3.412 640 HG23 ILE 82 3HG2 ILE 82 11.422 7.155 1.991 641 HD11 ILE 82 3HD1 ILE 82 10.858 4.382 4.243 642 HD12 ILE 82 1HD1 ILE 82 10.446 2.712 3.980 643 HD13 ILE 82 2HD1 ILE 82 9.235 3.971 3.653 644 H THR 83 H THR 83 8.219 7.684 2.017 645 HA THR 83 HA THR 83 8.894 9.171 -0.336 646 HB THR 83 HB THR 83 7.513 10.962 0.806 647 HG1 THR 83 1HG THR 83 6.047 9.761 2.432 648 HG21 THR 83 3HG2 THR 83 6.596 9.559 -0.945 649 HG22 THR 83 1HG2 THR 83 5.376 9.800 0.303 650 HG23 THR 83 2HG2 THR 83 6.265 8.274 0.209 651 H LYS 84 H LYS 84 9.410 9.518 3.191 652 HA LYS 84 HA LYS 84 11.866 10.958 2.643 653 HB2 LYS 84 2HB LYS 84 9.526 12.178 4.080 654 HB3 LYS 84 1HB LYS 84 11.163 12.773 4.264 655 HG2 LYS 84 2HG LYS 84 9.709 12.598 1.641 656 HG3 LYS 84 1HG LYS 84 9.763 14.046 2.646 657 HD2 LYS 84 2HD LYS 84 12.172 14.144 2.434 658 HD3 LYS 84 1HD LYS 84 12.194 12.633 1.519 659 HE2 LYS 84 2HE LYS 84 10.840 15.184 0.682 660 HE3 LYS 84 1HE LYS 84 12.420 14.634 0.118 661 HZ1 LYS 84 3HZ LYS 84 10.684 14.086 -1.446 662 HZ2 LYS 84 1HZ LYS 84 9.865 13.164 -0.269 663 HZ3 LYS 84 2HZ LYS 84 11.398 12.707 -0.810 664 H LYS 85 H LYS 85 12.586 11.820 4.970 665 HA LYS 85 HA LYS 85 13.328 9.452 6.446 666 HB2 LYS 85 2HB LYS 85 13.784 12.350 7.102 667 HB3 LYS 85 1HB LYS 85 14.639 10.980 7.781 668 HG2 LYS 85 2HG LYS 85 15.604 10.494 5.620 669 HG3 LYS 85 1HG LYS 85 14.686 11.835 4.922 670 HD2 LYS 85 2HD LYS 85 15.828 13.369 6.485 671 HD3 LYS 85 1HD LYS 85 16.823 12.019 7.037 672 HE2 LYS 85 2HE LYS 85 17.653 11.742 4.718 673 HE3 LYS 85 1HE LYS 85 16.695 13.139 4.243 674 HZ1 LYS 85 3HZ LYS 85 17.966 14.488 5.798 675 HZ2 LYS 85 1HZ LYS 85 18.973 13.756 4.661 676 HZ3 LYS 85 2HZ LYS 85 18.887 13.143 6.223 677 H ARG 86 H ARG 86 11.534 12.391 7.430 678 HA ARG 86 HA ARG 86 10.704 10.934 9.830 679 HB2 ARG 86 2HB ARG 86 11.351 13.834 9.432 680 HB3 ARG 86 1HB ARG 86 10.327 13.338 10.758 681 HG2 ARG 86 2HG ARG 86 12.726 13.724 11.280 682 HG3 ARG 86 1HG ARG 86 12.149 12.117 11.791 683 HD2 ARG 86 2HD ARG 86 13.186 11.242 9.748 684 HD3 ARG 86 1HD ARG 86 13.695 12.884 9.360 685 HE ARG 86 HE ARG 86 14.821 12.610 11.717 686 HH11 ARG 86 1HH1 ARG 86 14.722 10.024 9.173 687 HH12 ARG 86 2HH1 ARG 86 16.261 9.475 9.554 688 HH21 ARG 86 1HH2 ARG 86 16.966 11.687 12.187 689 HH22 ARG 86 2HH2 ARG 86 17.538 10.378 11.257 690 H ALA 87 H ALA 87 8.601 11.764 10.805 691 HA ALA 87 HA ALA 87 6.511 11.333 8.969 692 HB1 ALA 87 1HB ALA 87 6.402 10.769 11.344 693 HB2 ALA 87 2HB ALA 87 5.032 11.758 10.837 694 HB3 ALA 87 3HB ALA 87 6.357 12.489 11.740 695 H SER 88 H SER 88 7.871 14.311 10.208 696 HA SER 88 HA SER 88 5.715 15.937 9.160 697 HB2 SER 88 2HB SER 88 6.809 16.456 11.345 698 HB3 SER 88 1HB SER 88 8.324 16.731 10.498 699 HG SER 88 HG SER 88 6.004 18.196 9.812 700 H HIS 89 H HIS 89 7.867 14.327 7.484 701 HA HIS 89 HA HIS 89 8.916 16.561 5.964 702 HB2 HIS 89 2HB HIS 89 9.555 13.619 5.854 703 HB3 HIS 89 1HB HIS 89 10.179 14.784 4.701 704 HD1 HIS 89 1HD HIS 89 12.541 13.834 5.780 705 HD2 HIS 89 2HD HIS 89 10.199 16.326 8.065 706 HE1 HIS 89 1HE HIS 89 13.993 14.470 7.717 707 HE2 HIS 89 2HE HIS 89 12.620 16.128 9.027 708 H LYS 90 H LYS 90 8.706 16.670 3.790 709 HA LYS 90 HA LYS 90 5.948 16.031 3.009 710 HB2 LYS 90 2HB LYS 90 6.197 17.778 1.306 711 HB3 LYS 90 1HB LYS 90 6.516 18.348 2.942 712 HG2 LYS 90 2HG LYS 90 8.879 18.343 2.564 713 HG3 LYS 90 1HG LYS 90 8.676 17.562 0.993 714 HD2 LYS 90 2HD LYS 90 9.114 19.922 0.715 715 HD3 LYS 90 1HD LYS 90 7.479 19.521 0.199 716 HE2 LYS 90 2HE LYS 90 6.598 20.352 2.316 717 HE3 LYS 90 1HE LYS 90 8.232 20.745 2.849 718 HZ1 LYS 90 3HZ LYS 90 6.874 21.914 0.484 719 HZ2 LYS 90 1HZ LYS 90 8.415 22.292 1.023 720 HZ3 LYS 90 2HZ LYS 90 7.087 22.690 1.982 721 HA PRO 91 HA PRO 91 7.382 13.390 -0.337 722 HB2 PRO 91 2HB PRO 91 4.980 12.581 -1.196 723 HB3 PRO 91 1HB PRO 91 5.631 12.006 0.344 724 HG2 PRO 91 2HG PRO 91 3.560 14.084 -0.182 725 HG3 PRO 91 1HG PRO 91 3.640 12.883 1.120 726 HD2 PRO 91 2HD PRO 91 4.391 15.563 1.330 727 HD3 PRO 91 1HD PRO 91 4.873 14.264 2.443 728 H THR 92 H THR 92 7.473 13.589 -2.638 729 HA THR 92 HA THR 92 6.107 15.923 -3.740 730 HB THR 92 HB THR 92 7.977 15.952 -5.454 731 HG1 THR 92 1HG THR 92 9.843 14.805 -4.931 732 HG21 THR 92 3HG2 THR 92 9.729 16.813 -4.036 733 HG22 THR 92 1HG2 THR 92 8.950 16.090 -2.629 734 HG23 THR 92 2HG2 THR 92 8.152 17.420 -3.503 735 H TYR 93 H TYR 93 5.832 15.560 -6.252 736 HA TYR 93 HA TYR 93 4.293 13.211 -6.550 737 HB2 TYR 93 2HB TYR 93 5.294 15.136 -8.644 738 HB3 TYR 93 1HB TYR 93 4.226 13.785 -8.969 739 HD1 TYR 93 2HD TYR 93 2.004 13.709 -7.753 740 HD2 TYR 93 1HD TYR 93 4.396 17.214 -7.985 741 HE1 TYR 93 2HE TYR 93 0.039 15.072 -7.254 742 HE2 TYR 93 1HE TYR 93 2.421 18.591 -7.501 743 HH TYR 93 HH TYR 93 0.107 18.508 -7.600 744 H GLU 94 H GLU 94 7.504 14.154 -7.626 745 HA GLU 94 HA GLU 94 8.145 11.825 -9.176 746 HB2 GLU 94 2HB GLU 94 9.990 13.569 -7.547 747 HB3 GLU 94 1HB GLU 94 10.431 12.528 -8.886 748 HG2 GLU 94 2HG GLU 94 9.230 13.947 -10.425 749 HG3 GLU 94 1HG GLU 94 8.676 14.959 -9.092 750 H ASN 95 H ASN 95 8.546 12.707 -5.838 751 HA ASN 95 HA ASN 95 10.020 10.551 -4.811 752 HB2 ASN 95 2HB ASN 95 9.292 12.796 -3.777 753 HB3 ASN 95 1HB ASN 95 7.762 12.060 -3.562 754 HD21 ASN 95 1HD2 ASN 95 10.768 10.335 -3.067 755 HD22 ASN 95 2HD2 ASN 95 10.543 10.176 -1.362 756 H LEU 96 H LEU 96 6.527 11.083 -4.976 757 HA LEU 96 HA LEU 96 5.809 8.523 -4.044 758 HB2 LEU 96 2HB LEU 96 4.315 10.492 -4.052 759 HB3 LEU 96 1HB LEU 96 4.250 10.412 -5.800 760 HG LEU 96 HG LEU 96 3.164 8.188 -5.623 761 HD11 LEU 96 1HD1 LEU 96 4.008 7.497 -3.446 762 HD12 LEU 96 2HD1 LEU 96 2.246 7.489 -3.463 763 HD13 LEU 96 3HD1 LEU 96 3.110 8.803 -2.670 764 HD21 LEU 96 3HD2 LEU 96 1.840 10.159 -5.931 765 HD22 LEU 96 1HD2 LEU 96 1.846 10.474 -4.198 766 HD23 LEU 96 2HD2 LEU 96 0.996 9.064 -4.839 767 H GLN 97 H GLN 97 6.194 9.875 -7.361 768 HA GLN 97 HA GLN 97 5.368 7.802 -8.891 769 HB2 GLN 97 2HB GLN 97 5.907 10.003 -9.707 770 HB3 GLN 97 1HB GLN 97 7.583 9.803 -9.219 771 HG2 GLN 97 2HG GLN 97 7.893 8.134 -10.711 772 HG3 GLN 97 1HG GLN 97 6.183 8.164 -11.262 773 HE21 GLN 97 1HE2 GLN 97 6.694 8.708 -13.420 774 HE22 GLN 97 2HE2 GLN 97 7.374 10.226 -13.851 775 H LYS 98 H LYS 98 8.605 8.480 -7.647 776 HA LYS 98 HA LYS 98 9.951 6.274 -8.679 777 HB2 LYS 98 2HB LYS 98 10.404 7.995 -6.280 778 HB3 LYS 98 1HB LYS 98 11.582 6.789 -6.700 779 HG2 LYS 98 2HG LYS 98 11.833 7.884 -8.918 780 HG3 LYS 98 1HG LYS 98 10.668 9.101 -8.411 781 HD2 LYS 98 2HD LYS 98 12.939 9.935 -8.156 782 HD3 LYS 98 1HD LYS 98 12.172 9.750 -6.581 783 HE2 LYS 98 2HE LYS 98 13.353 7.639 -6.250 784 HE3 LYS 98 1HE LYS 98 14.088 7.794 -7.847 785 HZ1 LYS 98 3HZ LYS 98 14.471 9.648 -5.571 786 HZ2 LYS 98 1HZ LYS 98 15.212 9.771 -7.102 787 HZ3 LYS 98 2HZ LYS 98 15.562 8.476 -6.095 788 H SER 99 H SER 99 8.104 6.642 -5.752 789 HA SER 99 HA SER 99 8.757 4.133 -4.598 790 HB2 SER 99 2HB SER 99 6.331 5.895 -4.173 791 HB3 SER 99 1HB SER 99 6.905 4.567 -3.153 792 HG SER 99 HG SER 99 8.225 7.044 -3.637 793 H LEU 100 H LEU 100 5.927 5.246 -6.599 794 HA LEU 100 HA LEU 100 4.638 2.785 -6.775 795 HB2 LEU 100 2HB LEU 100 4.707 5.253 -8.464 796 HB3 LEU 100 1HB LEU 100 3.889 3.833 -9.064 797 HG LEU 100 HG LEU 100 2.483 5.581 -8.018 798 HD11 LEU 100 1HD1 LEU 100 1.055 3.946 -6.768 799 HD12 LEU 100 2HD1 LEU 100 2.404 2.813 -6.750 800 HD13 LEU 100 3HD1 LEU 100 1.661 3.278 -8.281 801 HD21 LEU 100 3HD2 LEU 100 2.281 5.647 -5.568 802 HD22 LEU 100 1HD2 LEU 100 3.864 6.189 -6.129 803 HD23 LEU 100 2HD2 LEU 100 3.680 4.576 -5.446 804 H GLU 101 H GLU 101 7.285 4.075 -8.700 805 HA GLU 101 HA GLU 101 7.394 2.043 -10.655 806 HB2 GLU 101 2HB GLU 101 9.711 3.466 -9.361 807 HB3 GLU 101 1HB GLU 101 9.759 2.617 -10.893 808 HG2 GLU 101 2HG GLU 101 8.108 4.188 -11.731 809 HG3 GLU 101 1HG GLU 101 8.240 5.104 -10.240 810 H ALA 102 H ALA 102 9.000 2.423 -7.659 811 HA ALA 102 HA ALA 102 10.442 0.040 -7.501 812 HB1 ALA 102 1HB ALA 102 10.749 1.981 -5.973 813 HB2 ALA 102 2HB ALA 102 10.643 0.437 -5.122 814 HB3 ALA 102 3HB ALA 102 9.257 1.505 -5.151 815 H MET 103 H MET 103 7.088 0.671 -6.285 816 HA MET 103 HA MET 103 6.872 -1.943 -5.303 817 HB2 MET 103 2HB MET 103 4.426 -1.298 -5.120 818 HB3 MET 103 1HB MET 103 5.573 -0.349 -4.171 819 HG2 MET 103 2HG MET 103 5.448 1.393 -5.723 820 HG3 MET 103 1HG MET 103 4.484 0.398 -6.828 821 HE1 MET 103 3HE MET 103 2.186 -0.161 -6.525 822 HE2 MET 103 1HE MET 103 1.136 0.081 -5.104 823 HE3 MET 103 2HE MET 103 2.546 -1.016 -5.029 824 H LYS 104 H LYS 104 5.824 -0.366 -8.368 825 HA LYS 104 HA LYS 104 4.285 -2.557 -9.176 826 HB2 LYS 104 2HB LYS 104 4.106 -1.491 -11.289 827 HB3 LYS 104 1HB LYS 104 4.105 -0.237 -10.080 828 HG2 LYS 104 2HG LYS 104 5.334 0.650 -11.727 829 HG3 LYS 104 1HG LYS 104 6.601 0.017 -10.676 830 HD2 LYS 104 2HD LYS 104 6.806 -1.962 -12.143 831 HD3 LYS 104 1HD LYS 104 5.512 -1.307 -13.160 832 HE2 LYS 104 2HE LYS 104 6.846 0.599 -13.698 833 HE3 LYS 104 1HE LYS 104 8.173 0.030 -12.666 834 HZ1 LYS 104 3HZ LYS 104 8.628 -0.483 -14.945 835 HZ2 LYS 104 1HZ LYS 104 7.143 -1.174 -15.183 836 HZ3 LYS 104 2HZ LYS 104 8.276 -1.944 -14.184 837 H SER 105 H SER 105 7.676 -1.797 -9.433 838 HA SER 105 HA SER 105 8.401 -3.807 -11.231 839 HB2 SER 105 2HB SER 105 9.903 -1.947 -10.555 840 HB3 SER 105 1HB SER 105 10.009 -2.633 -8.936 841 HG SER 105 HG SER 105 10.694 -4.187 -11.174 842 H HIS 106 H HIS 106 7.918 -3.834 -7.748 843 HA HIS 106 HA HIS 106 8.822 -6.550 -7.398 844 HB2 HIS 106 2HB HIS 106 8.922 -4.994 -5.519 845 HB3 HIS 106 1HB HIS 106 7.166 -4.829 -5.572 846 HD1 HIS 106 1HD HIS 106 6.046 -6.258 -3.847 847 HD2 HIS 106 2HD HIS 106 9.459 -7.976 -5.379 848 HE1 HIS 106 1HE HIS 106 6.259 -8.364 -2.611 849 HE2 HIS 106 2HE HIS 106 8.339 -9.474 -3.536 850 H CYS 107 H CYS 107 5.557 -5.129 -7.584 851 HA CYS 107 HA CYS 107 4.365 -7.565 -7.049 852 HB2 CYS 107 2HB CYS 107 2.306 -6.506 -8.206 853 HB3 CYS 107 1HB CYS 107 2.935 -5.767 -6.730 854 HG CYS 107 HG CYS 107 3.207 -4.678 -9.937 855 H LEU 108 H LEU 108 5.522 -6.380 -10.157 856 HA LEU 108 HA LEU 108 4.370 -8.390 -11.689 857 HB2 LEU 108 2HB LEU 108 6.702 -6.587 -11.996 858 HB3 LEU 108 1HB LEU 108 6.507 -7.922 -13.109 859 HG LEU 108 HG LEU 108 5.657 -5.824 -13.963 860 HD11 LEU 108 1HD1 LEU 108 4.757 -7.931 -14.697 861 HD12 LEU 108 2HD1 LEU 108 3.453 -6.719 -14.663 862 HD13 LEU 108 3HD1 LEU 108 3.609 -7.921 -13.364 863 HD21 LEU 108 3HD2 LEU 108 3.540 -4.905 -13.092 864 HD22 LEU 108 1HD2 LEU 108 4.871 -4.787 -11.932 865 HD23 LEU 108 2HD2 LEU 108 3.658 -6.045 -11.747 866 H LYS 109 H LYS 109 7.154 -8.444 -9.648 867 HA LYS 109 HA LYS 109 8.442 -10.671 -10.865 868 HB2 LYS 109 2HB LYS 109 8.651 -9.610 -8.066 869 HB3 LYS 109 1HB LYS 109 9.768 -10.767 -8.792 870 HG2 LYS 109 2HG LYS 109 10.319 -9.129 -10.463 871 HG3 LYS 109 1HG LYS 109 9.251 -7.960 -9.709 872 HD2 LYS 109 2HD LYS 109 11.542 -7.502 -8.985 873 HD3 LYS 109 1HD LYS 109 10.593 -8.082 -7.624 874 HE2 LYS 109 2HE LYS 109 11.562 -10.298 -7.854 875 HE3 LYS 109 1HE LYS 109 12.447 -9.784 -9.290 876 HZ1 LYS 109 3HZ LYS 109 13.853 -9.786 -7.320 877 HZ2 LYS 109 1HZ LYS 109 12.820 -8.698 -6.546 878 HZ3 LYS 109 2HZ LYS 109 13.668 -8.217 -7.910 879 H ASN 110 H ASN 110 6.260 -10.340 -8.257 880 HA ASN 110 HA ASN 110 6.198 -13.262 -7.852 881 HB2 ASN 110 2HB ASN 110 4.971 -12.794 -5.710 882 HB3 ASN 110 1HB ASN 110 6.601 -12.146 -5.772 883 HD21 ASN 110 1HD2 ASN 110 6.882 -9.940 -5.988 884 HD22 ASN 110 2HD2 ASN 110 5.619 -8.812 -5.650 885 H GLY 111 H GLY 111 4.186 -10.797 -9.144 886 HA2 GLY 111 2HA GLY 111 2.445 -11.424 -10.629 887 HA3 GLY 111 1HA GLY 111 2.241 -12.905 -9.717 888 H VAL 112 H VAL 112 2.220 -9.485 -8.743 889 HA VAL 112 HA VAL 112 -0.426 -9.945 -7.575 890 HB VAL 112 HB VAL 112 1.676 -7.844 -6.912 891 HG11 VAL 112 1HG1 VAL 112 -0.548 -6.764 -6.953 892 HG12 VAL 112 2HG1 VAL 112 0.113 -6.876 -5.327 893 HG13 VAL 112 3HG1 VAL 112 -1.150 -7.992 -5.835 894 HG21 VAL 112 3HG2 VAL 112 1.486 -8.776 -4.677 895 HG22 VAL 112 1HG2 VAL 112 1.932 -10.010 -5.854 896 HG23 VAL 112 2HG2 VAL 112 0.277 -9.921 -5.251 897 H THR 113 H THR 113 -2.112 -9.190 -8.593 898 HA THR 113 HA THR 113 -1.814 -6.942 -10.507 899 HB THR 113 HB THR 113 -3.713 -8.019 -11.713 900 HG1 THR 113 1HG THR 113 -4.440 -9.333 -9.858 901 HG21 THR 113 3HG2 THR 113 -1.404 -8.379 -12.469 902 HG22 THR 113 1HG2 THR 113 -2.376 -9.827 -12.731 903 HG23 THR 113 2HG2 THR 113 -1.255 -9.754 -11.372 904 H ASP 114 H ASP 114 -2.815 -7.539 -7.550 905 HA ASP 114 HA ASP 114 -5.162 -5.816 -7.803 906 HB2 ASP 114 2HB ASP 114 -4.946 -8.321 -6.103 907 HB3 ASP 114 1HB ASP 114 -6.259 -7.158 -6.011 908 H LEU 115 H LEU 115 -4.933 -4.079 -6.605 909 HA LEU 115 HA LEU 115 -3.238 -4.177 -4.206 910 HB2 LEU 115 2HB LEU 115 -3.103 -2.150 -6.423 911 HB3 LEU 115 1HB LEU 115 -2.389 -1.897 -4.847 912 HG LEU 115 HG LEU 115 -1.624 -4.157 -6.691 913 HD11 LEU 115 1HD1 LEU 115 0.394 -2.817 -7.133 914 HD12 LEU 115 2HD1 LEU 115 -0.267 -1.503 -6.158 915 HD13 LEU 115 3HD1 LEU 115 -1.057 -1.964 -7.667 916 HD21 LEU 115 3HD2 LEU 115 0.291 -4.367 -5.211 917 HD22 LEU 115 1HD2 LEU 115 -1.231 -4.527 -4.326 918 HD23 LEU 115 2HD2 LEU 115 -0.316 -3.030 -4.227 919 H SER 116 H SER 116 -3.788 -2.805 -2.526 920 HA SER 116 HA SER 116 -6.111 -1.126 -2.924 921 HB2 SER 116 2HB SER 116 -6.724 -1.782 -0.543 922 HB3 SER 116 1HB SER 116 -6.967 -3.038 -1.751 923 HG SER 116 HG SER 116 -4.786 -3.766 -1.099 924 H MET 117 H MET 117 -5.902 0.882 -2.058 925 HA MET 117 HA MET 117 -3.817 1.455 -0.166 926 HB2 MET 117 2HB MET 117 -2.652 3.062 -1.638 927 HB3 MET 117 1HB MET 117 -2.557 1.423 -2.260 928 HG2 MET 117 2HG MET 117 -4.430 1.999 -3.819 929 HG3 MET 117 1HG MET 117 -4.302 3.662 -3.246 930 HE1 MET 117 3HE MET 117 -0.976 1.443 -5.562 931 HE2 MET 117 1HE MET 117 -2.523 0.709 -5.148 932 HE3 MET 117 2HE MET 117 -1.361 1.082 -3.884 933 HA PRO 118 HA PRO 118 -6.763 4.799 0.407 934 HB2 PRO 118 2HB PRO 118 -5.499 6.199 2.285 935 HB3 PRO 118 1HB PRO 118 -6.057 4.558 2.631 936 HG2 PRO 118 2HG PRO 118 -3.293 5.533 2.073 937 HG3 PRO 118 1HG PRO 118 -3.855 4.232 3.139 938 HD2 PRO 118 2HD PRO 118 -2.824 3.920 0.533 939 HD3 PRO 118 1HD PRO 118 -3.650 2.693 1.513 940 H ARG 119 H ARG 119 -6.082 7.452 1.000 941 HA ARG 119 HA ARG 119 -5.166 8.308 -1.550 942 HB2 ARG 119 2HB ARG 119 -5.569 10.636 -0.736 943 HB3 ARG 119 1HB ARG 119 -6.961 9.582 -0.586 944 HG2 ARG 119 2HG ARG 119 -6.473 9.326 1.824 945 HG3 ARG 119 1HG ARG 119 -5.116 10.436 1.632 946 HD2 ARG 119 2HD ARG 119 -8.019 11.076 1.116 947 HD3 ARG 119 1HD ARG 119 -7.075 11.589 2.513 948 HE ARG 119 HE ARG 119 -5.668 12.502 0.372 949 HH11 ARG 119 1HH1 ARG 119 -8.925 12.995 1.615 950 HH12 ARG 119 2HH1 ARG 119 -9.159 14.508 0.877 951 HH21 ARG 119 1HH2 ARG 119 -5.956 14.595 -0.661 952 HH22 ARG 119 2HH2 ARG 119 -7.409 15.450 -0.451 953 H ILE 120 H ILE 120 -3.190 7.582 -1.731 954 HA ILE 120 HA ILE 120 -1.061 8.327 0.053 955 HB ILE 120 HB ILE 120 0.394 7.121 -1.574 956 HG12 ILE 120 2HG1 ILE 120 -2.217 6.667 -3.055 957 HG13 ILE 120 1HG1 ILE 120 -0.859 7.620 -3.630 958 HG21 ILE 120 1HG2 ILE 120 -0.613 5.918 0.277 959 HG22 ILE 120 2HG2 ILE 120 -0.547 4.883 -1.153 960 HG23 ILE 120 3HG2 ILE 120 -2.068 5.634 -0.679 961 HD11 ILE 120 3HD1 ILE 120 -0.976 5.468 -4.711 962 HD12 ILE 120 1HD1 ILE 120 -0.910 4.651 -3.163 963 HD13 ILE 120 2HD1 ILE 120 0.500 5.561 -3.739 964 H GLY 121 H GLY 121 0.492 9.840 -0.288 965 HA2 GLY 121 2HA GLY 121 1.659 11.549 -1.363 966 HA3 GLY 121 1HA GLY 121 0.733 11.198 -2.816 967 H CYS 122 H CYS 122 -1.731 11.623 -2.347 968 HA CYS 122 HA CYS 122 -1.858 14.443 -1.857 969 HB2 CYS 122 2HB CYS 122 -3.146 13.473 -3.733 970 HB3 CYS 122 1HB CYS 122 -4.092 12.542 -2.577 971 HG CYS 122 HG CYS 122 -4.035 15.942 -2.796 972 H GLY 123 H GLY 123 -1.241 14.357 0.234 973 HA2 GLY 123 2HA GLY 123 -3.484 14.399 2.074 974 HA3 GLY 123 1HA GLY 123 -2.115 13.361 2.513 975 H LEU 124 H LEU 124 -2.034 16.256 0.678 976 HA LEU 124 HA LEU 124 -0.954 17.980 2.656 977 HB2 LEU 124 2HB LEU 124 0.996 16.484 2.107 978 HB3 LEU 124 1HB LEU 124 0.807 16.915 0.421 979 HG LEU 124 HG LEU 124 1.342 19.279 1.025 980 HD11 LEU 124 1HD1 LEU 124 2.382 19.701 3.203 981 HD12 LEU 124 2HD1 LEU 124 1.953 18.066 3.701 982 HD13 LEU 124 3HD1 LEU 124 0.685 19.241 3.354 983 HD21 LEU 124 3HD2 LEU 124 3.063 17.758 0.158 984 HD22 LEU 124 1HD2 LEU 124 3.423 17.247 1.810 985 HD23 LEU 124 2HD2 LEU 124 3.731 18.907 1.316 986 H ASP 125 H ASP 125 -0.978 20.103 1.704 987 HA ASP 125 HA ASP 125 -2.858 20.535 -0.319 988 HB2 ASP 125 2HB ASP 125 -2.383 22.272 1.299 989 HB3 ASP 125 1HB ASP 125 -0.720 22.390 0.732 990 H ARG 126 H ARG 126 0.563 20.215 -0.486 991 HA ARG 126 HA ARG 126 0.961 21.251 -3.056 992 HB2 ARG 126 2HB ARG 126 2.596 19.514 -1.295 993 HB3 ARG 126 1HB ARG 126 3.051 19.644 -2.982 994 HG2 ARG 126 2HG ARG 126 4.289 21.193 -1.573 995 HG3 ARG 126 1HG ARG 126 3.306 22.043 -2.754 996 HD2 ARG 126 2HD ARG 126 1.663 22.537 -1.009 997 HD3 ARG 126 1HD ARG 126 2.644 21.657 0.169 998 HE ARG 126 HE ARG 126 4.218 23.579 -1.097 999 HH11 ARG 126 1HH1 ARG 126 1.566 23.460 1.264 1000 HH12 ARG 126 2HH1 ARG 126 2.020 24.896 2.044 1001 HH21 ARG 126 1HH2 ARG 126 4.831 25.562 -0.007 1002 HH22 ARG 126 2HH2 ARG 126 3.914 26.096 1.328 1003 H LEU 127 H LEU 127 -0.198 18.027 -2.175 1004 HA LEU 127 HA LEU 127 0.031 17.477 -5.004 1005 HB2 LEU 127 2HB LEU 127 -0.144 15.435 -2.813 1006 HB3 LEU 127 1HB LEU 127 -0.183 15.092 -4.518 1007 HG LEU 127 HG LEU 127 2.076 16.268 -4.603 1008 HD11 LEU 127 1HD1 LEU 127 2.093 17.240 -2.448 1009 HD12 LEU 127 2HD1 LEU 127 3.449 16.118 -2.611 1010 HD13 LEU 127 3HD1 LEU 127 2.016 15.656 -1.680 1011 HD21 LEU 127 3HD2 LEU 127 3.226 14.163 -4.131 1012 HD22 LEU 127 1HD2 LEU 127 1.713 13.959 -5.036 1013 HD23 LEU 127 2HD2 LEU 127 1.760 13.576 -3.315 1014 H GLN 128 H GLN 128 -1.507 16.980 -6.146 1015 HA GLN 128 HA GLN 128 -4.246 16.988 -5.023 1016 HB2 GLN 128 2HB GLN 128 -3.375 17.383 -7.897 1017 HB3 GLN 128 1HB GLN 128 -5.012 17.539 -7.279 1018 HG2 GLN 128 2HG GLN 128 -2.666 19.299 -6.638 1019 HG3 GLN 128 1HG GLN 128 -4.039 19.693 -7.672 1020 HE21 GLN 128 1HE2 GLN 128 -3.073 21.029 -5.282 1021 HE22 GLN 128 2HE2 GLN 128 -4.379 21.041 -4.165 1022 H TRP 129 H TRP 129 -5.587 15.232 -5.464 1023 HA TRP 129 HA TRP 129 -4.198 12.829 -5.981 1024 HB2 TRP 129 2HB TRP 129 -6.080 12.827 -4.419 1025 HB3 TRP 129 1HB TRP 129 -7.188 13.244 -5.723 1026 HD1 TRP 129 HD TRP 129 -8.070 11.295 -7.227 1027 HE1 TRP 129 1HE TRP 129 -7.738 8.763 -7.261 1028 HE3 TRP 129 3HE TRP 129 -4.253 10.958 -3.851 1029 HZ2 TRP 129 2HZ TRP 129 -6.056 6.855 -6.013 1030 HZ3 TRP 129 3HZ TRP 129 -3.344 8.744 -3.331 1031 HH2 TRP 129 HH TRP 129 -4.232 6.728 -4.393 1032 H GLU 130 H GLU 130 -6.181 14.913 -7.909 1033 HA GLU 130 HA GLU 130 -6.670 13.302 -10.141 1034 HB2 GLU 130 2HB GLU 130 -7.622 15.553 -9.793 1035 HB3 GLU 130 1HB GLU 130 -6.040 16.266 -10.029 1036 HG2 GLU 130 2HG GLU 130 -7.407 16.555 -11.999 1037 HG3 GLU 130 1HG GLU 130 -6.052 15.491 -12.353 1038 H ASN 131 H ASN 131 -3.800 15.034 -9.150 1039 HA ASN 131 HA ASN 131 -2.301 14.461 -11.543 1040 HB2 ASN 131 2HB ASN 131 -1.370 15.436 -8.832 1041 HB3 ASN 131 1HB ASN 131 -0.362 15.339 -10.257 1042 HD21 ASN 131 1HD2 ASN 131 -1.105 17.624 -8.641 1043 HD22 ASN 131 2HD2 ASN 131 -1.842 18.756 -9.724 1044 H VAL 132 H VAL 132 -2.706 13.069 -8.386 1045 HA VAL 132 HA VAL 132 -0.517 11.263 -8.535 1046 HB VAL 132 HB VAL 132 -2.971 11.165 -6.751 1047 HG11 VAL 132 1HG1 VAL 132 -1.952 8.962 -6.934 1048 HG12 VAL 132 2HG1 VAL 132 -1.663 9.645 -5.334 1049 HG13 VAL 132 3HG1 VAL 132 -0.374 9.644 -6.539 1050 HG21 VAL 132 3HG2 VAL 132 -1.469 12.066 -5.026 1051 HG22 VAL 132 1HG2 VAL 132 -1.616 13.162 -6.400 1052 HG23 VAL 132 2HG2 VAL 132 -0.174 12.167 -6.218 1053 H SER 133 H SER 133 -4.050 10.823 -9.016 1054 HA SER 133 HA SER 133 -4.092 8.129 -9.483 1055 HB2 SER 133 2HB SER 133 -6.212 8.679 -10.730 1056 HB3 SER 133 1HB SER 133 -6.110 9.364 -9.106 1057 HG SER 133 HG SER 133 -6.556 10.651 -11.336 1058 H ALA 134 H ALA 134 -3.644 10.771 -11.762 1059 HA ALA 134 HA ALA 134 -3.516 9.227 -14.098 1060 HB1 ALA 134 1HB ALA 134 -3.798 11.649 -14.137 1061 HB2 ALA 134 2HB ALA 134 -2.424 11.160 -15.129 1062 HB3 ALA 134 3HB ALA 134 -2.158 11.860 -13.531 1063 H MET 135 H MET 135 -0.959 10.479 -12.043 1064 HA MET 135 HA MET 135 1.232 9.415 -13.371 1065 HB2 MET 135 2HB MET 135 1.420 11.155 -11.676 1066 HB3 MET 135 1HB MET 135 0.881 10.032 -10.444 1067 HG2 MET 135 2HG MET 135 2.900 8.748 -10.660 1068 HG3 MET 135 1HG MET 135 3.425 9.731 -12.021 1069 HE1 MET 135 3HE MET 135 3.060 11.384 -7.734 1070 HE2 MET 135 1HE MET 135 2.661 9.714 -8.154 1071 HE3 MET 135 2HE MET 135 1.652 11.047 -8.738 1072 H ILE 136 H ILE 136 -0.771 7.968 -10.836 1073 HA ILE 136 HA ILE 136 0.721 5.624 -10.468 1074 HB ILE 136 HB ILE 136 -2.275 6.061 -10.216 1075 HG12 ILE 136 2HG1 ILE 136 -0.097 5.944 -8.122 1076 HG13 ILE 136 1HG1 ILE 136 -0.882 7.411 -8.693 1077 HG21 ILE 136 1HG2 ILE 136 -2.336 4.002 -8.865 1078 HG22 ILE 136 2HG2 ILE 136 -0.640 3.713 -9.247 1079 HG23 ILE 136 3HG2 ILE 136 -1.852 3.681 -10.530 1080 HD11 ILE 136 3HD1 ILE 136 -2.228 5.149 -7.224 1081 HD12 ILE 136 1HD1 ILE 136 -3.006 6.626 -7.791 1082 HD13 ILE 136 2HD1 ILE 136 -1.767 6.710 -6.539 1083 H GLU 137 H GLU 137 -1.990 6.283 -12.687 1084 HA GLU 137 HA GLU 137 -1.782 3.740 -13.863 1085 HB2 GLU 137 2HB GLU 137 -3.223 6.205 -14.820 1086 HB3 GLU 137 1HB GLU 137 -3.296 4.654 -15.650 1087 HG2 GLU 137 2HG GLU 137 -4.196 3.629 -13.589 1088 HG3 GLU 137 1HG GLU 137 -4.207 5.220 -12.834 1089 H GLU 138 H GLU 138 -0.194 6.755 -14.579 1090 HA GLU 138 HA GLU 138 0.842 6.069 -17.113 1091 HB2 GLU 138 2HB GLU 138 2.150 7.726 -14.954 1092 HB3 GLU 138 1HB GLU 138 2.671 7.670 -16.625 1093 HG2 GLU 138 2HG GLU 138 0.451 8.641 -17.259 1094 HG3 GLU 138 1HG GLU 138 0.110 8.787 -15.527 1095 H VAL 139 H VAL 139 2.166 5.593 -13.857 1096 HA VAL 139 HA VAL 139 4.505 4.262 -14.742 1097 HB VAL 139 HB VAL 139 3.160 4.120 -12.016 1098 HG11 VAL 139 1HG1 VAL 139 4.713 2.284 -12.431 1099 HG12 VAL 139 2HG1 VAL 139 5.311 3.360 -11.162 1100 HG13 VAL 139 3HG1 VAL 139 5.993 3.427 -12.795 1101 HG21 VAL 139 3HG2 VAL 139 4.807 5.807 -11.343 1102 HG22 VAL 139 1HG2 VAL 139 3.773 6.402 -12.641 1103 HG23 VAL 139 2HG2 VAL 139 5.419 5.872 -12.995 1104 H PHE 140 H PHE 140 1.340 3.132 -13.766 1105 HA PHE 140 HA PHE 140 2.089 0.400 -14.065 1106 HB2 PHE 140 2HB PHE 140 -0.502 1.691 -13.398 1107 HB3 PHE 140 1HB PHE 140 -0.448 0.009 -13.887 1108 HD1 PHE 140 2HD PHE 140 1.210 -1.539 -12.531 1109 HD2 PHE 140 1HD PHE 140 -0.236 2.249 -11.174 1110 HE1 PHE 140 2HE PHE 140 1.613 -2.195 -10.248 1111 HE2 PHE 140 1HE PHE 140 0.205 1.544 -8.858 1112 HZ PHE 140 HZ PHE 140 1.125 -0.748 -8.446 1113 H GLU 141 H GLU 141 1.184 2.669 -16.462 1114 HA GLU 141 HA GLU 141 -0.683 1.217 -17.883 1115 HB2 GLU 141 2HB GLU 141 -0.234 2.571 -19.804 1116 HB3 GLU 141 1HB GLU 141 -0.258 3.553 -18.355 1117 HG2 GLU 141 2HG GLU 141 2.137 3.674 -18.354 1118 HG3 GLU 141 1HG GLU 141 2.216 2.576 -19.732 1119 H ALA 142 H ALA 142 2.756 0.883 -18.103 1120 HA ALA 142 HA ALA 142 2.708 -0.826 -20.395 1121 HB1 ALA 142 1HB ALA 142 5.011 -1.408 -19.840 1122 HB2 ALA 142 2HB ALA 142 4.822 -0.689 -18.242 1123 HB3 ALA 142 3HB ALA 142 4.765 0.332 -19.682 1124 H THR 143 H THR 143 2.293 -1.328 -17.049 1125 HA THR 143 HA THR 143 2.230 -4.243 -17.330 1126 HB THR 143 HB THR 143 2.189 -4.245 -14.830 1127 HG1 THR 143 1HG THR 143 1.515 -1.645 -15.263 1128 HG21 THR 143 3HG2 THR 143 4.318 -2.380 -15.924 1129 HG22 THR 143 1HG2 THR 143 4.404 -4.148 -15.947 1130 HG23 THR 143 2HG2 THR 143 4.417 -3.263 -14.419 1131 H ASP 144 H ASP 144 0.301 -5.007 -15.532 1132 HA ASP 144 HA ASP 144 -2.042 -3.335 -15.852 1133 HB2 ASP 144 2HB ASP 144 -2.228 -4.766 -17.820 1134 HB3 ASP 144 1HB ASP 144 -2.020 -6.202 -16.824 1135 H ILE 145 H ILE 145 -2.181 -2.955 -13.746 1136 HA ILE 145 HA ILE 145 -2.940 -5.181 -12.028 1137 HB ILE 145 HB ILE 145 -0.954 -2.941 -11.209 1138 HG12 ILE 145 2HG1 ILE 145 -0.519 -5.923 -11.477 1139 HG13 ILE 145 1HG1 ILE 145 -0.130 -4.779 -12.742 1140 HG21 ILE 145 1HG2 ILE 145 -2.039 -5.179 -9.579 1141 HG22 ILE 145 2HG2 ILE 145 -2.419 -3.467 -9.414 1142 HG23 ILE 145 3HG2 ILE 145 -0.772 -4.032 -9.140 1143 HD11 ILE 145 3HD1 ILE 145 0.993 -4.683 -9.976 1144 HD12 ILE 145 1HD1 ILE 145 1.428 -3.716 -11.402 1145 HD13 ILE 145 2HD1 ILE 145 1.756 -5.438 -11.394 1146 H LYS 146 H LYS 146 -4.672 -4.662 -10.660 1147 HA LYS 146 HA LYS 146 -6.076 -2.247 -11.357 1148 HB2 LYS 146 2HB LYS 146 -7.134 -4.505 -11.308 1149 HB3 LYS 146 1HB LYS 146 -6.867 -4.505 -9.564 1150 HG2 LYS 146 2HG LYS 146 -8.258 -2.583 -9.311 1151 HG3 LYS 146 1HG LYS 146 -8.458 -2.491 -11.069 1152 HD2 LYS 146 2HD LYS 146 -9.460 -4.703 -11.046 1153 HD3 LYS 146 1HD LYS 146 -9.335 -4.731 -9.280 1154 HE2 LYS 146 2HE LYS 146 -10.795 -2.740 -9.169 1155 HE3 LYS 146 1HE LYS 146 -10.926 -2.756 -10.920 1156 HZ1 LYS 146 3HZ LYS 146 -12.009 -4.901 -10.794 1157 HZ2 LYS 146 1HZ LYS 146 -12.837 -3.749 -9.884 1158 HZ3 LYS 146 2HZ LYS 146 -11.878 -4.896 -9.103 1159 H ILE 147 H ILE 147 -6.662 -0.683 -9.865 1160 HA ILE 147 HA ILE 147 -5.052 -0.678 -7.388 1161 HB ILE 147 HB ILE 147 -6.124 1.743 -8.826 1162 HG12 ILE 147 2HG1 ILE 147 -4.728 0.621 -10.490 1163 HG13 ILE 147 1HG1 ILE 147 -3.926 2.070 -9.917 1164 HG21 ILE 147 1HG2 ILE 147 -5.434 2.082 -6.543 1165 HG22 ILE 147 2HG2 ILE 147 -4.339 2.922 -7.645 1166 HG23 ILE 147 3HG2 ILE 147 -3.848 1.403 -6.901 1167 HD11 ILE 147 3HD1 ILE 147 -3.303 -0.756 -9.100 1168 HD12 ILE 147 1HD1 ILE 147 -2.445 0.697 -8.547 1169 HD13 ILE 147 2HD1 ILE 147 -2.415 0.245 -10.255 1170 H THR 148 H THR 148 -6.439 -0.872 -5.618 1171 HA THR 148 HA THR 148 -9.117 0.287 -5.910 1172 HB THR 148 HB THR 148 -8.194 -1.809 -3.912 1173 HG1 THR 148 1HG THR 148 -8.319 -2.343 -6.236 1174 HG21 THR 148 3HG2 THR 148 -10.945 -0.795 -4.660 1175 HG22 THR 148 1HG2 THR 148 -10.106 -0.457 -3.148 1176 HG23 THR 148 2HG2 THR 148 -10.620 -2.104 -3.519 1177 H VAL 149 H VAL 149 -9.326 2.188 -4.941 1178 HA VAL 149 HA VAL 149 -7.563 2.837 -2.701 1179 HB VAL 149 HB VAL 149 -8.915 4.679 -4.694 1180 HG11 VAL 149 1HG1 VAL 149 -8.785 5.736 -2.475 1181 HG12 VAL 149 2HG1 VAL 149 -7.664 6.495 -3.607 1182 HG13 VAL 149 3HG1 VAL 149 -7.063 5.363 -2.399 1183 HG21 VAL 149 3HG2 VAL 149 -7.016 3.426 -5.550 1184 HG22 VAL 149 1HG2 VAL 149 -6.013 4.042 -4.241 1185 HG23 VAL 149 2HG2 VAL 149 -6.683 5.153 -5.451 1186 H TYR 150 H TYR 150 -8.411 3.311 -0.833 1187 HA TYR 150 HA TYR 150 -11.305 3.376 -0.643 1188 HB2 TYR 150 2HB TYR 150 -9.203 2.855 1.454 1189 HB3 TYR 150 1HB TYR 150 -10.898 3.112 1.850 1190 HD1 TYR 150 1HD TYR 150 -8.516 0.821 0.186 1191 HD2 TYR 150 2HD TYR 150 -12.546 1.441 1.409 1192 HE1 TYR 150 1HE TYR 150 -9.007 -1.545 -0.228 1193 HE2 TYR 150 2HE TYR 150 -13.040 -0.919 0.995 1194 HH TYR 150 HH TYR 150 -10.607 -3.208 0.500 1195 H THR 151 H THR 151 -12.388 5.016 -0.162 1196 HA THR 151 HA THR 151 -11.034 7.516 0.572 1197 HB THR 151 HB THR 151 -12.785 8.662 -0.829 1198 HG1 THR 151 1HG THR 151 -13.767 6.230 -0.914 1199 HG21 THR 151 3HG2 THR 151 -10.513 8.312 -1.703 1200 HG22 THR 151 1HG2 THR 151 -11.710 8.176 -2.992 1201 HG23 THR 151 2HG2 THR 151 -10.989 6.723 -2.301 1202 H LEU 152 H LEU 152 -12.076 8.811 2.056 1203 HA LEU 152 HA LEU 152 -13.438 9.487 3.645 1204 HB2 LEU 152 2HB LEU 152 -15.441 7.767 2.261 1205 HB3 LEU 152 1HB LEU 152 -15.853 8.572 3.768 1206 HG LEU 152 HG LEU 152 -15.358 10.756 2.592 1207 HD11 LEU 152 1HD1 LEU 152 -15.327 9.054 0.115 1208 HD12 LEU 152 2HD1 LEU 152 -13.965 9.951 0.789 1209 HD13 LEU 152 3HD1 LEU 152 -15.368 10.817 0.159 1210 HD21 LEU 152 3HD2 LEU 152 -17.624 10.016 2.938 1211 HD22 LEU 152 1HD2 LEU 152 -17.561 9.041 1.470 1212 HD23 LEU 152 2HD2 LEU 152 -17.482 10.802 1.366 Start of MODEL 11 1 H GLU 1 H GLU 1 -24.832 -6.009 10.978 2 HA GLU 1 HA GLU 1 -24.824 -6.096 8.164 3 HB2 GLU 1 2HB GLU 1 -24.121 -3.841 10.042 4 HB3 GLU 1 1HB GLU 1 -24.494 -3.672 8.328 5 HG2 GLU 1 2HG GLU 1 -26.747 -4.469 8.704 6 HG3 GLU 1 1HG GLU 1 -26.392 -4.759 10.402 7 H ALA 2 H ALA 2 -23.207 -7.186 7.330 8 HA ALA 2 HA ALA 2 -20.580 -5.994 7.198 9 HB1 ALA 2 1HB ALA 2 -19.451 -8.122 7.834 10 HB2 ALA 2 2HB ALA 2 -21.016 -8.786 8.302 11 HB3 ALA 2 3HB ALA 2 -20.343 -7.414 9.178 12 H SER 3 H SER 3 -22.946 -6.550 5.555 13 HA SER 3 HA SER 3 -22.844 -8.829 4.039 14 HB2 SER 3 2HB SER 3 -24.151 -7.391 2.397 15 HB3 SER 3 1HB SER 3 -24.799 -7.520 4.035 16 HG SER 3 HG SER 3 -23.822 -5.346 2.688 17 H SER 4 H SER 4 -21.551 -9.571 2.503 18 HA SER 4 HA SER 4 -19.440 -7.854 1.542 19 HB2 SER 4 2HB SER 4 -18.498 -10.018 0.726 20 HB3 SER 4 1HB SER 4 -18.761 -9.966 2.471 21 HG SER 4 HG SER 4 -20.506 -11.062 0.549 22 H LEU 5 H LEU 5 -20.298 -6.635 -0.043 23 HA LEU 5 HA LEU 5 -21.132 -8.099 -2.430 24 HB2 LEU 5 2HB LEU 5 -22.146 -5.388 -1.539 25 HB3 LEU 5 1HB LEU 5 -22.366 -6.017 -3.147 26 HG LEU 5 HG LEU 5 -23.719 -7.893 -2.120 27 HD11 LEU 5 1HD1 LEU 5 -24.653 -7.560 0.090 28 HD12 LEU 5 2HD1 LEU 5 -23.607 -6.161 0.325 29 HD13 LEU 5 3HD1 LEU 5 -22.902 -7.766 0.155 30 HD21 LEU 5 3HD2 LEU 5 -24.716 -5.076 -1.737 31 HD22 LEU 5 1HD2 LEU 5 -25.719 -6.524 -1.851 32 HD23 LEU 5 2HD2 LEU 5 -24.759 -6.006 -3.233 33 H ASN 6 H ASN 6 -20.206 -4.885 -1.613 34 HA ASN 6 HA ASN 6 -18.893 -3.350 -2.638 35 HB2 ASN 6 2HB ASN 6 -17.127 -4.733 -1.500 36 HB3 ASN 6 1HB ASN 6 -16.985 -5.706 -2.955 37 HD21 ASN 6 1HD2 ASN 6 -15.834 -4.888 -4.701 38 HD22 ASN 6 2HD2 ASN 6 -14.886 -3.454 -4.602 39 H GLU 7 H GLU 7 -20.371 -3.091 -4.248 40 HA GLU 7 HA GLU 7 -20.322 -4.754 -6.559 41 HB2 GLU 7 2HB GLU 7 -21.935 -2.339 -5.897 42 HB3 GLU 7 1HB GLU 7 -22.122 -3.267 -7.379 43 HG2 GLU 7 2HG GLU 7 -22.556 -4.215 -4.574 44 HG3 GLU 7 1HG GLU 7 -23.748 -3.838 -5.846 45 H ASP 8 H ASP 8 -20.728 -3.603 -8.616 46 HA ASP 8 HA ASP 8 -19.913 -2.731 -10.441 47 HB2 ASP 8 2HB ASP 8 -19.187 -0.393 -8.678 48 HB3 ASP 8 1HB ASP 8 -19.176 -0.459 -10.446 49 HA PRO 9 HA PRO 9 -15.731 -4.157 -10.656 50 HB2 PRO 9 2HB PRO 9 -15.446 -3.808 -13.344 51 HB3 PRO 9 1HB PRO 9 -16.313 -5.185 -12.647 52 HG2 PRO 9 2HG PRO 9 -17.385 -2.630 -13.777 53 HG3 PRO 9 1HG PRO 9 -17.981 -4.286 -13.997 54 HD2 PRO 9 2HD PRO 9 -19.136 -2.563 -12.298 55 HD3 PRO 9 1HD PRO 9 -19.049 -4.303 -11.946 56 H GLU 10 H GLU 10 -13.642 -3.288 -11.650 57 HA GLU 10 HA GLU 10 -13.527 -0.540 -10.882 58 HB2 GLU 10 2HB GLU 10 -11.089 -0.667 -11.031 59 HB3 GLU 10 1HB GLU 10 -11.702 -2.041 -10.141 60 HG2 GLU 10 2HG GLU 10 -10.656 -2.017 -12.972 61 HG3 GLU 10 1HG GLU 10 -9.854 -2.683 -11.558 62 H GLY 11 H GLY 11 -12.616 -2.157 -13.804 63 HA2 GLY 11 2HA GLY 11 -12.507 -1.405 -16.038 64 HA3 GLY 11 1HA GLY 11 -13.934 -0.474 -15.615 65 H SER 12 H SER 12 -10.794 0.001 -14.129 66 HA SER 12 HA SER 12 -9.980 2.237 -15.666 67 HB2 SER 12 2HB SER 12 -11.952 3.087 -14.377 68 HB3 SER 12 1HB SER 12 -11.152 2.626 -12.893 69 HG SER 12 HG SER 12 -10.262 4.490 -12.934 70 H ARG 13 H ARG 13 -7.958 3.057 -14.573 71 HA ARG 13 HA ARG 13 -6.494 1.012 -13.232 72 HB2 ARG 13 2HB ARG 13 -5.914 3.962 -13.613 73 HB3 ARG 13 1HB ARG 13 -4.829 2.885 -12.763 74 HG2 ARG 13 2HG ARG 13 -5.698 2.427 -15.596 75 HG3 ARG 13 1HG ARG 13 -4.262 3.355 -15.153 76 HD2 ARG 13 2HD ARG 13 -3.307 1.476 -14.076 77 HD3 ARG 13 1HD ARG 13 -4.709 0.464 -14.294 78 HE ARG 13 HE ARG 13 -3.904 1.378 -16.799 79 HH11 ARG 13 1HH1 ARG 13 -2.596 -0.690 -14.252 80 HH12 ARG 13 2HH1 ARG 13 -1.609 -1.587 -15.362 81 HH21 ARG 13 1HH2 ARG 13 -2.570 0.089 -18.251 82 HH22 ARG 13 2HH2 ARG 13 -1.611 -1.163 -17.601 83 H ILE 14 H ILE 14 -7.477 4.231 -12.104 84 HA ILE 14 HA ILE 14 -7.397 3.196 -9.385 85 HB ILE 14 HB ILE 14 -7.748 6.021 -10.373 86 HG12 ILE 14 2HG1 ILE 14 -5.381 4.680 -9.069 87 HG13 ILE 14 1HG1 ILE 14 -5.489 5.109 -10.780 88 HG21 ILE 14 1HG2 ILE 14 -8.852 5.712 -8.211 89 HG22 ILE 14 2HG2 ILE 14 -7.394 6.680 -8.004 90 HG23 ILE 14 3HG2 ILE 14 -7.389 4.977 -7.558 91 HD11 ILE 14 3HD1 ILE 14 -5.471 6.993 -8.440 92 HD12 ILE 14 1HD1 ILE 14 -5.598 7.460 -10.137 93 HD13 ILE 14 2HD1 ILE 14 -4.135 6.675 -9.545 94 H THR 15 H THR 15 -9.063 2.711 -8.352 95 HA THR 15 HA THR 15 -11.693 3.724 -9.155 96 HB THR 15 HB THR 15 -11.040 0.977 -8.054 97 HG1 THR 15 1HG THR 15 -10.594 1.813 -10.385 98 HG21 THR 15 3HG2 THR 15 -13.298 1.798 -7.460 99 HG22 THR 15 1HG2 THR 15 -13.379 0.459 -8.605 100 HG23 THR 15 2HG2 THR 15 -13.617 2.113 -9.167 101 H TYR 16 H TYR 16 -12.708 4.733 -7.521 102 HA TYR 16 HA TYR 16 -11.425 4.743 -4.897 103 HB2 TYR 16 2HB TYR 16 -13.582 6.550 -6.013 104 HB3 TYR 16 1HB TYR 16 -12.722 6.777 -4.498 105 HD1 TYR 16 2HD TYR 16 -10.322 7.433 -4.533 106 HD2 TYR 16 1HD TYR 16 -12.624 7.191 -8.101 107 HE1 TYR 16 2HE TYR 16 -8.621 8.751 -5.718 108 HE2 TYR 16 1HE TYR 16 -10.934 8.503 -9.294 109 HH TYR 16 HH TYR 16 -9.198 10.095 -8.771 110 H VAL 17 H VAL 17 -12.356 3.814 -3.199 111 HA VAL 17 HA VAL 17 -15.215 3.129 -3.267 112 HB VAL 17 HB VAL 17 -13.027 1.183 -2.435 113 HG11 VAL 17 1HG1 VAL 17 -14.816 -0.472 -2.237 114 HG12 VAL 17 2HG1 VAL 17 -16.000 0.778 -2.610 115 HG13 VAL 17 3HG1 VAL 17 -15.041 0.890 -1.137 116 HG21 VAL 17 3HG2 VAL 17 -13.691 -0.193 -4.339 117 HG22 VAL 17 1HG2 VAL 17 -13.056 1.375 -4.850 118 HG23 VAL 17 2HG2 VAL 17 -14.798 1.074 -4.876 119 H LYS 18 H LYS 18 -16.155 3.393 -1.237 120 HA LYS 18 HA LYS 18 -14.386 4.294 0.860 121 HB2 LYS 18 2HB LYS 18 -16.507 4.843 2.084 122 HB3 LYS 18 1HB LYS 18 -16.376 5.637 0.525 123 HG2 LYS 18 2HG LYS 18 -17.924 4.029 -0.441 124 HG3 LYS 18 1HG LYS 18 -18.036 3.187 1.105 125 HD2 LYS 18 2HD LYS 18 -18.951 5.237 2.113 126 HD3 LYS 18 1HD LYS 18 -18.870 6.037 0.542 127 HE2 LYS 18 2HE LYS 18 -20.411 4.358 -0.383 128 HE3 LYS 18 1HE LYS 18 -20.474 3.569 1.190 129 HZ1 LYS 18 3HZ LYS 18 -21.430 5.583 2.112 130 HZ2 LYS 18 1HZ LYS 18 -22.392 4.961 0.903 131 HZ3 LYS 18 2HZ LYS 18 -21.438 6.326 0.595 132 H GLY 19 H GLY 19 -13.544 2.743 2.209 133 HA2 GLY 19 2HA GLY 19 -15.223 0.600 3.138 134 HA3 GLY 19 1HA GLY 19 -13.983 0.089 2.011 135 H ASP 20 H ASP 20 -13.545 -1.198 3.980 136 HA ASP 20 HA ASP 20 -12.368 0.107 6.248 137 HB2 ASP 20 2HB ASP 20 -13.716 -1.931 6.499 138 HB3 ASP 20 1HB ASP 20 -12.537 -2.821 5.550 139 H LEU 21 H LEU 21 -11.274 -1.613 3.538 140 HA LEU 21 HA LEU 21 -9.282 -1.907 2.535 141 HB2 LEU 21 2HB LEU 21 -8.969 0.412 2.566 142 HB3 LEU 21 1HB LEU 21 -8.549 0.425 4.257 143 HG LEU 21 HG LEU 21 -6.719 -1.010 2.374 144 HD11 LEU 21 1HD1 LEU 21 -7.264 1.051 1.297 145 HD12 LEU 21 2HD1 LEU 21 -5.604 1.117 1.942 146 HD13 LEU 21 3HD1 LEU 21 -6.933 1.966 2.768 147 HD21 LEU 21 3HD2 LEU 21 -6.382 -1.046 4.759 148 HD22 LEU 21 1HD2 LEU 21 -6.421 0.711 4.800 149 HD23 LEU 21 2HD2 LEU 21 -5.084 -0.085 3.977 150 H PHE 22 H PHE 22 -9.011 -2.056 6.016 151 HA PHE 22 HA PHE 22 -6.688 -3.725 5.902 152 HB2 PHE 22 2HB PHE 22 -8.619 -3.130 8.150 153 HB3 PHE 22 1HB PHE 22 -7.193 -4.147 8.346 154 HD1 PHE 22 2HD PHE 22 -8.291 -0.709 7.432 155 HD2 PHE 22 1HD PHE 22 -5.100 -3.172 8.815 156 HE1 PHE 22 2HE PHE 22 -6.928 1.269 7.839 157 HE2 PHE 22 1HE PHE 22 -3.750 -1.184 9.219 158 HZ PHE 22 HZ PHE 22 -4.657 1.032 8.730 159 H ALA 23 H ALA 23 -10.122 -4.212 6.210 160 HA ALA 23 HA ALA 23 -9.832 -7.093 6.398 161 HB1 ALA 23 1HB ALA 23 -11.543 -5.903 7.696 162 HB2 ALA 23 2HB ALA 23 -12.232 -7.127 6.631 163 HB3 ALA 23 3HB ALA 23 -12.329 -5.421 6.192 164 H CYS 24 H CYS 24 -9.268 -5.367 3.859 165 HA CYS 24 HA CYS 24 -11.065 -6.317 1.878 166 HB2 CYS 24 2HB CYS 24 -8.271 -5.200 1.633 167 HB3 CYS 24 1HB CYS 24 -9.292 -5.563 0.250 168 HG CYS 24 HG CYS 24 -11.352 -3.787 1.484 169 HA PRO 25 HA PRO 25 -9.958 -10.424 0.694 170 HB2 PRO 25 2HB PRO 25 -9.191 -9.330 -1.974 171 HB3 PRO 25 1HB PRO 25 -10.241 -10.697 -1.587 172 HG2 PRO 25 2HG PRO 25 -11.337 -8.426 -2.305 173 HG3 PRO 25 1HG PRO 25 -12.007 -9.312 -0.920 174 HD2 PRO 25 2HD PRO 25 -10.260 -6.896 -0.962 175 HD3 PRO 25 1HD PRO 25 -11.650 -7.260 0.080 176 H LYS 26 H LYS 26 -8.313 -11.839 0.300 177 HA LYS 26 HA LYS 26 -5.711 -10.998 1.105 178 HB2 LYS 26 2HB LYS 26 -5.057 -13.315 1.060 179 HB3 LYS 26 1HB LYS 26 -6.655 -13.192 1.767 180 HG2 LYS 26 2HG LYS 26 -6.047 -14.096 -1.063 181 HG3 LYS 26 1HG LYS 26 -6.384 -15.163 0.291 182 HD2 LYS 26 2HD LYS 26 -8.641 -14.186 0.460 183 HD3 LYS 26 1HD LYS 26 -8.264 -13.132 -0.905 184 HE2 LYS 26 2HE LYS 26 -7.940 -15.090 -2.329 185 HE3 LYS 26 1HE LYS 26 -8.325 -16.145 -0.969 186 HZ1 LYS 26 3HZ LYS 26 -10.534 -15.112 -0.888 187 HZ2 LYS 26 1HZ LYS 26 -10.268 -15.834 -2.377 188 HZ3 LYS 26 2HZ LYS 26 -10.161 -14.161 -2.202 189 H THR 27 H THR 27 -7.131 -11.251 -1.990 190 HA THR 27 HA THR 27 -4.704 -11.809 -3.427 191 HB THR 27 HB THR 27 -6.273 -11.209 -5.330 192 HG1 THR 27 1HG THR 27 -7.844 -10.024 -4.156 193 HG21 THR 27 3HG2 THR 27 -7.482 -13.375 -5.109 194 HG22 THR 27 1HG2 THR 27 -6.977 -13.442 -3.423 195 HG23 THR 27 2HG2 THR 27 -5.766 -13.523 -4.698 196 H ASP 28 H ASP 28 -6.269 -9.188 -2.094 197 HA ASP 28 HA ASP 28 -5.143 -7.275 -3.974 198 HB2 ASP 28 2HB ASP 28 -7.184 -6.940 -1.756 199 HB3 ASP 28 1HB ASP 28 -6.603 -5.644 -2.793 200 H SER 29 H SER 29 -3.122 -6.780 -3.456 201 HA SER 29 HA SER 29 -2.307 -6.917 -0.712 202 HB2 SER 29 2HB SER 29 -0.786 -6.086 -3.200 203 HB3 SER 29 1HB SER 29 -0.073 -6.278 -1.590 204 HG SER 29 HG SER 29 -1.523 -8.324 -2.882 205 H LEU 30 H LEU 30 -1.076 -4.921 0.213 206 HA LEU 30 HA LEU 30 -2.924 -2.684 -0.311 207 HB2 LEU 30 2HB LEU 30 -3.226 -4.256 1.718 208 HB3 LEU 30 1HB LEU 30 -1.800 -3.483 2.345 209 HG LEU 30 HG LEU 30 -4.421 -2.124 1.742 210 HD11 LEU 30 1HD1 LEU 30 -4.617 -3.651 3.529 211 HD12 LEU 30 2HD1 LEU 30 -4.613 -2.017 4.185 212 HD13 LEU 30 3HD1 LEU 30 -3.164 -3.024 4.307 213 HD21 LEU 30 3HD2 LEU 30 -1.915 -1.088 3.075 214 HD22 LEU 30 1HD2 LEU 30 -3.446 -0.196 2.985 215 HD23 LEU 30 2HD2 LEU 30 -2.573 -0.600 1.511 216 H ALA 31 H ALA 31 -1.962 -0.680 -0.264 217 HA ALA 31 HA ALA 31 0.900 -0.520 0.338 218 HB1 ALA 31 1HB ALA 31 -0.370 0.480 -2.205 219 HB2 ALA 31 2HB ALA 31 0.664 -0.940 -2.058 220 HB3 ALA 31 3HB ALA 31 1.324 0.660 -1.739 221 H HIS 32 H HIS 32 1.645 1.602 0.801 222 HA HIS 32 HA HIS 32 0.103 3.915 0.578 223 HB2 HIS 32 2HB HIS 32 -0.182 4.440 3.057 224 HB3 HIS 32 1HB HIS 32 -1.267 3.210 2.428 225 HD1 HIS 32 1HD HIS 32 1.613 3.710 4.755 226 HD2 HIS 32 2HD HIS 32 -0.991 0.707 3.552 227 HE1 HIS 32 1HE HIS 32 2.059 1.790 6.298 228 HE2 HIS 32 2HE HIS 32 0.634 -0.086 5.419 229 H CYS 33 H CYS 33 1.179 5.797 1.994 230 HA CYS 33 HA CYS 33 4.017 5.550 1.327 231 HB2 CYS 33 2HB CYS 33 3.891 8.038 1.361 232 HB3 CYS 33 1HB CYS 33 2.865 7.271 0.152 233 HG CYS 33 HG CYS 33 1.392 9.372 1.047 234 H ILE 34 H ILE 34 5.596 5.790 2.799 235 HA ILE 34 HA ILE 34 4.965 6.802 5.462 236 HB ILE 34 HB ILE 34 6.342 5.105 6.566 237 HG12 ILE 34 2HG1 ILE 34 6.444 3.617 3.947 238 HG13 ILE 34 1HG1 ILE 34 7.746 4.635 4.555 239 HG21 ILE 34 1HG2 ILE 34 3.949 4.735 6.423 240 HG22 ILE 34 2HG2 ILE 34 4.861 3.248 6.493 241 HG23 ILE 34 3HG2 ILE 34 4.175 3.787 4.947 242 HD11 ILE 34 3HD1 ILE 34 6.651 2.202 5.962 243 HD12 ILE 34 1HD1 ILE 34 7.968 3.228 6.517 244 HD13 ILE 34 2HD1 ILE 34 8.158 2.279 5.046 245 H SER 35 H SER 35 7.126 7.116 6.722 246 HA SER 35 HA SER 35 8.854 8.500 4.910 247 HB2 SER 35 2HB SER 35 9.800 9.429 6.929 248 HB3 SER 35 1HB SER 35 8.066 9.668 6.838 249 HG SER 35 HG SER 35 9.416 8.487 8.804 250 H GLU 36 H GLU 36 11.216 8.287 5.248 251 HA GLU 36 HA GLU 36 11.878 5.542 5.019 252 HB2 GLU 36 2HB GLU 36 14.133 6.262 4.414 253 HB3 GLU 36 1HB GLU 36 12.917 7.214 3.603 254 HG2 GLU 36 2HG GLU 36 13.347 9.009 5.265 255 HG3 GLU 36 1HG GLU 36 14.597 7.990 5.914 256 H ASP 37 H ASP 37 11.851 7.660 7.630 257 HA ASP 37 HA ASP 37 13.627 5.930 9.166 258 HB2 ASP 37 2HB ASP 37 13.402 7.575 10.981 259 HB3 ASP 37 1HB ASP 37 13.995 8.298 9.501 260 H CYS 38 H CYS 38 10.394 6.182 8.445 261 HA CYS 38 HA CYS 38 8.575 5.047 9.048 262 HB2 CYS 38 2HB CYS 38 10.522 3.349 10.606 263 HB3 CYS 38 1HB CYS 38 8.830 2.936 10.334 264 HG CYS 38 HG CYS 38 9.617 3.547 7.473 265 H ARG 39 H ARG 39 9.744 7.212 10.835 266 HA ARG 39 HA ARG 39 8.672 6.714 13.439 267 HB2 ARG 39 2HB ARG 39 9.580 9.245 12.128 268 HB3 ARG 39 1HB ARG 39 9.154 9.083 13.830 269 HG2 ARG 39 2HG ARG 39 10.909 7.405 14.091 270 HG3 ARG 39 1HG ARG 39 11.356 7.638 12.400 271 HD2 ARG 39 2HD ARG 39 11.751 9.996 12.872 272 HD3 ARG 39 1HD ARG 39 11.365 9.678 14.566 273 HE ARG 39 HE ARG 39 13.365 7.923 13.718 274 HH11 ARG 39 1HH1 ARG 39 12.896 11.323 14.485 275 HH12 ARG 39 2HH1 ARG 39 14.490 11.642 14.943 276 HH21 ARG 39 1HH2 ARG 39 15.638 8.335 14.314 277 HH22 ARG 39 2HH2 ARG 39 16.092 9.882 14.845 278 H MET 40 H MET 40 6.685 6.414 11.274 279 HA MET 40 HA MET 40 4.971 8.602 10.985 280 HB2 MET 40 2HB MET 40 4.125 5.692 11.023 281 HB3 MET 40 1HB MET 40 3.135 7.019 10.480 282 HG2 MET 40 2HG MET 40 3.937 5.982 8.527 283 HG3 MET 40 1HG MET 40 4.887 7.448 8.709 284 HE1 MET 40 3HE MET 40 4.893 3.470 9.028 285 HE2 MET 40 1HE MET 40 5.264 3.990 10.672 286 HE3 MET 40 2HE MET 40 6.494 3.203 9.712 287 H GLY 41 H GLY 41 4.215 9.767 12.561 288 HA2 GLY 41 2HA GLY 41 3.153 8.495 14.974 289 HA3 GLY 41 1HA GLY 41 3.475 10.214 14.758 290 H ALA 42 H ALA 42 2.195 9.763 12.014 291 HA ALA 42 HA ALA 42 -0.617 9.485 12.696 292 HB1 ALA 42 1HB ALA 42 0.530 11.876 11.236 293 HB2 ALA 42 2HB ALA 42 -0.181 11.907 12.851 294 HB3 ALA 42 3HB ALA 42 -1.184 11.528 11.456 295 H GLY 43 H GLY 43 -1.906 9.246 10.727 296 HA2 GLY 43 2HA GLY 43 -1.930 8.909 8.352 297 HA3 GLY 43 1HA GLY 43 -0.294 8.265 8.491 298 H ILE 44 H ILE 44 -2.180 6.799 7.255 299 HA ILE 44 HA ILE 44 -3.597 5.016 8.913 300 HB ILE 44 HB ILE 44 -4.093 5.381 6.515 301 HG12 ILE 44 2HG1 ILE 44 -3.456 2.498 7.114 302 HG13 ILE 44 1HG1 ILE 44 -4.876 3.337 7.733 303 HG21 ILE 44 1HG2 ILE 44 -1.580 3.778 6.059 304 HG22 ILE 44 2HG2 ILE 44 -1.836 5.468 5.636 305 HG23 ILE 44 3HG2 ILE 44 -2.742 4.199 4.804 306 HD11 ILE 44 3HD1 ILE 44 -5.428 1.989 5.873 307 HD12 ILE 44 1HD1 ILE 44 -4.194 2.780 4.873 308 HD13 ILE 44 2HD1 ILE 44 -5.587 3.707 5.456 309 H ALA 45 H ALA 45 -0.287 5.214 8.131 310 HA ALA 45 HA ALA 45 0.515 2.523 8.408 311 HB1 ALA 45 1HB ALA 45 1.972 4.208 7.401 312 HB2 ALA 45 2HB ALA 45 2.767 3.389 8.734 313 HB3 ALA 45 3HB ALA 45 2.120 5.008 8.971 314 H VAL 46 H VAL 46 -0.391 4.893 10.771 315 HA VAL 46 HA VAL 46 0.979 3.783 12.973 316 HB VAL 46 HB VAL 46 -1.592 5.439 12.961 317 HG11 VAL 46 1HG1 VAL 46 0.324 4.875 15.232 318 HG12 VAL 46 2HG1 VAL 46 -1.300 4.213 15.080 319 HG13 VAL 46 3HG1 VAL 46 -1.075 5.947 15.296 320 HG21 VAL 46 3HG2 VAL 46 -0.110 7.299 13.487 321 HG22 VAL 46 1HG2 VAL 46 0.290 6.576 11.933 322 HG23 VAL 46 2HG2 VAL 46 1.285 6.231 13.346 323 H LEU 47 H LEU 47 -2.052 3.043 11.447 324 HA LEU 47 HA LEU 47 -2.997 1.144 13.324 325 HB2 LEU 47 2HB LEU 47 -3.532 1.720 10.445 326 HB3 LEU 47 1HB LEU 47 -4.235 0.306 11.199 327 HG LEU 47 HG LEU 47 -4.663 3.051 12.380 328 HD11 LEU 47 1HD1 LEU 47 -5.439 3.094 10.026 329 HD12 LEU 47 2HD1 LEU 47 -6.781 3.132 11.168 330 HD13 LEU 47 3HD1 LEU 47 -6.378 1.632 10.330 331 HD21 LEU 47 3HD2 LEU 47 -6.131 0.452 12.431 332 HD22 LEU 47 1HD2 LEU 47 -6.629 1.908 13.297 333 HD23 LEU 47 2HD2 LEU 47 -5.122 1.077 13.741 334 H PHE 48 H PHE 48 -1.047 0.865 10.430 335 HA PHE 48 HA PHE 48 -0.782 -1.940 10.453 336 HB2 PHE 48 2HB PHE 48 0.913 0.216 9.215 337 HB3 PHE 48 1HB PHE 48 1.287 -1.492 9.029 338 HD1 PHE 48 2HD PHE 48 -1.345 1.052 8.411 339 HD2 PHE 48 1HD PHE 48 0.216 -2.768 7.438 340 HE1 PHE 48 2HE PHE 48 -2.908 0.874 6.499 341 HE2 PHE 48 1HE PHE 48 -1.342 -2.926 5.553 342 HZ PHE 48 HZ PHE 48 -2.898 -1.089 5.103 343 H LYS 49 H LYS 49 0.920 0.573 12.127 344 HA LYS 49 HA LYS 49 3.154 -0.843 12.908 345 HB2 LYS 49 2HB LYS 49 2.951 1.567 13.117 346 HB3 LYS 49 1HB LYS 49 1.725 1.370 14.355 347 HG2 LYS 49 2HG LYS 49 3.250 0.635 15.936 348 HG3 LYS 49 1HG LYS 49 4.441 0.189 14.709 349 HD2 LYS 49 2HD LYS 49 5.183 2.212 15.812 350 HD3 LYS 49 1HD LYS 49 4.698 2.477 14.128 351 HE2 LYS 49 2HE LYS 49 2.599 3.458 14.832 352 HE3 LYS 49 1HE LYS 49 2.973 3.116 16.521 353 HZ1 LYS 49 3HZ LYS 49 3.426 5.443 15.948 354 HZ2 LYS 49 1HZ LYS 49 4.543 4.965 14.778 355 HZ3 LYS 49 2HZ LYS 49 4.830 4.642 16.393 356 H LYS 50 H LYS 50 -0.027 -0.613 14.635 357 HA LYS 50 HA LYS 50 0.919 -2.431 16.579 358 HB2 LYS 50 2HB LYS 50 -1.911 -1.608 16.004 359 HB3 LYS 50 1HB LYS 50 -1.430 -2.681 17.292 360 HG2 LYS 50 2HG LYS 50 -1.601 -0.702 18.406 361 HG3 LYS 50 1HG LYS 50 0.108 -0.739 18.020 362 HD2 LYS 50 2HD LYS 50 -0.748 1.473 17.567 363 HD3 LYS 50 1HD LYS 50 -0.350 0.687 16.039 364 HE2 LYS 50 2HE LYS 50 -2.643 0.155 15.632 365 HE3 LYS 50 1HE LYS 50 -3.126 0.745 17.228 366 HZ1 LYS 50 3HZ LYS 50 -2.445 2.954 16.516 367 HZ2 LYS 50 1HZ LYS 50 -3.622 2.350 15.503 368 HZ3 LYS 50 2HZ LYS 50 -2.011 2.351 15.000 369 H LYS 51 H LYS 51 -1.074 -2.752 13.680 370 HA LYS 51 HA LYS 51 -1.876 -5.367 14.243 371 HB2 LYS 51 2HB LYS 51 -1.939 -3.772 11.743 372 HB3 LYS 51 1HB LYS 51 -2.534 -5.423 11.833 373 HG2 LYS 51 2HG LYS 51 -4.062 -4.761 13.624 374 HG3 LYS 51 1HG LYS 51 -3.478 -3.103 13.472 375 HD2 LYS 51 2HD LYS 51 -4.239 -2.956 11.260 376 HD3 LYS 51 1HD LYS 51 -4.680 -4.668 11.222 377 HE2 LYS 51 2HE LYS 51 -5.930 -2.575 13.014 378 HE3 LYS 51 1HE LYS 51 -6.664 -3.236 11.551 379 HZ1 LYS 51 3HZ LYS 51 -6.589 -5.428 12.572 380 HZ2 LYS 51 1HZ LYS 51 -7.532 -4.392 13.477 381 HZ3 LYS 51 2HZ LYS 51 -5.973 -4.798 13.995 382 H PHE 52 H PHE 52 0.753 -4.211 12.140 383 HA PHE 52 HA PHE 52 1.328 -7.042 11.647 384 HB2 PHE 52 2HB PHE 52 2.243 -4.585 10.155 385 HB3 PHE 52 1HB PHE 52 2.735 -6.232 9.770 386 HD1 PHE 52 1HD PHE 52 -0.064 -3.862 9.789 387 HD2 PHE 52 2HD PHE 52 1.255 -7.730 8.660 388 HE1 PHE 52 1HE PHE 52 -2.058 -4.124 8.377 389 HE2 PHE 52 2HE PHE 52 -0.728 -8.004 7.252 390 HZ PHE 52 HZ PHE 52 -2.399 -6.200 7.109 391 H GLY 53 H GLY 53 2.557 -4.173 13.153 392 HA2 GLY 53 2HA GLY 53 4.524 -3.680 14.232 393 HA3 GLY 53 1HA GLY 53 4.439 -5.354 14.755 394 H GLY 54 H GLY 54 5.172 -3.711 11.682 395 HA2 GLY 54 2HA GLY 54 7.494 -5.529 11.458 396 HA3 GLY 54 1HA GLY 54 6.539 -4.992 10.090 397 H VAL 55 H VAL 55 7.383 -2.789 12.632 398 HA VAL 55 HA VAL 55 8.471 -0.971 10.786 399 HB VAL 55 HB VAL 55 8.556 -0.926 13.821 400 HG11 VAL 55 1HG1 VAL 55 9.048 1.459 13.607 401 HG12 VAL 55 2HG1 VAL 55 9.122 1.287 11.848 402 HG13 VAL 55 3HG1 VAL 55 10.317 0.477 12.865 403 HG21 VAL 55 3HG2 VAL 55 6.709 0.659 13.607 404 HG22 VAL 55 1HG2 VAL 55 6.300 -0.887 12.863 405 HG23 VAL 55 2HG2 VAL 55 6.754 0.495 11.856 406 H GLN 56 H GLN 56 10.042 -3.268 13.056 407 HA GLN 56 HA GLN 56 12.643 -2.293 12.588 408 HB2 GLN 56 2HB GLN 56 11.631 -4.953 13.592 409 HB3 GLN 56 1HB GLN 56 13.314 -4.527 13.474 410 HG2 GLN 56 2HG GLN 56 12.564 -4.323 15.768 411 HG3 GLN 56 1HG GLN 56 12.983 -2.739 15.138 412 HE21 GLN 56 1HE2 GLN 56 11.362 -1.215 14.881 413 HE22 GLN 56 2HE2 GLN 56 9.789 -1.405 15.565 414 H GLU 57 H GLU 57 10.687 -4.762 11.057 415 HA GLU 57 HA GLU 57 12.665 -5.679 9.369 416 HB2 GLU 57 2HB GLU 57 9.706 -5.576 8.991 417 HB3 GLU 57 1HB GLU 57 10.802 -6.403 7.898 418 HG2 GLU 57 2HG GLU 57 9.995 -8.019 9.277 419 HG3 GLU 57 1HG GLU 57 11.607 -7.703 9.877 420 H LEU 58 H LEU 58 10.387 -3.031 9.084 421 HA LEU 58 HA LEU 58 10.998 -2.265 6.438 422 HB2 LEU 58 2HB LEU 58 10.048 -0.545 8.720 423 HB3 LEU 58 1HB LEU 58 10.029 -0.089 7.031 424 HG LEU 58 HG LEU 58 8.409 -2.294 8.292 425 HD11 LEU 58 1HD1 LEU 58 7.638 -0.075 8.905 426 HD12 LEU 58 2HD1 LEU 58 6.503 -0.851 7.799 427 HD13 LEU 58 3HD1 LEU 58 7.603 0.393 7.205 428 HD21 LEU 58 3HD2 LEU 58 8.449 -1.275 5.454 429 HD22 LEU 58 1HD2 LEU 58 7.302 -2.440 6.110 430 HD23 LEU 58 2HD2 LEU 58 9.008 -2.858 6.004 431 H LEU 59 H LEU 59 12.344 -1.239 9.546 432 HA LEU 59 HA LEU 59 14.118 0.605 8.311 433 HB2 LEU 59 2HB LEU 59 13.975 -0.435 11.115 434 HB3 LEU 59 1HB LEU 59 15.225 0.679 10.598 435 HG LEU 59 HG LEU 59 12.252 1.259 10.525 436 HD11 LEU 59 1HD1 LEU 59 13.094 1.139 12.802 437 HD12 LEU 59 2HD1 LEU 59 12.743 2.812 12.338 438 HD13 LEU 59 3HD1 LEU 59 14.409 2.241 12.385 439 HD21 LEU 59 3HD2 LEU 59 14.649 3.004 9.985 440 HD22 LEU 59 1HD2 LEU 59 12.975 3.552 10.068 441 HD23 LEU 59 2HD2 LEU 59 13.483 2.452 8.788 442 H ASN 60 H ASN 60 14.610 -2.642 9.619 443 HA ASN 60 HA ASN 60 17.378 -2.545 9.086 444 HB2 ASN 60 2HB ASN 60 15.615 -4.909 9.666 445 HB3 ASN 60 1HB ASN 60 17.331 -5.093 9.311 446 HD21 ASN 60 1HD2 ASN 60 14.999 -3.901 11.582 447 HD22 ASN 60 2HD2 ASN 60 16.087 -3.661 12.890 448 H GLN 61 H GLN 61 14.808 -3.189 6.893 449 HA GLN 61 HA GLN 61 16.517 -4.441 4.956 450 HB2 GLN 61 2HB GLN 61 13.862 -3.038 4.551 451 HB3 GLN 61 1HB GLN 61 14.728 -3.890 3.285 452 HG2 GLN 61 2HG GLN 61 14.538 -5.968 4.614 453 HG3 GLN 61 1HG GLN 61 13.575 -5.083 5.796 454 HE21 GLN 61 1HE2 GLN 61 11.457 -4.433 5.218 455 HE22 GLN 61 2HE2 GLN 61 10.645 -5.150 3.878 456 H GLN 62 H GLN 62 16.129 -1.280 6.043 457 HA GLN 62 HA GLN 62 16.796 0.694 5.502 458 HB2 GLN 62 2HB GLN 62 19.034 -0.781 4.148 459 HB3 GLN 62 1HB GLN 62 18.994 0.950 4.491 460 HG2 GLN 62 2HG GLN 62 18.709 0.493 6.825 461 HG3 GLN 62 1HG GLN 62 18.823 -1.238 6.524 462 HE21 GLN 62 1HE2 GLN 62 20.485 0.404 8.196 463 HE22 GLN 62 2HE2 GLN 62 22.101 0.284 7.618 464 H LYS 63 H LYS 63 15.348 1.719 4.458 465 HA LYS 63 HA LYS 63 15.563 1.751 1.577 466 HB2 LYS 63 2HB LYS 63 13.063 2.284 1.723 467 HB3 LYS 63 1HB LYS 63 13.565 0.616 1.880 468 HG2 LYS 63 2HG LYS 63 11.845 1.213 3.448 469 HG3 LYS 63 1HG LYS 63 13.356 0.742 4.267 470 HD2 LYS 63 2HD LYS 63 13.883 3.030 4.630 471 HD3 LYS 63 1HD LYS 63 12.481 3.554 3.723 472 HE2 LYS 63 2HE LYS 63 11.965 3.766 6.076 473 HE3 LYS 63 1HE LYS 63 11.088 2.355 5.489 474 HZ1 LYS 63 3HZ LYS 63 13.663 2.338 6.924 475 HZ2 LYS 63 1HZ LYS 63 12.844 0.949 6.408 476 HZ3 LYS 63 2HZ LYS 63 12.157 1.967 7.582 477 H LYS 64 H LYS 64 14.891 3.636 0.613 478 HA LYS 64 HA LYS 64 15.163 6.038 2.268 479 HB2 LYS 64 2HB LYS 64 16.526 5.432 -0.291 480 HB3 LYS 64 1HB LYS 64 16.534 7.003 0.501 481 HG2 LYS 64 2HG LYS 64 17.572 5.991 2.490 482 HG3 LYS 64 1HG LYS 64 17.629 4.442 1.641 483 HD2 LYS 64 2HD LYS 64 18.892 5.456 -0.081 484 HD3 LYS 64 1HD LYS 64 18.836 6.985 0.840 485 HE2 LYS 64 2HE LYS 64 20.060 5.953 2.691 486 HE3 LYS 64 1HE LYS 64 20.058 4.400 1.858 487 HZ1 LYS 64 3HZ LYS 64 21.488 6.843 0.930 488 HZ2 LYS 64 1HZ LYS 64 21.477 5.352 0.160 489 HZ3 LYS 64 2HZ LYS 64 22.194 5.507 1.667 490 H SER 65 H SER 65 14.590 7.976 0.919 491 HA SER 65 HA SER 65 12.005 7.984 -0.024 492 HB2 SER 65 2HB SER 65 14.256 9.754 -0.958 493 HB3 SER 65 1HB SER 65 12.535 10.137 -1.007 494 HG SER 65 HG SER 65 13.642 9.481 1.516 495 H GLY 66 H GLY 66 11.087 7.042 -1.781 496 HA2 GLY 66 2HA GLY 66 10.875 6.887 -4.149 497 HA3 GLY 66 1HA GLY 66 12.623 7.011 -4.274 498 H GLU 67 H GLU 67 12.050 4.927 -1.792 499 HA GLU 67 HA GLU 67 12.087 2.610 -3.570 500 HB2 GLU 67 2HB GLU 67 13.312 2.937 -0.826 501 HB3 GLU 67 1HB GLU 67 13.262 1.437 -1.731 502 HG2 GLU 67 2HG GLU 67 14.633 2.524 -3.490 503 HG3 GLU 67 1HG GLU 67 14.756 3.942 -2.445 504 H VAL 68 H VAL 68 11.212 0.683 -2.546 505 HA VAL 68 HA VAL 68 8.955 1.367 -0.794 506 HB VAL 68 HB VAL 68 8.271 0.800 -3.159 507 HG11 VAL 68 1HG1 VAL 68 9.965 -0.862 -3.665 508 HG12 VAL 68 2HG1 VAL 68 8.346 -1.523 -3.911 509 HG13 VAL 68 3HG1 VAL 68 9.273 -1.955 -2.473 510 HG21 VAL 68 3HG2 VAL 68 6.482 -0.667 -2.591 511 HG22 VAL 68 1HG2 VAL 68 6.732 0.492 -1.285 512 HG23 VAL 68 2HG2 VAL 68 7.304 -1.178 -1.107 513 H ALA 69 H ALA 69 8.566 0.025 0.872 514 HA ALA 69 HA ALA 69 10.392 -2.231 1.239 515 HB1 ALA 69 1HB ALA 69 10.654 -0.519 2.961 516 HB2 ALA 69 2HB ALA 69 9.948 -1.973 3.668 517 HB3 ALA 69 3HB ALA 69 8.931 -0.574 3.319 518 H VAL 70 H VAL 70 9.451 -4.230 1.761 519 HA VAL 70 HA VAL 70 6.531 -4.287 1.362 520 HB VAL 70 HB VAL 70 8.495 -6.352 0.333 521 HG11 VAL 70 1HG1 VAL 70 5.552 -6.022 -0.196 522 HG12 VAL 70 2HG1 VAL 70 6.317 -7.284 0.775 523 HG13 VAL 70 3HG1 VAL 70 6.616 -7.199 -0.964 524 HG21 VAL 70 3HG2 VAL 70 7.077 -4.199 -1.253 525 HG22 VAL 70 1HG2 VAL 70 8.046 -5.507 -1.931 526 HG23 VAL 70 2HG2 VAL 70 8.811 -4.278 -0.927 527 H LEU 71 H LEU 71 5.395 -5.658 2.634 528 HA LEU 71 HA LEU 71 6.866 -7.532 4.357 529 HB2 LEU 71 2HB LEU 71 4.404 -5.954 5.144 530 HB3 LEU 71 1HB LEU 71 5.111 -7.224 6.082 531 HG LEU 71 HG LEU 71 6.381 -4.540 5.513 532 HD11 LEU 71 1HD1 LEU 71 6.129 -4.193 7.912 533 HD12 LEU 71 2HD1 LEU 71 5.361 -5.772 8.065 534 HD13 LEU 71 3HD1 LEU 71 4.564 -4.497 7.153 535 HD21 LEU 71 3HD2 LEU 71 8.108 -6.268 5.599 536 HD22 LEU 71 1HD2 LEU 71 7.443 -6.870 7.121 537 HD23 LEU 71 2HD2 LEU 71 8.158 -5.257 7.040 538 H LYS 72 H LYS 72 6.023 -9.513 4.541 539 HA LYS 72 HA LYS 72 3.558 -10.163 3.075 540 HB2 LYS 72 2HB LYS 72 5.506 -11.324 2.258 541 HB3 LYS 72 1HB LYS 72 5.945 -11.808 3.896 542 HG2 LYS 72 2HG LYS 72 5.058 -13.726 2.792 543 HG3 LYS 72 1HG LYS 72 3.853 -13.177 3.940 544 HD2 LYS 72 2HD LYS 72 2.575 -12.146 2.141 545 HD3 LYS 72 1HD LYS 72 3.825 -12.598 0.975 546 HE2 LYS 72 2HE LYS 72 3.455 -14.980 1.605 547 HE3 LYS 72 1HE LYS 72 2.103 -14.458 2.600 548 HZ1 LYS 72 3HZ LYS 72 1.028 -13.610 0.461 549 HZ2 LYS 72 1HZ LYS 72 1.359 -15.263 0.498 550 HZ3 LYS 72 2HZ LYS 72 2.347 -14.278 -0.354 551 H ARG 73 H ARG 73 1.977 -11.039 4.277 552 HA ARG 73 HA ARG 73 2.622 -11.421 7.126 553 HB2 ARG 73 2HB ARG 73 1.236 -9.423 6.800 554 HB3 ARG 73 1HB ARG 73 -0.001 -10.393 6.023 555 HG2 ARG 73 2HG ARG 73 -0.627 -9.868 8.309 556 HG3 ARG 73 1HG ARG 73 -0.355 -11.603 8.133 557 HD2 ARG 73 2HD ARG 73 1.823 -11.411 9.142 558 HD3 ARG 73 1HD ARG 73 1.692 -9.658 9.210 559 HE ARG 73 HE ARG 73 -0.471 -10.748 10.554 560 HH11 ARG 73 1HH1 ARG 73 3.049 -10.560 10.923 561 HH12 ARG 73 2HH1 ARG 73 3.009 -10.660 12.620 562 HH21 ARG 73 1HH2 ARG 73 -0.479 -10.868 12.932 563 HH22 ARG 73 2HH2 ARG 73 1.003 -10.834 13.777 564 H ASP 74 H ASP 74 -0.403 -12.171 5.508 565 HA ASP 74 HA ASP 74 0.045 -14.996 6.189 566 HB2 ASP 74 2HB ASP 74 -1.853 -14.035 7.396 567 HB3 ASP 74 1HB ASP 74 -2.540 -13.435 5.895 568 H GLY 75 H GLY 75 -1.736 -12.959 3.940 569 HA2 GLY 75 2HA GLY 75 -0.910 -14.779 1.789 570 HA3 GLY 75 1HA GLY 75 -2.586 -14.272 1.956 571 H ARG 76 H ARG 76 -1.715 -11.499 2.761 572 HA ARG 76 HA ARG 76 -1.349 -10.649 -0.020 573 HB2 ARG 76 2HB ARG 76 -2.606 -8.687 0.477 574 HB3 ARG 76 1HB ARG 76 -3.475 -10.001 1.249 575 HG2 ARG 76 2HG ARG 76 -2.217 -9.353 3.378 576 HG3 ARG 76 1HG ARG 76 -1.761 -7.901 2.513 577 HD2 ARG 76 2HD ARG 76 -4.551 -8.822 3.109 578 HD3 ARG 76 1HD ARG 76 -3.668 -7.498 3.891 579 HE ARG 76 HE ARG 76 -4.111 -7.259 1.027 580 HH11 ARG 76 1HH1 ARG 76 -5.291 -6.403 4.250 581 HH12 ARG 76 2HH1 ARG 76 -6.251 -5.093 3.721 582 HH21 ARG 76 1HH2 ARG 76 -5.430 -5.535 0.296 583 HH22 ARG 76 2HH2 ARG 76 -6.335 -4.565 1.383 584 H TYR 77 H TYR 77 -0.271 -8.510 -0.197 585 HA TYR 77 HA TYR 77 2.128 -8.510 1.506 586 HB2 TYR 77 2HB TYR 77 1.847 -7.660 -1.389 587 HB3 TYR 77 1HB TYR 77 3.304 -7.455 -0.428 588 HD1 TYR 77 1HD TYR 77 4.671 -9.361 0.171 589 HD2 TYR 77 2HD TYR 77 1.167 -9.847 -2.184 590 HE1 TYR 77 1HE TYR 77 5.398 -11.625 -0.435 591 HE2 TYR 77 2HE TYR 77 1.883 -12.113 -2.797 592 HH TYR 77 HH TYR 77 3.985 -13.403 -2.923 593 H ILE 78 H ILE 78 2.926 -6.574 2.234 594 HA ILE 78 HA ILE 78 1.033 -4.332 2.039 595 HB ILE 78 HB ILE 78 3.113 -4.678 4.207 596 HG12 ILE 78 2HG1 ILE 78 1.699 -6.705 4.300 597 HG13 ILE 78 1HG1 ILE 78 1.404 -5.660 5.679 598 HG21 ILE 78 1HG2 ILE 78 0.503 -3.198 4.029 599 HG22 ILE 78 2HG2 ILE 78 2.118 -2.484 3.946 600 HG23 ILE 78 3HG2 ILE 78 1.547 -3.232 5.450 601 HD11 ILE 78 3HD1 ILE 78 -0.631 -4.856 4.612 602 HD12 ILE 78 1HD1 ILE 78 -0.632 -6.612 4.828 603 HD13 ILE 78 2HD1 ILE 78 -0.306 -5.921 3.232 604 H TYR 79 H TYR 79 1.828 -2.651 0.949 605 HA TYR 79 HA TYR 79 4.710 -2.493 0.515 606 HB2 TYR 79 2HB TYR 79 2.434 -1.368 -1.091 607 HB3 TYR 79 1HB TYR 79 4.129 -1.015 -1.405 608 HD1 TYR 79 1HD TYR 79 1.537 -3.602 -1.478 609 HD2 TYR 79 2HD TYR 79 5.568 -2.633 -2.371 610 HE1 TYR 79 1HE TYR 79 1.717 -5.633 -2.794 611 HE2 TYR 79 2HE TYR 79 5.780 -4.661 -3.694 612 HH TYR 79 HH TYR 79 3.085 -6.604 -4.532 613 H TYR 80 H TYR 80 5.798 -1.050 1.396 614 HA TYR 80 HA TYR 80 4.489 1.327 2.447 615 HB2 TYR 80 2HB TYR 80 7.020 -0.079 3.250 616 HB3 TYR 80 1HB TYR 80 6.503 1.471 3.906 617 HD1 TYR 80 2HD TYR 80 5.762 -2.132 3.755 618 HD2 TYR 80 1HD TYR 80 4.791 1.580 5.546 619 HE1 TYR 80 2HE TYR 80 4.465 -3.305 5.467 620 HE2 TYR 80 1HE TYR 80 3.495 0.433 7.275 621 HH TYR 80 HH TYR 80 3.658 -2.936 7.720 622 H LEU 81 H LEU 81 4.605 2.703 0.850 623 HA LEU 81 HA LEU 81 6.849 2.966 -0.942 624 HB2 LEU 81 2HB LEU 81 4.434 4.714 -0.465 625 HB3 LEU 81 1HB LEU 81 5.498 4.817 -1.838 626 HG LEU 81 HG LEU 81 3.637 2.523 -1.199 627 HD11 LEU 81 1HD1 LEU 81 2.457 4.506 -1.916 628 HD12 LEU 81 2HD1 LEU 81 2.421 3.274 -3.181 629 HD13 LEU 81 3HD1 LEU 81 3.516 4.650 -3.318 630 HD21 LEU 81 3HD2 LEU 81 5.445 2.952 -3.592 631 HD22 LEU 81 1HD2 LEU 81 4.250 1.664 -3.425 632 HD23 LEU 81 2HD2 LEU 81 5.639 1.732 -2.347 633 H ILE 82 H ILE 82 8.660 4.076 -0.303 634 HA ILE 82 HA ILE 82 8.447 5.873 1.958 635 HB ILE 82 HB ILE 82 10.853 5.455 0.183 636 HG12 ILE 82 2HG1 ILE 82 10.150 3.275 1.091 637 HG13 ILE 82 1HG1 ILE 82 11.666 3.816 1.787 638 HG21 ILE 82 1HG2 ILE 82 12.071 6.236 2.134 639 HG22 ILE 82 2HG2 ILE 82 10.551 6.398 3.025 640 HG23 ILE 82 3HG2 ILE 82 10.867 7.432 1.633 641 HD11 ILE 82 3HD1 ILE 82 10.459 4.518 3.788 642 HD12 ILE 82 1HD1 ILE 82 10.382 2.816 3.467 643 HD13 ILE 82 2HD1 ILE 82 8.951 3.833 3.160 644 H THR 83 H THR 83 7.468 7.711 1.466 645 HA THR 83 HA THR 83 8.012 8.892 -1.127 646 HB THR 83 HB THR 83 5.686 9.464 0.694 647 HG1 THR 83 1HG THR 83 6.291 7.307 -1.028 648 HG21 THR 83 3HG2 THR 83 6.129 10.940 -1.209 649 HG22 THR 83 1HG2 THR 83 4.635 9.971 -1.404 650 HG23 THR 83 2HG2 THR 83 6.112 9.490 -2.248 651 H LYS 84 H LYS 84 8.393 9.486 2.433 652 HA LYS 84 HA LYS 84 9.438 12.039 1.798 653 HB2 LYS 84 2HB LYS 84 8.303 12.883 3.865 654 HB3 LYS 84 1HB LYS 84 7.180 12.454 2.593 655 HG2 LYS 84 2HG LYS 84 6.732 10.307 3.735 656 HG3 LYS 84 1HG LYS 84 7.819 10.802 5.034 657 HD2 LYS 84 2HD LYS 84 6.375 12.737 5.500 658 HD3 LYS 84 1HD LYS 84 5.300 12.247 4.194 659 HE2 LYS 84 2HE LYS 84 4.850 10.135 5.380 660 HE3 LYS 84 1HE LYS 84 5.904 10.656 6.689 661 HZ1 LYS 84 3HZ LYS 84 4.372 12.567 7.048 662 HZ2 LYS 84 1HZ LYS 84 3.589 11.094 7.244 663 HZ3 LYS 84 2HZ LYS 84 3.363 11.955 5.849 664 H LYS 85 H LYS 85 11.132 12.509 3.293 665 HA LYS 85 HA LYS 85 12.462 10.158 4.207 666 HB2 LYS 85 2HB LYS 85 13.193 13.034 4.797 667 HB3 LYS 85 1HB LYS 85 14.223 11.635 5.072 668 HG2 LYS 85 2HG LYS 85 14.083 11.160 2.638 669 HG3 LYS 85 1HG LYS 85 13.250 12.701 2.451 670 HD2 LYS 85 2HD LYS 85 15.185 13.864 3.359 671 HD3 LYS 85 1HD LYS 85 16.012 12.316 3.580 672 HE2 LYS 85 2HE LYS 85 15.112 13.510 0.961 673 HE3 LYS 85 1HE LYS 85 16.770 13.356 1.541 674 HZ1 LYS 85 3HZ LYS 85 16.197 11.608 -0.034 675 HZ2 LYS 85 1HZ LYS 85 14.942 11.089 0.969 676 HZ3 LYS 85 2HZ LYS 85 16.534 10.956 1.485 677 H ARG 86 H ARG 86 11.483 13.007 6.009 678 HA ARG 86 HA ARG 86 11.300 11.447 8.481 679 HB2 ARG 86 2HB ARG 86 11.053 14.410 7.969 680 HB3 ARG 86 1HB ARG 86 10.985 13.672 9.560 681 HG2 ARG 86 2HG ARG 86 13.344 13.686 7.686 682 HG3 ARG 86 1HG ARG 86 13.147 14.678 9.132 683 HD2 ARG 86 2HD ARG 86 13.040 12.729 10.499 684 HD3 ARG 86 1HD ARG 86 13.180 11.690 9.076 685 HE ARG 86 HE ARG 86 15.328 13.496 9.251 686 HH11 ARG 86 1HH1 ARG 86 14.049 10.518 10.651 687 HH12 ARG 86 2HH1 ARG 86 15.563 9.879 11.093 688 HH21 ARG 86 1HH2 ARG 86 17.423 12.663 9.829 689 HH22 ARG 86 2HH2 ARG 86 17.572 11.150 10.610 690 H ALA 87 H ALA 87 9.385 11.723 9.807 691 HA ALA 87 HA ALA 87 7.039 11.181 8.393 692 HB1 ALA 87 1HB ALA 87 7.471 10.383 10.667 693 HB2 ALA 87 2HB ALA 87 5.929 11.229 10.557 694 HB3 ALA 87 3HB ALA 87 7.328 12.033 11.272 695 H SER 88 H SER 88 8.372 14.174 9.558 696 HA SER 88 HA SER 88 5.942 15.633 8.916 697 HB2 SER 88 2HB SER 88 7.203 16.103 11.024 698 HB3 SER 88 1HB SER 88 8.574 16.625 10.053 699 HG SER 88 HG SER 88 7.183 18.271 10.878 700 H HIS 89 H HIS 89 8.077 14.345 6.964 701 HA HIS 89 HA HIS 89 8.841 16.705 5.473 702 HB2 HIS 89 2HB HIS 89 9.507 13.810 5.117 703 HB3 HIS 89 1HB HIS 89 9.528 14.814 3.711 704 HD1 HIS 89 1HD HIS 89 12.091 14.874 3.407 705 HD2 HIS 89 2HD HIS 89 10.780 16.195 7.098 706 HE1 HIS 89 1HE HIS 89 14.133 15.713 4.563 707 HE2 HIS 89 2HE HIS 89 13.347 16.607 6.750 708 H LYS 90 H LYS 90 8.476 16.899 3.289 709 HA LYS 90 HA LYS 90 5.657 16.501 2.680 710 HB2 LYS 90 2HB LYS 90 7.795 18.005 1.159 711 HB3 LYS 90 1HB LYS 90 6.092 17.972 0.752 712 HG2 LYS 90 2HG LYS 90 5.574 19.119 2.858 713 HG3 LYS 90 1HG LYS 90 7.296 19.147 3.249 714 HD2 LYS 90 2HD LYS 90 7.737 20.457 1.225 715 HD3 LYS 90 1HD LYS 90 6.021 20.426 0.833 716 HE2 LYS 90 2HE LYS 90 5.540 21.650 2.914 717 HE3 LYS 90 1HE LYS 90 7.266 21.688 3.272 718 HZ1 LYS 90 3HZ LYS 90 5.966 22.929 0.921 719 HZ2 LYS 90 1HZ LYS 90 7.597 22.971 1.212 720 HZ3 LYS 90 2HZ LYS 90 6.531 23.759 2.258 721 HA PRO 91 HA PRO 91 6.710 13.090 -0.041 722 HB2 PRO 91 2HB PRO 91 4.281 12.886 -1.262 723 HB3 PRO 91 1HB PRO 91 4.568 12.269 0.369 724 HG2 PRO 91 2HG PRO 91 3.259 14.815 -0.487 725 HG3 PRO 91 1HG PRO 91 2.808 13.705 0.821 726 HD2 PRO 91 2HD PRO 91 4.151 16.033 1.225 727 HD3 PRO 91 1HD PRO 91 4.327 14.617 2.280 728 H THR 92 H THR 92 7.502 13.079 -2.203 729 HA THR 92 HA THR 92 6.892 15.498 -3.668 730 HB THR 92 HB THR 92 9.185 14.827 -4.773 731 HG1 THR 92 1HG THR 92 10.474 13.971 -2.978 732 HG21 THR 92 3HG2 THR 92 10.363 16.195 -3.121 733 HG22 THR 92 1HG2 THR 92 9.044 15.965 -1.973 734 HG23 THR 92 2HG2 THR 92 8.780 16.883 -3.454 735 H TYR 93 H TYR 93 6.742 15.318 -5.940 736 HA TYR 93 HA TYR 93 5.269 13.111 -6.795 737 HB2 TYR 93 2HB TYR 93 6.624 15.247 -8.439 738 HB3 TYR 93 1HB TYR 93 5.582 14.004 -9.108 739 HD1 TYR 93 2HD TYR 93 3.264 13.871 -7.511 740 HD2 TYR 93 1HD TYR 93 5.609 17.307 -8.391 741 HE1 TYR 93 2HE TYR 93 1.303 15.295 -7.167 742 HE2 TYR 93 1HE TYR 93 3.642 18.732 -8.052 743 HH TYR 93 HH TYR 93 1.239 18.520 -8.148 744 H GLU 94 H GLU 94 8.672 13.942 -7.370 745 HA GLU 94 HA GLU 94 9.250 11.835 -9.089 746 HB2 GLU 94 2HB GLU 94 10.748 13.747 -8.721 747 HB3 GLU 94 1HB GLU 94 11.063 13.176 -7.087 748 HG2 GLU 94 2HG GLU 94 11.908 11.080 -8.053 749 HG3 GLU 94 1HG GLU 94 11.726 11.808 -9.646 750 H ASN 95 H ASN 95 9.600 12.105 -5.562 751 HA ASN 95 HA ASN 95 10.545 9.484 -5.244 752 HB2 ASN 95 2HB ASN 95 9.462 11.522 -3.405 753 HB3 ASN 95 1HB ASN 95 9.726 9.871 -2.766 754 HD21 ASN 95 1HD2 ASN 95 10.973 12.249 -1.920 755 HD22 ASN 95 2HD2 ASN 95 12.661 12.144 -2.302 756 H LEU 96 H LEU 96 7.273 10.817 -5.014 757 HA LEU 96 HA LEU 96 6.049 8.454 -4.249 758 HB2 LEU 96 2HB LEU 96 4.954 10.646 -4.262 759 HB3 LEU 96 1HB LEU 96 4.975 10.646 -6.011 760 HG LEU 96 HG LEU 96 3.424 8.732 -6.029 761 HD11 LEU 96 1HD1 LEU 96 4.056 7.699 -3.904 762 HD12 LEU 96 2HD1 LEU 96 2.326 8.036 -3.948 763 HD13 LEU 96 3HD1 LEU 96 3.405 9.088 -3.031 764 HD21 LEU 96 3HD2 LEU 96 2.543 10.972 -6.139 765 HD22 LEU 96 1HD2 LEU 96 2.537 11.091 -4.377 766 HD23 LEU 96 2HD2 LEU 96 1.469 9.944 -5.189 767 H GLN 97 H GLN 97 6.645 9.658 -7.635 768 HA GLN 97 HA GLN 97 5.398 7.451 -8.786 769 HB2 GLN 97 2HB GLN 97 6.265 8.176 -10.867 770 HB3 GLN 97 1HB GLN 97 5.965 9.628 -9.948 771 HG2 GLN 97 2HG GLN 97 8.432 9.610 -9.373 772 HG3 GLN 97 1HG GLN 97 8.521 8.288 -10.555 773 HE21 GLN 97 1HE2 GLN 97 8.368 8.720 -12.721 774 HE22 GLN 97 2HE2 GLN 97 8.384 10.304 -13.371 775 H LYS 98 H LYS 98 8.708 7.955 -7.707 776 HA LYS 98 HA LYS 98 9.724 5.579 -8.856 777 HB2 LYS 98 2HB LYS 98 10.771 7.163 -6.509 778 HB3 LYS 98 1HB LYS 98 11.634 5.827 -7.255 779 HG2 LYS 98 2HG LYS 98 11.655 7.083 -9.391 780 HG3 LYS 98 1HG LYS 98 10.878 8.429 -8.569 781 HD2 LYS 98 2HD LYS 98 13.586 7.269 -7.885 782 HD3 LYS 98 1HD LYS 98 13.303 8.765 -8.772 783 HE2 LYS 98 2HE LYS 98 12.140 9.673 -6.756 784 HE3 LYS 98 1HE LYS 98 12.519 8.183 -5.919 785 HZ1 LYS 98 3HZ LYS 98 14.112 9.900 -5.378 786 HZ2 LYS 98 1HZ LYS 98 14.528 10.069 -7.012 787 HZ3 LYS 98 2HZ LYS 98 14.857 8.626 -6.201 788 H SER 99 H SER 99 8.253 6.251 -5.709 789 HA SER 99 HA SER 99 8.689 3.628 -4.698 790 HB2 SER 99 2HB SER 99 7.001 4.203 -2.984 791 HB3 SER 99 1HB SER 99 8.139 5.515 -3.189 792 HG SER 99 HG SER 99 6.254 6.171 -4.818 793 H LEU 100 H LEU 100 6.021 5.007 -6.617 794 HA LEU 100 HA LEU 100 4.444 2.666 -6.828 795 HB2 LEU 100 2HB LEU 100 4.865 5.120 -8.542 796 HB3 LEU 100 1HB LEU 100 3.870 3.811 -9.106 797 HG LEU 100 HG LEU 100 2.747 5.853 -8.112 798 HD11 LEU 100 1HD1 LEU 100 0.982 4.487 -7.025 799 HD12 LEU 100 2HD1 LEU 100 2.098 3.120 -6.998 800 HD13 LEU 100 3HD1 LEU 100 1.548 3.785 -8.538 801 HD21 LEU 100 3HD2 LEU 100 2.394 5.838 -5.678 802 HD22 LEU 100 1HD2 LEU 100 4.076 6.143 -6.112 803 HD23 LEU 100 2HD2 LEU 100 3.589 4.551 -5.531 804 H GLU 101 H GLU 101 7.269 3.758 -8.703 805 HA GLU 101 HA GLU 101 7.168 1.756 -10.687 806 HB2 GLU 101 2HB GLU 101 9.663 2.971 -9.502 807 HB3 GLU 101 1HB GLU 101 9.565 2.135 -11.040 808 HG2 GLU 101 2HG GLU 101 8.024 3.862 -11.770 809 HG3 GLU 101 1HG GLU 101 8.337 4.754 -10.296 810 H ALA 102 H ALA 102 8.983 1.960 -7.773 811 HA ALA 102 HA ALA 102 10.180 -0.584 -7.802 812 HB1 ALA 102 1HB ALA 102 10.830 1.256 -6.266 813 HB2 ALA 102 2HB ALA 102 10.609 -0.291 -5.445 814 HB3 ALA 102 3HB ALA 102 9.360 0.952 -5.335 815 H MET 103 H MET 103 7.116 0.483 -6.431 816 HA MET 103 HA MET 103 6.356 -1.949 -5.349 817 HB2 MET 103 2HB MET 103 5.313 0.028 -4.571 818 HB3 MET 103 1HB MET 103 4.806 0.482 -6.191 819 HG2 MET 103 2HG MET 103 3.271 -1.087 -6.309 820 HG3 MET 103 1HG MET 103 3.813 -2.009 -4.860 821 HE1 MET 103 3HE MET 103 3.118 1.838 -5.560 822 HE2 MET 103 1HE MET 103 1.450 1.953 -5.006 823 HE3 MET 103 2HE MET 103 1.839 0.946 -6.401 824 H LYS 104 H LYS 104 5.413 -0.486 -8.533 825 HA LYS 104 HA LYS 104 3.796 -2.605 -9.300 826 HB2 LYS 104 2HB LYS 104 3.866 -1.648 -11.560 827 HB3 LYS 104 1HB LYS 104 3.625 -0.426 -10.337 828 HG2 LYS 104 2HG LYS 104 4.943 0.413 -12.028 829 HG3 LYS 104 1HG LYS 104 5.964 0.239 -10.589 830 HD2 LYS 104 2HD LYS 104 6.863 -1.847 -11.612 831 HD3 LYS 104 1HD LYS 104 5.838 -1.497 -13.020 832 HE2 LYS 104 2HE LYS 104 7.049 0.447 -13.540 833 HE3 LYS 104 1HE LYS 104 7.931 0.413 -12.009 834 HZ1 LYS 104 3HZ LYS 104 9.352 -0.378 -13.776 835 HZ2 LYS 104 1HZ LYS 104 8.211 -1.549 -14.233 836 HZ3 LYS 104 2HZ LYS 104 8.984 -1.629 -12.734 837 H SER 105 H SER 105 7.239 -2.300 -9.476 838 HA SER 105 HA SER 105 7.611 -4.419 -11.332 839 HB2 SER 105 2HB SER 105 9.539 -3.259 -9.316 840 HB3 SER 105 1HB SER 105 9.963 -4.262 -10.708 841 HG SER 105 HG SER 105 9.311 -1.609 -10.550 842 H HIS 106 H HIS 106 7.563 -4.196 -7.810 843 HA HIS 106 HA HIS 106 8.339 -6.929 -7.373 844 HB2 HIS 106 2HB HIS 106 8.576 -5.238 -5.597 845 HB3 HIS 106 1HB HIS 106 6.814 -5.089 -5.528 846 HD1 HIS 106 1HD HIS 106 5.788 -6.497 -3.739 847 HD2 HIS 106 2HD HIS 106 9.190 -8.154 -5.359 848 HE1 HIS 106 1HE HIS 106 6.116 -8.526 -2.439 849 HE2 HIS 106 2HE HIS 106 8.414 -9.383 -3.150 850 H CYS 107 H CYS 107 5.178 -5.357 -7.571 851 HA CYS 107 HA CYS 107 3.869 -7.731 -6.991 852 HB2 CYS 107 2HB CYS 107 1.862 -6.553 -8.176 853 HB3 CYS 107 1HB CYS 107 2.502 -5.872 -6.683 854 HG CYS 107 HG CYS 107 3.539 -4.716 -9.704 855 H LEU 108 H LEU 108 5.152 -6.585 -10.051 856 HA LEU 108 HA LEU 108 3.998 -8.475 -11.750 857 HB2 LEU 108 2HB LEU 108 6.777 -7.327 -11.774 858 HB3 LEU 108 1HB LEU 108 6.028 -8.201 -13.087 859 HG LEU 108 HG LEU 108 5.143 -5.539 -12.015 860 HD11 LEU 108 1HD1 LEU 108 6.513 -6.314 -14.578 861 HD12 LEU 108 2HD1 LEU 108 7.251 -5.474 -13.217 862 HD13 LEU 108 3HD1 LEU 108 5.969 -4.685 -14.148 863 HD21 LEU 108 3HD2 LEU 108 3.323 -6.893 -12.801 864 HD22 LEU 108 1HD2 LEU 108 4.155 -7.188 -14.325 865 HD23 LEU 108 2HD2 LEU 108 3.612 -5.545 -13.916 866 H LYS 109 H LYS 109 6.845 -8.626 -9.643 867 HA LYS 109 HA LYS 109 7.768 -11.141 -10.595 868 HB2 LYS 109 2HB LYS 109 8.306 -9.732 -7.994 869 HB3 LYS 109 1HB LYS 109 9.234 -11.058 -8.689 870 HG2 LYS 109 2HG LYS 109 9.757 -9.743 -10.575 871 HG3 LYS 109 1HG LYS 109 8.827 -8.394 -9.972 872 HD2 LYS 109 2HD LYS 109 11.201 -7.999 -9.465 873 HD3 LYS 109 1HD LYS 109 10.255 -8.228 -7.994 874 HE2 LYS 109 2HE LYS 109 11.036 -10.539 -7.842 875 HE3 LYS 109 1HE LYS 109 11.968 -10.325 -9.327 876 HZ1 LYS 109 3HZ LYS 109 13.372 -10.083 -7.401 877 HZ2 LYS 109 1HZ LYS 109 12.399 -8.890 -6.757 878 HZ3 LYS 109 2HZ LYS 109 13.262 -8.600 -8.166 879 H ASN 110 H ASN 110 5.469 -10.179 -8.412 880 HA ASN 110 HA ASN 110 5.353 -12.865 -7.148 881 HB2 ASN 110 2HB ASN 110 4.096 -10.305 -6.142 882 HB3 ASN 110 1HB ASN 110 3.856 -11.879 -5.407 883 HD21 ASN 110 1HD2 ASN 110 6.886 -10.693 -6.721 884 HD22 ASN 110 2HD2 ASN 110 7.753 -10.639 -5.245 885 H GLY 111 H GLY 111 3.821 -11.222 -9.555 886 HA2 GLY 111 2HA GLY 111 1.966 -11.803 -10.800 887 HA3 GLY 111 1HA GLY 111 1.753 -13.191 -9.742 888 H VAL 112 H VAL 112 1.916 -9.882 -8.663 889 HA VAL 112 HA VAL 112 -0.777 -10.161 -7.587 890 HB VAL 112 HB VAL 112 1.404 -8.155 -6.907 891 HG11 VAL 112 1HG1 VAL 112 -0.822 -7.184 -6.624 892 HG12 VAL 112 2HG1 VAL 112 -0.051 -7.459 -5.062 893 HG13 VAL 112 3HG1 VAL 112 -1.304 -8.564 -5.635 894 HG21 VAL 112 3HG2 VAL 112 1.509 -9.337 -4.759 895 HG22 VAL 112 1HG2 VAL 112 1.896 -10.404 -6.113 896 HG23 VAL 112 2HG2 VAL 112 0.306 -10.486 -5.353 897 H THR 113 H THR 113 -2.321 -9.270 -8.639 898 HA THR 113 HA THR 113 -1.848 -6.978 -10.477 899 HB THR 113 HB THR 113 -3.867 -7.885 -11.618 900 HG1 THR 113 1HG THR 113 -4.601 -9.203 -9.732 901 HG21 THR 113 3HG2 THR 113 -1.616 -8.411 -12.478 902 HG22 THR 113 1HG2 THR 113 -2.719 -9.763 -12.738 903 HG23 THR 113 2HG2 THR 113 -1.548 -9.822 -11.421 904 H ASP 114 H ASP 114 -2.785 -7.383 -7.463 905 HA ASP 114 HA ASP 114 -4.976 -5.479 -7.793 906 HB2 ASP 114 2HB ASP 114 -5.139 -7.907 -5.978 907 HB3 ASP 114 1HB ASP 114 -6.359 -6.649 -6.127 908 H LEU 115 H LEU 115 -4.627 -3.737 -6.630 909 HA LEU 115 HA LEU 115 -3.170 -3.950 -4.105 910 HB2 LEU 115 2HB LEU 115 -2.661 -2.007 -6.351 911 HB3 LEU 115 1HB LEU 115 -2.070 -1.770 -4.720 912 HG LEU 115 HG LEU 115 -1.357 -4.166 -6.402 913 HD11 LEU 115 1HD1 LEU 115 0.802 -3.010 -6.748 914 HD12 LEU 115 2HD1 LEU 115 0.177 -1.603 -5.878 915 HD13 LEU 115 3HD1 LEU 115 -0.529 -2.069 -7.426 916 HD21 LEU 115 3HD2 LEU 115 0.398 -4.463 -4.752 917 HD22 LEU 115 1HD2 LEU 115 -1.194 -4.405 -3.984 918 HD23 LEU 115 2HD2 LEU 115 -0.137 -3.005 -3.909 919 H SER 116 H SER 116 -3.756 -2.474 -2.522 920 HA SER 116 HA SER 116 -5.955 -0.687 -3.166 921 HB2 SER 116 2HB SER 116 -5.776 -2.619 -0.862 922 HB3 SER 116 1HB SER 116 -7.031 -1.397 -1.064 923 HG SER 116 HG SER 116 -6.709 -2.864 -3.291 924 H MET 117 H MET 117 -5.665 1.263 -2.332 925 HA MET 117 HA MET 117 -3.964 1.636 -0.002 926 HB2 MET 117 2HB MET 117 -2.827 3.566 -1.077 927 HB3 MET 117 1HB MET 117 -2.441 2.054 -1.865 928 HG2 MET 117 2HG MET 117 -4.470 4.040 -2.874 929 HG3 MET 117 1HG MET 117 -2.791 3.990 -3.395 930 HE1 MET 117 3HE MET 117 -1.728 1.945 -4.741 931 HE2 MET 117 1HE MET 117 -2.630 0.507 -5.223 932 HE3 MET 117 2HE MET 117 -2.276 0.800 -3.518 933 HA PRO 118 HA PRO 118 -7.181 4.680 0.722 934 HB2 PRO 118 2HB PRO 118 -6.117 6.122 2.688 935 HB3 PRO 118 1HB PRO 118 -6.448 4.402 2.947 936 HG2 PRO 118 2HG PRO 118 -3.846 5.756 2.360 937 HG3 PRO 118 1HG PRO 118 -4.203 4.446 3.494 938 HD2 PRO 118 2HD PRO 118 -3.152 4.105 0.950 939 HD3 PRO 118 1HD PRO 118 -3.970 2.845 1.891 940 H ARG 119 H ARG 119 -6.777 7.384 1.428 941 HA ARG 119 HA ARG 119 -5.920 8.520 -1.036 942 HB2 ARG 119 2HB ARG 119 -7.670 9.582 0.381 943 HB3 ARG 119 1HB ARG 119 -6.461 9.894 1.616 944 HG2 ARG 119 2HG ARG 119 -5.228 11.299 -0.017 945 HG3 ARG 119 1HG ARG 119 -6.548 11.059 -1.158 946 HD2 ARG 119 2HD ARG 119 -8.102 12.072 0.475 947 HD3 ARG 119 1HD ARG 119 -6.736 12.365 1.553 948 HE ARG 119 HE ARG 119 -6.575 13.431 -1.135 949 HH11 ARG 119 1HH1 ARG 119 -7.199 14.135 2.290 950 HH12 ARG 119 2HH1 ARG 119 -7.029 15.817 2.112 951 HH21 ARG 119 1HH2 ARG 119 -6.341 15.735 -1.363 952 HH22 ARG 119 2HH2 ARG 119 -6.535 16.734 0.006 953 H ILE 120 H ILE 120 -3.810 7.933 -1.349 954 HA ILE 120 HA ILE 120 -1.849 8.349 0.653 955 HB ILE 120 HB ILE 120 -0.160 7.796 -1.152 956 HG12 ILE 120 2HG1 ILE 120 -2.669 7.301 -2.792 957 HG13 ILE 120 1HG1 ILE 120 -1.465 8.545 -3.102 958 HG21 ILE 120 1HG2 ILE 120 -0.993 6.113 0.378 959 HG22 ILE 120 2HG2 ILE 120 -0.781 5.419 -1.231 960 HG23 ILE 120 3HG2 ILE 120 -2.394 5.837 -0.653 961 HD11 ILE 120 3HD1 ILE 120 -1.247 6.664 -4.605 962 HD12 ILE 120 1HD1 ILE 120 -1.009 5.572 -3.237 963 HD13 ILE 120 2HD1 ILE 120 0.189 6.824 -3.592 964 H GLY 121 H GLY 121 -1.828 10.335 1.298 965 HA2 GLY 121 2HA GLY 121 -0.097 12.176 0.500 966 HA3 GLY 121 1HA GLY 121 -1.495 12.535 -0.517 967 H CYS 122 H CYS 122 -1.703 14.544 0.592 968 HA CYS 122 HA CYS 122 -3.415 14.306 2.906 969 HB2 CYS 122 2HB CYS 122 -0.880 15.986 2.949 970 HB3 CYS 122 1HB CYS 122 -2.150 16.051 4.162 971 HG CYS 122 HG CYS 122 -1.370 12.995 3.943 972 H GLY 123 H GLY 123 -4.108 16.727 3.433 973 HA2 GLY 123 2HA GLY 123 -4.948 17.917 0.946 974 HA3 GLY 123 1HA GLY 123 -5.342 18.496 2.561 975 H LEU 124 H LEU 124 -2.472 18.011 0.633 976 HA LEU 124 HA LEU 124 -1.344 20.516 1.652 977 HB2 LEU 124 2HB LEU 124 -0.069 18.430 2.028 978 HB3 LEU 124 1HB LEU 124 -0.044 18.138 0.305 979 HG LEU 124 HG LEU 124 1.330 20.189 0.022 980 HD11 LEU 124 1HD1 LEU 124 0.617 21.391 2.010 981 HD12 LEU 124 2HD1 LEU 124 2.372 21.198 1.983 982 HD13 LEU 124 3HD1 LEU 124 1.387 20.175 3.030 983 HD21 LEU 124 3HD2 LEU 124 2.377 17.991 0.173 984 HD22 LEU 124 1HD2 LEU 124 2.442 18.136 1.929 985 HD23 LEU 124 2HD2 LEU 124 3.392 19.227 0.919 986 H ASP 125 H ASP 125 -1.442 22.163 0.265 987 HA ASP 125 HA ASP 125 -2.437 21.903 -2.380 988 HB2 ASP 125 2HB ASP 125 -1.202 24.289 -1.012 989 HB3 ASP 125 1HB ASP 125 -1.913 24.337 -2.619 990 H ARG 126 H ARG 126 0.652 21.556 -1.186 991 HA ARG 126 HA ARG 126 2.125 22.509 -3.365 992 HB2 ARG 126 2HB ARG 126 3.142 22.009 -1.160 993 HB3 ARG 126 1HB ARG 126 2.856 20.300 -1.434 994 HG2 ARG 126 2HG ARG 126 5.159 20.882 -1.868 995 HG3 ARG 126 1HG ARG 126 4.340 20.335 -3.335 996 HD2 ARG 126 2HD ARG 126 3.999 22.689 -4.006 997 HD3 ARG 126 1HD ARG 126 4.874 23.210 -2.564 998 HE ARG 126 HE ARG 126 6.545 21.502 -3.870 999 HH11 ARG 126 1HH1 ARG 126 4.913 24.541 -4.663 1000 HH12 ARG 126 2HH1 ARG 126 6.082 25.057 -5.774 1001 HH21 ARG 126 1HH2 ARG 126 8.155 22.177 -5.420 1002 HH22 ARG 126 2HH2 ARG 126 8.004 23.658 -6.228 1003 H LEU 127 H LEU 127 0.632 19.361 -2.690 1004 HA LEU 127 HA LEU 127 1.216 18.607 -5.430 1005 HB2 LEU 127 2HB LEU 127 0.596 16.829 -3.071 1006 HB3 LEU 127 1HB LEU 127 0.703 16.282 -4.723 1007 HG LEU 127 HG LEU 127 3.060 17.175 -4.690 1008 HD11 LEU 127 1HD1 LEU 127 3.018 18.509 -2.745 1009 HD12 LEU 127 2HD1 LEU 127 4.217 17.223 -2.580 1010 HD13 LEU 127 3HD1 LEU 127 2.665 17.098 -1.732 1011 HD21 LEU 127 3HD2 LEU 127 3.943 15.094 -3.686 1012 HD22 LEU 127 1HD2 LEU 127 2.573 14.823 -4.766 1013 HD23 LEU 127 2HD2 LEU 127 2.338 14.781 -3.015 1014 H GLN 128 H GLN 128 -0.401 17.537 -6.548 1015 HA GLN 128 HA GLN 128 -3.140 18.079 -5.587 1016 HB2 GLN 128 2HB GLN 128 -2.188 18.049 -8.464 1017 HB3 GLN 128 1HB GLN 128 -3.812 18.422 -7.906 1018 HG2 GLN 128 2HG GLN 128 -1.331 20.054 -7.409 1019 HG3 GLN 128 1HG GLN 128 -2.629 20.428 -8.539 1020 HE21 GLN 128 1HE2 GLN 128 -1.579 21.920 -6.270 1021 HE22 GLN 128 2HE2 GLN 128 -2.913 22.242 -5.228 1022 H TRP 129 H TRP 129 -4.522 16.341 -5.677 1023 HA TRP 129 HA TRP 129 -3.424 13.764 -5.919 1024 HB2 TRP 129 2HB TRP 129 -5.380 14.121 -4.512 1025 HB3 TRP 129 1HB TRP 129 -6.339 14.606 -5.908 1026 HD1 TRP 129 HD TRP 129 -7.475 12.719 -7.305 1027 HE1 TRP 129 1HE TRP 129 -7.580 10.172 -7.147 1028 HE3 TRP 129 3HE TRP 129 -3.912 11.998 -3.709 1029 HZ2 TRP 129 2HZ TRP 129 -6.315 8.095 -5.684 1030 HZ3 TRP 129 3HZ TRP 129 -3.426 9.694 -2.987 1031 HH2 TRP 129 HH TRP 129 -4.610 7.785 -3.960 1032 H GLU 130 H GLU 130 -4.987 15.832 -8.166 1033 HA GLU 130 HA GLU 130 -5.621 14.112 -10.254 1034 HB2 GLU 130 2HB GLU 130 -6.207 16.485 -10.194 1035 HB3 GLU 130 1HB GLU 130 -4.517 16.915 -10.360 1036 HG2 GLU 130 2HG GLU 130 -4.464 16.002 -12.585 1037 HG3 GLU 130 1HG GLU 130 -6.124 15.430 -12.421 1038 H ASN 131 H ASN 131 -2.546 15.615 -9.412 1039 HA ASN 131 HA ASN 131 -1.066 14.645 -11.653 1040 HB2 ASN 131 2HB ASN 131 -0.161 15.617 -8.925 1041 HB3 ASN 131 1HB ASN 131 0.948 15.172 -10.203 1042 HD21 ASN 131 1HD2 ASN 131 -2.033 16.852 -10.967 1043 HD22 ASN 131 2HD2 ASN 131 -1.292 18.367 -11.325 1044 H VAL 132 H VAL 132 -1.548 13.573 -8.341 1045 HA VAL 132 HA VAL 132 0.136 11.336 -8.336 1046 HB VAL 132 HB VAL 132 -2.452 11.750 -6.808 1047 HG11 VAL 132 1HG1 VAL 132 -1.826 9.424 -6.757 1048 HG12 VAL 132 2HG1 VAL 132 -1.502 10.143 -5.175 1049 HG13 VAL 132 3HG1 VAL 132 -0.178 9.838 -6.302 1050 HG21 VAL 132 3HG2 VAL 132 -1.007 12.532 -4.974 1051 HG22 VAL 132 1HG2 VAL 132 -0.855 13.547 -6.407 1052 HG23 VAL 132 2HG2 VAL 132 0.400 12.370 -6.024 1053 H SER 133 H SER 133 -3.320 11.593 -9.041 1054 HA SER 133 HA SER 133 -3.851 8.903 -9.566 1055 HB2 SER 133 2HB SER 133 -5.588 10.662 -9.217 1056 HB3 SER 133 1HB SER 133 -5.175 11.367 -10.770 1057 HG SER 133 HG SER 133 -6.723 9.219 -10.153 1058 H ALA 134 H ALA 134 -2.886 11.510 -11.811 1059 HA ALA 134 HA ALA 134 -2.865 9.930 -14.130 1060 HB1 ALA 134 1HB ALA 134 -2.829 12.389 -14.173 1061 HB2 ALA 134 2HB ALA 134 -1.501 11.713 -15.114 1062 HB3 ALA 134 3HB ALA 134 -1.194 12.372 -13.509 1063 H MET 135 H MET 135 -0.335 10.741 -11.858 1064 HA MET 135 HA MET 135 1.915 9.550 -12.924 1065 HB2 MET 135 2HB MET 135 1.912 10.968 -10.949 1066 HB3 MET 135 1HB MET 135 1.026 9.752 -10.057 1067 HG2 MET 135 2HG MET 135 2.937 8.227 -10.287 1068 HG3 MET 135 1HG MET 135 3.829 9.514 -11.102 1069 HE1 MET 135 3HE MET 135 4.462 11.807 -9.963 1070 HE2 MET 135 1HE MET 135 4.127 12.173 -8.274 1071 HE3 MET 135 2HE MET 135 2.798 12.091 -9.427 1072 H ILE 136 H ILE 136 -0.504 8.149 -10.777 1073 HA ILE 136 HA ILE 136 0.652 5.605 -10.545 1074 HB ILE 136 HB ILE 136 -2.223 6.505 -10.295 1075 HG12 ILE 136 2HG1 ILE 136 -0.107 5.888 -8.230 1076 HG13 ILE 136 1HG1 ILE 136 -0.671 7.486 -8.685 1077 HG21 ILE 136 1HG2 ILE 136 -2.690 4.439 -9.120 1078 HG22 ILE 136 2HG2 ILE 136 -1.070 3.833 -9.480 1079 HG23 ILE 136 3HG2 ILE 136 -2.227 4.121 -10.791 1080 HD11 ILE 136 3HD1 ILE 136 -2.312 5.349 -7.331 1081 HD12 ILE 136 1HD1 ILE 136 -2.895 6.946 -7.801 1082 HD13 ILE 136 2HD1 ILE 136 -1.635 6.793 -6.579 1083 H GLU 137 H GLU 137 -1.632 6.935 -12.850 1084 HA GLU 137 HA GLU 137 -2.065 4.531 -14.280 1085 HB2 GLU 137 2HB GLU 137 -2.284 7.373 -15.232 1086 HB3 GLU 137 1HB GLU 137 -2.956 5.974 -16.050 1087 HG2 GLU 137 2HG GLU 137 -4.395 5.580 -14.079 1088 HG3 GLU 137 1HG GLU 137 -3.753 7.058 -13.364 1089 H GLU 138 H GLU 138 0.287 7.142 -14.561 1090 HA GLU 138 HA GLU 138 1.351 6.352 -17.071 1091 HB2 GLU 138 2HB GLU 138 2.773 7.904 -14.910 1092 HB3 GLU 138 1HB GLU 138 3.233 7.802 -16.599 1093 HG2 GLU 138 2HG GLU 138 1.027 8.916 -17.140 1094 HG3 GLU 138 1HG GLU 138 0.862 9.171 -15.393 1095 H VAL 139 H VAL 139 2.429 5.744 -13.754 1096 HA VAL 139 HA VAL 139 4.681 4.215 -14.573 1097 HB VAL 139 HB VAL 139 3.297 4.273 -11.858 1098 HG11 VAL 139 1HG1 VAL 139 4.601 2.238 -12.123 1099 HG12 VAL 139 2HG1 VAL 139 5.390 3.315 -10.975 1100 HG13 VAL 139 3HG1 VAL 139 6.003 3.162 -12.624 1101 HG21 VAL 139 3HG2 VAL 139 5.164 5.781 -11.195 1102 HG22 VAL 139 1HG2 VAL 139 4.217 6.465 -12.516 1103 HG23 VAL 139 2HG2 VAL 139 5.783 5.728 -12.825 1104 H PHE 140 H PHE 140 1.432 3.295 -13.501 1105 HA PHE 140 HA PHE 140 1.979 0.528 -13.806 1106 HB2 PHE 140 2HB PHE 140 -0.496 2.032 -13.163 1107 HB3 PHE 140 1HB PHE 140 -0.621 0.363 -13.695 1108 HD1 PHE 140 2HD PHE 140 0.458 -1.437 -12.373 1109 HD2 PHE 140 1HD PHE 140 0.242 2.579 -10.960 1110 HE1 PHE 140 2HE PHE 140 0.845 -2.217 -10.125 1111 HE2 PHE 140 1HE PHE 140 0.657 1.750 -8.665 1112 HZ PHE 140 HZ PHE 140 0.938 -0.737 -8.313 1113 H GLU 141 H GLU 141 1.279 2.848 -16.119 1114 HA GLU 141 HA GLU 141 -0.446 1.777 -17.884 1115 HB2 GLU 141 2HB GLU 141 0.559 3.961 -18.038 1116 HB3 GLU 141 1HB GLU 141 2.114 3.249 -18.404 1117 HG2 GLU 141 2HG GLU 141 1.229 2.388 -20.467 1118 HG3 GLU 141 1HG GLU 141 -0.349 3.098 -20.067 1119 H ALA 142 H ALA 142 2.942 0.942 -17.652 1120 HA ALA 142 HA ALA 142 2.799 -0.883 -19.894 1121 HB1 ALA 142 1HB ALA 142 5.134 -1.369 -19.478 1122 HB2 ALA 142 2HB ALA 142 5.046 -0.561 -17.915 1123 HB3 ALA 142 3HB ALA 142 4.860 0.374 -19.399 1124 H THR 143 H THR 143 1.604 -1.239 -16.920 1125 HA THR 143 HA THR 143 2.080 -4.154 -16.865 1126 HB THR 143 HB THR 143 1.877 -4.077 -14.386 1127 HG1 THR 143 1HG THR 143 1.264 -1.429 -14.949 1128 HG21 THR 143 3HG2 THR 143 3.975 -2.124 -15.383 1129 HG22 THR 143 1HG2 THR 143 4.148 -3.876 -15.310 1130 HG23 THR 143 2HG2 THR 143 3.998 -2.932 -13.825 1131 H ASP 144 H ASP 144 0.129 -5.161 -15.447 1132 HA ASP 144 HA ASP 144 -2.251 -3.525 -15.814 1133 HB2 ASP 144 2HB ASP 144 -2.233 -5.112 -17.706 1134 HB3 ASP 144 1HB ASP 144 -2.130 -6.454 -16.568 1135 H ILE 145 H ILE 145 -2.365 -3.037 -13.725 1136 HA ILE 145 HA ILE 145 -3.028 -5.206 -11.906 1137 HB ILE 145 HB ILE 145 -1.067 -2.900 -11.176 1138 HG12 ILE 145 2HG1 ILE 145 -0.537 -5.863 -11.409 1139 HG13 ILE 145 1HG1 ILE 145 -0.276 -4.755 -12.742 1140 HG21 ILE 145 1HG2 ILE 145 -2.005 -5.158 -9.502 1141 HG22 ILE 145 2HG2 ILE 145 -2.461 -3.464 -9.335 1142 HG23 ILE 145 3HG2 ILE 145 -0.782 -3.952 -9.110 1143 HD11 ILE 145 3HD1 ILE 145 1.018 -4.566 -10.057 1144 HD12 ILE 145 1HD1 ILE 145 1.328 -3.566 -11.475 1145 HD13 ILE 145 2HD1 ILE 145 1.738 -5.287 -11.504 1146 H LYS 146 H LYS 146 -4.575 -4.642 -10.375 1147 HA LYS 146 HA LYS 146 -6.407 -2.536 -10.995 1148 HB2 LYS 146 2HB LYS 146 -7.145 -4.705 -10.420 1149 HB3 LYS 146 1HB LYS 146 -6.184 -4.711 -8.963 1150 HG2 LYS 146 2HG LYS 146 -7.631 -2.778 -8.185 1151 HG3 LYS 146 1HG LYS 146 -8.655 -3.196 -9.581 1152 HD2 LYS 146 2HD LYS 146 -8.866 -5.399 -8.858 1153 HD3 LYS 146 1HD LYS 146 -7.717 -5.106 -7.539 1154 HE2 LYS 146 2HE LYS 146 -9.347 -3.520 -6.539 1155 HE3 LYS 146 1HE LYS 146 -10.500 -3.945 -7.801 1156 HZ1 LYS 146 3HZ LYS 146 -9.370 -5.809 -5.772 1157 HZ2 LYS 146 1HZ LYS 146 -10.441 -6.248 -6.999 1158 HZ3 LYS 146 2HZ LYS 146 -10.940 -5.197 -5.785 1159 H ILE 147 H ILE 147 -6.730 -0.752 -9.744 1160 HA ILE 147 HA ILE 147 -4.971 -0.365 -7.405 1161 HB ILE 147 HB ILE 147 -5.946 1.881 -9.167 1162 HG12 ILE 147 2HG1 ILE 147 -4.570 0.508 -10.663 1163 HG13 ILE 147 1HG1 ILE 147 -3.737 2.002 -10.280 1164 HG21 ILE 147 1HG2 ILE 147 -5.241 2.437 -6.915 1165 HG22 ILE 147 2HG2 ILE 147 -4.141 3.158 -8.102 1166 HG23 ILE 147 3HG2 ILE 147 -3.679 1.712 -7.200 1167 HD11 ILE 147 3HD1 ILE 147 -3.191 -0.703 -9.094 1168 HD12 ILE 147 1HD1 ILE 147 -2.292 0.792 -8.740 1169 HD13 ILE 147 2HD1 ILE 147 -2.282 0.113 -10.372 1170 H THR 148 H THR 148 -6.301 -0.182 -5.665 1171 HA THR 148 HA THR 148 -8.859 1.108 -6.156 1172 HB THR 148 HB THR 148 -8.405 -1.243 -4.303 1173 HG1 THR 148 1HG THR 148 -8.854 -0.985 -6.906 1174 HG21 THR 148 3HG2 THR 148 -10.933 0.220 -5.115 1175 HG22 THR 148 1HG2 THR 148 -10.163 0.317 -3.532 1176 HG23 THR 148 2HG2 THR 148 -10.854 -1.209 -4.086 1177 H VAL 149 H VAL 149 -9.022 2.886 -5.164 1178 HA VAL 149 HA VAL 149 -7.355 3.410 -2.843 1179 HB VAL 149 HB VAL 149 -8.755 5.305 -4.757 1180 HG11 VAL 149 1HG1 VAL 149 -8.689 6.246 -2.500 1181 HG12 VAL 149 2HG1 VAL 149 -7.588 7.099 -3.584 1182 HG13 VAL 149 3HG1 VAL 149 -6.951 5.939 -2.414 1183 HG21 VAL 149 3HG2 VAL 149 -6.792 4.196 -5.696 1184 HG22 VAL 149 1HG2 VAL 149 -5.826 4.733 -4.327 1185 HG23 VAL 149 2HG2 VAL 149 -6.495 5.917 -5.451 1186 H TYR 150 H TYR 150 -8.297 3.292 -1.016 1187 HA TYR 150 HA TYR 150 -11.180 3.484 -0.885 1188 HB2 TYR 150 2HB TYR 150 -9.191 2.474 1.141 1189 HB3 TYR 150 1HB TYR 150 -10.911 2.664 1.483 1190 HD1 TYR 150 2HD TYR 150 -12.570 1.253 0.361 1191 HD2 TYR 150 1HD TYR 150 -8.410 0.671 -0.289 1192 HE1 TYR 150 2HE TYR 150 -13.035 -0.932 -0.610 1193 HE2 TYR 150 1HE TYR 150 -8.883 -1.522 -1.265 1194 HH TYR 150 HH TYR 150 -10.535 -3.189 -1.303 1195 H THR 151 H THR 151 -12.085 5.237 -0.528 1196 HA THR 151 HA THR 151 -10.609 7.453 0.535 1197 HB THR 151 HB THR 151 -12.765 8.608 -0.260 1198 HG1 THR 151 1HG THR 151 -14.185 7.410 -1.241 1199 HG21 THR 151 3HG2 THR 151 -10.600 8.768 -1.432 1200 HG22 THR 151 1HG2 THR 151 -11.925 8.640 -2.590 1201 HG23 THR 151 2HG2 THR 151 -10.924 7.233 -2.233 1202 H LEU 152 H LEU 152 -10.773 8.006 2.544 1203 HA LEU 152 HA LEU 152 -13.140 8.450 3.916 1204 HB2 LEU 152 2HB LEU 152 -13.129 5.983 4.195 1205 HB3 LEU 152 1HB LEU 152 -11.518 6.065 4.872 1206 HG LEU 152 HG LEU 152 -12.386 7.309 6.815 1207 HD11 LEU 152 1HD1 LEU 152 -14.264 8.436 5.762 1208 HD12 LEU 152 2HD1 LEU 152 -14.796 7.515 7.166 1209 HD13 LEU 152 3HD1 LEU 152 -15.087 6.888 5.543 1210 HD21 LEU 152 3HD2 LEU 152 -13.631 5.477 7.839 1211 HD22 LEU 152 1HD2 LEU 152 -12.256 4.872 6.916 1212 HD23 LEU 152 2HD2 LEU 152 -13.886 4.752 6.252 Start of MODEL 12 1 H GLU 1 H GLU 1 -17.334 -5.217 15.368 2 HA GLU 1 HA GLU 1 -17.638 -3.607 12.922 3 HB2 GLU 1 2HB GLU 1 -15.225 -3.724 12.621 4 HB3 GLU 1 1HB GLU 1 -15.606 -2.974 14.162 5 HG2 GLU 1 2HG GLU 1 -15.127 -5.029 15.309 6 HG3 GLU 1 1HG GLU 1 -14.839 -5.839 13.771 7 H ALA 2 H ALA 2 -16.997 -4.657 10.957 8 HA ALA 2 HA ALA 2 -16.842 -7.567 11.092 9 HB1 ALA 2 1HB ALA 2 -19.161 -6.973 10.615 10 HB2 ALA 2 2HB ALA 2 -18.394 -7.709 9.208 11 HB3 ALA 2 3HB ALA 2 -18.632 -5.963 9.269 12 H SER 3 H SER 3 -15.774 -8.496 9.288 13 HA SER 3 HA SER 3 -14.026 -6.611 7.889 14 HB2 SER 3 2HB SER 3 -13.804 -9.631 8.150 15 HB3 SER 3 1HB SER 3 -12.616 -8.562 7.411 16 HG SER 3 HG SER 3 -13.159 -7.647 9.843 17 H SER 4 H SER 4 -16.922 -7.577 7.370 18 HA SER 4 HA SER 4 -16.554 -8.311 4.562 19 HB2 SER 4 2HB SER 4 -17.653 -10.073 5.913 20 HB3 SER 4 1HB SER 4 -18.866 -8.904 6.423 21 HG SER 4 HG SER 4 -18.366 -9.854 3.812 22 H LEU 5 H LEU 5 -17.557 -7.019 3.079 23 HA LEU 5 HA LEU 5 -19.611 -5.184 3.809 24 HB2 LEU 5 2HB LEU 5 -18.450 -3.159 3.069 25 HB3 LEU 5 1HB LEU 5 -17.627 -3.877 4.433 26 HG LEU 5 HG LEU 5 -16.656 -4.173 1.570 27 HD11 LEU 5 1HD1 LEU 5 -16.662 -1.824 2.211 28 HD12 LEU 5 2HD1 LEU 5 -15.018 -2.454 2.132 29 HD13 LEU 5 3HD1 LEU 5 -15.796 -2.222 3.698 30 HD21 LEU 5 3HD2 LEU 5 -15.859 -5.851 3.204 31 HD22 LEU 5 1HD2 LEU 5 -15.257 -4.544 4.210 32 HD23 LEU 5 2HD2 LEU 5 -14.555 -4.804 2.614 33 H ASN 6 H ASN 6 -19.572 -3.639 1.537 34 HA ASN 6 HA ASN 6 -19.328 -5.567 -0.602 35 HB2 ASN 6 2HB ASN 6 -21.195 -4.309 -1.798 36 HB3 ASN 6 1HB ASN 6 -21.702 -5.250 -0.414 37 HD21 ASN 6 1HD2 ASN 6 -23.564 -4.060 -0.163 38 HD22 ASN 6 2HD2 ASN 6 -23.563 -2.448 0.428 39 H GLU 7 H GLU 7 -18.149 -5.049 -2.244 40 HA GLU 7 HA GLU 7 -16.706 -2.525 -2.049 41 HB2 GLU 7 2HB GLU 7 -16.138 -4.937 -3.790 42 HB3 GLU 7 1HB GLU 7 -15.138 -3.508 -3.681 43 HG2 GLU 7 2HG GLU 7 -14.086 -5.194 -2.419 44 HG3 GLU 7 1HG GLU 7 -14.779 -4.040 -1.284 45 H ASP 8 H ASP 8 -15.949 -1.856 -4.411 46 HA ASP 8 HA ASP 8 -18.238 -1.963 -6.225 47 HB2 ASP 8 2HB ASP 8 -16.707 0.569 -5.573 48 HB3 ASP 8 1HB ASP 8 -17.823 0.348 -6.918 49 HA PRO 9 HA PRO 9 -14.443 -2.914 -8.511 50 HB2 PRO 9 2HB PRO 9 -15.675 -5.228 -9.588 51 HB3 PRO 9 1HB PRO 9 -14.473 -5.166 -8.296 52 HG2 PRO 9 2HG PRO 9 -17.135 -5.976 -8.002 53 HG3 PRO 9 1HG PRO 9 -16.046 -5.517 -6.688 54 HD2 PRO 9 2HD PRO 9 -18.159 -3.876 -8.042 55 HD3 PRO 9 1HD PRO 9 -17.651 -3.888 -6.340 56 H GLU 10 H GLU 10 -14.396 -3.729 -10.948 57 HA GLU 10 HA GLU 10 -14.779 -3.218 -13.123 58 HB2 GLU 10 2HB GLU 10 -16.877 -4.538 -12.617 59 HB3 GLU 10 1HB GLU 10 -17.688 -3.027 -12.246 60 HG2 GLU 10 2HG GLU 10 -18.268 -3.852 -14.465 61 HG3 GLU 10 1HG GLU 10 -17.423 -2.305 -14.552 62 H GLY 11 H GLY 11 -13.828 -1.204 -11.675 63 HA2 GLY 11 2HA GLY 11 -15.433 1.163 -12.333 64 HA3 GLY 11 1HA GLY 11 -14.148 1.116 -11.135 65 H SER 12 H SER 12 -11.954 0.971 -11.893 66 HA SER 12 HA SER 12 -11.401 1.512 -14.660 67 HB2 SER 12 2HB SER 12 -12.133 3.704 -13.722 68 HB3 SER 12 1HB SER 12 -10.863 3.592 -12.516 69 HG SER 12 HG SER 12 -10.588 4.705 -14.827 70 H ARG 13 H ARG 13 -8.796 2.469 -14.309 71 HA ARG 13 HA ARG 13 -7.375 0.192 -13.434 72 HB2 ARG 13 2HB ARG 13 -6.926 2.023 -15.234 73 HB3 ARG 13 1HB ARG 13 -6.299 2.964 -13.896 74 HG2 ARG 13 2HG ARG 13 -5.314 0.267 -14.726 75 HG3 ARG 13 1HG ARG 13 -4.644 1.827 -15.231 76 HD2 ARG 13 2HD ARG 13 -4.832 0.848 -12.382 77 HD3 ARG 13 1HD ARG 13 -3.353 0.839 -13.337 78 HE ARG 13 HE ARG 13 -4.571 3.386 -13.251 79 HH11 ARG 13 1HH1 ARG 13 -2.526 1.152 -11.545 80 HH12 ARG 13 2HH1 ARG 13 -1.722 2.357 -10.650 81 HH21 ARG 13 1HH2 ARG 13 -3.661 4.927 -12.176 82 HH22 ARG 13 2HH2 ARG 13 -2.423 4.721 -11.007 83 H ILE 14 H ILE 14 -7.804 3.526 -12.114 84 HA ILE 14 HA ILE 14 -7.261 2.473 -9.412 85 HB ILE 14 HB ILE 14 -7.794 5.336 -10.313 86 HG12 ILE 14 2HG1 ILE 14 -5.170 4.090 -9.457 87 HG13 ILE 14 1HG1 ILE 14 -5.596 4.546 -11.099 88 HG21 ILE 14 1HG2 ILE 14 -8.517 4.970 -8.009 89 HG22 ILE 14 2HG2 ILE 14 -7.099 6.003 -8.022 90 HG23 ILE 14 3HG2 ILE 14 -6.946 4.304 -7.599 91 HD11 ILE 14 3HD1 ILE 14 -5.243 6.479 -8.780 92 HD12 ILE 14 1HD1 ILE 14 -5.689 6.901 -10.423 93 HD13 ILE 14 2HD1 ILE 14 -4.114 6.220 -10.098 94 H THR 15 H THR 15 -8.942 2.049 -8.181 95 HA THR 15 HA THR 15 -11.584 3.009 -9.059 96 HB THR 15 HB THR 15 -10.913 0.278 -7.927 97 HG1 THR 15 1HG THR 15 -10.459 1.169 -10.219 98 HG21 THR 15 3HG2 THR 15 -13.194 1.055 -7.371 99 HG22 THR 15 1HG2 THR 15 -13.231 -0.275 -8.530 100 HG23 THR 15 2HG2 THR 15 -13.484 1.383 -9.077 101 H TYR 16 H TYR 16 -12.885 3.804 -7.450 102 HA TYR 16 HA TYR 16 -11.632 3.974 -4.813 103 HB2 TYR 16 2HB TYR 16 -13.721 5.748 -6.089 104 HB3 TYR 16 1HB TYR 16 -13.047 5.970 -4.478 105 HD1 TYR 16 2HD TYR 16 -10.744 6.773 -4.194 106 HD2 TYR 16 1HD TYR 16 -12.427 6.284 -8.072 107 HE1 TYR 16 2HE TYR 16 -8.926 8.108 -5.147 108 HE2 TYR 16 1HE TYR 16 -10.604 7.621 -9.034 109 HH TYR 16 HH TYR 16 -9.031 9.264 -8.351 110 H VAL 17 H VAL 17 -12.520 3.035 -3.149 111 HA VAL 17 HA VAL 17 -15.339 2.226 -3.270 112 HB VAL 17 HB VAL 17 -13.059 0.480 -2.245 113 HG11 VAL 17 1HG1 VAL 17 -14.757 -1.250 -1.914 114 HG12 VAL 17 2HG1 VAL 17 -16.003 -0.125 -2.440 115 HG13 VAL 17 3HG1 VAL 17 -15.121 0.182 -0.944 116 HG21 VAL 17 3HG2 VAL 17 -13.626 -1.044 -4.061 117 HG22 VAL 17 1HG2 VAL 17 -13.127 0.534 -4.680 118 HG23 VAL 17 2HG2 VAL 17 -14.838 0.095 -4.649 119 H LYS 18 H LYS 18 -16.394 2.361 -1.289 120 HA LYS 18 HA LYS 18 -14.878 3.732 0.745 121 HB2 LYS 18 2HB LYS 18 -17.067 4.504 1.630 122 HB3 LYS 18 1HB LYS 18 -16.714 5.124 0.037 123 HG2 LYS 18 2HG LYS 18 -18.631 2.847 0.637 124 HG3 LYS 18 1HG LYS 18 -19.097 4.533 0.435 125 HD2 LYS 18 2HD LYS 18 -18.238 4.459 -1.888 126 HD3 LYS 18 1HD LYS 18 -17.839 2.761 -1.687 127 HE2 LYS 18 2HE LYS 18 -20.211 2.289 -1.233 128 HE3 LYS 18 1HE LYS 18 -20.575 3.983 -1.550 129 HZ1 LYS 18 3HZ LYS 18 -20.957 2.705 -3.546 130 HZ2 LYS 18 1HZ LYS 18 -19.397 2.050 -3.481 131 HZ3 LYS 18 2HZ LYS 18 -19.602 3.682 -3.782 132 H GLY 19 H GLY 19 -14.226 2.559 2.405 133 HA2 GLY 19 2HA GLY 19 -15.835 1.101 4.052 134 HA3 GLY 19 1HA GLY 19 -15.251 -0.038 2.844 135 H ASP 20 H ASP 20 -14.434 -0.832 5.057 136 HA ASP 20 HA ASP 20 -12.119 0.504 6.129 137 HB2 ASP 20 2HB ASP 20 -13.612 -0.827 7.595 138 HB3 ASP 20 1HB ASP 20 -13.206 -2.264 6.675 139 H LEU 21 H LEU 21 -9.953 -0.165 5.984 140 HA LEU 21 HA LEU 21 -9.412 -1.542 3.505 141 HB2 LEU 21 2HB LEU 21 -8.429 0.623 3.950 142 HB3 LEU 21 1HB LEU 21 -7.561 -0.053 5.314 143 HG LEU 21 HG LEU 21 -6.291 -1.485 3.877 144 HD11 LEU 21 1HD1 LEU 21 -6.475 -1.300 1.425 145 HD12 LEU 21 2HD1 LEU 21 -7.887 -0.267 1.626 146 HD13 LEU 21 3HD1 LEU 21 -7.944 -1.958 2.144 147 HD21 LEU 21 3HD2 LEU 21 -5.183 0.253 2.518 148 HD22 LEU 21 1HD2 LEU 21 -5.456 0.666 4.238 149 HD23 LEU 21 2HD2 LEU 21 -6.551 1.279 2.988 150 H PHE 22 H PHE 22 -9.354 -2.342 6.877 151 HA PHE 22 HA PHE 22 -7.461 -4.480 6.416 152 HB2 PHE 22 2HB PHE 22 -9.184 -3.797 8.825 153 HB3 PHE 22 1HB PHE 22 -8.226 -5.268 8.753 154 HD1 PHE 22 1HD PHE 22 -5.707 -4.993 8.412 155 HD2 PHE 22 2HD PHE 22 -8.212 -1.763 9.666 156 HE1 PHE 22 1HE PHE 22 -3.757 -3.790 9.293 157 HE2 PHE 22 2HE PHE 22 -6.286 -0.592 10.504 158 HZ PHE 22 HZ PHE 22 -4.042 -1.587 10.338 159 H ALA 23 H ALA 23 -10.755 -3.854 6.153 160 HA ALA 23 HA ALA 23 -11.568 -6.626 5.999 161 HB1 ALA 23 1HB ALA 23 -12.993 -4.924 7.039 162 HB2 ALA 23 2HB ALA 23 -13.787 -5.722 5.678 163 HB3 ALA 23 3HB ALA 23 -13.119 -4.107 5.480 164 H CYS 24 H CYS 24 -9.790 -5.017 3.877 165 HA CYS 24 HA CYS 24 -11.416 -5.155 1.505 166 HB2 CYS 24 2HB CYS 24 -9.384 -4.472 0.315 167 HB3 CYS 24 1HB CYS 24 -9.659 -3.458 1.724 168 HG CYS 24 HG CYS 24 -7.529 -4.077 3.059 169 HA PRO 25 HA PRO 25 -10.778 -9.304 -0.013 170 HB2 PRO 25 2HB PRO 25 -9.611 -8.020 -2.446 171 HB3 PRO 25 1HB PRO 25 -10.858 -9.269 -2.330 172 HG2 PRO 25 2HG PRO 25 -11.546 -6.773 -2.864 173 HG3 PRO 25 1HG PRO 25 -12.514 -7.751 -1.742 174 HD2 PRO 25 2HD PRO 25 -10.586 -5.550 -1.157 175 HD3 PRO 25 1HD PRO 25 -12.105 -5.971 -0.342 176 H LYS 26 H LYS 26 -9.228 -10.789 0.089 177 HA LYS 26 HA LYS 26 -6.648 -10.039 0.927 178 HB2 LYS 26 2HB LYS 26 -7.826 -12.713 0.427 179 HB3 LYS 26 1HB LYS 26 -6.200 -12.440 1.062 180 HG2 LYS 26 2HG LYS 26 -7.173 -11.123 2.885 181 HG3 LYS 26 1HG LYS 26 -8.778 -11.517 2.277 182 HD2 LYS 26 2HD LYS 26 -8.229 -12.957 4.058 183 HD3 LYS 26 1HD LYS 26 -8.261 -13.830 2.492 184 HE2 LYS 26 2HE LYS 26 -5.826 -13.806 2.403 185 HE3 LYS 26 1HE LYS 26 -5.754 -12.874 3.896 186 HZ1 LYS 26 3HZ LYS 26 -5.267 -15.152 4.260 187 HZ2 LYS 26 1HZ LYS 26 -6.723 -15.653 3.585 188 HZ3 LYS 26 2HZ LYS 26 -6.721 -14.787 5.045 189 H THR 27 H THR 27 -7.937 -10.579 -2.097 190 HA THR 27 HA THR 27 -5.786 -11.830 -3.461 191 HB THR 27 HB THR 27 -7.101 -10.895 -5.422 192 HG1 THR 27 1HG THR 27 -8.184 -9.172 -4.271 193 HG21 THR 27 3HG2 THR 27 -8.916 -12.535 -5.107 194 HG22 THR 27 1HG2 THR 27 -8.524 -12.628 -3.392 195 HG23 THR 27 2HG2 THR 27 -7.366 -13.202 -4.593 196 H ASP 28 H ASP 28 -6.413 -8.755 -2.324 197 HA ASP 28 HA ASP 28 -4.693 -7.409 -4.260 198 HB2 ASP 28 2HB ASP 28 -6.616 -6.326 -2.191 199 HB3 ASP 28 1HB ASP 28 -5.623 -5.345 -3.261 200 H SER 29 H SER 29 -2.760 -6.658 -3.643 201 HA SER 29 HA SER 29 -2.005 -7.120 -0.902 202 HB2 SER 29 2HB SER 29 -0.402 -6.138 -3.285 203 HB3 SER 29 1HB SER 29 0.265 -6.422 -1.672 204 HG SER 29 HG SER 29 -1.219 -8.482 -2.784 205 H LEU 30 H LEU 30 -0.797 -5.141 0.173 206 HA LEU 30 HA LEU 30 -2.699 -2.945 -0.329 207 HB2 LEU 30 2HB LEU 30 -3.083 -4.657 1.601 208 HB3 LEU 30 1HB LEU 30 -1.769 -3.821 2.372 209 HG LEU 30 HG LEU 30 -4.363 -2.536 1.554 210 HD11 LEU 30 1HD1 LEU 30 -4.783 -4.210 3.173 211 HD12 LEU 30 2HD1 LEU 30 -4.867 -2.636 3.959 212 HD13 LEU 30 3HD1 LEU 30 -3.439 -3.652 4.169 213 HD21 LEU 30 3HD2 LEU 30 -2.075 -1.589 3.279 214 HD22 LEU 30 1HD2 LEU 30 -3.631 -0.760 3.139 215 HD23 LEU 30 2HD2 LEU 30 -2.602 -0.945 1.724 216 H ALA 31 H ALA 31 -1.849 -0.904 -0.067 217 HA ALA 31 HA ALA 31 1.033 -0.748 0.542 218 HB1 ALA 31 1HB ALA 31 -0.315 0.533 -1.822 219 HB2 ALA 31 2HB ALA 31 0.737 -0.877 -1.880 220 HB3 ALA 31 3HB ALA 31 1.388 0.689 -1.388 221 H HIS 32 H HIS 32 1.831 1.376 1.102 222 HA HIS 32 HA HIS 32 -0.078 3.533 1.710 223 HB2 HIS 32 2HB HIS 32 1.842 2.608 3.846 224 HB3 HIS 32 1HB HIS 32 0.482 3.724 3.934 225 HD1 HIS 32 1HD HIS 32 1.434 0.205 4.336 226 HD2 HIS 32 2HD HIS 32 -2.042 2.455 4.141 227 HE1 HIS 32 1HE HIS 32 -0.346 -1.262 5.259 228 HE2 HIS 32 2HE HIS 32 -2.469 0.023 4.904 229 H CYS 33 H CYS 33 1.199 5.540 2.169 230 HA CYS 33 HA CYS 33 3.989 5.299 1.336 231 HB2 CYS 33 2HB CYS 33 2.197 7.730 1.564 232 HB3 CYS 33 1HB CYS 33 3.869 7.745 1.011 233 HG CYS 33 HG CYS 33 2.548 5.596 -0.911 234 H ILE 34 H ILE 34 5.613 5.800 2.757 235 HA ILE 34 HA ILE 34 4.960 6.972 5.342 236 HB ILE 34 HB ILE 34 6.039 5.268 6.691 237 HG12 ILE 34 2HG1 ILE 34 6.464 3.662 4.180 238 HG13 ILE 34 1HG1 ILE 34 7.703 4.665 4.914 239 HG21 ILE 34 1HG2 ILE 34 3.678 4.927 6.199 240 HG22 ILE 34 2HG2 ILE 34 4.544 3.443 6.513 241 HG23 ILE 34 3HG2 ILE 34 4.118 3.876 4.842 242 HD11 ILE 34 3HD1 ILE 34 6.361 2.330 6.267 243 HD12 ILE 34 1HD1 ILE 34 7.632 3.343 6.942 244 HD13 ILE 34 2HD1 ILE 34 7.969 2.322 5.545 245 H SER 35 H SER 35 7.092 7.175 6.667 246 HA SER 35 HA SER 35 8.968 8.345 4.812 247 HB2 SER 35 2HB SER 35 9.816 9.532 6.730 248 HB3 SER 35 1HB SER 35 8.099 9.753 6.523 249 HG SER 35 HG SER 35 7.807 8.997 8.485 250 H GLU 36 H GLU 36 11.383 8.188 5.472 251 HA GLU 36 HA GLU 36 11.855 5.411 5.460 252 HB2 GLU 36 2HB GLU 36 14.260 5.930 4.909 253 HB3 GLU 36 1HB GLU 36 13.080 6.571 3.804 254 HG2 GLU 36 2HG GLU 36 14.609 8.251 4.013 255 HG3 GLU 36 1HG GLU 36 13.347 8.650 5.185 256 H ASP 37 H ASP 37 12.548 7.794 7.916 257 HA ASP 37 HA ASP 37 13.834 5.818 9.599 258 HB2 ASP 37 2HB ASP 37 12.531 8.421 10.392 259 HB3 ASP 37 1HB ASP 37 13.325 7.356 11.517 260 H CYS 38 H CYS 38 10.767 6.071 8.529 261 HA CYS 38 HA CYS 38 8.779 5.149 9.084 262 HB2 CYS 38 2HB CYS 38 10.355 3.847 11.334 263 HB3 CYS 38 1HB CYS 38 8.681 3.456 11.005 264 HG CYS 38 HG CYS 38 10.346 1.435 10.125 265 H ARG 39 H ARG 39 9.670 7.720 9.977 266 HA ARG 39 HA ARG 39 8.663 8.431 12.560 267 HB2 ARG 39 2HB ARG 39 8.682 10.141 10.043 268 HB3 ARG 39 1HB ARG 39 8.617 10.729 11.687 269 HG2 ARG 39 2HG ARG 39 10.929 9.323 10.411 270 HG3 ARG 39 1HG ARG 39 10.775 11.063 10.548 271 HD2 ARG 39 2HD ARG 39 10.789 10.876 12.997 272 HD3 ARG 39 1HD ARG 39 10.959 9.122 12.866 273 HE ARG 39 HE ARG 39 13.052 10.104 11.409 274 HH11 ARG 39 1HH1 ARG 39 12.035 10.638 14.756 275 HH12 ARG 39 2HH1 ARG 39 13.621 10.812 15.346 276 HH21 ARG 39 1HH2 ARG 39 15.161 10.325 12.178 277 HH22 ARG 39 2HH2 ARG 39 15.466 10.648 13.831 278 H MET 40 H MET 40 6.559 7.578 12.882 279 HA MET 40 HA MET 40 4.480 8.609 11.111 280 HB2 MET 40 2HB MET 40 4.760 5.696 11.885 281 HB3 MET 40 1HB MET 40 3.327 6.384 11.136 282 HG2 MET 40 2HG MET 40 4.675 7.015 9.180 283 HG3 MET 40 1HG MET 40 6.088 6.297 9.934 284 HE1 MET 40 3HE MET 40 6.443 3.655 10.186 285 HE2 MET 40 1HE MET 40 5.211 2.482 9.730 286 HE3 MET 40 2HE MET 40 4.968 3.496 11.163 287 H GLY 41 H GLY 41 3.504 9.933 12.480 288 HA2 GLY 41 2HA GLY 41 2.635 8.837 15.065 289 HA3 GLY 41 1HA GLY 41 2.784 10.547 14.679 290 H ALA 42 H ALA 42 1.492 9.711 11.974 291 HA ALA 42 HA ALA 42 -1.239 9.297 12.835 292 HB1 ALA 42 1HB ALA 42 -0.377 11.723 11.245 293 HB2 ALA 42 2HB ALA 42 -0.961 11.743 12.909 294 HB3 ALA 42 3HB ALA 42 -2.041 11.262 11.597 295 H GLY 43 H GLY 43 -2.662 9.076 10.868 296 HA2 GLY 43 2HA GLY 43 -2.864 8.554 8.562 297 HA3 GLY 43 1HA GLY 43 -1.160 8.120 8.549 298 H ILE 44 H ILE 44 -3.166 6.499 7.526 299 HA ILE 44 HA ILE 44 -4.060 4.475 9.257 300 HB ILE 44 HB ILE 44 -4.993 4.807 7.015 301 HG12 ILE 44 2HG1 ILE 44 -3.777 2.041 7.084 302 HG13 ILE 44 1HG1 ILE 44 -5.072 2.501 8.199 303 HG21 ILE 44 1HG2 ILE 44 -2.336 3.769 6.049 304 HG22 ILE 44 2HG2 ILE 44 -2.973 5.391 5.819 305 HG23 ILE 44 3HG2 ILE 44 -3.738 4.016 5.015 306 HD11 ILE 44 3HD1 ILE 44 -5.934 1.293 6.372 307 HD12 ILE 44 1HD1 ILE 44 -5.093 2.350 5.228 308 HD13 ILE 44 2HD1 ILE 44 -6.418 2.990 6.211 309 H ALA 45 H ALA 45 -0.926 5.094 8.107 310 HA ALA 45 HA ALA 45 0.142 2.483 8.108 311 HB1 ALA 45 1HB ALA 45 1.309 4.384 7.083 312 HB2 ALA 45 2HB ALA 45 2.322 3.563 8.265 313 HB3 ALA 45 3HB ALA 45 1.546 5.088 8.683 314 H VAL 46 H VAL 46 -0.609 4.751 10.648 315 HA VAL 46 HA VAL 46 0.914 3.576 12.694 316 HB VAL 46 HB VAL 46 -1.667 5.183 12.902 317 HG11 VAL 46 1HG1 VAL 46 0.366 4.558 15.051 318 HG12 VAL 46 2HG1 VAL 46 -1.256 3.869 14.946 319 HG13 VAL 46 3HG1 VAL 46 -1.042 5.596 15.227 320 HG21 VAL 46 3HG2 VAL 46 -0.182 7.050 13.434 321 HG22 VAL 46 1HG2 VAL 46 0.144 6.399 11.829 322 HG23 VAL 46 2HG2 VAL 46 1.219 6.010 13.175 323 H LEU 47 H LEU 47 -2.331 2.987 11.469 324 HA LEU 47 HA LEU 47 -3.172 1.082 13.359 325 HB2 LEU 47 2HB LEU 47 -3.910 1.480 10.461 326 HB3 LEU 47 1HB LEU 47 -4.664 0.271 11.479 327 HG LEU 47 HG LEU 47 -4.752 3.229 12.110 328 HD11 LEU 47 1HD1 LEU 47 -5.883 2.779 9.968 329 HD12 LEU 47 2HD1 LEU 47 -7.041 3.152 11.243 330 HD13 LEU 47 3HD1 LEU 47 -6.806 1.482 10.730 331 HD21 LEU 47 3HD2 LEU 47 -6.347 0.866 13.058 332 HD22 LEU 47 1HD2 LEU 47 -6.591 2.539 13.559 333 HD23 LEU 47 2HD2 LEU 47 -5.102 1.693 14.001 334 H PHE 48 H PHE 48 -1.228 0.788 10.458 335 HA PHE 48 HA PHE 48 -1.261 -2.064 10.583 336 HB2 PHE 48 2HB PHE 48 0.176 -0.124 8.811 337 HB3 PHE 48 1HB PHE 48 0.549 -1.846 8.778 338 HD1 PHE 48 2HD PHE 48 -2.373 0.468 8.595 339 HD2 PHE 48 1HD PHE 48 -0.628 -3.209 7.392 340 HE1 PHE 48 2HE PHE 48 -4.296 0.038 7.119 341 HE2 PHE 48 1HE PHE 48 -2.529 -3.649 5.928 342 HZ PHE 48 HZ PHE 48 -4.381 -2.012 5.792 343 H LYS 49 H LYS 49 0.944 0.435 11.605 344 HA LYS 49 HA LYS 49 2.939 -1.464 12.250 345 HB2 LYS 49 2HB LYS 49 4.200 0.304 13.248 346 HB3 LYS 49 1HB LYS 49 3.453 0.929 11.792 347 HG2 LYS 49 2HG LYS 49 3.272 2.695 13.299 348 HG3 LYS 49 1HG LYS 49 1.702 1.896 13.447 349 HD2 LYS 49 2HD LYS 49 2.424 0.738 15.423 350 HD3 LYS 49 1HD LYS 49 4.052 1.390 15.264 351 HE2 LYS 49 2HE LYS 49 3.114 3.673 15.550 352 HE3 LYS 49 1HE LYS 49 1.529 2.946 15.814 353 HZ1 LYS 49 3HZ LYS 49 2.597 3.438 17.924 354 HZ2 LYS 49 1HZ LYS 49 3.930 2.507 17.507 355 HZ3 LYS 49 2HZ LYS 49 2.434 1.790 17.752 356 H LYS 50 H LYS 50 0.231 -0.192 13.913 357 HA LYS 50 HA LYS 50 0.850 -1.288 16.436 358 HB2 LYS 50 2HB LYS 50 -1.746 -0.523 15.244 359 HB3 LYS 50 1HB LYS 50 -1.568 -1.079 16.906 360 HG2 LYS 50 2HG LYS 50 0.083 0.768 17.251 361 HG3 LYS 50 1HG LYS 50 -0.362 1.370 15.651 362 HD2 LYS 50 2HD LYS 50 -2.168 0.872 17.928 363 HD3 LYS 50 1HD LYS 50 -1.574 2.483 17.455 364 HE2 LYS 50 2HE LYS 50 -2.680 2.181 15.258 365 HE3 LYS 50 1HE LYS 50 -3.258 0.611 15.799 366 HZ1 LYS 50 3HZ LYS 50 -4.014 3.222 17.013 367 HZ2 LYS 50 1HZ LYS 50 -4.574 1.709 17.505 368 HZ3 LYS 50 2HZ LYS 50 -5.002 2.304 16.005 369 H LYS 51 H LYS 51 -1.122 -2.614 13.698 370 HA LYS 51 HA LYS 51 -1.723 -4.914 15.235 371 HB2 LYS 51 2HB LYS 51 -2.236 -4.310 12.347 372 HB3 LYS 51 1HB LYS 51 -2.801 -5.739 13.191 373 HG2 LYS 51 2HG LYS 51 -4.016 -4.231 14.777 374 HG3 LYS 51 1HG LYS 51 -3.574 -2.880 13.728 375 HD2 LYS 51 2HD LYS 51 -4.614 -4.041 11.865 376 HD3 LYS 51 1HD LYS 51 -5.140 -5.315 12.958 377 HE2 LYS 51 2HE LYS 51 -6.450 -3.574 14.263 378 HE3 LYS 51 1HE LYS 51 -5.992 -2.404 13.034 379 HZ1 LYS 51 3HZ LYS 51 -7.231 -3.717 11.414 380 HZ2 LYS 51 1HZ LYS 51 -8.194 -3.257 12.719 381 HZ3 LYS 51 2HZ LYS 51 -7.637 -4.840 12.602 382 H PHE 52 H PHE 52 0.505 -4.269 12.507 383 HA PHE 52 HA PHE 52 1.281 -7.083 12.625 384 HB2 PHE 52 2HB PHE 52 2.093 -4.953 10.640 385 HB3 PHE 52 1HB PHE 52 2.574 -6.640 10.569 386 HD1 PHE 52 2HD PHE 52 0.574 -8.347 10.599 387 HD2 PHE 52 1HD PHE 52 0.263 -4.278 9.421 388 HE1 PHE 52 2HE PHE 52 -1.452 -8.883 9.302 389 HE2 PHE 52 1HE PHE 52 -1.757 -4.802 8.126 390 HZ PHE 52 HZ PHE 52 -2.620 -7.106 8.068 391 H GLY 53 H GLY 53 2.437 -3.993 13.575 392 HA2 GLY 53 2HA GLY 53 4.287 -3.320 14.726 393 HA3 GLY 53 1HA GLY 53 4.366 -4.972 15.304 394 H GLY 54 H GLY 54 4.775 -3.952 11.966 395 HA2 GLY 54 2HA GLY 54 7.430 -5.214 12.047 396 HA3 GLY 54 1HA GLY 54 6.468 -4.958 10.600 397 H VAL 55 H VAL 55 7.477 -2.737 13.173 398 HA VAL 55 HA VAL 55 8.048 -0.686 11.278 399 HB VAL 55 HB VAL 55 8.744 -0.799 14.233 400 HG11 VAL 55 1HG1 VAL 55 8.864 1.640 14.086 401 HG12 VAL 55 2HG1 VAL 55 8.539 1.541 12.352 402 HG13 VAL 55 3HG1 VAL 55 10.034 0.864 13.009 403 HG21 VAL 55 3HG2 VAL 55 6.716 0.531 14.570 404 HG22 VAL 55 1HG2 VAL 55 6.342 -1.039 13.854 405 HG23 VAL 55 2HG2 VAL 55 6.355 0.416 12.850 406 H GLN 56 H GLN 56 10.013 -2.861 13.303 407 HA GLN 56 HA GLN 56 12.536 -1.892 12.488 408 HB2 GLN 56 2HB GLN 56 11.673 -4.465 13.614 409 HB3 GLN 56 1HB GLN 56 13.329 -3.953 13.338 410 HG2 GLN 56 2HG GLN 56 12.802 -1.939 14.769 411 HG3 GLN 56 1HG GLN 56 11.348 -2.817 15.269 412 HE21 GLN 56 1HE2 GLN 56 12.689 -5.337 14.888 413 HE22 GLN 56 2HE2 GLN 56 13.763 -5.481 16.201 414 H GLU 57 H GLU 57 10.485 -4.437 11.249 415 HA GLU 57 HA GLU 57 12.280 -5.446 9.476 416 HB2 GLU 57 2HB GLU 57 9.321 -5.190 9.293 417 HB3 GLU 57 1HB GLU 57 10.283 -6.033 8.085 418 HG2 GLU 57 2HG GLU 57 9.501 -7.629 9.531 419 HG3 GLU 57 1HG GLU 57 11.197 -7.426 9.905 420 H LEU 58 H LEU 58 10.175 -2.679 9.153 421 HA LEU 58 HA LEU 58 10.758 -2.068 6.453 422 HB2 LEU 58 2HB LEU 58 9.893 -0.230 8.678 423 HB3 LEU 58 1HB LEU 58 9.816 0.131 6.968 424 HG LEU 58 HG LEU 58 8.247 -2.022 8.374 425 HD11 LEU 58 1HD1 LEU 58 7.483 0.210 8.961 426 HD12 LEU 58 2HD1 LEU 58 6.317 -0.590 7.904 427 HD13 LEU 58 3HD1 LEU 58 7.401 0.641 7.257 428 HD21 LEU 58 3HD2 LEU 58 8.186 -1.070 5.523 429 HD22 LEU 58 1HD2 LEU 58 7.050 -2.210 6.243 430 HD23 LEU 58 2HD2 LEU 58 8.755 -2.642 6.088 431 H LEU 59 H LEU 59 12.231 -1.170 9.495 432 HA LEU 59 HA LEU 59 14.089 0.638 8.287 433 HB2 LEU 59 2HB LEU 59 13.942 -0.526 11.058 434 HB3 LEU 59 1HB LEU 59 15.190 0.598 10.554 435 HG LEU 59 HG LEU 59 12.219 1.246 10.575 436 HD11 LEU 59 1HD1 LEU 59 13.101 0.958 12.822 437 HD12 LEU 59 2HD1 LEU 59 12.749 2.650 12.465 438 HD13 LEU 59 3HD1 LEU 59 14.415 2.079 12.449 439 HD21 LEU 59 3HD2 LEU 59 14.660 2.947 10.100 440 HD22 LEU 59 1HD2 LEU 59 13.000 3.524 10.213 441 HD23 LEU 59 2HD2 LEU 59 13.478 2.476 8.882 442 H ASN 60 H ASN 60 14.236 -2.681 9.395 443 HA ASN 60 HA ASN 60 16.997 -2.957 8.795 444 HB2 ASN 60 2HB ASN 60 14.900 -5.044 9.330 445 HB3 ASN 60 1HB ASN 60 16.542 -5.487 8.865 446 HD21 ASN 60 1HD2 ASN 60 14.564 -4.054 11.328 447 HD22 ASN 60 2HD2 ASN 60 15.750 -4.080 12.578 448 H GLN 61 H GLN 61 14.250 -3.157 6.723 449 HA GLN 61 HA GLN 61 15.715 -4.353 4.530 450 HB2 GLN 61 2HB GLN 61 13.222 -2.622 4.480 451 HB3 GLN 61 1HB GLN 61 13.879 -3.463 3.094 452 HG2 GLN 61 2HG GLN 61 13.459 -5.599 4.190 453 HG3 GLN 61 1HG GLN 61 12.810 -4.743 5.586 454 HE21 GLN 61 1HE2 GLN 61 10.832 -5.666 5.388 455 HE22 GLN 61 2HE2 GLN 61 9.707 -5.308 4.130 456 H GLN 62 H GLN 62 15.623 -1.327 6.085 457 HA GLN 62 HA GLN 62 16.025 0.635 5.717 458 HB2 GLN 62 2HB GLN 62 18.202 -0.528 6.084 459 HB3 GLN 62 1HB GLN 62 18.492 -0.345 4.355 460 HG2 GLN 62 2HG GLN 62 18.165 2.035 4.557 461 HG3 GLN 62 1HG GLN 62 17.839 1.729 6.276 462 HE21 GLN 62 1HE2 GLN 62 19.589 3.188 6.801 463 HE22 GLN 62 2HE2 GLN 62 21.222 2.651 6.740 464 H LYS 63 H LYS 63 14.291 1.059 4.410 465 HA LYS 63 HA LYS 63 14.913 1.497 1.666 466 HB2 LYS 63 2HB LYS 63 12.464 2.388 1.760 467 HB3 LYS 63 1HB LYS 63 12.778 0.685 1.622 468 HG2 LYS 63 2HG LYS 63 11.039 1.249 3.159 469 HG3 LYS 63 1HG LYS 63 12.370 0.362 3.945 470 HD2 LYS 63 2HD LYS 63 13.158 2.410 4.867 471 HD3 LYS 63 1HD LYS 63 11.943 3.328 3.992 472 HE2 LYS 63 2HE LYS 63 10.181 1.970 5.265 473 HE3 LYS 63 1HE LYS 63 11.499 1.270 6.190 474 HZ1 LYS 63 3HZ LYS 63 10.559 2.989 7.461 475 HZ2 LYS 63 1HZ LYS 63 10.617 4.111 6.206 476 HZ3 LYS 63 2HZ LYS 63 12.040 3.556 6.943 477 H LYS 64 H LYS 64 14.478 3.379 0.667 478 HA LYS 64 HA LYS 64 15.170 5.712 2.326 479 HB2 LYS 64 2HB LYS 64 16.253 5.069 -0.421 480 HB3 LYS 64 1HB LYS 64 16.599 6.515 0.507 481 HG2 LYS 64 2HG LYS 64 17.383 3.706 1.261 482 HG3 LYS 64 1HG LYS 64 18.435 4.910 0.523 483 HD2 LYS 64 2HD LYS 64 18.092 6.362 2.495 484 HD3 LYS 64 1HD LYS 64 17.115 5.093 3.231 485 HE2 LYS 64 2HE LYS 64 19.406 5.035 4.080 486 HE3 LYS 64 1HE LYS 64 19.025 3.572 3.171 487 HZ1 LYS 64 3HZ LYS 64 20.558 5.905 2.155 488 HZ2 LYS 64 1HZ LYS 64 20.213 4.518 1.275 489 HZ3 LYS 64 2HZ LYS 64 21.219 4.432 2.612 490 H SER 65 H SER 65 14.838 7.731 0.958 491 HA SER 65 HA SER 65 12.174 7.861 0.204 492 HB2 SER 65 2HB SER 65 12.968 10.188 -0.584 493 HB3 SER 65 1HB SER 65 13.152 9.786 1.122 494 HG SER 65 HG SER 65 15.055 10.304 -0.767 495 H GLY 66 H GLY 66 11.263 7.115 -1.579 496 HA2 GLY 66 2HA GLY 66 10.987 7.089 -3.936 497 HA3 GLY 66 1HA GLY 66 12.730 7.241 -4.118 498 H GLU 67 H GLU 67 11.809 5.034 -1.698 499 HA GLU 67 HA GLU 67 11.974 2.809 -3.536 500 HB2 GLU 67 2HB GLU 67 13.579 3.189 -1.007 501 HB3 GLU 67 1HB GLU 67 13.454 1.653 -1.867 502 HG2 GLU 67 2HG GLU 67 14.450 2.604 -3.833 503 HG3 GLU 67 1HG GLU 67 14.452 4.202 -3.104 504 H VAL 68 H VAL 68 11.269 0.760 -2.441 505 HA VAL 68 HA VAL 68 9.013 1.446 -0.683 506 HB VAL 68 HB VAL 68 8.342 1.027 -3.046 507 HG11 VAL 68 1HG1 VAL 68 9.980 -0.641 -3.657 508 HG12 VAL 68 2HG1 VAL 68 8.340 -1.228 -3.954 509 HG13 VAL 68 3HG1 VAL 68 9.237 -1.791 -2.547 510 HG21 VAL 68 3HG2 VAL 68 6.523 -0.450 -2.593 511 HG22 VAL 68 1HG2 VAL 68 6.773 0.687 -1.246 512 HG23 VAL 68 2HG2 VAL 68 7.294 -1.004 -1.100 513 H ALA 69 H ALA 69 8.609 0.129 1.006 514 HA ALA 69 HA ALA 69 10.361 -2.207 1.380 515 HB1 ALA 69 1HB ALA 69 10.491 -0.594 3.191 516 HB2 ALA 69 2HB ALA 69 9.706 -2.062 3.768 517 HB3 ALA 69 3HB ALA 69 8.744 -0.634 3.396 518 H VAL 70 H VAL 70 9.436 -4.212 1.945 519 HA VAL 70 HA VAL 70 6.535 -4.371 1.404 520 HB VAL 70 HB VAL 70 8.576 -6.366 0.441 521 HG11 VAL 70 1HG1 VAL 70 5.636 -6.148 -0.139 522 HG12 VAL 70 2HG1 VAL 70 6.437 -7.371 0.848 523 HG13 VAL 70 3HG1 VAL 70 6.744 -7.299 -0.890 524 HG21 VAL 70 3HG2 VAL 70 7.125 -4.281 -1.201 525 HG22 VAL 70 1HG2 VAL 70 8.142 -5.562 -1.855 526 HG23 VAL 70 2HG2 VAL 70 8.853 -4.302 -0.847 527 H LEU 71 H LEU 71 5.457 -5.584 2.786 528 HA LEU 71 HA LEU 71 6.916 -7.483 4.533 529 HB2 LEU 71 2HB LEU 71 4.443 -5.904 5.276 530 HB3 LEU 71 1HB LEU 71 5.223 -7.085 6.275 531 HG LEU 71 HG LEU 71 6.379 -4.410 5.488 532 HD11 LEU 71 1HD1 LEU 71 6.180 -3.906 7.870 533 HD12 LEU 71 2HD1 LEU 71 5.434 -5.478 8.143 534 HD13 LEU 71 3HD1 LEU 71 4.608 -4.270 7.155 535 HD21 LEU 71 3HD2 LEU 71 8.155 -6.079 5.659 536 HD22 LEU 71 1HD2 LEU 71 7.547 -6.578 7.239 537 HD23 LEU 71 2HD2 LEU 71 8.210 -4.957 7.019 538 H LYS 72 H LYS 72 6.246 -9.544 4.237 539 HA LYS 72 HA LYS 72 3.584 -9.903 3.071 540 HB2 LYS 72 2HB LYS 72 5.408 -10.955 1.841 541 HB3 LYS 72 1HB LYS 72 5.859 -11.867 3.289 542 HG2 LYS 72 2HG LYS 72 3.749 -13.074 3.193 543 HG3 LYS 72 1HG LYS 72 3.244 -12.115 1.800 544 HD2 LYS 72 2HD LYS 72 5.175 -13.007 0.533 545 HD3 LYS 72 1HD LYS 72 5.592 -14.011 1.920 546 HE2 LYS 72 2HE LYS 72 3.494 -15.195 1.740 547 HE3 LYS 72 1HE LYS 72 2.974 -14.120 0.443 548 HZ1 LYS 72 3HZ LYS 72 4.777 -14.946 -0.919 549 HZ2 LYS 72 1HZ LYS 72 3.781 -16.216 -0.415 550 HZ3 LYS 72 2HZ LYS 72 5.284 -15.978 0.330 551 H ARG 73 H ARG 73 2.071 -10.804 4.177 552 HA ARG 73 HA ARG 73 2.780 -11.770 6.882 553 HB2 ARG 73 2HB ARG 73 0.259 -10.299 6.125 554 HB3 ARG 73 1HB ARG 73 0.630 -10.912 7.731 555 HG2 ARG 73 2HG ARG 73 2.105 -8.724 6.249 556 HG3 ARG 73 1HG ARG 73 1.033 -8.516 7.628 557 HD2 ARG 73 2HD ARG 73 3.659 -10.021 7.647 558 HD3 ARG 73 1HD ARG 73 3.407 -8.397 8.270 559 HE ARG 73 HE ARG 73 1.604 -10.095 9.560 560 HH11 ARG 73 1HH1 ARG 73 5.147 -9.705 9.388 561 HH12 ARG 73 2HH1 ARG 73 5.390 -10.215 10.988 562 HH21 ARG 73 1HH2 ARG 73 2.006 -10.797 11.766 563 HH22 ARG 73 2HH2 ARG 73 3.612 -10.831 12.343 564 H ASP 74 H ASP 74 -0.241 -11.873 5.049 565 HA ASP 74 HA ASP 74 -0.290 -14.764 5.582 566 HB2 ASP 74 2HB ASP 74 -2.168 -13.518 6.607 567 HB3 ASP 74 1HB ASP 74 -2.632 -12.904 5.029 568 H GLY 75 H GLY 75 -2.224 -13.009 3.220 569 HA2 GLY 75 2HA GLY 75 -0.775 -14.440 1.089 570 HA3 GLY 75 1HA GLY 75 -2.529 -14.280 1.102 571 H ARG 76 H ARG 76 -1.064 -11.500 2.327 572 HA ARG 76 HA ARG 76 -1.113 -10.258 -0.312 573 HB2 ARG 76 2HB ARG 76 -2.120 -8.282 0.678 574 HB3 ARG 76 1HB ARG 76 -3.146 -9.676 0.984 575 HG2 ARG 76 2HG ARG 76 -2.329 -9.812 3.256 576 HG3 ARG 76 1HG ARG 76 -1.204 -8.491 2.950 577 HD2 ARG 76 2HD ARG 76 -3.044 -7.606 4.098 578 HD3 ARG 76 1HD ARG 76 -3.153 -7.054 2.424 579 HE ARG 76 HE ARG 76 -4.764 -9.280 3.511 580 HH11 ARG 76 1HH1 ARG 76 -4.575 -6.427 1.388 581 HH12 ARG 76 2HH1 ARG 76 -6.249 -6.314 1.209 582 HH21 ARG 76 1HH2 ARG 76 -7.076 -9.076 3.241 583 HH22 ARG 76 2HH2 ARG 76 -7.703 -7.845 2.268 584 H TYR 77 H TYR 77 0.387 -8.601 -0.598 585 HA TYR 77 HA TYR 77 2.564 -8.542 1.343 586 HB2 TYR 77 2HB TYR 77 2.409 -7.620 -1.546 587 HB3 TYR 77 1HB TYR 77 3.828 -7.445 -0.525 588 HD1 TYR 77 2HD TYR 77 1.639 -9.909 -2.222 589 HD2 TYR 77 1HD TYR 77 5.300 -9.273 -0.149 590 HE1 TYR 77 2HE TYR 77 2.391 -12.157 -2.869 591 HE2 TYR 77 1HE TYR 77 6.057 -11.517 -0.794 592 HH TYR 77 HH TYR 77 4.442 -13.375 -3.142 593 H ILE 78 H ILE 78 3.083 -6.662 2.388 594 HA ILE 78 HA ILE 78 1.202 -4.448 2.014 595 HB ILE 78 HB ILE 78 3.179 -4.714 4.293 596 HG12 ILE 78 2HG1 ILE 78 1.835 -6.802 4.282 597 HG13 ILE 78 1HG1 ILE 78 1.460 -5.792 5.671 598 HG21 ILE 78 1HG2 ILE 78 0.500 -3.356 4.022 599 HG22 ILE 78 2HG2 ILE 78 2.076 -2.560 3.985 600 HG23 ILE 78 3HG2 ILE 78 1.503 -3.338 5.468 601 HD11 ILE 78 3HD1 ILE 78 -0.559 -5.033 4.552 602 HD12 ILE 78 1HD1 ILE 78 -0.509 -6.793 4.742 603 HD13 ILE 78 2HD1 ILE 78 -0.165 -6.060 3.165 604 H TYR 79 H TYR 79 1.968 -2.727 0.998 605 HA TYR 79 HA TYR 79 4.852 -2.458 0.615 606 HB2 TYR 79 2HB TYR 79 2.560 -1.297 -0.948 607 HB3 TYR 79 1HB TYR 79 4.250 -0.918 -1.239 608 HD1 TYR 79 1HD TYR 79 1.650 -3.475 -1.510 609 HD2 TYR 79 2HD TYR 79 5.716 -2.510 -2.233 610 HE1 TYR 79 1HE TYR 79 1.845 -5.430 -2.959 611 HE2 TYR 79 2HE TYR 79 5.935 -4.454 -3.680 612 HH TYR 79 HH TYR 79 3.262 -6.241 -4.769 613 H TYR 80 H TYR 80 5.907 -0.729 1.104 614 HA TYR 80 HA TYR 80 4.474 1.533 2.257 615 HB2 TYR 80 2HB TYR 80 6.987 0.217 3.277 616 HB3 TYR 80 1HB TYR 80 6.394 1.758 3.873 617 HD1 TYR 80 2HD TYR 80 5.724 -1.872 3.727 618 HD2 TYR 80 1HD TYR 80 4.589 1.833 5.481 619 HE1 TYR 80 2HE TYR 80 4.376 -3.060 5.383 620 HE2 TYR 80 1HE TYR 80 3.252 0.662 7.138 621 HH TYR 80 HH TYR 80 3.486 -2.672 7.632 622 H LEU 81 H LEU 81 4.641 2.824 0.524 623 HA LEU 81 HA LEU 81 6.996 3.180 -1.089 624 HB2 LEU 81 2HB LEU 81 4.447 4.795 -0.822 625 HB3 LEU 81 1HB LEU 81 5.652 5.028 -2.057 626 HG LEU 81 HG LEU 81 3.794 3.973 -3.018 627 HD11 LEU 81 1HD1 LEU 81 5.787 3.185 -3.946 628 HD12 LEU 81 2HD1 LEU 81 4.668 1.842 -3.836 629 HD13 LEU 81 3HD1 LEU 81 5.990 1.977 -2.675 630 HD21 LEU 81 3HD2 LEU 81 2.888 1.804 -2.346 631 HD22 LEU 81 1HD2 LEU 81 2.686 3.029 -1.089 632 HD23 LEU 81 2HD2 LEU 81 3.947 1.802 -0.937 633 H ILE 82 H ILE 82 8.678 4.378 -0.412 634 HA ILE 82 HA ILE 82 8.245 6.230 1.798 635 HB ILE 82 HB ILE 82 10.843 5.741 0.354 636 HG12 ILE 82 2HG1 ILE 82 10.044 3.584 1.199 637 HG13 ILE 82 1HG1 ILE 82 11.437 4.155 2.103 638 HG21 ILE 82 1HG2 ILE 82 11.851 6.577 2.383 639 HG22 ILE 82 2HG2 ILE 82 10.271 6.755 3.138 640 HG23 ILE 82 3HG2 ILE 82 10.703 7.762 1.755 641 HD11 ILE 82 3HD1 ILE 82 9.944 4.821 3.932 642 HD12 ILE 82 1HD1 ILE 82 9.878 3.120 3.502 643 HD13 ILE 82 2HD1 ILE 82 8.559 4.201 3.015 644 H THR 83 H THR 83 7.301 8.045 1.035 645 HA THR 83 HA THR 83 8.515 9.275 -1.295 646 HB THR 83 HB THR 83 6.470 10.829 -1.099 647 HG1 THR 83 1HG THR 83 4.912 8.904 -0.206 648 HG21 THR 83 3HG2 THR 83 6.819 9.263 -2.895 649 HG22 THR 83 1HG2 THR 83 5.125 9.257 -2.404 650 HG23 THR 83 2HG2 THR 83 6.189 7.933 -1.908 651 H LYS 84 H LYS 84 8.393 9.683 2.186 652 HA LYS 84 HA LYS 84 9.737 12.158 1.800 653 HB2 LYS 84 2HB LYS 84 8.535 12.987 3.841 654 HB3 LYS 84 1HB LYS 84 7.491 12.754 2.461 655 HG2 LYS 84 2HG LYS 84 6.612 10.706 3.438 656 HG3 LYS 84 1HG LYS 84 7.740 10.854 4.789 657 HD2 LYS 84 2HD LYS 84 6.709 13.006 5.407 658 HD3 LYS 84 1HD LYS 84 5.576 12.842 4.075 659 HE2 LYS 84 2HE LYS 84 5.803 10.906 6.386 660 HE3 LYS 84 1HE LYS 84 4.632 12.216 6.300 661 HZ1 LYS 84 3HZ LYS 84 3.693 11.186 4.326 662 HZ2 LYS 84 1HZ LYS 84 3.658 10.119 5.610 663 HZ3 LYS 84 2HZ LYS 84 4.787 9.935 4.374 664 H LYS 85 H LYS 85 11.600 12.124 2.854 665 HA LYS 85 HA LYS 85 12.592 9.805 4.078 666 HB2 LYS 85 2HB LYS 85 14.023 11.499 2.993 667 HB3 LYS 85 1HB LYS 85 13.611 12.668 4.228 668 HG2 LYS 85 2HG LYS 85 14.824 11.477 5.867 669 HG3 LYS 85 1HG LYS 85 15.094 10.098 4.790 670 HD2 LYS 85 2HD LYS 85 16.363 11.681 3.300 671 HD3 LYS 85 1HD LYS 85 16.209 12.892 4.569 672 HE2 LYS 85 2HE LYS 85 18.381 11.781 4.714 673 HE3 LYS 85 1HE LYS 85 17.401 11.413 6.127 674 HZ1 LYS 85 3HZ LYS 85 18.582 9.463 5.209 675 HZ2 LYS 85 1HZ LYS 85 17.716 9.615 3.783 676 HZ3 LYS 85 2HZ LYS 85 16.935 9.198 5.209 677 H ARG 86 H ARG 86 11.640 12.877 5.474 678 HA ARG 86 HA ARG 86 11.323 11.672 8.161 679 HB2 ARG 86 2HB ARG 86 11.489 14.553 7.265 680 HB3 ARG 86 1HB ARG 86 11.216 14.051 8.917 681 HG2 ARG 86 2HG ARG 86 13.671 13.349 7.338 682 HG3 ARG 86 1HG ARG 86 13.543 14.756 8.394 683 HD2 ARG 86 2HD ARG 86 13.017 13.330 10.234 684 HD3 ARG 86 1HD ARG 86 13.154 11.902 9.202 685 HE ARG 86 HE ARG 86 15.493 12.546 8.865 686 HH11 ARG 86 1HH1 ARG 86 13.843 13.800 11.746 687 HH12 ARG 86 2HH1 ARG 86 15.247 13.858 12.688 688 HH21 ARG 86 1HH2 ARG 86 17.430 12.653 10.198 689 HH22 ARG 86 2HH2 ARG 86 17.310 13.214 11.800 690 H ALA 87 H ALA 87 9.326 12.551 9.341 691 HA ALA 87 HA ALA 87 7.030 12.311 7.658 692 HB1 ALA 87 1HB ALA 87 7.007 11.507 9.988 693 HB2 ALA 87 2HB ALA 87 5.740 12.697 9.706 694 HB3 ALA 87 3HB ALA 87 7.207 13.162 10.561 695 H SER 88 H SER 88 8.996 14.830 8.760 696 HA SER 88 HA SER 88 7.118 16.939 8.104 697 HB2 SER 88 2HB SER 88 8.617 17.167 10.073 698 HB3 SER 88 1HB SER 88 10.016 17.059 9.017 699 HG SER 88 HG SER 88 8.274 19.008 8.229 700 H HIS 89 H HIS 89 8.639 14.894 6.142 701 HA HIS 89 HA HIS 89 9.705 16.933 4.386 702 HB2 HIS 89 2HB HIS 89 10.054 13.948 4.357 703 HB3 HIS 89 1HB HIS 89 10.313 14.870 2.905 704 HD1 HIS 89 1HD HIS 89 12.885 14.318 2.943 705 HD2 HIS 89 2HD HIS 89 11.454 16.378 6.228 706 HE1 HIS 89 1HE HIS 89 14.913 14.951 4.246 707 HE2 HIS 89 2HE HIS 89 14.025 16.504 6.021 708 H LYS 90 H LYS 90 9.145 17.132 2.427 709 HA LYS 90 HA LYS 90 6.307 16.802 1.887 710 HB2 LYS 90 2HB LYS 90 8.477 17.986 0.173 711 HB3 LYS 90 1HB LYS 90 6.751 18.159 -0.092 712 HG2 LYS 90 2HG LYS 90 6.572 19.451 1.980 713 HG3 LYS 90 1HG LYS 90 8.309 19.283 2.238 714 HD2 LYS 90 2HD LYS 90 6.989 20.639 -0.120 715 HD3 LYS 90 1HD LYS 90 7.749 21.456 1.244 716 HE2 LYS 90 2HE LYS 90 9.153 19.638 -0.738 717 HE3 LYS 90 1HE LYS 90 9.202 21.391 -0.736 718 HZ1 LYS 90 3HZ LYS 90 11.163 20.416 0.300 719 HZ2 LYS 90 1HZ LYS 90 10.216 19.699 1.507 720 HZ3 LYS 90 2HZ LYS 90 10.301 21.363 1.378 721 HA PRO 91 HA PRO 91 7.135 13.039 -0.626 722 HB2 PRO 91 2HB PRO 91 4.432 13.812 -1.608 723 HB3 PRO 91 1HB PRO 91 4.981 12.238 -1.030 724 HG2 PRO 91 2HG PRO 91 3.386 13.705 0.485 725 HG3 PRO 91 1HG PRO 91 4.748 12.835 1.212 726 HD2 PRO 91 2HD PRO 91 4.491 15.741 0.545 727 HD3 PRO 91 1HD PRO 91 5.218 14.969 1.972 728 H THR 92 H THR 92 7.988 13.026 -2.743 729 HA THR 92 HA THR 92 7.639 15.511 -4.154 730 HB THR 92 HB THR 92 9.963 14.684 -5.058 731 HG1 THR 92 1HG THR 92 10.866 13.711 -2.966 732 HG21 THR 92 3HG2 THR 92 11.087 15.900 -3.243 733 HG22 THR 92 1HG2 THR 92 9.631 15.789 -2.258 734 HG23 THR 92 2HG2 THR 92 9.625 16.753 -3.734 735 H TYR 93 H TYR 93 7.695 15.326 -6.428 736 HA TYR 93 HA TYR 93 6.160 13.150 -7.349 737 HB2 TYR 93 2HB TYR 93 7.491 15.424 -8.795 738 HB3 TYR 93 1HB TYR 93 6.520 14.214 -9.614 739 HD1 TYR 93 2HD TYR 93 4.107 13.976 -8.976 740 HD2 TYR 93 1HD TYR 93 6.456 17.271 -7.671 741 HE1 TYR 93 2HE TYR 93 2.070 15.227 -8.532 742 HE2 TYR 93 1HE TYR 93 4.412 18.551 -7.225 743 HH TYR 93 HH TYR 93 2.081 18.564 -8.023 744 H GLU 94 H GLU 94 9.589 13.986 -7.558 745 HA GLU 94 HA GLU 94 10.320 12.070 -9.472 746 HB2 GLU 94 2HB GLU 94 11.692 14.013 -8.803 747 HB3 GLU 94 1HB GLU 94 11.935 13.275 -7.227 748 HG2 GLU 94 2HG GLU 94 13.048 11.405 -8.269 749 HG3 GLU 94 1HG GLU 94 12.801 12.144 -9.854 750 H ASN 95 H ASN 95 10.338 12.085 -5.961 751 HA ASN 95 HA ASN 95 11.305 9.447 -5.644 752 HB2 ASN 95 2HB ASN 95 9.939 11.379 -3.820 753 HB3 ASN 95 1HB ASN 95 10.425 9.765 -3.256 754 HD21 ASN 95 1HD2 ASN 95 11.799 10.735 -1.774 755 HD22 ASN 95 2HD2 ASN 95 13.298 11.470 -2.257 756 H LEU 96 H LEU 96 8.062 10.889 -5.697 757 HA LEU 96 HA LEU 96 6.564 8.680 -5.042 758 HB2 LEU 96 2HB LEU 96 5.721 10.985 -5.432 759 HB3 LEU 96 1HB LEU 96 5.967 10.767 -7.143 760 HG LEU 96 HG LEU 96 4.217 9.018 -7.158 761 HD11 LEU 96 1HD1 LEU 96 4.440 8.253 -4.840 762 HD12 LEU 96 2HD1 LEU 96 2.784 8.744 -5.195 763 HD13 LEU 96 3HD1 LEU 96 3.838 9.810 -4.271 764 HD21 LEU 96 3HD2 LEU 96 3.684 11.352 -7.649 765 HD22 LEU 96 1HD2 LEU 96 3.355 11.644 -5.941 766 HD23 LEU 96 2HD2 LEU 96 2.340 10.535 -6.863 767 H GLN 97 H GLN 97 7.735 9.615 -8.338 768 HA GLN 97 HA GLN 97 6.750 7.483 -9.804 769 HB2 GLN 97 2HB GLN 97 9.433 8.825 -10.062 770 HB3 GLN 97 1HB GLN 97 8.682 7.803 -11.269 771 HG2 GLN 97 2HG GLN 97 6.899 9.421 -11.522 772 HG3 GLN 97 1HG GLN 97 7.654 10.389 -10.243 773 HE21 GLN 97 1HE2 GLN 97 7.113 10.943 -13.099 774 HE22 GLN 97 2HE2 GLN 97 8.641 11.434 -13.746 775 H LYS 98 H LYS 98 9.814 7.789 -8.156 776 HA LYS 98 HA LYS 98 10.881 5.297 -8.820 777 HB2 LYS 98 2HB LYS 98 11.389 6.916 -6.339 778 HB3 LYS 98 1HB LYS 98 12.305 5.498 -6.809 779 HG2 LYS 98 2HG LYS 98 13.003 6.686 -8.863 780 HG3 LYS 98 1HG LYS 98 12.133 8.111 -8.283 781 HD2 LYS 98 2HD LYS 98 14.519 8.289 -7.761 782 HD3 LYS 98 1HD LYS 98 13.559 8.173 -6.287 783 HE2 LYS 98 2HE LYS 98 14.111 5.801 -6.083 784 HE3 LYS 98 1HE LYS 98 15.024 5.862 -7.591 785 HZ1 LYS 98 3HZ LYS 98 15.674 7.349 -5.097 786 HZ2 LYS 98 1HZ LYS 98 16.573 7.367 -6.517 787 HZ3 LYS 98 2HZ LYS 98 16.421 5.942 -5.630 788 H SER 99 H SER 99 8.972 6.172 -5.953 789 HA SER 99 HA SER 99 9.066 3.599 -4.798 790 HB2 SER 99 2HB SER 99 7.205 4.403 -3.358 791 HB3 SER 99 1HB SER 99 8.536 5.533 -3.459 792 HG SER 99 HG SER 99 6.958 6.339 -5.361 793 H LEU 100 H LEU 100 6.618 5.052 -7.007 794 HA LEU 100 HA LEU 100 4.869 2.814 -7.116 795 HB2 LEU 100 2HB LEU 100 5.461 5.171 -8.889 796 HB3 LEU 100 1HB LEU 100 4.364 3.912 -9.401 797 HG LEU 100 HG LEU 100 3.376 6.002 -8.492 798 HD11 LEU 100 1HD1 LEU 100 1.605 4.758 -7.231 799 HD12 LEU 100 2HD1 LEU 100 2.703 3.383 -7.127 800 HD13 LEU 100 3HD1 LEU 100 2.115 3.927 -8.699 801 HD21 LEU 100 3HD2 LEU 100 3.118 6.203 -6.045 802 HD22 LEU 100 1HD2 LEU 100 4.795 6.380 -6.563 803 HD23 LEU 100 2HD2 LEU 100 4.252 4.867 -5.838 804 H GLU 101 H GLU 101 7.602 3.735 -9.197 805 HA GLU 101 HA GLU 101 7.477 1.610 -10.992 806 HB2 GLU 101 2HB GLU 101 9.812 3.113 -9.853 807 HB3 GLU 101 1HB GLU 101 10.003 1.889 -11.094 808 HG2 GLU 101 2HG GLU 101 8.261 4.286 -11.360 809 HG3 GLU 101 1HG GLU 101 9.965 4.244 -11.823 810 H ALA 102 H ALA 102 9.293 1.888 -8.051 811 HA ALA 102 HA ALA 102 10.374 -0.696 -7.902 812 HB1 ALA 102 1HB ALA 102 10.961 1.191 -6.341 813 HB2 ALA 102 2HB ALA 102 10.662 -0.355 -5.535 814 HB3 ALA 102 3HB ALA 102 9.425 0.872 -5.507 815 H MET 103 H MET 103 7.329 0.494 -6.554 816 HA MET 103 HA MET 103 6.469 -1.903 -5.477 817 HB2 MET 103 2HB MET 103 5.487 0.074 -4.674 818 HB3 MET 103 1HB MET 103 5.036 0.607 -6.284 819 HG2 MET 103 2HG MET 103 3.402 -0.816 -6.472 820 HG3 MET 103 1HG MET 103 3.858 -1.883 -5.100 821 HE1 MET 103 3HE MET 103 3.400 2.042 -5.585 822 HE2 MET 103 1HE MET 103 1.762 2.245 -4.964 823 HE3 MET 103 2HE MET 103 2.039 1.291 -6.424 824 H LYS 104 H LYS 104 5.712 -0.491 -8.690 825 HA LYS 104 HA LYS 104 3.994 -2.590 -9.365 826 HB2 LYS 104 2HB LYS 104 3.999 -1.649 -11.616 827 HB3 LYS 104 1HB LYS 104 3.853 -0.403 -10.402 828 HG2 LYS 104 2HG LYS 104 5.146 0.472 -12.038 829 HG3 LYS 104 1HG LYS 104 6.279 0.039 -10.758 830 HD2 LYS 104 2HD LYS 104 6.897 -1.979 -12.024 831 HD3 LYS 104 1HD LYS 104 5.689 -1.507 -13.242 832 HE2 LYS 104 2HE LYS 104 6.854 0.409 -13.816 833 HE3 LYS 104 1HE LYS 104 8.013 0.238 -12.488 834 HZ1 LYS 104 3HZ LYS 104 8.956 -0.394 -14.579 835 HZ2 LYS 104 1HZ LYS 104 7.760 -1.558 -14.855 836 HZ3 LYS 104 2HZ LYS 104 8.861 -1.738 -13.582 837 H SER 105 H SER 105 7.454 -2.194 -9.707 838 HA SER 105 HA SER 105 7.799 -4.403 -11.436 839 HB2 SER 105 2HB SER 105 9.795 -3.042 -9.618 840 HB3 SER 105 1HB SER 105 10.183 -4.157 -10.933 841 HG SER 105 HG SER 105 9.461 -1.525 -10.989 842 H HIS 106 H HIS 106 7.638 -4.072 -7.966 843 HA HIS 106 HA HIS 106 8.517 -6.776 -7.459 844 HB2 HIS 106 2HB HIS 106 8.682 -5.074 -5.686 845 HB3 HIS 106 1HB HIS 106 6.922 -4.925 -5.679 846 HD1 HIS 106 1HD HIS 106 5.834 -6.298 -3.916 847 HD2 HIS 106 2HD HIS 106 9.275 -7.993 -5.392 848 HE1 HIS 106 1HE HIS 106 6.107 -8.312 -2.577 849 HE2 HIS 106 2HE HIS 106 8.458 -9.072 -3.122 850 H CYS 107 H CYS 107 5.430 -5.209 -7.935 851 HA CYS 107 HA CYS 107 3.876 -7.421 -7.266 852 HB2 CYS 107 2HB CYS 107 3.324 -5.139 -9.151 853 HB3 CYS 107 1HB CYS 107 2.093 -6.264 -8.574 854 HG CYS 107 HG CYS 107 3.739 -3.831 -6.924 855 H LEU 108 H LEU 108 5.412 -6.419 -10.277 856 HA LEU 108 HA LEU 108 4.390 -8.284 -12.036 857 HB2 LEU 108 2HB LEU 108 7.179 -7.190 -11.862 858 HB3 LEU 108 1HB LEU 108 6.503 -8.023 -13.242 859 HG LEU 108 HG LEU 108 5.637 -5.362 -12.154 860 HD11 LEU 108 1HD1 LEU 108 7.026 -6.142 -14.701 861 HD12 LEU 108 2HD1 LEU 108 7.762 -5.346 -13.310 862 HD13 LEU 108 3HD1 LEU 108 6.526 -4.504 -14.256 863 HD21 LEU 108 3HD2 LEU 108 3.773 -6.605 -12.976 864 HD22 LEU 108 1HD2 LEU 108 4.621 -6.969 -14.481 865 HD23 LEU 108 2HD2 LEU 108 4.153 -5.297 -14.107 866 H LYS 109 H LYS 109 7.136 -8.577 -9.777 867 HA LYS 109 HA LYS 109 7.980 -11.083 -10.814 868 HB2 LYS 109 2HB LYS 109 8.529 -9.874 -8.119 869 HB3 LYS 109 1HB LYS 109 9.408 -11.214 -8.845 870 HG2 LYS 109 2HG LYS 109 9.925 -9.724 -10.723 871 HG3 LYS 109 1HG LYS 109 9.245 -8.400 -9.797 872 HD2 LYS 109 2HD LYS 109 10.838 -8.835 -7.961 873 HD3 LYS 109 1HD LYS 109 11.568 -10.117 -8.914 874 HE2 LYS 109 2HE LYS 109 12.906 -8.081 -9.069 875 HE3 LYS 109 1HE LYS 109 12.218 -8.493 -10.635 876 HZ1 LYS 109 3HZ LYS 109 12.041 -6.135 -10.175 877 HZ2 LYS 109 1HZ LYS 109 11.156 -6.436 -8.768 878 HZ3 LYS 109 2HZ LYS 109 10.521 -6.821 -10.300 879 H ASN 110 H ASN 110 5.643 -10.200 -8.653 880 HA ASN 110 HA ASN 110 5.370 -12.989 -7.671 881 HB2 ASN 110 2HB ASN 110 4.462 -10.447 -6.335 882 HB3 ASN 110 1HB ASN 110 4.070 -12.058 -5.739 883 HD21 ASN 110 1HD2 ASN 110 6.602 -9.758 -6.316 884 HD22 ASN 110 2HD2 ASN 110 7.791 -10.489 -5.310 885 H GLY 111 H GLY 111 4.030 -11.146 -9.928 886 HA2 GLY 111 2HA GLY 111 2.107 -11.358 -11.150 887 HA3 GLY 111 1HA GLY 111 1.773 -12.828 -10.240 888 H VAL 112 H VAL 112 2.172 -9.600 -8.946 889 HA VAL 112 HA VAL 112 -0.478 -9.807 -7.767 890 HB VAL 112 HB VAL 112 1.768 -7.848 -7.177 891 HG11 VAL 112 1HG1 VAL 112 -0.425 -6.857 -6.755 892 HG12 VAL 112 2HG1 VAL 112 0.428 -7.176 -5.242 893 HG13 VAL 112 3HG1 VAL 112 -0.869 -8.252 -5.767 894 HG21 VAL 112 3HG2 VAL 112 1.985 -9.077 -5.065 895 HG22 VAL 112 1HG2 VAL 112 2.268 -10.121 -6.468 896 HG23 VAL 112 2HG2 VAL 112 0.727 -10.190 -5.612 897 H THR 113 H THR 113 -2.002 -8.991 -8.875 898 HA THR 113 HA THR 113 -1.549 -6.616 -10.603 899 HB THR 113 HB THR 113 -3.472 -7.535 -11.895 900 HG1 THR 113 1HG THR 113 -4.212 -8.973 -10.078 901 HG21 THR 113 3HG2 THR 113 -1.168 -7.907 -12.638 902 HG22 THR 113 1HG2 THR 113 -2.170 -9.309 -13.016 903 HG23 THR 113 2HG2 THR 113 -1.071 -9.353 -11.636 904 H ASP 114 H ASP 114 -2.544 -7.166 -7.700 905 HA ASP 114 HA ASP 114 -4.860 -5.397 -7.932 906 HB2 ASP 114 2HB ASP 114 -4.808 -7.929 -6.256 907 HB3 ASP 114 1HB ASP 114 -6.111 -6.759 -6.326 908 H LEU 115 H LEU 115 -4.526 -3.748 -6.636 909 HA LEU 115 HA LEU 115 -3.027 -4.108 -4.137 910 HB2 LEU 115 2HB LEU 115 -2.739 -1.885 -6.137 911 HB3 LEU 115 1HB LEU 115 -2.070 -1.830 -4.520 912 HG LEU 115 HG LEU 115 -1.322 -3.860 -6.614 913 HD11 LEU 115 1HD1 LEU 115 0.785 -2.570 -6.783 914 HD12 LEU 115 2HD1 LEU 115 0.142 -1.381 -5.651 915 HD13 LEU 115 3HD1 LEU 115 -0.598 -1.579 -7.239 916 HD21 LEU 115 3HD2 LEU 115 0.533 -4.359 -5.103 917 HD22 LEU 115 1HD2 LEU 115 -1.034 -4.636 -4.349 918 HD23 LEU 115 2HD2 LEU 115 -0.104 -3.194 -3.940 919 H SER 116 H SER 116 -3.682 -2.843 -2.417 920 HA SER 116 HA SER 116 -6.063 -1.252 -2.840 921 HB2 SER 116 2HB SER 116 -6.826 -2.217 -0.625 922 HB3 SER 116 1HB SER 116 -6.835 -3.350 -1.978 923 HG SER 116 HG SER 116 -4.760 -4.051 -1.230 924 H MET 117 H MET 117 -5.981 0.683 -1.829 925 HA MET 117 HA MET 117 -4.324 1.091 0.476 926 HB2 MET 117 2HB MET 117 -3.073 2.976 -0.471 927 HB3 MET 117 1HB MET 117 -2.760 1.558 -1.430 928 HG2 MET 117 2HG MET 117 -4.390 2.324 -3.125 929 HG3 MET 117 1HG MET 117 -4.671 3.781 -2.176 930 HE1 MET 117 3HE MET 117 -0.700 2.753 -4.302 931 HE2 MET 117 1HE MET 117 -2.127 1.723 -4.351 932 HE3 MET 117 2HE MET 117 -1.237 1.930 -2.841 933 HA PRO 118 HA PRO 118 -7.807 3.815 0.800 934 HB2 PRO 118 2HB PRO 118 -7.192 5.274 2.910 935 HB3 PRO 118 1HB PRO 118 -7.364 3.520 3.085 936 HG2 PRO 118 2HG PRO 118 -4.884 5.172 2.962 937 HG3 PRO 118 1HG PRO 118 -5.255 3.720 3.909 938 HD2 PRO 118 2HD PRO 118 -3.835 3.782 1.472 939 HD3 PRO 118 1HD PRO 118 -4.500 2.346 2.266 940 H ARG 119 H ARG 119 -8.102 6.278 1.318 941 HA ARG 119 HA ARG 119 -6.768 7.748 -0.697 942 HB2 ARG 119 2HB ARG 119 -7.992 9.747 0.237 943 HB3 ARG 119 1HB ARG 119 -9.023 8.402 -0.216 944 HG2 ARG 119 2HG ARG 119 -9.148 7.744 2.157 945 HG3 ARG 119 1HG ARG 119 -8.164 9.147 2.570 946 HD2 ARG 119 2HD ARG 119 -10.833 9.249 1.176 947 HD3 ARG 119 1HD ARG 119 -10.581 9.537 2.894 948 HE ARG 119 HE ARG 119 -8.937 11.323 1.830 949 HH11 ARG 119 1HH1 ARG 119 -12.291 10.552 0.914 950 HH12 ARG 119 2HH1 ARG 119 -12.667 12.161 0.528 951 HH21 ARG 119 1HH2 ARG 119 -9.495 13.492 1.303 952 HH22 ARG 119 2HH2 ARG 119 -11.083 13.871 0.770 953 H ILE 120 H ILE 120 -4.704 7.564 -0.322 954 HA ILE 120 HA ILE 120 -3.442 8.497 2.122 955 HB ILE 120 HB ILE 120 -1.324 7.826 0.960 956 HG12 ILE 120 2HG1 ILE 120 -3.255 6.996 -1.228 957 HG13 ILE 120 1HG1 ILE 120 -1.983 8.205 -1.333 958 HG21 ILE 120 1HG2 ILE 120 -2.468 6.266 2.429 959 HG22 ILE 120 2HG2 ILE 120 -1.772 5.405 1.052 960 HG23 ILE 120 3HG2 ILE 120 -3.498 5.759 1.090 961 HD11 ILE 120 3HD1 ILE 120 -1.362 6.189 -2.479 962 HD12 ILE 120 1HD1 ILE 120 -1.664 5.232 -1.061 963 HD13 ILE 120 2HD1 ILE 120 -0.306 6.386 -1.070 964 H GLY 121 H GLY 121 -4.715 10.020 -0.377 965 HA2 GLY 121 2HA GLY 121 -3.210 12.363 0.098 966 HA3 GLY 121 1HA GLY 121 -2.916 11.686 -1.501 967 H CYS 122 H CYS 122 -4.145 14.142 -0.767 968 HA CYS 122 HA CYS 122 -6.313 14.078 -2.609 969 HB2 CYS 122 2HB CYS 122 -7.509 13.470 -0.500 970 HB3 CYS 122 1HB CYS 122 -6.843 14.898 0.280 971 HG CYS 122 HG CYS 122 -8.544 16.625 -0.615 972 H GLY 123 H GLY 123 -5.346 16.103 0.122 973 HA2 GLY 123 2HA GLY 123 -4.032 17.915 -1.745 974 HA3 GLY 123 1HA GLY 123 -5.135 18.520 -0.498 975 H LEU 124 H LEU 124 -2.101 16.946 -1.095 976 HA LEU 124 HA LEU 124 -1.524 16.522 1.668 977 HB2 LEU 124 2HB LEU 124 0.372 16.501 -0.702 978 HB3 LEU 124 1HB LEU 124 0.795 15.999 0.917 979 HG LEU 124 HG LEU 124 -0.977 14.190 0.683 980 HD11 LEU 124 1HD1 LEU 124 -0.846 14.944 -2.223 981 HD12 LEU 124 2HD1 LEU 124 -2.249 15.044 -1.162 982 HD13 LEU 124 3HD1 LEU 124 -1.572 13.471 -1.574 983 HD21 LEU 124 3HD2 LEU 124 1.430 14.112 -1.127 984 HD22 LEU 124 1HD2 LEU 124 0.492 12.712 -0.614 985 HD23 LEU 124 2HD2 LEU 124 1.363 13.669 0.580 986 H ASP 125 H ASP 125 -0.202 18.696 -0.763 987 HA ASP 125 HA ASP 125 -0.559 21.041 0.543 988 HB2 ASP 125 2HB ASP 125 1.100 20.135 2.251 989 HB3 ASP 125 1HB ASP 125 2.322 20.176 0.985 990 H ARG 126 H ARG 126 2.548 19.964 -0.849 991 HA ARG 126 HA ARG 126 2.213 21.863 -2.982 992 HB2 ARG 126 2HB ARG 126 4.395 19.878 -2.368 993 HB3 ARG 126 1HB ARG 126 4.316 20.627 -3.940 994 HG2 ARG 126 2HG ARG 126 5.935 21.760 -2.531 995 HG3 ARG 126 1HG ARG 126 4.603 22.834 -2.911 996 HD2 ARG 126 2HD ARG 126 3.687 22.534 -0.694 997 HD3 ARG 126 1HD ARG 126 4.910 21.321 -0.313 998 HE ARG 126 HE ARG 126 6.305 23.551 -1.071 999 HH11 ARG 126 1HH1 ARG 126 3.842 23.068 1.400 1000 HH12 ARG 126 2HH1 ARG 126 4.586 24.015 2.597 1001 HH21 ARG 126 1HH2 ARG 126 7.350 24.924 0.552 1002 HH22 ARG 126 2HH2 ARG 126 6.628 25.120 2.089 1003 H LEU 127 H LEU 127 1.741 18.477 -2.571 1004 HA LEU 127 HA LEU 127 1.018 18.350 -5.375 1005 HB2 LEU 127 2HB LEU 127 1.294 15.902 -5.364 1006 HB3 LEU 127 1HB LEU 127 2.772 16.776 -5.067 1007 HG LEU 127 HG LEU 127 1.164 15.430 -2.887 1008 HD11 LEU 127 1HD1 LEU 127 2.833 13.638 -3.051 1009 HD12 LEU 127 2HD1 LEU 127 3.585 14.469 -4.416 1010 HD13 LEU 127 3HD1 LEU 127 1.950 13.821 -4.570 1011 HD21 LEU 127 3HD2 LEU 127 2.677 17.214 -2.197 1012 HD22 LEU 127 1HD2 LEU 127 3.992 16.415 -3.050 1013 HD23 LEU 127 2HD2 LEU 127 3.260 15.635 -1.641 1014 H GLN 128 H GLN 128 -0.742 17.125 -6.039 1015 HA GLN 128 HA GLN 128 -2.923 17.021 -4.058 1016 HB2 GLN 128 2HB GLN 128 -3.124 17.593 -7.026 1017 HB3 GLN 128 1HB GLN 128 -4.429 17.642 -5.850 1018 HG2 GLN 128 2HG GLN 128 -2.073 19.485 -5.962 1019 HG3 GLN 128 1HG GLN 128 -3.715 19.849 -6.486 1020 HE21 GLN 128 1HE2 GLN 128 -2.065 21.132 -4.481 1021 HE22 GLN 128 2HE2 GLN 128 -2.926 21.077 -2.987 1022 H TRP 129 H TRP 129 -4.548 15.357 -4.608 1023 HA TRP 129 HA TRP 129 -3.266 12.902 -5.190 1024 HB2 TRP 129 2HB TRP 129 -5.113 12.875 -3.666 1025 HB3 TRP 129 1HB TRP 129 -6.220 13.490 -4.903 1026 HD1 TRP 129 HD TRP 129 -7.458 11.704 -6.305 1027 HE1 TRP 129 1HE TRP 129 -7.311 9.169 -6.580 1028 HE3 TRP 129 3HE TRP 129 -3.234 10.861 -3.558 1029 HZ2 TRP 129 2HZ TRP 129 -5.597 7.047 -5.718 1030 HZ3 TRP 129 3HZ TRP 129 -2.413 8.555 -3.342 1031 HH2 TRP 129 HH TRP 129 -3.580 6.693 -4.405 1032 H GLU 130 H GLU 130 -5.215 15.009 -7.142 1033 HA GLU 130 HA GLU 130 -5.689 13.257 -9.264 1034 HB2 GLU 130 2HB GLU 130 -6.893 15.380 -8.991 1035 HB3 GLU 130 1HB GLU 130 -5.415 16.276 -9.245 1036 HG2 GLU 130 2HG GLU 130 -6.569 14.524 -11.400 1037 HG3 GLU 130 1HG GLU 130 -7.172 16.151 -11.128 1038 H ASN 131 H ASN 131 -2.956 15.339 -8.556 1039 HA ASN 131 HA ASN 131 -1.542 14.781 -10.974 1040 HB2 ASN 131 2HB ASN 131 -0.325 15.578 -8.308 1041 HB3 ASN 131 1HB ASN 131 0.420 15.733 -9.891 1042 HD21 ASN 131 1HD2 ASN 131 0.046 17.786 -7.982 1043 HD22 ASN 131 2HD2 ASN 131 -1.004 18.966 -8.697 1044 H VAL 132 H VAL 132 -1.578 13.371 -7.766 1045 HA VAL 132 HA VAL 132 0.484 11.484 -8.124 1046 HB VAL 132 HB VAL 132 -1.932 11.355 -6.284 1047 HG11 VAL 132 1HG1 VAL 132 -0.937 9.156 -6.569 1048 HG12 VAL 132 2HG1 VAL 132 -0.626 9.774 -4.947 1049 HG13 VAL 132 3HG1 VAL 132 0.655 9.792 -6.154 1050 HG21 VAL 132 3HG2 VAL 132 -0.379 12.181 -4.564 1051 HG22 VAL 132 1HG2 VAL 132 -0.569 13.326 -5.894 1052 HG23 VAL 132 2HG2 VAL 132 0.877 12.328 -5.799 1053 H SER 133 H SER 133 -3.086 11.115 -8.418 1054 HA SER 133 HA SER 133 -3.263 8.543 -9.225 1055 HB2 SER 133 2HB SER 133 -5.175 9.882 -8.626 1056 HB3 SER 133 1HB SER 133 -4.892 11.007 -9.940 1057 HG SER 133 HG SER 133 -6.420 8.893 -9.983 1058 H ALA 134 H ALA 134 -2.727 11.468 -11.202 1059 HA ALA 134 HA ALA 134 -2.695 10.287 -13.721 1060 HB1 ALA 134 1HB ALA 134 -2.724 12.722 -13.348 1061 HB2 ALA 134 2HB ALA 134 -1.432 12.242 -14.445 1062 HB3 ALA 134 3HB ALA 134 -1.062 12.637 -12.769 1063 H MET 135 H MET 135 0.036 10.944 -11.566 1064 HA MET 135 HA MET 135 2.022 9.783 -13.164 1065 HB2 MET 135 2HB MET 135 2.572 11.240 -11.300 1066 HB3 MET 135 1HB MET 135 1.944 10.054 -10.165 1067 HG2 MET 135 2HG MET 135 3.659 8.459 -10.884 1068 HG3 MET 135 1HG MET 135 4.311 9.667 -11.985 1069 HE1 MET 135 3HE MET 135 5.611 12.341 -9.471 1070 HE2 MET 135 1HE MET 135 4.022 12.327 -10.252 1071 HE3 MET 135 2HE MET 135 5.478 11.919 -11.178 1072 H ILE 136 H ILE 136 -0.044 8.374 -10.675 1073 HA ILE 136 HA ILE 136 1.255 5.871 -10.649 1074 HB ILE 136 HB ILE 136 -1.681 6.406 -9.990 1075 HG12 ILE 136 2HG1 ILE 136 0.750 6.369 -8.182 1076 HG13 ILE 136 1HG1 ILE 136 -0.160 7.792 -8.651 1077 HG21 ILE 136 1HG2 ILE 136 -1.537 4.360 -8.664 1078 HG22 ILE 136 2HG2 ILE 136 0.157 4.184 -9.094 1079 HG23 ILE 136 3HG2 ILE 136 -1.075 4.000 -10.332 1080 HD11 ILE 136 3HD1 ILE 136 -1.245 5.493 -7.040 1081 HD12 ILE 136 1HD1 ILE 136 -2.121 6.960 -7.488 1082 HD13 ILE 136 2HD1 ILE 136 -0.735 7.058 -6.401 1083 H GLU 137 H GLU 137 -1.373 7.187 -12.616 1084 HA GLU 137 HA GLU 137 -2.015 4.909 -14.154 1085 HB2 GLU 137 2HB GLU 137 -1.969 7.854 -14.870 1086 HB3 GLU 137 1HB GLU 137 -2.608 6.627 -15.934 1087 HG2 GLU 137 2HG GLU 137 -3.653 7.210 -13.179 1088 HG3 GLU 137 1HG GLU 137 -4.317 7.914 -14.645 1089 H GLU 138 H GLU 138 0.303 7.542 -14.660 1090 HA GLU 138 HA GLU 138 1.403 6.760 -17.087 1091 HB2 GLU 138 2HB GLU 138 2.884 8.167 -14.851 1092 HB3 GLU 138 1HB GLU 138 3.310 8.188 -16.553 1093 HG2 GLU 138 2HG GLU 138 1.067 9.319 -16.976 1094 HG3 GLU 138 1HG GLU 138 0.931 9.440 -15.220 1095 H VAL 139 H VAL 139 2.504 5.940 -13.829 1096 HA VAL 139 HA VAL 139 4.694 4.360 -14.689 1097 HB VAL 139 HB VAL 139 3.246 4.389 -12.020 1098 HG11 VAL 139 1HG1 VAL 139 4.348 2.207 -12.375 1099 HG12 VAL 139 2HG1 VAL 139 5.165 3.133 -11.114 1100 HG13 VAL 139 3HG1 VAL 139 5.853 3.024 -12.730 1101 HG21 VAL 139 3HG2 VAL 139 5.225 5.641 -11.265 1102 HG22 VAL 139 1HG2 VAL 139 4.434 6.477 -12.600 1103 HG23 VAL 139 2HG2 VAL 139 5.909 5.558 -12.879 1104 H PHE 140 H PHE 140 1.418 3.432 -13.670 1105 HA PHE 140 HA PHE 140 2.001 0.665 -14.090 1106 HB2 PHE 140 2HB PHE 140 -0.435 2.075 -13.144 1107 HB3 PHE 140 1HB PHE 140 -0.509 0.394 -13.641 1108 HD1 PHE 140 2HD PHE 140 0.689 -1.332 -12.389 1109 HD2 PHE 140 1HD PHE 140 0.642 2.722 -11.084 1110 HE1 PHE 140 2HE PHE 140 1.354 -2.038 -10.165 1111 HE2 PHE 140 1HE PHE 140 1.337 1.974 -8.837 1112 HZ PHE 140 HZ PHE 140 1.668 -0.477 -8.423 1113 H GLU 141 H GLU 141 0.969 3.035 -16.256 1114 HA GLU 141 HA GLU 141 -0.953 1.990 -17.779 1115 HB2 GLU 141 2HB GLU 141 0.047 4.159 -18.116 1116 HB3 GLU 141 1HB GLU 141 1.522 3.411 -18.709 1117 HG2 GLU 141 2HG GLU 141 0.315 2.490 -20.570 1118 HG3 GLU 141 1HG GLU 141 -1.174 3.215 -19.948 1119 H ALA 142 H ALA 142 2.391 0.976 -18.016 1120 HA ALA 142 HA ALA 142 1.806 -0.766 -20.266 1121 HB1 ALA 142 1HB ALA 142 4.148 -1.362 -20.250 1122 HB2 ALA 142 2HB ALA 142 4.359 -0.565 -18.690 1123 HB3 ALA 142 3HB ALA 142 3.964 0.390 -20.118 1124 H THR 143 H THR 143 1.362 -1.088 -17.030 1125 HA THR 143 HA THR 143 1.633 -4.010 -17.150 1126 HB THR 143 HB THR 143 1.762 -3.942 -14.654 1127 HG1 THR 143 1HG THR 143 0.954 -1.402 -15.068 1128 HG21 THR 143 3HG2 THR 143 3.778 -2.092 -15.951 1129 HG22 THR 143 1HG2 THR 143 3.894 -3.857 -15.902 1130 HG23 THR 143 2HG2 THR 143 3.970 -2.900 -14.409 1131 H ASP 144 H ASP 144 -0.139 -5.041 -15.596 1132 HA ASP 144 HA ASP 144 -2.410 -3.283 -15.507 1133 HB2 ASP 144 2HB ASP 144 -4.046 -5.066 -16.090 1134 HB3 ASP 144 1HB ASP 144 -2.942 -4.721 -17.401 1135 H ILE 145 H ILE 145 -1.941 -2.778 -13.505 1136 HA ILE 145 HA ILE 145 -2.611 -4.845 -11.565 1137 HB ILE 145 HB ILE 145 -0.536 -2.614 -11.077 1138 HG12 ILE 145 2HG1 ILE 145 -0.104 -5.597 -11.444 1139 HG13 ILE 145 1HG1 ILE 145 0.142 -4.421 -12.722 1140 HG21 ILE 145 1HG2 ILE 145 -1.369 -4.924 -9.373 1141 HG22 ILE 145 2HG2 ILE 145 -1.763 -3.230 -9.100 1142 HG23 ILE 145 3HG2 ILE 145 -0.084 -3.764 -9.040 1143 HD11 ILE 145 3HD1 ILE 145 1.585 -4.429 -10.096 1144 HD12 ILE 145 1HD1 ILE 145 1.882 -3.391 -11.500 1145 HD13 ILE 145 2HD1 ILE 145 2.194 -5.118 -11.618 1146 H LYS 146 H LYS 146 -4.392 -4.394 -10.625 1147 HA LYS 146 HA LYS 146 -5.782 -1.905 -11.090 1148 HB2 LYS 146 2HB LYS 146 -6.572 -4.348 -9.536 1149 HB3 LYS 146 1HB LYS 146 -7.646 -3.099 -10.141 1150 HG2 LYS 146 2HG LYS 146 -6.008 -4.944 -11.874 1151 HG3 LYS 146 1HG LYS 146 -7.698 -5.182 -11.458 1152 HD2 LYS 146 2HD LYS 146 -8.311 -3.165 -12.615 1153 HD3 LYS 146 1HD LYS 146 -6.614 -2.797 -12.942 1154 HE2 LYS 146 2HE LYS 146 -7.821 -3.832 -14.865 1155 HE3 LYS 146 1HE LYS 146 -6.394 -4.720 -14.353 1156 HZ1 LYS 146 3HZ LYS 146 -7.828 -6.288 -13.189 1157 HZ2 LYS 146 1HZ LYS 146 -8.289 -6.166 -14.804 1158 HZ3 LYS 146 2HZ LYS 146 -9.203 -5.403 -13.632 1159 H ILE 147 H ILE 147 -6.005 -0.338 -9.585 1160 HA ILE 147 HA ILE 147 -5.100 -0.995 -6.881 1161 HB ILE 147 HB ILE 147 -4.825 1.643 -8.347 1162 HG12 ILE 147 2HG1 ILE 147 -2.747 -0.313 -7.339 1163 HG13 ILE 147 1HG1 ILE 147 -3.219 -0.108 -9.021 1164 HG21 ILE 147 1HG2 ILE 147 -5.330 2.015 -5.975 1165 HG22 ILE 147 2HG2 ILE 147 -3.651 2.430 -6.328 1166 HG23 ILE 147 3HG2 ILE 147 -4.034 0.911 -5.517 1167 HD11 ILE 147 3HD1 ILE 147 -1.127 0.989 -8.510 1168 HD12 ILE 147 1HD1 ILE 147 -1.936 1.992 -7.292 1169 HD13 ILE 147 2HD1 ILE 147 -2.374 2.122 -9.004 1170 H THR 148 H THR 148 -6.625 -0.973 -5.480 1171 HA THR 148 HA THR 148 -8.987 0.621 -6.006 1172 HB THR 148 HB THR 148 -8.577 -1.630 -4.012 1173 HG1 THR 148 1HG THR 148 -8.613 -2.448 -6.065 1174 HG21 THR 148 3HG2 THR 148 -11.081 -0.190 -4.895 1175 HG22 THR 148 1HG2 THR 148 -10.286 0.012 -3.334 1176 HG23 THR 148 2HG2 THR 148 -10.999 -1.537 -3.757 1177 H VAL 149 H VAL 149 -9.261 2.398 -4.928 1178 HA VAL 149 HA VAL 149 -7.588 2.988 -2.613 1179 HB VAL 149 HB VAL 149 -9.007 4.853 -4.542 1180 HG11 VAL 149 1HG1 VAL 149 -8.797 5.855 -2.331 1181 HG12 VAL 149 2HG1 VAL 149 -7.713 6.607 -3.512 1182 HG13 VAL 149 3HG1 VAL 149 -7.070 5.457 -2.325 1183 HG21 VAL 149 3HG2 VAL 149 -7.152 3.683 -5.563 1184 HG22 VAL 149 1HG2 VAL 149 -6.078 4.213 -4.268 1185 HG23 VAL 149 2HG2 VAL 149 -6.804 5.399 -5.364 1186 H TYR 150 H TYR 150 -8.627 2.795 -0.799 1187 HA TYR 150 HA TYR 150 -11.534 2.983 -0.738 1188 HB2 TYR 150 2HB TYR 150 -9.588 2.033 1.370 1189 HB3 TYR 150 1HB TYR 150 -11.331 2.123 1.598 1190 HD1 TYR 150 1HD TYR 150 -8.625 0.398 -0.200 1191 HD2 TYR 150 2HD TYR 150 -12.793 0.482 0.620 1192 HE1 TYR 150 1HE TYR 150 -8.853 -1.850 -1.146 1193 HE2 TYR 150 2HE TYR 150 -13.030 -1.766 -0.329 1194 HH TYR 150 HH TYR 150 -11.797 -3.225 -1.984 1195 H THR 151 H THR 151 -12.663 4.499 0.323 1196 HA THR 151 HA THR 151 -11.096 6.789 1.080 1197 HB THR 151 HB THR 151 -13.352 7.931 1.141 1198 HG1 THR 151 1HG THR 151 -14.993 6.688 -0.023 1199 HG21 THR 151 3HG2 THR 151 -11.868 8.052 -0.827 1200 HG22 THR 151 1HG2 THR 151 -13.563 8.001 -1.309 1201 HG23 THR 151 2HG2 THR 151 -12.567 6.555 -1.440 1202 H LEU 152 H LEU 152 -10.569 7.151 3.063 1203 HA LEU 152 HA LEU 152 -12.389 6.699 5.261 1204 HB2 LEU 152 2HB LEU 152 -9.512 5.747 5.143 1205 HB3 LEU 152 1HB LEU 152 -10.445 5.856 6.615 1206 HG LEU 152 HG LEU 152 -11.099 4.024 4.297 1207 HD11 LEU 152 1HD1 LEU 152 -10.309 2.235 5.768 1208 HD12 LEU 152 2HD1 LEU 152 -9.825 3.432 6.970 1209 HD13 LEU 152 3HD1 LEU 152 -9.018 3.379 5.401 1210 HD21 LEU 152 3HD2 LEU 152 -12.239 4.214 7.091 1211 HD22 LEU 152 1HD2 LEU 152 -12.648 2.984 5.895 1212 HD23 LEU 152 2HD2 LEU 152 -13.062 4.672 5.601 Start of MODEL 13 1 H GLU 1 H GLU 1 -10.378 -19.062 3.650 2 HA GLU 1 HA GLU 1 -12.685 -19.987 5.198 3 HB2 GLU 1 2HB GLU 1 -12.285 -18.046 6.707 4 HB3 GLU 1 1HB GLU 1 -11.017 -19.265 6.756 5 HG2 GLU 1 2HG GLU 1 -9.675 -17.925 5.248 6 HG3 GLU 1 1HG GLU 1 -10.941 -16.701 5.223 7 H ALA 2 H ALA 2 -11.695 -18.361 2.589 8 HA ALA 2 HA ALA 2 -14.281 -17.062 2.373 9 HB1 ALA 2 1HB ALA 2 -11.682 -15.683 1.658 10 HB2 ALA 2 2HB ALA 2 -12.721 -15.272 3.022 11 HB3 ALA 2 3HB ALA 2 -13.300 -15.046 1.370 12 H SER 3 H SER 3 -14.892 -18.709 1.026 13 HA SER 3 HA SER 3 -13.283 -19.268 -1.295 14 HB2 SER 3 2HB SER 3 -14.430 -21.122 -0.106 15 HB3 SER 3 1HB SER 3 -15.978 -20.384 -0.508 16 HG SER 3 HG SER 3 -15.890 -21.382 -2.297 17 H SER 4 H SER 4 -13.421 -17.080 -1.978 18 HA SER 4 HA SER 4 -15.244 -16.763 -4.086 19 HB2 SER 4 2HB SER 4 -16.763 -16.070 -2.275 20 HB3 SER 4 1HB SER 4 -15.583 -14.887 -1.726 21 HG SER 4 HG SER 4 -16.230 -13.569 -3.210 22 H LEU 5 H LEU 5 -14.113 -15.727 -5.583 23 HA LEU 5 HA LEU 5 -12.541 -13.482 -4.784 24 HB2 LEU 5 2HB LEU 5 -10.599 -14.043 -6.180 25 HB3 LEU 5 1HB LEU 5 -10.816 -15.183 -4.881 26 HG LEU 5 HG LEU 5 -11.493 -15.704 -7.798 27 HD11 LEU 5 1HD1 LEU 5 -9.520 -17.150 -7.779 28 HD12 LEU 5 2HD1 LEU 5 -9.162 -16.630 -6.132 29 HD13 LEU 5 3HD1 LEU 5 -9.107 -15.466 -7.457 30 HD21 LEU 5 3HD2 LEU 5 -12.849 -17.048 -6.241 31 HD22 LEU 5 1HD2 LEU 5 -11.379 -17.607 -5.451 32 HD23 LEU 5 2HD2 LEU 5 -11.696 -18.053 -7.127 33 H ASN 6 H ASN 6 -14.370 -12.452 -5.551 34 HA ASN 6 HA ASN 6 -14.057 -11.763 -8.285 35 HB2 ASN 6 2HB ASN 6 -15.551 -13.679 -8.552 36 HB3 ASN 6 1HB ASN 6 -16.674 -12.981 -7.401 37 HD21 ASN 6 1HD2 ASN 6 -15.005 -11.052 -9.881 38 HD22 ASN 6 2HD2 ASN 6 -16.420 -10.713 -10.786 39 H GLU 7 H GLU 7 -13.681 -9.769 -7.737 40 HA GLU 7 HA GLU 7 -15.888 -8.088 -7.230 41 HB2 GLU 7 2HB GLU 7 -15.054 -8.683 -4.923 42 HB3 GLU 7 1HB GLU 7 -13.492 -8.000 -5.360 43 HG2 GLU 7 2HG GLU 7 -14.558 -5.842 -5.721 44 HG3 GLU 7 1HG GLU 7 -16.110 -6.537 -5.262 45 H ASP 8 H ASP 8 -15.518 -7.153 -9.094 46 HA ASP 8 HA ASP 8 -12.737 -6.677 -9.867 47 HB2 ASP 8 2HB ASP 8 -13.977 -8.299 -11.240 48 HB3 ASP 8 1HB ASP 8 -15.161 -7.059 -11.608 49 HA PRO 9 HA PRO 9 -13.488 -2.233 -9.755 50 HB2 PRO 9 2HB PRO 9 -11.220 -2.298 -11.682 51 HB3 PRO 9 1HB PRO 9 -11.396 -1.379 -10.188 52 HG2 PRO 9 2HG PRO 9 -9.797 -3.474 -10.279 53 HG3 PRO 9 1HG PRO 9 -10.813 -3.183 -8.856 54 HD2 PRO 9 2HD PRO 9 -11.191 -5.147 -11.080 55 HD3 PRO 9 1HD PRO 9 -11.460 -5.318 -9.332 56 H GLU 10 H GLU 10 -12.873 -0.584 -11.895 57 HA GLU 10 HA GLU 10 -15.080 -1.246 -13.692 58 HB2 GLU 10 2HB GLU 10 -13.576 1.321 -13.290 59 HB3 GLU 10 1HB GLU 10 -14.918 1.111 -14.400 60 HG2 GLU 10 2HG GLU 10 -16.334 0.488 -12.452 61 HG3 GLU 10 1HG GLU 10 -14.973 0.906 -11.411 62 H GLY 11 H GLY 11 -12.295 -2.417 -13.985 63 HA2 GLY 11 2HA GLY 11 -10.908 -2.971 -15.738 64 HA3 GLY 11 1HA GLY 11 -12.113 -2.248 -16.804 65 H SER 12 H SER 12 -10.009 -1.021 -14.256 66 HA SER 12 HA SER 12 -8.685 0.711 -16.098 67 HB2 SER 12 2HB SER 12 -10.820 1.891 -15.451 68 HB3 SER 12 1HB SER 12 -10.304 1.809 -13.776 69 HG SER 12 HG SER 12 -9.607 3.537 -15.720 70 H ARG 13 H ARG 13 -7.212 2.128 -14.501 71 HA ARG 13 HA ARG 13 -5.815 0.171 -12.922 72 HB2 ARG 13 2HB ARG 13 -5.180 3.075 -13.466 73 HB3 ARG 13 1HB ARG 13 -4.161 2.018 -12.495 74 HG2 ARG 13 2HG ARG 13 -4.876 1.586 -15.387 75 HG3 ARG 13 1HG ARG 13 -3.341 2.228 -14.788 76 HD2 ARG 13 2HD ARG 13 -2.848 0.244 -13.665 77 HD3 ARG 13 1HD ARG 13 -4.407 -0.488 -13.962 78 HE ARG 13 HE ARG 13 -2.437 0.133 -16.067 79 HH11 ARG 13 1HH1 ARG 13 -4.863 -2.061 -14.681 80 HH12 ARG 13 2HH1 ARG 13 -4.673 -3.278 -15.855 81 HH21 ARG 13 1HH2 ARG 13 -2.139 -1.549 -17.700 82 HH22 ARG 13 2HH2 ARG 13 -3.064 -2.963 -17.618 83 H ILE 14 H ILE 14 -6.995 3.406 -12.094 84 HA ILE 14 HA ILE 14 -7.095 2.514 -9.322 85 HB ILE 14 HB ILE 14 -7.434 5.266 -10.503 86 HG12 ILE 14 2HG1 ILE 14 -5.076 4.045 -9.040 87 HG13 ILE 14 1HG1 ILE 14 -5.134 4.455 -10.749 88 HG21 ILE 14 1HG2 ILE 14 -8.654 5.058 -8.418 89 HG22 ILE 14 2HG2 ILE 14 -7.236 6.085 -8.185 90 HG23 ILE 14 3HG2 ILE 14 -7.220 4.415 -7.621 91 HD11 ILE 14 3HD1 ILE 14 -5.288 6.424 -8.466 92 HD12 ILE 14 1HD1 ILE 14 -5.301 6.835 -10.175 93 HD13 ILE 14 2HD1 ILE 14 -3.871 6.108 -9.453 94 H THR 15 H THR 15 -8.914 2.074 -8.378 95 HA THR 15 HA THR 15 -11.415 3.190 -9.385 96 HB THR 15 HB THR 15 -10.944 0.358 -8.378 97 HG1 THR 15 1HG THR 15 -10.602 1.432 -10.705 98 HG21 THR 15 3HG2 THR 15 -13.174 1.246 -7.750 99 HG22 THR 15 1HG2 THR 15 -13.303 -0.043 -8.948 100 HG23 THR 15 2HG2 THR 15 -13.478 1.642 -9.439 101 H TYR 16 H TYR 16 -12.636 4.087 -7.757 102 HA TYR 16 HA TYR 16 -11.300 4.172 -5.148 103 HB2 TYR 16 2HB TYR 16 -13.357 6.037 -6.300 104 HB3 TYR 16 1HB TYR 16 -12.570 6.215 -4.741 105 HD1 TYR 16 2HD TYR 16 -10.071 6.614 -4.694 106 HD2 TYR 16 1HD TYR 16 -12.382 6.813 -8.241 107 HE1 TYR 16 2HE TYR 16 -8.302 7.918 -5.762 108 HE2 TYR 16 1HE TYR 16 -10.608 8.120 -9.334 109 HH TYR 16 HH TYR 16 -8.775 9.550 -8.701 110 H VAL 17 H VAL 17 -12.158 3.366 -3.410 111 HA VAL 17 HA VAL 17 -15.046 2.854 -3.345 112 HB VAL 17 HB VAL 17 -12.906 1.184 -2.006 113 HG11 VAL 17 1HG1 VAL 17 -14.742 -0.362 -1.465 114 HG12 VAL 17 2HG1 VAL 17 -15.888 0.785 -2.160 115 HG13 VAL 17 3HG1 VAL 17 -14.956 1.228 -0.731 116 HG21 VAL 17 3HG2 VAL 17 -13.517 -0.606 -3.554 117 HG22 VAL 17 1HG2 VAL 17 -12.883 0.801 -4.405 118 HG23 VAL 17 2HG2 VAL 17 -14.623 0.489 -4.392 119 H LYS 18 H LYS 18 -15.988 3.865 -1.752 120 HA LYS 18 HA LYS 18 -14.355 5.130 0.268 121 HB2 LYS 18 2HB LYS 18 -16.454 6.329 0.884 122 HB3 LYS 18 1HB LYS 18 -15.947 6.601 -0.775 123 HG2 LYS 18 2HG LYS 18 -17.632 4.940 -1.503 124 HG3 LYS 18 1HG LYS 18 -18.159 4.790 0.174 125 HD2 LYS 18 2HD LYS 18 -18.733 7.162 0.210 126 HD3 LYS 18 1HD LYS 18 -18.177 7.327 -1.458 127 HE2 LYS 18 2HE LYS 18 -19.872 5.704 -2.161 128 HE3 LYS 18 1HE LYS 18 -20.438 5.589 -0.496 129 HZ1 LYS 18 3HZ LYS 18 -21.059 7.940 -0.595 130 HZ2 LYS 18 1HZ LYS 18 -21.780 7.075 -1.849 131 HZ3 LYS 18 2HZ LYS 18 -20.458 8.045 -2.164 132 H GLY 19 H GLY 19 -14.005 4.223 2.113 133 HA2 GLY 19 2HA GLY 19 -15.839 3.086 3.810 134 HA3 GLY 19 1HA GLY 19 -15.169 1.772 2.845 135 H ASP 20 H ASP 20 -13.899 0.780 4.338 136 HA ASP 20 HA ASP 20 -11.921 2.478 5.719 137 HB2 ASP 20 2HB ASP 20 -13.475 0.955 7.095 138 HB3 ASP 20 1HB ASP 20 -12.603 -0.389 6.380 139 H LEU 21 H LEU 21 -9.758 1.925 5.566 140 HA LEU 21 HA LEU 21 -8.993 0.716 3.134 141 HB2 LEU 21 2HB LEU 21 -7.811 2.624 4.056 142 HB3 LEU 21 1HB LEU 21 -7.410 1.734 5.496 143 HG LEU 21 HG LEU 21 -5.550 2.201 3.896 144 HD11 LEU 21 1HD1 LEU 21 -4.419 0.092 4.183 145 HD12 LEU 21 2HD1 LEU 21 -5.970 -0.736 4.486 146 HD13 LEU 21 3HD1 LEU 21 -5.355 0.495 5.596 147 HD21 LEU 21 3HD2 LEU 21 -6.888 0.104 2.196 148 HD22 LEU 21 1HD2 LEU 21 -5.271 0.781 1.956 149 HD23 LEU 21 2HD2 LEU 21 -6.685 1.821 1.806 150 H PHE 22 H PHE 22 -9.359 -0.498 6.371 151 HA PHE 22 HA PHE 22 -7.936 -2.916 5.649 152 HB2 PHE 22 2HB PHE 22 -9.058 -1.929 8.255 153 HB3 PHE 22 1HB PHE 22 -8.562 -3.604 8.037 154 HD1 PHE 22 2HD PHE 22 -7.358 -0.099 8.277 155 HD2 PHE 22 1HD PHE 22 -6.268 -4.206 7.837 156 HE1 PHE 22 2HE PHE 22 -5.055 0.452 8.793 157 HE2 PHE 22 1HE PHE 22 -3.943 -3.631 8.362 158 HZ PHE 22 HZ PHE 22 -3.338 -1.302 8.843 159 H ALA 23 H ALA 23 -10.861 -1.819 4.981 160 HA ALA 23 HA ALA 23 -12.287 -4.325 5.456 161 HB1 ALA 23 1HB ALA 23 -13.507 -2.237 5.815 162 HB2 ALA 23 2HB ALA 23 -14.218 -3.145 4.486 163 HB3 ALA 23 3HB ALA 23 -13.189 -1.748 4.151 164 H CYS 24 H CYS 24 -9.981 -3.709 3.568 165 HA CYS 24 HA CYS 24 -10.921 -4.127 0.940 166 HB2 CYS 24 2HB CYS 24 -8.439 -4.487 0.509 167 HB3 CYS 24 1HB CYS 24 -8.908 -2.934 1.198 168 HG CYS 24 HG CYS 24 -7.462 -3.015 3.198 169 HA PRO 25 HA PRO 25 -11.223 -8.574 0.820 170 HB2 PRO 25 2HB PRO 25 -10.008 -8.602 -1.849 171 HB3 PRO 25 1HB PRO 25 -11.651 -9.014 -1.362 172 HG2 PRO 25 2HG PRO 25 -11.066 -6.785 -2.770 173 HG3 PRO 25 1HG PRO 25 -12.412 -6.865 -1.626 174 HD2 PRO 25 2HD PRO 25 -9.707 -5.637 -1.305 175 HD3 PRO 25 1HD PRO 25 -11.295 -5.072 -0.735 176 H LYS 26 H LYS 26 -9.994 -10.532 0.698 177 HA LYS 26 HA LYS 26 -7.286 -10.231 1.535 178 HB2 LYS 26 2HB LYS 26 -7.287 -12.668 1.814 179 HB3 LYS 26 1HB LYS 26 -8.674 -11.909 2.581 180 HG2 LYS 26 2HG LYS 26 -9.535 -13.892 1.605 181 HG3 LYS 26 1HG LYS 26 -9.982 -12.611 0.493 182 HD2 LYS 26 2HD LYS 26 -8.097 -13.188 -0.952 183 HD3 LYS 26 1HD LYS 26 -7.615 -14.455 0.173 184 HE2 LYS 26 2HE LYS 26 -8.811 -15.416 -1.691 185 HE3 LYS 26 1HE LYS 26 -9.774 -15.587 -0.227 186 HZ1 LYS 26 3HZ LYS 26 -11.148 -13.738 -0.952 187 HZ2 LYS 26 1HZ LYS 26 -11.070 -14.903 -2.158 188 HZ3 LYS 26 2HZ LYS 26 -10.156 -13.499 -2.306 189 H THR 27 H THR 27 -8.656 -10.519 -1.571 190 HA THR 27 HA THR 27 -6.798 -12.230 -2.794 191 HB THR 27 HB THR 27 -8.773 -10.300 -3.995 192 HG1 THR 27 1HG THR 27 -10.314 -11.728 -3.574 193 HG21 THR 27 3HG2 THR 27 -8.931 -12.018 -5.703 194 HG22 THR 27 1HG2 THR 27 -7.746 -12.988 -4.796 195 HG23 THR 27 2HG2 THR 27 -7.263 -11.435 -5.514 196 H ASP 28 H ASP 28 -6.730 -8.845 -2.039 197 HA ASP 28 HA ASP 28 -4.762 -8.239 -4.175 198 HB2 ASP 28 2HB ASP 28 -5.411 -5.897 -3.774 199 HB3 ASP 28 1HB ASP 28 -6.766 -6.890 -4.308 200 H SER 29 H SER 29 -3.006 -6.844 -3.563 201 HA SER 29 HA SER 29 -2.221 -7.272 -0.800 202 HB2 SER 29 2HB SER 29 -0.557 -6.428 -3.196 203 HB3 SER 29 1HB SER 29 0.068 -6.656 -1.560 204 HG SER 29 HG SER 29 -1.305 -8.638 -3.029 205 H LEU 30 H LEU 30 -0.916 -5.279 0.171 206 HA LEU 30 HA LEU 30 -2.690 -2.999 -0.423 207 HB2 LEU 30 2HB LEU 30 -3.108 -4.516 1.677 208 HB3 LEU 30 1HB LEU 30 -1.698 -3.731 2.303 209 HG LEU 30 HG LEU 30 -4.237 -2.304 1.528 210 HD11 LEU 30 1HD1 LEU 30 -4.621 -3.771 3.353 211 HD12 LEU 30 2HD1 LEU 30 -4.568 -2.104 3.946 212 HD13 LEU 30 3HD1 LEU 30 -3.184 -3.173 4.191 213 HD21 LEU 30 3HD2 LEU 30 -1.821 -1.315 3.063 214 HD22 LEU 30 1HD2 LEU 30 -3.297 -0.390 2.724 215 HD23 LEU 30 2HD2 LEU 30 -2.253 -0.906 1.405 216 H ALA 31 H ALA 31 -1.727 -1.012 -0.349 217 HA ALA 31 HA ALA 31 1.139 -0.888 0.291 218 HB1 ALA 31 1HB ALA 31 -0.173 0.295 -2.158 219 HB2 ALA 31 2HB ALA 31 0.858 -1.138 -2.127 220 HB3 ALA 31 3HB ALA 31 1.528 0.439 -1.708 221 H HIS 32 H HIS 32 1.885 1.138 1.033 222 HA HIS 32 HA HIS 32 0.407 3.497 0.818 223 HB2 HIS 32 2HB HIS 32 -0.092 3.984 3.199 224 HB3 HIS 32 1HB HIS 32 -0.982 2.575 2.649 225 HD1 HIS 32 1HD HIS 32 1.775 3.658 4.926 226 HD2 HIS 32 2HD HIS 32 -0.381 0.238 3.953 227 HE1 HIS 32 1HE HIS 32 2.382 1.978 6.676 228 HE2 HIS 32 2HE HIS 32 1.235 -0.146 5.959 229 H CYS 33 H CYS 33 1.504 5.290 2.268 230 HA CYS 33 HA CYS 33 4.331 4.774 1.818 231 HB2 CYS 33 2HB CYS 33 4.538 7.239 1.744 232 HB3 CYS 33 1HB CYS 33 3.478 6.577 0.505 233 HG CYS 33 HG CYS 33 1.916 8.584 1.010 234 H ILE 34 H ILE 34 5.917 5.489 3.218 235 HA ILE 34 HA ILE 34 5.243 6.457 5.863 236 HB ILE 34 HB ILE 34 6.774 4.843 6.980 237 HG12 ILE 34 2HG1 ILE 34 6.736 3.327 4.377 238 HG13 ILE 34 1HG1 ILE 34 8.082 4.293 4.972 239 HG21 ILE 34 1HG2 ILE 34 4.431 4.416 7.102 240 HG22 ILE 34 2HG2 ILE 34 5.331 2.905 7.020 241 HG23 ILE 34 3HG2 ILE 34 4.484 3.511 5.590 242 HD11 ILE 34 3HD1 ILE 34 6.913 1.933 6.396 243 HD12 ILE 34 1HD1 ILE 34 8.313 2.873 6.891 244 HD13 ILE 34 2HD1 ILE 34 8.388 1.898 5.415 245 H SER 35 H SER 35 7.421 6.989 7.028 246 HA SER 35 HA SER 35 9.058 8.362 5.078 247 HB2 SER 35 2HB SER 35 9.953 9.511 7.078 248 HB3 SER 35 1HB SER 35 8.206 9.663 6.912 249 HG SER 35 HG SER 35 9.094 9.117 9.043 250 H GLU 36 H GLU 36 11.499 8.465 5.758 251 HA GLU 36 HA GLU 36 12.558 5.832 5.531 252 HB2 GLU 36 2HB GLU 36 14.124 8.344 6.208 253 HB3 GLU 36 1HB GLU 36 14.721 6.857 5.482 254 HG2 GLU 36 2HG GLU 36 13.433 7.269 3.518 255 HG3 GLU 36 1HG GLU 36 12.822 8.777 4.187 256 H ASP 37 H ASP 37 11.931 7.936 8.181 257 HA ASP 37 HA ASP 37 13.522 6.421 10.120 258 HB2 ASP 37 2HB ASP 37 11.398 8.509 10.601 259 HB3 ASP 37 1HB ASP 37 12.452 7.829 11.824 260 H CYS 38 H CYS 38 10.433 6.319 8.714 261 HA CYS 38 HA CYS 38 8.582 5.120 9.018 262 HB2 CYS 38 2HB CYS 38 10.474 3.276 10.499 263 HB3 CYS 38 1HB CYS 38 8.867 2.835 9.932 264 HG CYS 38 HG CYS 38 10.383 4.050 7.365 265 H ARG 39 H ARG 39 8.955 7.216 10.819 266 HA ARG 39 HA ARG 39 8.218 6.405 13.468 267 HB2 ARG 39 2HB ARG 39 7.913 9.080 12.134 268 HB3 ARG 39 1HB ARG 39 7.669 8.764 13.844 269 HG2 ARG 39 2HG ARG 39 10.025 8.095 14.022 270 HG3 ARG 39 1HG ARG 39 10.245 8.511 12.318 271 HD2 ARG 39 2HD ARG 39 9.399 10.769 12.837 272 HD3 ARG 39 1HD ARG 39 9.382 10.295 14.537 273 HE ARG 39 HE ARG 39 11.926 9.782 13.761 274 HH11 ARG 39 1HH1 ARG 39 9.900 12.665 13.703 275 HH12 ARG 39 2HH1 ARG 39 11.191 13.770 13.742 276 HH21 ARG 39 1HH2 ARG 39 13.727 11.291 13.816 277 HH22 ARG 39 2HH2 ARG 39 13.425 12.964 13.811 278 H MET 40 H MET 40 6.252 5.332 13.728 279 HA MET 40 HA MET 40 4.031 6.526 12.253 280 HB2 MET 40 2HB MET 40 4.012 3.758 13.504 281 HB3 MET 40 1HB MET 40 2.687 4.570 12.633 282 HG2 MET 40 2HG MET 40 3.513 3.082 11.184 283 HG3 MET 40 1HG MET 40 4.394 4.547 10.756 284 HE1 MET 40 3HE MET 40 5.946 3.058 9.470 285 HE2 MET 40 1HE MET 40 5.038 1.671 10.068 286 HE3 MET 40 2HE MET 40 6.827 1.640 10.132 287 H GLY 41 H GLY 41 3.591 8.177 13.531 288 HA2 GLY 41 2HA GLY 41 2.431 7.445 16.130 289 HA3 GLY 41 1HA GLY 41 3.045 9.051 15.727 290 H ALA 42 H ALA 42 1.858 8.507 12.971 291 HA ALA 42 HA ALA 42 -0.958 8.888 13.468 292 HB1 ALA 42 1HB ALA 42 0.741 11.046 12.200 293 HB2 ALA 42 2HB ALA 42 -0.045 11.147 13.774 294 HB3 ALA 42 3HB ALA 42 -1.019 11.054 12.304 295 H GLY 43 H GLY 43 -2.052 9.276 11.269 296 HA2 GLY 43 2HA GLY 43 -2.199 8.953 8.981 297 HA3 GLY 43 1HA GLY 43 -0.544 8.364 8.979 298 H ILE 44 H ILE 44 -1.607 6.819 7.513 299 HA ILE 44 HA ILE 44 -3.270 4.785 8.704 300 HB ILE 44 HB ILE 44 -3.549 5.352 6.331 301 HG12 ILE 44 2HG1 ILE 44 -2.514 2.572 6.754 302 HG13 ILE 44 1HG1 ILE 44 -4.163 3.116 7.076 303 HG21 ILE 44 1HG2 ILE 44 -0.769 4.251 5.983 304 HG22 ILE 44 2HG2 ILE 44 -1.302 5.910 5.612 305 HG23 ILE 44 3HG2 ILE 44 -1.928 4.525 4.700 306 HD11 ILE 44 3HD1 ILE 44 -3.988 1.927 5.058 307 HD12 ILE 44 1HD1 ILE 44 -2.777 3.067 4.450 308 HD13 ILE 44 2HD1 ILE 44 -4.431 3.628 4.790 309 H ALA 45 H ALA 45 0.049 5.414 8.345 310 HA ALA 45 HA ALA 45 1.032 2.786 8.321 311 HB1 ALA 45 1HB ALA 45 2.369 4.705 7.685 312 HB2 ALA 45 2HB ALA 45 3.142 3.708 8.928 313 HB3 ALA 45 3HB ALA 45 2.387 5.239 9.381 314 H VAL 46 H VAL 46 0.087 4.892 10.966 315 HA VAL 46 HA VAL 46 1.232 3.257 12.992 316 HB VAL 46 HB VAL 46 0.511 5.644 13.270 317 HG11 VAL 46 1HG1 VAL 46 -2.224 4.495 13.600 318 HG12 VAL 46 2HG1 VAL 46 -1.670 5.630 12.370 319 HG13 VAL 46 3HG1 VAL 46 -1.751 6.135 14.060 320 HG21 VAL 46 3HG2 VAL 46 -0.047 5.388 15.671 321 HG22 VAL 46 1HG2 VAL 46 1.273 4.334 15.170 322 HG23 VAL 46 2HG2 VAL 46 -0.343 3.674 15.392 323 H LEU 47 H LEU 47 -1.736 3.207 11.327 324 HA LEU 47 HA LEU 47 -3.127 1.309 12.895 325 HB2 LEU 47 2HB LEU 47 -3.194 1.575 9.884 326 HB3 LEU 47 1HB LEU 47 -4.377 0.734 10.862 327 HG LEU 47 HG LEU 47 -3.862 3.715 10.932 328 HD11 LEU 47 1HD1 LEU 47 -4.907 2.992 8.858 329 HD12 LEU 47 2HD1 LEU 47 -6.036 3.904 9.858 330 HD13 LEU 47 3HD1 LEU 47 -6.153 2.147 9.773 331 HD21 LEU 47 3HD2 LEU 47 -6.000 2.060 12.245 332 HD22 LEU 47 1HD2 LEU 47 -5.875 3.811 12.300 333 HD23 LEU 47 2HD2 LEU 47 -4.643 2.824 13.089 334 H PHE 48 H PHE 48 -0.694 0.878 10.368 335 HA PHE 48 HA PHE 48 -0.715 -2.003 10.510 336 HB2 PHE 48 2HB PHE 48 1.129 -0.048 9.128 337 HB3 PHE 48 1HB PHE 48 1.360 -1.792 9.058 338 HD1 PHE 48 2HD PHE 48 -1.193 0.830 8.372 339 HD2 PHE 48 1HD PHE 48 0.336 -3.006 7.394 340 HE1 PHE 48 2HE PHE 48 -2.755 0.683 6.468 341 HE2 PHE 48 1HE PHE 48 -1.221 -3.143 5.496 342 HZ PHE 48 HZ PHE 48 -2.761 -1.288 5.047 343 H LYS 49 H LYS 49 0.949 0.553 11.966 344 HA LYS 49 HA LYS 49 3.217 -0.519 13.121 345 HB2 LYS 49 2HB LYS 49 2.664 1.787 13.165 346 HB3 LYS 49 1HB LYS 49 1.174 1.471 14.013 347 HG2 LYS 49 2HG LYS 49 2.660 2.542 15.471 348 HG3 LYS 49 1HG LYS 49 2.521 0.867 15.982 349 HD2 LYS 49 2HD LYS 49 4.654 0.350 15.159 350 HD3 LYS 49 1HD LYS 49 4.754 1.868 14.249 351 HE2 LYS 49 2HE LYS 49 4.629 3.115 16.237 352 HE3 LYS 49 1HE LYS 49 4.510 1.675 17.231 353 HZ1 LYS 49 3HZ LYS 49 6.782 2.561 17.190 354 HZ2 LYS 49 1HZ LYS 49 6.854 2.375 15.524 355 HZ3 LYS 49 2HZ LYS 49 6.750 1.012 16.523 356 H LYS 50 H LYS 50 -0.133 -0.465 14.469 357 HA LYS 50 HA LYS 50 0.625 -2.128 16.629 358 HB2 LYS 50 2HB LYS 50 -2.133 -1.429 15.670 359 HB3 LYS 50 1HB LYS 50 -1.802 -2.424 17.059 360 HG2 LYS 50 2HG LYS 50 -2.222 -0.339 17.947 361 HG3 LYS 50 1HG LYS 50 -0.468 -0.455 17.998 362 HD2 LYS 50 2HD LYS 50 -1.058 1.748 17.249 363 HD3 LYS 50 1HD LYS 50 -0.441 0.859 15.858 364 HE2 LYS 50 2HE LYS 50 -2.423 2.052 15.175 365 HE3 LYS 50 1HE LYS 50 -2.749 0.319 15.235 366 HZ1 LYS 50 3HZ LYS 50 -3.508 2.280 17.307 367 HZ2 LYS 50 1HZ LYS 50 -3.855 0.627 17.361 368 HZ3 LYS 50 2HZ LYS 50 -4.559 1.611 16.185 369 H LYS 51 H LYS 51 -1.154 -2.702 13.618 370 HA LYS 51 HA LYS 51 -1.842 -5.324 14.241 371 HB2 LYS 51 2HB LYS 51 -1.925 -3.803 11.700 372 HB3 LYS 51 1HB LYS 51 -2.390 -5.498 11.787 373 HG2 LYS 51 2HG LYS 51 -4.055 -4.961 13.481 374 HG3 LYS 51 1HG LYS 51 -3.581 -3.264 13.406 375 HD2 LYS 51 2HD LYS 51 -4.241 -3.126 11.145 376 HD3 LYS 51 1HD LYS 51 -4.589 -4.858 11.085 377 HE2 LYS 51 2HE LYS 51 -6.672 -3.553 11.327 378 HE3 LYS 51 1HE LYS 51 -6.376 -4.579 12.722 379 HZ1 LYS 51 3HZ LYS 51 -7.115 -2.424 13.394 380 HZ2 LYS 51 1HZ LYS 51 -5.874 -1.647 12.580 381 HZ3 LYS 51 2HZ LYS 51 -5.544 -2.630 13.918 382 H PHE 52 H PHE 52 0.921 -4.168 12.309 383 HA PHE 52 HA PHE 52 1.624 -7.017 12.061 384 HB2 PHE 52 2HB PHE 52 2.482 -4.708 10.319 385 HB3 PHE 52 1HB PHE 52 3.039 -6.365 10.139 386 HD1 PHE 52 2HD PHE 52 1.485 -8.116 9.389 387 HD2 PHE 52 1HD PHE 52 0.327 -4.035 9.567 388 HE1 PHE 52 2HE PHE 52 -0.441 -8.605 7.947 389 HE2 PHE 52 1HE PHE 52 -1.602 -4.513 8.125 390 HZ PHE 52 HZ PHE 52 -1.993 -6.802 7.311 391 H GLY 53 H GLY 53 2.655 -3.944 13.242 392 HA2 GLY 53 2HA GLY 53 4.501 -3.248 14.425 393 HA3 GLY 53 1HA GLY 53 4.468 -4.868 15.089 394 H GLY 54 H GLY 54 5.149 -4.062 11.723 395 HA2 GLY 54 2HA GLY 54 7.725 -5.435 12.038 396 HA3 GLY 54 1HA GLY 54 6.855 -5.218 10.529 397 H VAL 55 H VAL 55 7.611 -2.788 12.952 398 HA VAL 55 HA VAL 55 8.394 -0.884 11.025 399 HB VAL 55 HB VAL 55 8.979 -0.881 13.996 400 HG11 VAL 55 1HG1 VAL 55 9.076 1.550 13.769 401 HG12 VAL 55 2HG1 VAL 55 8.838 1.392 12.027 402 HG13 VAL 55 3HG1 VAL 55 10.302 0.749 12.781 403 HG21 VAL 55 3HG2 VAL 55 6.929 0.454 14.213 404 HG22 VAL 55 1HG2 VAL 55 6.596 -1.163 13.589 405 HG23 VAL 55 2HG2 VAL 55 6.607 0.221 12.494 406 H GLN 56 H GLN 56 10.279 -2.992 13.221 407 HA GLN 56 HA GLN 56 12.792 -1.923 12.451 408 HB2 GLN 56 2HB GLN 56 11.999 -4.482 13.827 409 HB3 GLN 56 1HB GLN 56 13.639 -4.008 13.483 410 HG2 GLN 56 2HG GLN 56 13.089 -3.584 15.786 411 HG3 GLN 56 1HG GLN 56 13.418 -2.083 14.942 412 HE21 GLN 56 1HE2 GLN 56 11.756 -0.591 14.711 413 HE22 GLN 56 2HE2 GLN 56 10.247 -0.705 15.528 414 H GLU 57 H GLU 57 10.771 -4.505 11.351 415 HA GLU 57 HA GLU 57 12.645 -5.782 9.716 416 HB2 GLU 57 2HB GLU 57 9.687 -5.462 9.224 417 HB3 GLU 57 1HB GLU 57 10.727 -6.657 8.466 418 HG2 GLU 57 2HG GLU 57 11.173 -7.593 10.730 419 HG3 GLU 57 1HG GLU 57 9.976 -6.469 11.365 420 H LEU 58 H LEU 58 10.468 -3.106 9.109 421 HA LEU 58 HA LEU 58 11.101 -2.642 6.399 422 HB2 LEU 58 2HB LEU 58 10.234 -0.675 8.508 423 HB3 LEU 58 1HB LEU 58 10.153 -0.424 6.777 424 HG LEU 58 HG LEU 58 8.590 -2.484 8.321 425 HD11 LEU 58 1HD1 LEU 58 7.839 -0.237 8.796 426 HD12 LEU 58 2HD1 LEU 58 6.661 -1.088 7.796 427 HD13 LEU 58 3HD1 LEU 58 7.738 0.108 7.072 428 HD21 LEU 58 3HD2 LEU 58 8.518 -1.697 5.419 429 HD22 LEU 58 1HD2 LEU 58 7.376 -2.781 6.209 430 HD23 LEU 58 2HD2 LEU 58 9.075 -3.241 6.062 431 H LEU 59 H LEU 59 12.292 -1.158 9.377 432 HA LEU 59 HA LEU 59 14.138 0.575 8.185 433 HB2 LEU 59 2HB LEU 59 14.083 -0.582 10.958 434 HB3 LEU 59 1HB LEU 59 15.193 0.671 10.443 435 HG LEU 59 HG LEU 59 12.185 0.942 10.465 436 HD11 LEU 59 1HD1 LEU 59 13.093 0.835 12.725 437 HD12 LEU 59 2HD1 LEU 59 12.568 2.470 12.304 438 HD13 LEU 59 3HD1 LEU 59 14.281 2.078 12.300 439 HD21 LEU 59 3HD2 LEU 59 14.389 2.906 9.926 440 HD22 LEU 59 1HD2 LEU 59 12.684 3.320 10.082 441 HD23 LEU 59 2HD2 LEU 59 13.230 2.304 8.746 442 H ASN 60 H ASN 60 14.569 -2.691 9.438 443 HA ASN 60 HA ASN 60 17.348 -2.788 9.004 444 HB2 ASN 60 2HB ASN 60 15.304 -4.996 9.236 445 HB3 ASN 60 1HB ASN 60 17.031 -5.302 9.076 446 HD21 ASN 60 1HD2 ASN 60 15.081 -5.776 11.306 447 HD22 ASN 60 2HD2 ASN 60 15.794 -5.029 12.684 448 H GLN 61 H GLN 61 14.766 -3.012 6.761 449 HA GLN 61 HA GLN 61 16.232 -4.343 4.664 450 HB2 GLN 61 2HB GLN 61 13.764 -2.605 4.538 451 HB3 GLN 61 1HB GLN 61 14.403 -3.521 3.190 452 HG2 GLN 61 2HG GLN 61 13.968 -5.597 4.441 453 HG3 GLN 61 1HG GLN 61 13.308 -4.635 5.759 454 HE21 GLN 61 1HE2 GLN 61 11.324 -5.564 5.604 455 HE22 GLN 61 2HE2 GLN 61 10.191 -5.279 4.342 456 H GLN 62 H GLN 62 16.078 -1.186 5.918 457 HA GLN 62 HA GLN 62 16.598 0.793 5.333 458 HB2 GLN 62 2HB GLN 62 19.059 -0.613 4.482 459 HB3 GLN 62 1HB GLN 62 18.901 1.146 4.500 460 HG2 GLN 62 2HG GLN 62 18.200 1.021 6.777 461 HG3 GLN 62 1HG GLN 62 18.519 -0.707 6.786 462 HE21 GLN 62 1HE2 GLN 62 19.781 1.397 8.351 463 HE22 GLN 62 2HE2 GLN 62 21.476 1.319 8.025 464 H LYS 63 H LYS 63 14.810 0.747 3.868 465 HA LYS 63 HA LYS 63 15.534 1.498 1.256 466 HB2 LYS 63 2HB LYS 63 13.080 1.100 2.866 467 HB3 LYS 63 1HB LYS 63 13.015 2.100 1.424 468 HG2 LYS 63 2HG LYS 63 12.360 -0.173 1.034 469 HG3 LYS 63 1HG LYS 63 13.808 0.372 0.116 470 HD2 LYS 63 2HD LYS 63 15.176 -0.966 1.693 471 HD3 LYS 63 1HD LYS 63 13.683 -1.538 2.457 472 HE2 LYS 63 2HE LYS 63 12.946 -2.540 0.364 473 HE3 LYS 63 1HE LYS 63 14.352 -1.893 -0.469 474 HZ1 LYS 63 3HZ LYS 63 15.743 -3.323 0.961 475 HZ2 LYS 63 1HZ LYS 63 14.720 -4.186 -0.022 476 HZ3 LYS 63 2HZ LYS 63 14.378 -4.045 1.618 477 H LYS 64 H LYS 64 15.468 3.538 0.493 478 HA LYS 64 HA LYS 64 15.133 5.735 2.405 479 HB2 LYS 64 2HB LYS 64 16.823 5.577 -0.100 480 HB3 LYS 64 1HB LYS 64 16.572 7.029 0.845 481 HG2 LYS 64 2HG LYS 64 17.917 4.526 1.838 482 HG3 LYS 64 1HG LYS 64 18.741 5.978 1.267 483 HD2 LYS 64 2HD LYS 64 17.671 7.268 3.051 484 HD3 LYS 64 1HD LYS 64 16.869 5.804 3.617 485 HE2 LYS 64 2HE LYS 64 19.049 4.771 4.025 486 HE3 LYS 64 1HE LYS 64 19.843 6.234 3.454 487 HZ1 LYS 64 3HZ LYS 64 18.796 7.446 5.268 488 HZ2 LYS 64 1HZ LYS 64 19.745 6.195 5.863 489 HZ3 LYS 64 2HZ LYS 64 18.062 6.037 5.816 490 H SER 65 H SER 65 14.483 7.734 1.201 491 HA SER 65 HA SER 65 12.036 7.533 -0.044 492 HB2 SER 65 2HB SER 65 14.125 9.668 -0.529 493 HB3 SER 65 1HB SER 65 12.394 9.828 -0.824 494 HG SER 65 HG SER 65 13.678 9.395 1.668 495 H GLY 66 H GLY 66 11.523 6.481 -1.835 496 HA2 GLY 66 2HA GLY 66 11.618 6.688 -4.301 497 HA3 GLY 66 1HA GLY 66 13.369 6.624 -4.135 498 H GLU 67 H GLU 67 12.626 4.590 -1.862 499 HA GLU 67 HA GLU 67 12.378 2.305 -3.642 500 HB2 GLU 67 2HB GLU 67 13.968 2.576 -1.073 501 HB3 GLU 67 1HB GLU 67 13.588 1.037 -1.816 502 HG2 GLU 67 2HG GLU 67 15.840 1.600 -2.365 503 HG3 GLU 67 1HG GLU 67 14.873 1.744 -3.820 504 H VAL 68 H VAL 68 11.475 0.409 -2.536 505 HA VAL 68 HA VAL 68 9.362 1.241 -0.677 506 HB VAL 68 HB VAL 68 8.482 0.832 -2.961 507 HG11 VAL 68 1HG1 VAL 68 10.060 -0.865 -3.700 508 HG12 VAL 68 2HG1 VAL 68 8.392 -1.418 -3.904 509 HG13 VAL 68 3HG1 VAL 68 9.375 -2.010 -2.563 510 HG21 VAL 68 3HG2 VAL 68 6.643 -0.605 -2.348 511 HG22 VAL 68 1HG2 VAL 68 7.074 0.473 -1.016 512 HG23 VAL 68 2HG2 VAL 68 7.568 -1.220 -0.959 513 H ALA 69 H ALA 69 9.112 0.090 1.094 514 HA ALA 69 HA ALA 69 10.751 -2.305 1.488 515 HB1 ALA 69 1HB ALA 69 10.967 -0.550 3.195 516 HB2 ALA 69 2HB ALA 69 10.240 -1.998 3.886 517 HB3 ALA 69 3HB ALA 69 9.231 -0.606 3.495 518 H VAL 70 H VAL 70 9.754 -4.279 2.187 519 HA VAL 70 HA VAL 70 6.839 -4.335 1.744 520 HB VAL 70 HB VAL 70 8.774 -6.352 0.586 521 HG11 VAL 70 1HG1 VAL 70 5.797 -6.127 0.222 522 HG12 VAL 70 2HG1 VAL 70 6.656 -7.371 1.131 523 HG13 VAL 70 3HG1 VAL 70 6.852 -7.264 -0.617 524 HG21 VAL 70 3HG2 VAL 70 7.200 -4.216 -0.871 525 HG22 VAL 70 1HG2 VAL 70 8.168 -5.478 -1.640 526 HG23 VAL 70 2HG2 VAL 70 8.948 -4.252 -0.646 527 H LEU 71 H LEU 71 5.720 -5.697 2.997 528 HA LEU 71 HA LEU 71 7.127 -7.651 4.719 529 HB2 LEU 71 2HB LEU 71 4.644 -6.052 5.398 530 HB3 LEU 71 1HB LEU 71 5.294 -7.334 6.373 531 HG LEU 71 HG LEU 71 6.631 -4.684 5.836 532 HD11 LEU 71 1HD1 LEU 71 6.263 -4.293 8.222 533 HD12 LEU 71 2HD1 LEU 71 5.431 -5.844 8.350 534 HD13 LEU 71 3HD1 LEU 71 4.739 -4.552 7.373 535 HD21 LEU 71 3HD2 LEU 71 8.299 -6.454 6.036 536 HD22 LEU 71 1HD2 LEU 71 7.547 -7.012 7.533 537 HD23 LEU 71 2HD2 LEU 71 8.312 -5.425 7.466 538 H LYS 72 H LYS 72 6.158 -9.694 4.803 539 HA LYS 72 HA LYS 72 3.792 -9.955 3.110 540 HB2 LYS 72 2HB LYS 72 5.718 -11.158 2.221 541 HB3 LYS 72 1HB LYS 72 5.887 -12.029 3.749 542 HG2 LYS 72 2HG LYS 72 3.723 -13.103 3.370 543 HG3 LYS 72 1HG LYS 72 3.530 -12.195 1.871 544 HD2 LYS 72 2HD LYS 72 4.277 -14.446 1.384 545 HD3 LYS 72 1HD LYS 72 5.543 -13.293 0.975 546 HE2 LYS 72 2HE LYS 72 6.676 -13.804 3.106 547 HE3 LYS 72 1HE LYS 72 5.414 -14.982 3.475 548 HZ1 LYS 72 3HZ LYS 72 7.292 -15.074 1.189 549 HZ2 LYS 72 1HZ LYS 72 6.056 -16.182 1.468 550 HZ3 LYS 72 2HZ LYS 72 7.346 -16.065 2.561 551 H ARG 73 H ARG 73 2.046 -10.856 3.926 552 HA ARG 73 HA ARG 73 2.134 -11.470 6.814 553 HB2 ARG 73 2HB ARG 73 0.471 -9.772 5.825 554 HB3 ARG 73 1HB ARG 73 -0.318 -11.129 5.059 555 HG2 ARG 73 2HG ARG 73 -0.042 -10.716 8.052 556 HG3 ARG 73 1HG ARG 73 -1.480 -10.370 7.101 557 HD2 ARG 73 2HD ARG 73 -1.631 -12.770 6.543 558 HD3 ARG 73 1HD ARG 73 -0.215 -13.073 7.544 559 HE ARG 73 HE ARG 73 -2.287 -11.701 8.927 560 HH11 ARG 73 1HH1 ARG 73 -1.119 -14.884 7.990 561 HH12 ARG 73 2HH1 ARG 73 -2.018 -15.736 9.149 562 HH21 ARG 73 1HH2 ARG 73 -3.505 -12.851 10.572 563 HH22 ARG 73 2HH2 ARG 73 -3.421 -14.545 10.676 564 H ASP 74 H ASP 74 0.262 -12.686 4.065 565 HA ASP 74 HA ASP 74 1.292 -15.349 4.305 566 HB2 ASP 74 2HB ASP 74 -0.297 -15.492 6.147 567 HB3 ASP 74 1HB ASP 74 -1.559 -14.771 5.159 568 H GLY 75 H GLY 75 -1.525 -13.533 3.226 569 HA2 GLY 75 2HA GLY 75 -1.283 -14.802 0.611 570 HA3 GLY 75 1HA GLY 75 -2.681 -13.918 1.217 571 H ARG 76 H ARG 76 -1.453 -11.601 2.116 572 HA ARG 76 HA ARG 76 -0.678 -10.472 -0.471 573 HB2 ARG 76 2HB ARG 76 -1.309 -8.276 0.503 574 HB3 ARG 76 1HB ARG 76 -2.666 -9.378 0.232 575 HG2 ARG 76 2HG ARG 76 -2.883 -9.761 2.548 576 HG3 ARG 76 1HG ARG 76 -1.303 -9.056 2.892 577 HD2 ARG 76 2HD ARG 76 -3.211 -7.603 3.528 578 HD3 ARG 76 1HD ARG 76 -2.110 -6.860 2.383 579 HE ARG 76 HE ARG 76 -3.972 -7.722 0.709 580 HH11 ARG 76 1HH1 ARG 76 -4.523 -6.338 3.936 581 HH12 ARG 76 2HH1 ARG 76 -5.907 -5.471 3.418 582 HH21 ARG 76 1HH2 ARG 76 -5.888 -6.426 0.071 583 HH22 ARG 76 2HH2 ARG 76 -6.637 -5.527 1.246 584 H TYR 77 H TYR 77 0.713 -8.710 -0.527 585 HA TYR 77 HA TYR 77 2.823 -8.728 1.498 586 HB2 TYR 77 2HB TYR 77 2.815 -7.772 -1.387 587 HB3 TYR 77 1HB TYR 77 4.188 -7.671 -0.295 588 HD1 TYR 77 2HD TYR 77 2.038 -9.979 -2.210 589 HD2 TYR 77 1HD TYR 77 5.575 -9.568 0.108 590 HE1 TYR 77 2HE TYR 77 2.764 -12.210 -2.940 591 HE2 TYR 77 1HE TYR 77 6.316 -11.790 -0.608 592 HH TYR 77 HH TYR 77 4.789 -13.468 -3.164 593 H ILE 78 H ILE 78 3.376 -6.727 2.380 594 HA ILE 78 HA ILE 78 1.407 -4.597 1.934 595 HB ILE 78 HB ILE 78 3.380 -4.739 4.227 596 HG12 ILE 78 2HG1 ILE 78 2.035 -6.821 4.299 597 HG13 ILE 78 1HG1 ILE 78 1.646 -5.752 5.638 598 HG21 ILE 78 1HG2 ILE 78 0.709 -3.389 3.859 599 HG22 ILE 78 2HG2 ILE 78 2.292 -2.601 3.797 600 HG23 ILE 78 3HG2 ILE 78 1.701 -3.296 5.315 601 HD11 ILE 78 3HD1 ILE 78 -0.373 -5.045 4.455 602 HD12 ILE 78 1HD1 ILE 78 -0.312 -6.794 4.734 603 HD13 ILE 78 2HD1 ILE 78 0.050 -6.141 3.130 604 H TYR 79 H TYR 79 2.118 -2.890 0.870 605 HA TYR 79 HA TYR 79 4.981 -2.589 0.368 606 HB2 TYR 79 2HB TYR 79 2.583 -1.420 -1.029 607 HB3 TYR 79 1HB TYR 79 4.242 -0.989 -1.416 608 HD1 TYR 79 1HD TYR 79 2.007 -3.960 -1.121 609 HD2 TYR 79 2HD TYR 79 5.362 -2.180 -3.021 610 HE1 TYR 79 1HE TYR 79 2.177 -5.890 -2.602 611 HE2 TYR 79 2HE TYR 79 5.552 -4.096 -4.486 612 HH TYR 79 HH TYR 79 3.151 -6.463 -4.762 613 H TYR 80 H TYR 80 6.122 -1.091 1.241 614 HA TYR 80 HA TYR 80 4.787 1.219 2.420 615 HB2 TYR 80 2HB TYR 80 7.290 -0.227 3.244 616 HB3 TYR 80 1HB TYR 80 6.808 1.326 3.912 617 HD1 TYR 80 2HD TYR 80 5.960 -2.258 3.706 618 HD2 TYR 80 1HD TYR 80 5.098 1.464 5.554 619 HE1 TYR 80 2HE TYR 80 4.603 -3.413 5.395 620 HE2 TYR 80 1HE TYR 80 3.738 0.319 7.241 621 HH TYR 80 HH TYR 80 3.767 -3.039 7.646 622 H LEU 81 H LEU 81 4.904 2.579 0.726 623 HA LEU 81 HA LEU 81 7.253 2.992 -0.864 624 HB2 LEU 81 2HB LEU 81 4.753 4.640 -0.486 625 HB3 LEU 81 1HB LEU 81 5.961 4.916 -1.709 626 HG LEU 81 HG LEU 81 4.161 3.940 -2.777 627 HD11 LEU 81 1HD1 LEU 81 4.947 1.772 -3.583 628 HD12 LEU 81 2HD1 LEU 81 6.155 1.767 -2.310 629 HD13 LEU 81 3HD1 LEU 81 6.198 3.002 -3.571 630 HD21 LEU 81 3HD2 LEU 81 3.061 1.848 -2.155 631 HD22 LEU 81 1HD2 LEU 81 2.897 3.074 -0.894 632 HD23 LEU 81 2HD2 LEU 81 4.060 1.755 -0.710 633 H ILE 82 H ILE 82 8.934 4.181 -0.251 634 HA ILE 82 HA ILE 82 8.659 5.879 2.145 635 HB ILE 82 HB ILE 82 11.162 5.425 0.494 636 HG12 ILE 82 2HG1 ILE 82 10.381 3.218 1.309 637 HG13 ILE 82 1HG1 ILE 82 11.863 3.724 2.104 638 HG21 ILE 82 1HG2 ILE 82 12.287 6.081 2.555 639 HG22 ILE 82 2HG2 ILE 82 10.729 6.326 3.344 640 HG23 ILE 82 3HG2 ILE 82 11.205 7.351 1.987 641 HD11 ILE 82 3HD1 ILE 82 10.557 4.373 4.079 642 HD12 ILE 82 1HD1 ILE 82 10.369 2.674 3.668 643 HD13 ILE 82 2HD1 ILE 82 9.088 3.821 3.267 644 H THR 83 H THR 83 7.669 7.666 1.719 645 HA THR 83 HA THR 83 8.014 8.944 -0.787 646 HB THR 83 HB THR 83 6.533 10.723 0.320 647 HG1 THR 83 1HG THR 83 5.329 9.750 2.124 648 HG21 THR 83 3HG2 THR 83 5.721 9.108 -1.320 649 HG22 THR 83 1HG2 THR 83 4.530 9.319 -0.038 650 HG23 THR 83 2HG2 THR 83 5.556 7.888 -0.059 651 H LYS 84 H LYS 84 8.930 9.771 2.548 652 HA LYS 84 HA LYS 84 11.141 11.237 1.520 653 HB2 LYS 84 2HB LYS 84 8.913 12.769 2.882 654 HB3 LYS 84 1HB LYS 84 10.550 13.377 2.833 655 HG2 LYS 84 2HG LYS 84 8.998 12.735 0.320 656 HG3 LYS 84 1HG LYS 84 8.850 14.287 1.125 657 HD2 LYS 84 2HD LYS 84 10.418 14.390 -0.783 658 HD3 LYS 84 1HD LYS 84 11.241 14.741 0.716 659 HE2 LYS 84 2HE LYS 84 12.220 12.501 0.712 660 HE3 LYS 84 1HE LYS 84 11.329 12.084 -0.765 661 HZ1 LYS 84 3HZ LYS 84 13.615 12.669 -1.222 662 HZ2 LYS 84 1HZ LYS 84 13.462 14.142 -0.452 663 HZ3 LYS 84 2HZ LYS 84 12.634 13.848 -1.886 664 H LYS 85 H LYS 85 12.244 12.460 3.437 665 HA LYS 85 HA LYS 85 13.198 10.493 5.171 666 HB2 LYS 85 2HB LYS 85 13.431 13.482 5.434 667 HB3 LYS 85 1HB LYS 85 14.439 12.294 6.244 668 HG2 LYS 85 2HG LYS 85 15.193 11.497 4.008 669 HG3 LYS 85 1HG LYS 85 14.247 12.811 3.306 670 HD2 LYS 85 2HD LYS 85 16.610 13.400 3.470 671 HD3 LYS 85 1HD LYS 85 15.603 14.448 4.461 672 HE2 LYS 85 2HE LYS 85 16.222 13.267 6.453 673 HE3 LYS 85 1HE LYS 85 17.094 12.044 5.528 674 HZ1 LYS 85 3HZ LYS 85 17.784 14.920 5.716 675 HZ2 LYS 85 1HZ LYS 85 18.618 13.746 4.823 676 HZ3 LYS 85 2HZ LYS 85 18.578 13.628 6.499 677 H ARG 86 H ARG 86 11.330 13.372 6.040 678 HA ARG 86 HA ARG 86 10.811 12.182 8.653 679 HB2 ARG 86 2HB ARG 86 10.197 14.950 7.649 680 HB3 ARG 86 1HB ARG 86 9.941 14.392 9.288 681 HG2 ARG 86 2HG ARG 86 12.596 14.638 7.896 682 HG3 ARG 86 1HG ARG 86 11.948 15.762 9.089 683 HD2 ARG 86 2HD ARG 86 11.833 13.970 10.670 684 HD3 ARG 86 1HD ARG 86 12.588 12.874 9.495 685 HE ARG 86 HE ARG 86 13.998 15.329 10.172 686 HH11 ARG 86 1HH1 ARG 86 13.866 11.763 10.613 687 HH12 ARG 86 2HH1 ARG 86 15.430 11.712 11.241 688 HH21 ARG 86 1HH2 ARG 86 16.124 15.151 11.051 689 HH22 ARG 86 2HH2 ARG 86 16.748 13.629 11.505 690 H ALA 87 H ALA 87 8.725 11.983 9.484 691 HA ALA 87 HA ALA 87 6.724 11.237 7.611 692 HB1 ALA 87 1HB ALA 87 7.056 10.093 9.774 693 HB2 ALA 87 2HB ALA 87 5.406 10.655 9.560 694 HB3 ALA 87 3HB ALA 87 6.509 11.546 10.614 695 H SER 88 H SER 88 7.534 14.148 9.193 696 HA SER 88 HA SER 88 4.956 15.388 8.834 697 HB2 SER 88 2HB SER 88 7.636 16.579 9.601 698 HB3 SER 88 1HB SER 88 6.071 17.390 9.720 699 HG SER 88 HG SER 88 5.444 15.982 11.250 700 H HIS 89 H HIS 89 7.321 14.480 6.732 701 HA HIS 89 HA HIS 89 7.453 16.876 5.153 702 HB2 HIS 89 2HB HIS 89 8.591 14.126 4.748 703 HB3 HIS 89 1HB HIS 89 8.580 15.282 3.443 704 HD1 HIS 89 1HD HIS 89 11.248 15.071 3.577 705 HD2 HIS 89 2HD HIS 89 9.380 16.785 6.840 706 HE1 HIS 89 1HE HIS 89 13.067 16.112 4.840 707 HE2 HIS 89 2HE HIS 89 11.837 17.541 6.553 708 H LYS 90 H LYS 90 6.868 16.987 3.087 709 HA LYS 90 HA LYS 90 4.365 15.594 2.513 710 HB2 LYS 90 2HB LYS 90 5.450 18.213 1.409 711 HB3 LYS 90 1HB LYS 90 4.002 17.441 0.794 712 HG2 LYS 90 2HG LYS 90 3.393 19.244 2.310 713 HG3 LYS 90 1HG LYS 90 2.939 17.699 3.020 714 HD2 LYS 90 2HD LYS 90 4.988 17.773 4.406 715 HD3 LYS 90 1HD LYS 90 5.381 19.341 3.710 716 HE2 LYS 90 2HE LYS 90 3.331 20.278 4.647 717 HE3 LYS 90 1HE LYS 90 2.902 18.700 5.307 718 HZ1 LYS 90 3HZ LYS 90 5.278 20.318 6.062 719 HZ2 LYS 90 1HZ LYS 90 4.903 18.797 6.703 720 HZ3 LYS 90 2HZ LYS 90 3.896 20.126 6.975 721 HA PRO 91 HA PRO 91 6.436 13.123 -0.476 722 HB2 PRO 91 2HB PRO 91 4.273 12.448 -2.023 723 HB3 PRO 91 1HB PRO 91 4.652 11.696 -0.471 724 HG2 PRO 91 2HG PRO 91 2.702 13.869 -1.097 725 HG3 PRO 91 1HG PRO 91 2.517 12.483 -0.009 726 HD2 PRO 91 2HD PRO 91 3.053 14.960 0.893 727 HD3 PRO 91 1HD PRO 91 3.698 13.510 1.693 728 H THR 92 H THR 92 7.230 13.173 -2.610 729 HA THR 92 HA THR 92 6.674 15.620 -4.055 730 HB THR 92 HB THR 92 8.929 14.912 -5.096 731 HG1 THR 92 1HG THR 92 10.138 13.609 -3.668 732 HG21 THR 92 3HG2 THR 92 10.194 15.863 -3.310 733 HG22 THR 92 1HG2 THR 92 8.857 15.596 -2.182 734 HG23 THR 92 2HG2 THR 92 8.687 16.769 -3.522 735 H TYR 93 H TYR 93 6.579 15.379 -6.354 736 HA TYR 93 HA TYR 93 5.033 13.191 -7.131 737 HB2 TYR 93 2HB TYR 93 6.307 15.408 -8.667 738 HB3 TYR 93 1HB TYR 93 5.355 14.154 -9.452 739 HD1 TYR 93 1HD TYR 93 5.169 16.939 -6.942 740 HD2 TYR 93 2HD TYR 93 3.034 14.184 -9.396 741 HE1 TYR 93 1HE TYR 93 3.121 18.156 -6.518 742 HE2 TYR 93 2HE TYR 93 0.984 15.381 -8.972 743 HH TYR 93 HH TYR 93 0.980 18.501 -7.515 744 H GLU 94 H GLU 94 8.403 14.110 -7.853 745 HA GLU 94 HA GLU 94 8.975 11.976 -9.694 746 HB2 GLU 94 2HB GLU 94 10.239 14.102 -9.531 747 HB3 GLU 94 1HB GLU 94 10.775 13.642 -7.926 748 HG2 GLU 94 2HG GLU 94 11.844 11.663 -8.927 749 HG3 GLU 94 1HG GLU 94 11.420 12.311 -10.518 750 H ASN 95 H ASN 95 9.445 12.327 -6.220 751 HA ASN 95 HA ASN 95 10.822 9.844 -6.109 752 HB2 ASN 95 2HB ASN 95 11.244 11.662 -4.515 753 HB3 ASN 95 1HB ASN 95 9.628 11.462 -3.865 754 HD21 ASN 95 1HD2 ASN 95 9.185 9.711 -2.657 755 HD22 ASN 95 2HD2 ASN 95 10.360 8.661 -1.968 756 H LEU 96 H LEU 96 7.492 10.920 -5.383 757 HA LEU 96 HA LEU 96 6.484 8.440 -4.556 758 HB2 LEU 96 2HB LEU 96 5.249 10.575 -4.434 759 HB3 LEU 96 1HB LEU 96 5.128 10.598 -6.176 760 HG LEU 96 HG LEU 96 3.725 8.544 -6.059 761 HD11 LEU 96 1HD1 LEU 96 4.537 7.660 -3.930 762 HD12 LEU 96 2HD1 LEU 96 2.789 7.890 -3.909 763 HD13 LEU 96 3HD1 LEU 96 3.838 9.043 -3.086 764 HD21 LEU 96 3HD2 LEU 96 2.731 10.762 -6.222 765 HD22 LEU 96 1HD2 LEU 96 2.784 10.918 -4.465 766 HD23 LEU 96 2HD2 LEU 96 1.750 9.699 -5.204 767 H GLN 97 H GLN 97 6.935 9.846 -7.807 768 HA GLN 97 HA GLN 97 5.853 7.933 -9.375 769 HB2 GLN 97 2HB GLN 97 6.573 10.090 -10.132 770 HB3 GLN 97 1HB GLN 97 8.219 9.767 -9.638 771 HG2 GLN 97 2HG GLN 97 8.518 8.272 -11.221 772 HG3 GLN 97 1HG GLN 97 6.793 8.256 -11.765 773 HE21 GLN 97 1HE2 GLN 97 7.205 8.979 -13.880 774 HE22 GLN 97 2HE2 GLN 97 7.879 10.519 -14.239 775 H LYS 98 H LYS 98 9.177 8.163 -8.087 776 HA LYS 98 HA LYS 98 10.025 5.680 -9.148 777 HB2 LYS 98 2HB LYS 98 11.109 7.256 -6.823 778 HB3 LYS 98 1HB LYS 98 11.849 5.777 -7.396 779 HG2 LYS 98 2HG LYS 98 12.159 6.863 -9.615 780 HG3 LYS 98 1HG LYS 98 11.543 8.362 -8.905 781 HD2 LYS 98 2HD LYS 98 13.337 8.394 -7.296 782 HD3 LYS 98 1HD LYS 98 13.909 6.822 -7.853 783 HE2 LYS 98 2HE LYS 98 14.379 7.808 -10.057 784 HE3 LYS 98 1HE LYS 98 13.864 9.378 -9.440 785 HZ1 LYS 98 3HZ LYS 98 15.656 9.305 -7.830 786 HZ2 LYS 98 1HZ LYS 98 16.289 9.106 -9.378 787 HZ3 LYS 98 2HZ LYS 98 16.145 7.792 -8.373 788 H SER 99 H SER 99 8.439 6.506 -6.158 789 HA SER 99 HA SER 99 8.665 4.045 -4.759 790 HB2 SER 99 2HB SER 99 6.412 6.075 -4.769 791 HB3 SER 99 1HB SER 99 6.706 4.860 -3.529 792 HG SER 99 HG SER 99 8.544 6.926 -4.233 793 H LEU 100 H LEU 100 6.114 5.265 -7.029 794 HA LEU 100 HA LEU 100 4.589 2.913 -7.105 795 HB2 LEU 100 2HB LEU 100 4.864 5.328 -8.856 796 HB3 LEU 100 1HB LEU 100 3.893 3.973 -9.382 797 HG LEU 100 HG LEU 100 2.706 5.916 -8.348 798 HD11 LEU 100 1HD1 LEU 100 1.131 4.443 -7.056 799 HD12 LEU 100 2HD1 LEU 100 2.354 3.173 -7.058 800 HD13 LEU 100 3HD1 LEU 100 1.637 3.710 -8.573 801 HD21 LEU 100 3HD2 LEU 100 2.539 6.005 -5.893 802 HD22 LEU 100 1HD2 LEU 100 4.167 6.370 -6.464 803 HD23 LEU 100 2HD2 LEU 100 3.807 4.786 -5.778 804 H GLU 101 H GLU 101 7.208 4.006 -9.221 805 HA GLU 101 HA GLU 101 7.263 1.877 -11.019 806 HB2 GLU 101 2HB GLU 101 9.491 3.463 -9.768 807 HB3 GLU 101 1HB GLU 101 9.750 2.315 -11.068 808 HG2 GLU 101 2HG GLU 101 7.806 4.536 -11.307 809 HG3 GLU 101 1HG GLU 101 9.524 4.793 -11.591 810 H ALA 102 H ALA 102 8.851 2.236 -7.962 811 HA ALA 102 HA ALA 102 10.139 -0.242 -7.784 812 HB1 ALA 102 1HB ALA 102 10.541 1.650 -6.219 813 HB2 ALA 102 2HB ALA 102 10.333 0.098 -5.429 814 HB3 ALA 102 3HB ALA 102 9.010 1.260 -5.421 815 H MET 103 H MET 103 6.834 0.606 -6.552 816 HA MET 103 HA MET 103 6.418 -1.979 -5.591 817 HB2 MET 103 2HB MET 103 4.015 -1.125 -5.422 818 HB3 MET 103 1HB MET 103 5.244 -0.288 -4.462 819 HG2 MET 103 2HG MET 103 5.301 1.439 -6.098 820 HG3 MET 103 1HG MET 103 4.146 0.540 -7.095 821 HE1 MET 103 3HE MET 103 1.879 0.229 -6.581 822 HE2 MET 103 1HE MET 103 0.908 0.703 -5.155 823 HE3 MET 103 2HE MET 103 2.186 -0.549 -5.035 824 H LYS 104 H LYS 104 5.560 -0.396 -8.708 825 HA LYS 104 HA LYS 104 3.855 -2.472 -9.471 826 HB2 LYS 104 2HB LYS 104 3.898 -1.481 -11.696 827 HB3 LYS 104 1HB LYS 104 3.750 -0.248 -10.473 828 HG2 LYS 104 2HG LYS 104 5.091 0.624 -12.087 829 HG3 LYS 104 1HG LYS 104 6.202 0.174 -10.793 830 HD2 LYS 104 2HD LYS 104 6.808 -1.840 -12.062 831 HD3 LYS 104 1HD LYS 104 5.636 -1.349 -13.303 832 HE2 LYS 104 2HE LYS 104 6.879 0.576 -13.843 833 HE3 LYS 104 1HE LYS 104 7.991 0.340 -12.486 834 HZ1 LYS 104 3HZ LYS 104 8.964 -0.358 -14.596 835 HZ2 LYS 104 1HZ LYS 104 7.711 -1.440 -14.850 836 HZ3 LYS 104 2HZ LYS 104 8.773 -1.679 -13.570 837 H SER 105 H SER 105 7.328 -2.003 -9.857 838 HA SER 105 HA SER 105 7.721 -4.216 -11.546 839 HB2 SER 105 2HB SER 105 9.659 -2.886 -9.645 840 HB3 SER 105 1HB SER 105 10.094 -3.960 -10.977 841 HG SER 105 HG SER 105 9.796 -1.393 -11.054 842 H HIS 106 H HIS 106 7.714 -3.838 -8.041 843 HA HIS 106 HA HIS 106 8.628 -6.483 -7.440 844 HB2 HIS 106 2HB HIS 106 8.634 -4.699 -5.735 845 HB3 HIS 106 1HB HIS 106 6.872 -4.692 -5.776 846 HD1 HIS 106 1HD HIS 106 5.860 -6.057 -3.951 847 HD2 HIS 106 2HD HIS 106 9.442 -7.557 -5.293 848 HE1 HIS 106 1HE HIS 106 6.272 -7.947 -2.476 849 HE2 HIS 106 2HE HIS 106 8.628 -8.731 -3.067 850 H CYS 107 H CYS 107 5.406 -5.158 -7.961 851 HA CYS 107 HA CYS 107 4.039 -7.476 -7.221 852 HB2 CYS 107 2HB CYS 107 3.301 -5.359 -9.231 853 HB3 CYS 107 1HB CYS 107 2.180 -6.556 -8.587 854 HG CYS 107 HG CYS 107 3.599 -3.902 -7.051 855 H LEU 108 H LEU 108 5.536 -6.475 -10.243 856 HA LEU 108 HA LEU 108 4.646 -8.542 -11.896 857 HB2 LEU 108 2HB LEU 108 7.303 -7.142 -11.906 858 HB3 LEU 108 1HB LEU 108 6.608 -8.052 -13.225 859 HG LEU 108 HG LEU 108 5.597 -5.448 -12.107 860 HD11 LEU 108 1HD1 LEU 108 6.851 -6.124 -14.748 861 HD12 LEU 108 2HD1 LEU 108 7.620 -5.284 -13.408 862 HD13 LEU 108 3HD1 LEU 108 6.258 -4.533 -14.253 863 HD21 LEU 108 3HD2 LEU 108 3.787 -6.850 -12.796 864 HD22 LEU 108 1HD2 LEU 108 4.548 -7.130 -14.366 865 HD23 LEU 108 2HD2 LEU 108 3.976 -5.510 -13.930 866 H LYS 109 H LYS 109 7.397 -8.276 -9.683 867 HA LYS 109 HA LYS 109 8.625 -10.712 -10.516 868 HB2 LYS 109 2HB LYS 109 9.019 -9.124 -7.995 869 HB3 LYS 109 1HB LYS 109 10.102 -10.356 -8.642 870 HG2 LYS 109 2HG LYS 109 10.373 -9.047 -10.631 871 HG3 LYS 109 1HG LYS 109 9.363 -7.787 -9.972 872 HD2 LYS 109 2HD LYS 109 11.704 -7.152 -9.631 873 HD3 LYS 109 1HD LYS 109 10.924 -7.471 -8.085 874 HE2 LYS 109 2HE LYS 109 11.934 -9.680 -8.008 875 HE3 LYS 109 1HE LYS 109 12.670 -9.414 -9.589 876 HZ1 LYS 109 3HZ LYS 109 14.241 -9.027 -7.813 877 HZ2 LYS 109 1HZ LYS 109 13.216 -7.859 -7.129 878 HZ3 LYS 109 2HZ LYS 109 13.924 -7.578 -8.614 879 H ASN 110 H ASN 110 6.234 -9.918 -8.326 880 HA ASN 110 HA ASN 110 6.466 -12.568 -7.014 881 HB2 ASN 110 2HB ASN 110 5.044 -10.128 -5.935 882 HB3 ASN 110 1HB ASN 110 4.954 -11.715 -5.187 883 HD21 ASN 110 1HD2 ASN 110 7.798 -10.327 -6.672 884 HD22 ASN 110 2HD2 ASN 110 8.744 -10.203 -5.231 885 H GLY 111 H GLY 111 4.589 -11.101 -9.315 886 HA2 GLY 111 2HA GLY 111 2.845 -12.055 -10.482 887 HA3 GLY 111 1HA GLY 111 2.777 -13.340 -9.280 888 H VAL 112 H VAL 112 2.620 -9.906 -8.668 889 HA VAL 112 HA VAL 112 -0.031 -10.289 -7.508 890 HB VAL 112 HB VAL 112 1.971 -8.044 -7.069 891 HG11 VAL 112 1HG1 VAL 112 -0.319 -7.268 -6.816 892 HG12 VAL 112 2HG1 VAL 112 0.498 -7.328 -5.252 893 HG13 VAL 112 3HG1 VAL 112 -0.658 -8.587 -5.693 894 HG21 VAL 112 3HG2 VAL 112 2.233 -8.996 -4.819 895 HG22 VAL 112 1HG2 VAL 112 2.722 -10.133 -6.081 896 HG23 VAL 112 2HG2 VAL 112 1.164 -10.323 -5.277 897 H THR 113 H THR 113 -1.712 -9.365 -8.452 898 HA THR 113 HA THR 113 -1.312 -7.187 -10.388 899 HB THR 113 HB THR 113 -3.184 -8.346 -11.709 900 HG1 THR 113 1HG THR 113 -3.868 -10.096 -10.770 901 HG21 THR 113 3HG2 THR 113 -0.885 -8.187 -12.547 902 HG22 THR 113 1HG2 THR 113 -1.590 -9.749 -12.965 903 HG23 THR 113 2HG2 THR 113 -0.444 -9.628 -11.630 904 H ASP 114 H ASP 114 -2.573 -7.800 -7.525 905 HA ASP 114 HA ASP 114 -4.673 -5.858 -8.005 906 HB2 ASP 114 2HB ASP 114 -5.086 -8.398 -6.390 907 HB3 ASP 114 1HB ASP 114 -6.174 -7.013 -6.336 908 H LEU 115 H LEU 115 -4.802 -4.332 -6.592 909 HA LEU 115 HA LEU 115 -3.154 -4.348 -4.147 910 HB2 LEU 115 2HB LEU 115 -2.876 -2.444 -6.442 911 HB3 LEU 115 1HB LEU 115 -2.259 -2.027 -4.877 912 HG LEU 115 HG LEU 115 -1.351 -4.332 -6.608 913 HD11 LEU 115 1HD1 LEU 115 0.713 -3.013 -6.779 914 HD12 LEU 115 2HD1 LEU 115 -0.034 -1.734 -5.816 915 HD13 LEU 115 3HD1 LEU 115 -0.672 -2.119 -7.412 916 HD21 LEU 115 3HD2 LEU 115 0.415 -4.628 -4.943 917 HD22 LEU 115 1HD2 LEU 115 -1.181 -4.876 -4.240 918 HD23 LEU 115 2HD2 LEU 115 -0.310 -3.373 -3.939 919 H SER 116 H SER 116 -3.842 -2.967 -2.477 920 HA SER 116 HA SER 116 -5.963 -1.086 -3.100 921 HB2 SER 116 2HB SER 116 -6.898 -1.643 -0.837 922 HB3 SER 116 1HB SER 116 -7.040 -2.953 -2.010 923 HG SER 116 HG SER 116 -5.788 -4.119 -0.893 924 H MET 117 H MET 117 -5.799 0.883 -2.016 925 HA MET 117 HA MET 117 -3.914 1.279 0.108 926 HB2 MET 117 2HB MET 117 -2.488 2.902 -1.062 927 HB3 MET 117 1HB MET 117 -2.359 1.322 -1.799 928 HG2 MET 117 2HG MET 117 -4.135 3.492 -2.869 929 HG3 MET 117 1HG MET 117 -2.458 3.308 -3.354 930 HE1 MET 117 3HE MET 117 -1.515 1.336 -4.657 931 HE2 MET 117 1HE MET 117 -2.430 -0.067 -5.212 932 HE3 MET 117 2HE MET 117 -2.076 0.148 -3.489 933 HA PRO 118 HA PRO 118 -6.532 4.977 0.299 934 HB2 PRO 118 2HB PRO 118 -5.264 6.417 2.113 935 HB3 PRO 118 1HB PRO 118 -5.853 4.815 2.584 936 HG2 PRO 118 2HG PRO 118 -3.091 5.632 1.756 937 HG3 PRO 118 1HG PRO 118 -3.578 4.666 3.160 938 HD2 PRO 118 2HD PRO 118 -2.705 3.591 0.801 939 HD3 PRO 118 1HD PRO 118 -3.808 2.753 1.908 940 H ARG 119 H ARG 119 -5.579 7.581 0.608 941 HA ARG 119 HA ARG 119 -4.313 8.051 -1.910 942 HB2 ARG 119 2HB ARG 119 -5.123 9.941 0.303 943 HB3 ARG 119 1HB ARG 119 -4.438 10.458 -1.231 944 HG2 ARG 119 2HG ARG 119 -6.317 9.580 -2.441 945 HG3 ARG 119 1HG ARG 119 -6.976 8.864 -0.971 946 HD2 ARG 119 2HD ARG 119 -6.545 11.811 -1.414 947 HD3 ARG 119 1HD ARG 119 -8.086 10.976 -1.622 948 HE ARG 119 HE ARG 119 -7.463 10.293 0.859 949 HH11 ARG 119 1HH1 ARG 119 -7.407 13.464 -0.688 950 HH12 ARG 119 2HH1 ARG 119 -7.750 14.340 0.730 951 HH21 ARG 119 1HH2 ARG 119 -8.028 11.478 2.820 952 HH22 ARG 119 2HH2 ARG 119 -8.111 13.180 2.761 953 H ILE 120 H ILE 120 -2.374 7.011 -1.714 954 HA ILE 120 HA ILE 120 -0.554 7.509 0.397 955 HB ILE 120 HB ILE 120 1.135 6.242 -0.787 956 HG12 ILE 120 2HG1 ILE 120 0.729 7.159 -3.111 957 HG13 ILE 120 1HG1 ILE 120 0.960 5.419 -3.053 958 HG21 ILE 120 1HG2 ILE 120 -0.620 5.051 0.328 959 HG22 ILE 120 2HG2 ILE 120 -0.037 4.136 -1.082 960 HG23 ILE 120 3HG2 ILE 120 -1.565 5.020 -1.147 961 HD11 ILE 120 3HD1 ILE 120 -1.634 6.882 -3.293 962 HD12 ILE 120 1HD1 ILE 120 -1.434 5.128 -3.207 963 HD13 ILE 120 2HD1 ILE 120 -0.793 6.018 -4.597 964 H GLY 121 H GLY 121 -0.986 9.004 -2.691 965 HA2 GLY 121 2HA GLY 121 1.419 10.576 -2.471 966 HA3 GLY 121 1HA GLY 121 0.157 10.765 -3.683 967 H CYS 122 H CYS 122 -1.664 10.644 -1.203 968 HA CYS 122 HA CYS 122 -2.798 12.015 0.130 969 HB2 CYS 122 2HB CYS 122 -0.218 13.582 0.248 970 HB3 CYS 122 1HB CYS 122 -1.590 13.790 1.328 971 HG CYS 122 HG CYS 122 -0.009 10.806 1.039 972 H GLY 123 H GLY 123 -3.298 14.521 0.454 973 HA2 GLY 123 2HA GLY 123 -3.151 16.012 -2.044 974 HA3 GLY 123 1HA GLY 123 -4.758 15.587 -1.456 975 H LEU 124 H LEU 124 -2.044 16.278 0.605 976 HA LEU 124 HA LEU 124 -3.667 18.255 1.918 977 HB2 LEU 124 2HB LEU 124 -0.953 17.202 2.716 978 HB3 LEU 124 1HB LEU 124 -1.803 18.450 3.589 979 HG LEU 124 HG LEU 124 -3.630 16.773 4.022 980 HD11 LEU 124 1HD1 LEU 124 -3.142 15.206 2.230 981 HD12 LEU 124 2HD1 LEU 124 -3.117 14.418 3.814 982 HD13 LEU 124 3HD1 LEU 124 -1.601 14.823 3.003 983 HD21 LEU 124 3HD2 LEU 124 -0.883 16.138 5.063 984 HD22 LEU 124 1HD2 LEU 124 -2.416 15.657 5.802 985 HD23 LEU 124 2HD2 LEU 124 -1.984 17.361 5.694 986 H ASP 125 H ASP 125 -3.685 19.670 0.189 987 HA ASP 125 HA ASP 125 -3.371 21.725 -0.600 988 HB2 ASP 125 2HB ASP 125 -3.127 22.434 1.690 989 HB3 ASP 125 1HB ASP 125 -1.412 22.047 1.664 990 H ARG 126 H ARG 126 -0.152 20.466 0.063 991 HA ARG 126 HA ARG 126 1.024 22.051 -2.000 992 HB2 ARG 126 2HB ARG 126 2.194 19.813 -0.376 993 HB3 ARG 126 1HB ARG 126 3.110 20.716 -1.578 994 HG2 ARG 126 2HG ARG 126 1.769 21.895 0.850 995 HG3 ARG 126 1HG ARG 126 3.496 21.559 0.691 996 HD2 ARG 126 2HD ARG 126 3.648 23.152 -1.167 997 HD3 ARG 126 1HD ARG 126 1.920 23.462 -1.068 998 HE ARG 126 HE ARG 126 3.076 23.947 1.413 999 HH11 ARG 126 1HH1 ARG 126 3.109 25.333 -1.852 1000 HH12 ARG 126 2HH1 ARG 126 3.267 26.932 -1.320 1001 HH21 ARG 126 1HH2 ARG 126 3.310 26.145 2.131 1002 HH22 ARG 126 2HH2 ARG 126 3.412 27.414 0.999 1003 H LEU 127 H LEU 127 -0.390 18.918 -2.100 1004 HA LEU 127 HA LEU 127 -0.019 19.116 -4.890 1005 HB2 LEU 127 2HB LEU 127 0.553 16.748 -5.243 1006 HB3 LEU 127 1HB LEU 127 1.817 17.658 -4.473 1007 HG LEU 127 HG LEU 127 -0.014 15.783 -2.965 1008 HD11 LEU 127 1HD1 LEU 127 2.741 15.361 -4.128 1009 HD12 LEU 127 2HD1 LEU 127 1.251 14.634 -4.730 1010 HD13 LEU 127 3HD1 LEU 127 1.851 14.207 -3.122 1011 HD21 LEU 127 3HD2 LEU 127 1.166 17.550 -1.707 1012 HD22 LEU 127 1HD2 LEU 127 2.682 16.949 -2.382 1013 HD23 LEU 127 2HD2 LEU 127 1.747 15.918 -1.282 1014 H GLN 128 H GLN 128 -1.448 17.609 -6.096 1015 HA GLN 128 HA GLN 128 -3.937 17.413 -4.631 1016 HB2 GLN 128 2HB GLN 128 -3.893 19.162 -6.293 1017 HB3 GLN 128 1HB GLN 128 -3.272 18.043 -7.495 1018 HG2 GLN 128 2HG GLN 128 -5.267 16.778 -7.354 1019 HG3 GLN 128 1HG GLN 128 -5.945 17.913 -6.176 1020 HE21 GLN 128 1HE2 GLN 128 -7.654 18.515 -7.541 1021 HE22 GLN 128 2HE2 GLN 128 -7.400 19.467 -8.961 1022 H TRP 129 H TRP 129 -4.899 15.455 -4.687 1023 HA TRP 129 HA TRP 129 -3.497 13.170 -5.409 1024 HB2 TRP 129 2HB TRP 129 -5.199 12.956 -3.745 1025 HB3 TRP 129 1HB TRP 129 -6.442 13.539 -4.846 1026 HD1 TRP 129 HD TRP 129 -7.654 11.786 -6.312 1027 HE1 TRP 129 1HE TRP 129 -7.438 9.278 -6.682 1028 HE3 TRP 129 3HE TRP 129 -3.327 10.973 -3.727 1029 HZ2 TRP 129 2HZ TRP 129 -5.689 7.199 -5.964 1030 HZ3 TRP 129 3HZ TRP 129 -2.449 8.689 -3.624 1031 HH2 TRP 129 HH TRP 129 -3.612 6.829 -4.720 1032 H GLU 130 H GLU 130 -5.792 15.015 -7.262 1033 HA GLU 130 HA GLU 130 -6.385 13.301 -9.350 1034 HB2 GLU 130 2HB GLU 130 -7.378 15.501 -9.077 1035 HB3 GLU 130 1HB GLU 130 -5.837 16.260 -9.444 1036 HG2 GLU 130 2HG GLU 130 -5.936 15.320 -11.698 1037 HG3 GLU 130 1HG GLU 130 -7.506 14.614 -11.317 1038 H ASN 131 H ASN 131 -3.575 15.429 -8.996 1039 HA ASN 131 HA ASN 131 -2.346 14.835 -11.488 1040 HB2 ASN 131 2HB ASN 131 -1.024 15.754 -8.917 1041 HB3 ASN 131 1HB ASN 131 -0.321 15.844 -10.528 1042 HD21 ASN 131 1HD2 ASN 131 -0.733 17.924 -8.619 1043 HD22 ASN 131 2HD2 ASN 131 -1.771 19.098 -9.346 1044 H VAL 132 H VAL 132 -2.102 13.562 -8.244 1045 HA VAL 132 HA VAL 132 0.008 11.759 -8.616 1046 HB VAL 132 HB VAL 132 -2.323 11.595 -6.682 1047 HG11 VAL 132 1HG1 VAL 132 -1.220 9.446 -6.932 1048 HG12 VAL 132 2HG1 VAL 132 -0.883 10.134 -5.345 1049 HG13 VAL 132 3HG1 VAL 132 0.344 10.196 -6.617 1050 HG21 VAL 132 3HG2 VAL 132 -0.770 12.585 -5.057 1051 HG22 VAL 132 1HG2 VAL 132 -1.043 13.658 -6.428 1052 HG23 VAL 132 2HG2 VAL 132 0.453 12.730 -6.321 1053 H SER 133 H SER 133 -3.530 11.285 -8.773 1054 HA SER 133 HA SER 133 -3.664 8.619 -9.351 1055 HB2 SER 133 2HB SER 133 -5.636 9.970 -8.869 1056 HB3 SER 133 1HB SER 133 -5.411 10.879 -10.359 1057 HG SER 133 HG SER 133 -5.606 8.650 -11.380 1058 H ALA 134 H ALA 134 -3.364 11.334 -11.626 1059 HA ALA 134 HA ALA 134 -3.396 9.809 -13.965 1060 HB1 ALA 134 1HB ALA 134 -3.668 12.247 -13.933 1061 HB2 ALA 134 2HB ALA 134 -2.398 11.753 -15.051 1062 HB3 ALA 134 3HB ALA 134 -1.974 12.427 -13.479 1063 H MET 135 H MET 135 -0.656 10.941 -12.049 1064 HA MET 135 HA MET 135 1.366 9.772 -13.584 1065 HB2 MET 135 2HB MET 135 1.824 11.523 -11.946 1066 HB3 MET 135 1HB MET 135 1.359 10.443 -10.644 1067 HG2 MET 135 2HG MET 135 3.261 9.042 -11.047 1068 HG3 MET 135 1HG MET 135 3.691 9.965 -12.487 1069 HE1 MET 135 3HE MET 135 3.910 11.706 -8.216 1070 HE2 MET 135 1HE MET 135 3.367 10.061 -8.550 1071 HE3 MET 135 2HE MET 135 2.385 11.442 -9.054 1072 H ILE 136 H ILE 136 -0.496 8.427 -10.897 1073 HA ILE 136 HA ILE 136 0.931 5.994 -10.658 1074 HB ILE 136 HB ILE 136 -1.997 6.574 -10.123 1075 HG12 ILE 136 2HG1 ILE 136 0.359 6.422 -8.228 1076 HG13 ILE 136 1HG1 ILE 136 -0.451 7.894 -8.751 1077 HG21 ILE 136 1HG2 ILE 136 -2.006 4.532 -8.745 1078 HG22 ILE 136 2HG2 ILE 136 -0.363 4.181 -9.271 1079 HG23 ILE 136 3HG2 ILE 136 -1.680 4.178 -10.442 1080 HD11 ILE 136 3HD1 ILE 136 -1.700 5.680 -7.138 1081 HD12 ILE 136 1HD1 ILE 136 -2.495 7.168 -7.649 1082 HD13 ILE 136 2HD1 ILE 136 -1.145 7.233 -6.512 1083 H GLU 137 H GLU 137 -1.870 6.921 -12.581 1084 HA GLU 137 HA GLU 137 -2.275 4.449 -13.861 1085 HB2 GLU 137 2HB GLU 137 -2.944 7.259 -14.757 1086 HB3 GLU 137 1HB GLU 137 -3.556 5.796 -15.520 1087 HG2 GLU 137 2HG GLU 137 -4.709 5.166 -13.493 1088 HG3 GLU 137 1HG GLU 137 -4.010 6.532 -12.636 1089 H GLU 138 H GLU 138 -0.174 7.172 -14.593 1090 HA GLU 138 HA GLU 138 0.715 6.371 -17.136 1091 HB2 GLU 138 2HB GLU 138 2.277 7.808 -14.998 1092 HB3 GLU 138 1HB GLU 138 2.741 7.682 -16.681 1093 HG2 GLU 138 2HG GLU 138 0.660 8.960 -17.255 1094 HG3 GLU 138 1HG GLU 138 0.412 9.168 -15.512 1095 H VAL 139 H VAL 139 2.088 5.765 -13.940 1096 HA VAL 139 HA VAL 139 4.269 4.193 -14.799 1097 HB VAL 139 HB VAL 139 2.871 4.289 -12.101 1098 HG11 VAL 139 1HG1 VAL 139 4.102 2.202 -12.344 1099 HG12 VAL 139 2HG1 VAL 139 4.896 3.253 -11.171 1100 HG13 VAL 139 3HG1 VAL 139 5.559 3.096 -12.788 1101 HG21 VAL 139 3HG2 VAL 139 4.754 5.702 -11.438 1102 HG22 VAL 139 1HG2 VAL 139 3.875 6.415 -12.795 1103 HG23 VAL 139 2HG2 VAL 139 5.416 5.596 -13.068 1104 H PHE 140 H PHE 140 1.100 3.312 -13.604 1105 HA PHE 140 HA PHE 140 1.636 0.548 -13.852 1106 HB2 PHE 140 2HB PHE 140 -0.673 2.054 -12.816 1107 HB3 PHE 140 1HB PHE 140 -0.912 0.399 -13.360 1108 HD1 PHE 140 2HD PHE 140 0.229 -1.455 -12.282 1109 HD2 PHE 140 1HD PHE 140 0.580 2.522 -10.785 1110 HE1 PHE 140 2HE PHE 140 0.982 -2.331 -10.159 1111 HE2 PHE 140 1HE PHE 140 1.368 1.592 -8.626 1112 HZ PHE 140 HZ PHE 140 1.534 -0.926 -8.381 1113 H GLU 141 H GLU 141 0.617 2.674 -16.273 1114 HA GLU 141 HA GLU 141 -1.390 1.430 -17.554 1115 HB2 GLU 141 2HB GLU 141 -0.384 3.527 -18.289 1116 HB3 GLU 141 1HB GLU 141 1.028 2.650 -18.868 1117 HG2 GLU 141 2HG GLU 141 -0.368 1.418 -20.404 1118 HG3 GLU 141 1HG GLU 141 -1.771 2.321 -19.818 1119 H ALA 142 H ALA 142 1.969 0.498 -17.933 1120 HA ALA 142 HA ALA 142 1.233 -1.668 -19.737 1121 HB1 ALA 142 1HB ALA 142 3.585 -2.109 -19.998 1122 HB2 ALA 142 2HB ALA 142 3.969 -1.043 -18.650 1123 HB3 ALA 142 3HB ALA 142 3.286 -0.374 -20.132 1124 H THR 143 H THR 143 0.979 -1.530 -16.518 1125 HA THR 143 HA THR 143 1.636 -4.378 -16.183 1126 HB THR 143 HB THR 143 1.860 -3.839 -13.740 1127 HG1 THR 143 1HG THR 143 0.668 -1.723 -14.288 1128 HG21 THR 143 3HG2 THR 143 3.662 -2.196 -15.486 1129 HG22 THR 143 1HG2 THR 143 3.860 -3.932 -15.181 1130 HG23 THR 143 2HG2 THR 143 4.015 -2.762 -13.852 1131 H ASP 144 H ASP 144 -0.231 -5.521 -16.031 1132 HA ASP 144 HA ASP 144 -2.613 -3.984 -15.492 1133 HB2 ASP 144 2HB ASP 144 -2.788 -5.601 -17.335 1134 HB3 ASP 144 1HB ASP 144 -2.510 -6.920 -16.203 1135 H ILE 145 H ILE 145 -1.976 -3.460 -13.463 1136 HA ILE 145 HA ILE 145 -2.696 -5.469 -11.472 1137 HB ILE 145 HB ILE 145 -0.773 -3.090 -10.980 1138 HG12 ILE 145 2HG1 ILE 145 -0.134 -6.038 -11.362 1139 HG13 ILE 145 1HG1 ILE 145 0.068 -4.826 -12.610 1140 HG21 ILE 145 1HG2 ILE 145 -1.466 -5.442 -9.286 1141 HG22 ILE 145 2HG2 ILE 145 -1.989 -3.780 -9.033 1142 HG23 ILE 145 3HG2 ILE 145 -0.276 -4.185 -8.950 1143 HD11 ILE 145 3HD1 ILE 145 1.426 -4.768 -9.948 1144 HD12 ILE 145 1HD1 ILE 145 1.713 -3.699 -11.327 1145 HD13 ILE 145 2HD1 ILE 145 2.127 -5.404 -11.449 1146 H LYS 146 H LYS 146 -4.504 -5.024 -10.442 1147 HA LYS 146 HA LYS 146 -5.850 -2.556 -11.047 1148 HB2 LYS 146 2HB LYS 146 -6.745 -5.105 -9.781 1149 HB3 LYS 146 1HB LYS 146 -7.736 -3.672 -9.697 1150 HG2 LYS 146 2HG LYS 146 -8.449 -5.094 -11.583 1151 HG3 LYS 146 1HG LYS 146 -7.862 -3.539 -12.146 1152 HD2 LYS 146 2HD LYS 146 -6.998 -5.240 -13.616 1153 HD3 LYS 146 1HD LYS 146 -5.683 -4.607 -12.618 1154 HE2 LYS 146 2HE LYS 146 -5.887 -6.537 -11.126 1155 HE3 LYS 146 1HE LYS 146 -7.187 -7.180 -12.123 1156 HZ1 LYS 146 3HZ LYS 146 -4.331 -6.865 -12.905 1157 HZ2 LYS 146 1HZ LYS 146 -5.566 -7.262 -13.985 1158 HZ3 LYS 146 2HZ LYS 146 -5.227 -8.276 -12.710 1159 H ILE 147 H ILE 147 -6.254 -1.002 -9.803 1160 HA ILE 147 HA ILE 147 -5.090 -1.117 -7.135 1161 HB ILE 147 HB ILE 147 -5.180 1.014 -9.240 1162 HG12 ILE 147 2HG1 ILE 147 -2.902 -0.334 -7.807 1163 HG13 ILE 147 1HG1 ILE 147 -3.465 -0.705 -9.430 1164 HG21 ILE 147 1HG2 ILE 147 -5.684 2.115 -7.157 1165 HG22 ILE 147 2HG2 ILE 147 -4.048 2.519 -7.681 1166 HG23 ILE 147 3HG2 ILE 147 -4.296 1.348 -6.387 1167 HD11 ILE 147 3HD1 ILE 147 -1.474 0.631 -9.368 1168 HD12 ILE 147 1HD1 ILE 147 -2.341 1.901 -8.511 1169 HD13 ILE 147 2HD1 ILE 147 -2.809 1.464 -10.184 1170 H THR 148 H THR 148 -6.528 -0.989 -5.612 1171 HA THR 148 HA THR 148 -8.981 0.489 -6.138 1172 HB THR 148 HB THR 148 -8.495 -1.697 -4.094 1173 HG1 THR 148 1HG THR 148 -8.548 -2.447 -6.238 1174 HG21 THR 148 3HG2 THR 148 -10.969 -0.238 -4.982 1175 HG22 THR 148 1HG2 THR 148 -10.190 -0.067 -3.412 1176 HG23 THR 148 2HG2 THR 148 -10.961 -1.605 -3.851 1177 H VAL 149 H VAL 149 -8.906 2.408 -5.295 1178 HA VAL 149 HA VAL 149 -7.225 2.879 -2.956 1179 HB VAL 149 HB VAL 149 -8.397 4.864 -4.930 1180 HG11 VAL 149 1HG1 VAL 149 -8.184 5.848 -2.692 1181 HG12 VAL 149 2HG1 VAL 149 -6.998 6.537 -3.800 1182 HG13 VAL 149 3HG1 VAL 149 -6.502 5.324 -2.621 1183 HG21 VAL 149 3HG2 VAL 149 -6.607 3.508 -5.856 1184 HG22 VAL 149 1HG2 VAL 149 -5.554 3.956 -4.513 1185 HG23 VAL 149 2HG2 VAL 149 -6.106 5.185 -5.656 1186 H TYR 150 H TYR 150 -8.127 3.191 -1.121 1187 HA TYR 150 HA TYR 150 -10.994 3.606 -1.017 1188 HB2 TYR 150 2HB TYR 150 -9.010 2.888 1.149 1189 HB3 TYR 150 1HB TYR 150 -10.711 3.229 1.467 1190 HD1 TYR 150 2HD TYR 150 -12.448 1.671 0.765 1191 HD2 TYR 150 1HD TYR 150 -8.340 0.826 0.036 1192 HE1 TYR 150 2HE TYR 150 -13.022 -0.655 0.275 1193 HE2 TYR 150 1HE TYR 150 -8.920 -1.515 -0.461 1194 HH TYR 150 HH TYR 150 -12.089 -2.563 -1.000 1195 H THR 151 H THR 151 -11.900 5.445 -0.501 1196 HA THR 151 HA THR 151 -10.064 7.635 -0.270 1197 HB THR 151 HB THR 151 -12.134 9.028 -0.712 1198 HG1 THR 151 1HG THR 151 -13.795 7.533 -1.798 1199 HG21 THR 151 3HG2 THR 151 -10.570 8.426 -2.495 1200 HG22 THR 151 1HG2 THR 151 -12.230 8.442 -3.095 1201 HG23 THR 151 2HG2 THR 151 -11.433 6.909 -2.743 1202 H LEU 152 H LEU 152 -9.628 8.527 1.486 1203 HA LEU 152 HA LEU 152 -11.461 8.679 3.709 1204 HB2 LEU 152 2HB LEU 152 -10.240 6.566 4.051 1205 HB3 LEU 152 1HB LEU 152 -8.718 7.397 3.839 1206 HG LEU 152 HG LEU 152 -9.165 8.680 5.902 1207 HD11 LEU 152 1HD1 LEU 152 -10.920 7.936 7.431 1208 HD12 LEU 152 2HD1 LEU 152 -11.541 6.852 6.186 1209 HD13 LEU 152 3HD1 LEU 152 -11.577 8.597 5.934 1210 HD21 LEU 152 3HD2 LEU 152 -7.787 6.682 5.979 1211 HD22 LEU 152 1HD2 LEU 152 -9.222 5.682 6.198 1212 HD23 LEU 152 2HD2 LEU 152 -8.744 6.823 7.453 Start of MODEL 14 1 H GLU 1 H GLU 1 -11.066 -26.455 0.786 2 HA GLU 1 HA GLU 1 -9.014 -25.552 -0.975 3 HB2 GLU 1 2HB GLU 1 -11.812 -26.542 -1.538 4 HB3 GLU 1 1HB GLU 1 -10.608 -26.183 -2.768 5 HG2 GLU 1 2HG GLU 1 -9.155 -27.903 -1.869 6 HG3 GLU 1 1HG GLU 1 -10.349 -28.275 -0.627 7 H ALA 2 H ALA 2 -8.721 -23.515 -0.740 8 HA ALA 2 HA ALA 2 -10.496 -21.474 -0.265 9 HB1 ALA 2 1HB ALA 2 -8.065 -21.232 -0.130 10 HB2 ALA 2 2HB ALA 2 -8.783 -19.972 -1.135 11 HB3 ALA 2 3HB ALA 2 -7.959 -21.336 -1.887 12 H SER 3 H SER 3 -12.156 -20.867 -1.354 13 HA SER 3 HA SER 3 -12.150 -21.105 -4.274 14 HB2 SER 3 2HB SER 3 -14.465 -20.999 -2.328 15 HB3 SER 3 1HB SER 3 -14.590 -21.221 -4.075 16 HG SER 3 HG SER 3 -12.929 -22.931 -2.663 17 H SER 4 H SER 4 -11.171 -19.000 -2.300 18 HA SER 4 HA SER 4 -12.932 -16.770 -2.608 19 HB2 SER 4 2HB SER 4 -11.090 -15.642 -1.290 20 HB3 SER 4 1HB SER 4 -11.852 -17.025 -0.512 21 HG SER 4 HG SER 4 -9.363 -17.000 -1.887 22 H LEU 5 H LEU 5 -11.485 -18.039 -4.967 23 HA LEU 5 HA LEU 5 -9.742 -16.015 -5.960 24 HB2 LEU 5 2HB LEU 5 -9.493 -18.296 -6.708 25 HB3 LEU 5 1HB LEU 5 -11.146 -18.321 -7.291 26 HG LEU 5 HG LEU 5 -10.562 -16.654 -8.979 27 HD11 LEU 5 1HD1 LEU 5 -8.200 -16.158 -9.438 28 HD12 LEU 5 2HD1 LEU 5 -7.756 -17.009 -7.957 29 HD13 LEU 5 3HD1 LEU 5 -8.727 -15.540 -7.871 30 HD21 LEU 5 3HD2 LEU 5 -10.517 -18.998 -9.551 31 HD22 LEU 5 1HD2 LEU 5 -8.849 -19.129 -8.989 32 HD23 LEU 5 2HD2 LEU 5 -9.231 -18.137 -10.397 33 H ASN 6 H ASN 6 -10.481 -14.082 -6.548 34 HA ASN 6 HA ASN 6 -12.640 -13.842 -8.394 35 HB2 ASN 6 2HB ASN 6 -14.030 -12.361 -7.037 36 HB3 ASN 6 1HB ASN 6 -13.904 -13.930 -6.245 37 HD21 ASN 6 1HD2 ASN 6 -13.120 -10.544 -6.095 38 HD22 ASN 6 2HD2 ASN 6 -12.543 -10.554 -4.482 39 H GLU 7 H GLU 7 -12.973 -11.396 -8.800 40 HA GLU 7 HA GLU 7 -10.702 -9.786 -8.094 41 HB2 GLU 7 2HB GLU 7 -10.192 -9.154 -10.399 42 HB3 GLU 7 1HB GLU 7 -10.034 -10.887 -10.237 43 HG2 GLU 7 2HG GLU 7 -12.382 -9.447 -11.474 44 HG3 GLU 7 1HG GLU 7 -11.057 -10.188 -12.363 45 H ASP 8 H ASP 8 -11.171 -7.528 -9.100 46 HA ASP 8 HA ASP 8 -14.050 -7.065 -9.127 47 HB2 ASP 8 2HB ASP 8 -12.020 -5.472 -7.544 48 HB3 ASP 8 1HB ASP 8 -13.628 -4.874 -7.913 49 HA PRO 9 HA PRO 9 -12.566 -4.832 -12.711 50 HB2 PRO 9 2HB PRO 9 -14.592 -5.472 -14.326 51 HB3 PRO 9 1HB PRO 9 -13.390 -6.687 -13.879 52 HG2 PRO 9 2HG PRO 9 -16.170 -6.325 -12.879 53 HG3 PRO 9 1HG PRO 9 -15.264 -7.821 -13.165 54 HD2 PRO 9 2HD PRO 9 -15.603 -6.505 -10.686 55 HD3 PRO 9 1HD PRO 9 -14.471 -7.825 -11.045 56 H GLU 10 H GLU 10 -14.617 -3.676 -14.325 57 HA GLU 10 HA GLU 10 -16.107 -1.997 -14.549 58 HB2 GLU 10 2HB GLU 10 -17.484 -3.308 -12.907 59 HB3 GLU 10 1HB GLU 10 -16.711 -2.443 -11.600 60 HG2 GLU 10 2HG GLU 10 -17.707 -0.344 -12.460 61 HG3 GLU 10 1HG GLU 10 -18.543 -1.284 -13.692 62 H GLY 11 H GLY 11 -13.277 -1.682 -13.582 63 HA2 GLY 11 2HA GLY 11 -13.506 1.157 -12.955 64 HA3 GLY 11 1HA GLY 11 -12.608 0.161 -11.820 65 H SER 12 H SER 12 -11.372 2.213 -13.014 66 HA SER 12 HA SER 12 -9.829 1.218 -15.277 67 HB2 SER 12 2HB SER 12 -10.659 3.579 -15.214 68 HB3 SER 12 1HB SER 12 -9.717 3.859 -13.753 69 HG SER 12 HG SER 12 -8.464 4.587 -15.365 70 H ARG 13 H ARG 13 -7.397 2.605 -14.428 71 HA ARG 13 HA ARG 13 -5.948 0.682 -13.012 72 HB2 ARG 13 2HB ARG 13 -5.511 3.644 -13.215 73 HB3 ARG 13 1HB ARG 13 -4.415 2.595 -12.349 74 HG2 ARG 13 2HG ARG 13 -5.049 2.434 -15.289 75 HG3 ARG 13 1HG ARG 13 -3.615 3.174 -14.580 76 HD2 ARG 13 2HD ARG 13 -2.744 1.042 -15.030 77 HD3 ARG 13 1HD ARG 13 -3.355 0.888 -13.442 78 HE ARG 13 HE ARG 13 -5.468 -0.051 -14.430 79 HH11 ARG 13 1HH1 ARG 13 -2.377 -0.389 -16.108 80 HH12 ARG 13 2HH1 ARG 13 -2.709 -1.890 -16.780 81 HH21 ARG 13 1HH2 ARG 13 -5.984 -2.123 -15.368 82 HH22 ARG 13 2HH2 ARG 13 -4.863 -2.920 -16.361 83 H ILE 14 H ILE 14 -7.322 3.680 -11.796 84 HA ILE 14 HA ILE 14 -7.047 2.562 -9.122 85 HB ILE 14 HB ILE 14 -7.534 5.402 -9.968 86 HG12 ILE 14 2HG1 ILE 14 -4.992 4.109 -8.931 87 HG13 ILE 14 1HG1 ILE 14 -5.265 4.636 -10.586 88 HG21 ILE 14 1HG2 ILE 14 -8.466 4.913 -7.790 89 HG22 ILE 14 2HG2 ILE 14 -7.035 5.929 -7.607 90 HG23 ILE 14 3HG2 ILE 14 -6.940 4.196 -7.279 91 HD11 ILE 14 3HD1 ILE 14 -5.137 6.423 -8.154 92 HD12 ILE 14 1HD1 ILE 14 -5.404 6.966 -9.805 93 HD13 ILE 14 2HD1 ILE 14 -3.875 6.225 -9.361 94 H THR 15 H THR 15 -8.749 1.835 -8.314 95 HA THR 15 HA THR 15 -11.434 2.707 -9.139 96 HB THR 15 HB THR 15 -10.621 0.327 -7.437 97 HG1 THR 15 1HG THR 15 -10.270 -0.716 -9.230 98 HG21 THR 15 3HG2 THR 15 -12.943 1.064 -7.117 99 HG22 THR 15 1HG2 THR 15 -12.886 -0.497 -7.938 100 HG23 THR 15 2HG2 THR 15 -13.213 0.972 -8.859 101 H TYR 16 H TYR 16 -12.455 4.043 -7.748 102 HA TYR 16 HA TYR 16 -11.171 4.518 -5.171 103 HB2 TYR 16 2HB TYR 16 -13.270 6.143 -6.610 104 HB3 TYR 16 1HB TYR 16 -12.508 6.579 -5.085 105 HD1 TYR 16 2HD TYR 16 -10.008 6.982 -5.053 106 HD2 TYR 16 1HD TYR 16 -12.234 6.649 -8.664 107 HE1 TYR 16 2HE TYR 16 -8.214 8.087 -6.263 108 HE2 TYR 16 1HE TYR 16 -10.422 7.758 -9.888 109 HH TYR 16 HH TYR 16 -7.380 8.109 -8.681 110 H VAL 17 H VAL 17 -11.941 3.714 -3.383 111 HA VAL 17 HA VAL 17 -14.799 3.059 -3.236 112 HB VAL 17 HB VAL 17 -12.550 1.360 -2.120 113 HG11 VAL 17 1HG1 VAL 17 -14.281 -0.311 -1.666 114 HG12 VAL 17 2HG1 VAL 17 -15.510 0.824 -2.228 115 HG13 VAL 17 3HG1 VAL 17 -14.555 1.195 -0.792 116 HG21 VAL 17 3HG2 VAL 17 -13.146 -0.318 -3.782 117 HG22 VAL 17 1HG2 VAL 17 -12.534 1.162 -4.503 118 HG23 VAL 17 2HG2 VAL 17 -14.276 0.818 -4.538 119 H LYS 18 H LYS 18 -15.697 3.587 -1.279 120 HA LYS 18 HA LYS 18 -13.925 4.705 0.736 121 HB2 LYS 18 2HB LYS 18 -16.060 5.428 1.837 122 HB3 LYS 18 1HB LYS 18 -15.843 6.103 0.231 123 HG2 LYS 18 2HG LYS 18 -17.365 4.391 -0.659 124 HG3 LYS 18 1HG LYS 18 -17.611 3.789 0.980 125 HD2 LYS 18 2HD LYS 18 -18.578 5.910 1.632 126 HD3 LYS 18 1HD LYS 18 -18.237 6.585 0.038 127 HE2 LYS 18 2HE LYS 18 -20.069 4.255 0.606 128 HE3 LYS 18 1HE LYS 18 -20.579 5.900 0.231 129 HZ1 LYS 18 3HZ LYS 18 -20.669 4.491 -1.738 130 HZ2 LYS 18 1HZ LYS 18 -19.038 4.121 -1.604 131 HZ3 LYS 18 2HZ LYS 18 -19.524 5.696 -1.933 132 H GLY 19 H GLY 19 -13.507 3.629 2.637 133 HA2 GLY 19 2HA GLY 19 -15.047 1.734 3.851 134 HA3 GLY 19 1HA GLY 19 -14.102 0.868 2.650 135 H ASP 20 H ASP 20 -13.285 -0.186 4.584 136 HA ASP 20 HA ASP 20 -11.208 1.376 5.965 137 HB2 ASP 20 2HB ASP 20 -13.032 0.552 7.430 138 HB3 ASP 20 1HB ASP 20 -12.720 -1.077 6.877 139 H LEU 21 H LEU 21 -9.135 0.484 6.034 140 HA LEU 21 HA LEU 21 -8.722 -1.515 4.038 141 HB2 LEU 21 2HB LEU 21 -6.951 0.427 5.330 142 HB3 LEU 21 1HB LEU 21 -6.269 -0.943 4.463 143 HG LEU 21 HG LEU 21 -8.196 1.048 3.260 144 HD11 LEU 21 1HD1 LEU 21 -6.268 1.776 2.014 145 HD12 LEU 21 2HD1 LEU 21 -5.289 0.606 2.934 146 HD13 LEU 21 3HD1 LEU 21 -6.044 1.981 3.764 147 HD21 LEU 21 3HD2 LEU 21 -8.395 -1.147 2.259 148 HD22 LEU 21 1HD2 LEU 21 -6.650 -1.263 2.124 149 HD23 LEU 21 2HD2 LEU 21 -7.527 -0.067 1.163 150 H PHE 22 H PHE 22 -9.314 -1.807 7.117 151 HA PHE 22 HA PHE 22 -7.662 -4.216 7.284 152 HB2 PHE 22 2HB PHE 22 -9.266 -2.797 9.428 153 HB3 PHE 22 1HB PHE 22 -8.487 -4.355 9.671 154 HD1 PHE 22 1HD PHE 22 -6.030 -4.513 9.558 155 HD2 PHE 22 2HD PHE 22 -8.032 -0.751 9.559 156 HE1 PHE 22 1HE PHE 22 -3.937 -3.376 10.180 157 HE2 PHE 22 2HE PHE 22 -5.969 0.348 10.153 158 HZ PHE 22 HZ PHE 22 -3.907 -0.967 10.472 159 H ALA 23 H ALA 23 -10.684 -3.038 6.503 160 HA ALA 23 HA ALA 23 -12.008 -5.617 6.878 161 HB1 ALA 23 1HB ALA 23 -13.211 -3.596 7.583 162 HB2 ALA 23 2HB ALA 23 -14.045 -4.400 6.250 163 HB3 ALA 23 3HB ALA 23 -13.085 -2.956 5.945 164 H CYS 24 H CYS 24 -9.935 -4.539 4.778 165 HA CYS 24 HA CYS 24 -11.202 -4.758 2.252 166 HB2 CYS 24 2HB CYS 24 -8.883 -4.796 1.403 167 HB3 CYS 24 1HB CYS 24 -9.129 -3.509 2.588 168 HG CYS 24 HG CYS 24 -8.193 -6.322 3.956 169 HA PRO 25 HA PRO 25 -11.126 -9.244 1.816 170 HB2 PRO 25 2HB PRO 25 -10.566 -8.892 -1.050 171 HB3 PRO 25 1HB PRO 25 -12.006 -9.554 -0.271 172 HG2 PRO 25 2HG PRO 25 -12.049 -7.166 -1.499 173 HG3 PRO 25 1HG PRO 25 -12.994 -7.483 -0.033 174 HD2 PRO 25 2HD PRO 25 -10.377 -6.065 -0.329 175 HD3 PRO 25 1HD PRO 25 -11.812 -5.615 0.626 176 H LYS 26 H LYS 26 -9.790 -11.004 0.728 177 HA LYS 26 HA LYS 26 -7.044 -10.696 1.469 178 HB2 LYS 26 2HB LYS 26 -8.469 -12.988 0.169 179 HB3 LYS 26 1HB LYS 26 -6.791 -13.026 0.690 180 HG2 LYS 26 2HG LYS 26 -7.561 -12.575 3.000 181 HG3 LYS 26 1HG LYS 26 -9.227 -12.703 2.422 182 HD2 LYS 26 2HD LYS 26 -8.772 -14.947 1.604 183 HD3 LYS 26 1HD LYS 26 -7.104 -14.772 2.170 184 HE2 LYS 26 2HE LYS 26 -7.891 -14.577 4.479 185 HE3 LYS 26 1HE LYS 26 -9.563 -14.718 3.924 186 HZ1 LYS 26 3HZ LYS 26 -7.483 -16.811 3.629 187 HZ2 LYS 26 1HZ LYS 26 -9.105 -16.949 3.177 188 HZ3 LYS 26 2HZ LYS 26 -8.692 -16.797 4.801 189 H THR 27 H THR 27 -8.713 -10.119 -1.418 190 HA THR 27 HA THR 27 -6.727 -10.894 -3.303 191 HB THR 27 HB THR 27 -8.145 -9.352 -4.748 192 HG1 THR 27 1HG THR 27 -9.073 -8.146 -2.889 193 HG21 THR 27 3HG2 THR 27 -9.984 -10.988 -4.874 194 HG22 THR 27 1HG2 THR 27 -9.503 -11.636 -3.311 195 HG23 THR 27 2HG2 THR 27 -8.431 -11.813 -4.703 196 H ASP 28 H ASP 28 -7.099 -8.317 -1.228 197 HA ASP 28 HA ASP 28 -5.972 -6.250 -2.927 198 HB2 ASP 28 2HB ASP 28 -6.881 -6.230 -0.050 199 HB3 ASP 28 1HB ASP 28 -6.355 -4.820 -0.953 200 H SER 29 H SER 29 -3.657 -6.563 -3.214 201 HA SER 29 HA SER 29 -2.145 -6.939 -0.804 202 HB2 SER 29 2HB SER 29 -1.307 -6.131 -3.623 203 HB3 SER 29 1HB SER 29 -0.185 -6.503 -2.306 204 HG SER 29 HG SER 29 -1.936 -8.176 -3.712 205 H LEU 30 H LEU 30 -1.076 -5.126 0.221 206 HA LEU 30 HA LEU 30 -2.738 -2.796 -0.452 207 HB2 LEU 30 2HB LEU 30 -3.391 -4.448 1.405 208 HB3 LEU 30 1HB LEU 30 -2.089 -3.726 2.305 209 HG LEU 30 HG LEU 30 -4.501 -2.237 1.288 210 HD11 LEU 30 1HD1 LEU 30 -5.134 -3.928 2.819 211 HD12 LEU 30 2HD1 LEU 30 -5.205 -2.363 3.658 212 HD13 LEU 30 3HD1 LEU 30 -3.844 -3.473 3.915 213 HD21 LEU 30 3HD2 LEU 30 -2.317 -1.526 3.228 214 HD22 LEU 30 1HD2 LEU 30 -3.754 -0.544 3.002 215 HD23 LEU 30 2HD2 LEU 30 -2.617 -0.779 1.661 216 H ALA 31 H ALA 31 -1.810 -0.828 -0.166 217 HA ALA 31 HA ALA 31 1.026 -0.796 0.599 218 HB1 ALA 31 1HB ALA 31 -0.164 0.506 -1.835 219 HB2 ALA 31 2HB ALA 31 0.802 -0.971 -1.830 220 HB3 ALA 31 3HB ALA 31 1.530 0.558 -1.337 221 H HIS 32 H HIS 32 1.849 1.421 1.026 222 HA HIS 32 HA HIS 32 -0.113 3.502 1.721 223 HB2 HIS 32 2HB HIS 32 1.904 2.494 3.726 224 HB3 HIS 32 1HB HIS 32 0.629 3.689 3.943 225 HD1 HIS 32 1HD HIS 32 1.384 0.114 4.168 226 HD2 HIS 32 2HD HIS 32 -1.950 2.559 4.178 227 HE1 HIS 32 1HE HIS 32 -0.445 -1.294 5.114 228 HE2 HIS 32 2HE HIS 32 -2.498 0.139 4.954 229 H CYS 33 H CYS 33 1.048 5.552 2.037 230 HA CYS 33 HA CYS 33 3.832 5.508 1.130 231 HB2 CYS 33 2HB CYS 33 3.464 7.973 0.879 232 HB3 CYS 33 1HB CYS 33 2.368 7.018 -0.105 233 HG CYS 33 HG CYS 33 0.916 9.187 0.809 234 H ILE 34 H ILE 34 5.471 6.021 2.563 235 HA ILE 34 HA ILE 34 4.797 7.238 5.103 236 HB ILE 34 HB ILE 34 5.990 5.551 6.489 237 HG12 ILE 34 2HG1 ILE 34 6.215 3.858 4.009 238 HG13 ILE 34 1HG1 ILE 34 7.520 4.865 4.626 239 HG21 ILE 34 1HG2 ILE 34 3.641 5.274 6.259 240 HG22 ILE 34 2HG2 ILE 34 4.485 3.749 6.464 241 HG23 ILE 34 3HG2 ILE 34 3.884 4.219 4.865 242 HD11 ILE 34 3HD1 ILE 34 6.190 2.638 6.154 243 HD12 ILE 34 1HD1 ILE 34 7.542 3.643 6.698 244 HD13 ILE 34 2HD1 ILE 34 7.758 2.542 5.343 245 H SER 35 H SER 35 6.939 7.586 6.378 246 HA SER 35 HA SER 35 8.771 8.734 4.488 247 HB2 SER 35 2HB SER 35 9.698 9.797 6.554 248 HB3 SER 35 1HB SER 35 8.039 10.220 6.158 249 HG SER 35 HG SER 35 8.955 9.186 8.410 250 H GLU 36 H GLU 36 11.111 8.637 4.977 251 HA GLU 36 HA GLU 36 12.102 6.023 4.990 252 HB2 GLU 36 2HB GLU 36 13.018 7.959 3.740 253 HB3 GLU 36 1HB GLU 36 13.415 8.731 5.259 254 HG2 GLU 36 2HG GLU 36 14.621 6.148 4.375 255 HG3 GLU 36 1HG GLU 36 15.270 7.723 3.912 256 H ASP 37 H ASP 37 11.877 8.587 7.365 257 HA ASP 37 HA ASP 37 13.335 7.144 9.380 258 HB2 ASP 37 2HB ASP 37 12.567 8.929 10.945 259 HB3 ASP 37 1HB ASP 37 13.364 9.564 9.519 260 H CYS 38 H CYS 38 10.257 6.906 8.137 261 HA CYS 38 HA CYS 38 8.348 5.924 8.669 262 HB2 CYS 38 2HB CYS 38 10.210 4.204 10.298 263 HB3 CYS 38 1HB CYS 38 8.533 3.795 9.958 264 HG CYS 38 HG CYS 38 10.058 4.548 7.161 265 H ARG 39 H ARG 39 9.285 8.153 10.497 266 HA ARG 39 HA ARG 39 8.271 7.599 13.076 267 HB2 ARG 39 2HB ARG 39 8.581 10.229 11.648 268 HB3 ARG 39 1HB ARG 39 8.193 10.045 13.351 269 HG2 ARG 39 2HG ARG 39 10.318 8.951 13.732 270 HG3 ARG 39 1HG ARG 39 10.700 9.083 12.012 271 HD2 ARG 39 2HD ARG 39 10.464 11.498 12.184 272 HD3 ARG 39 1HD ARG 39 10.170 11.288 13.920 273 HE ARG 39 HE ARG 39 12.507 10.078 13.635 274 HH11 ARG 39 1HH1 ARG 39 11.430 13.254 12.549 275 HH12 ARG 39 2HH1 ARG 39 12.961 13.996 12.591 276 HH21 ARG 39 1HH2 ARG 39 14.660 11.066 13.723 277 HH22 ARG 39 2HH2 ARG 39 14.864 12.699 13.292 278 H MET 40 H MET 40 6.283 7.129 13.490 279 HA MET 40 HA MET 40 4.204 8.477 11.987 280 HB2 MET 40 2HB MET 40 2.949 6.356 11.741 281 HB3 MET 40 1HB MET 40 4.489 6.347 10.905 282 HG2 MET 40 2HG MET 40 5.476 5.060 12.709 283 HG3 MET 40 1HG MET 40 3.935 5.051 13.561 284 HE1 MET 40 3HE MET 40 4.686 4.611 9.683 285 HE2 MET 40 1HE MET 40 4.759 2.857 9.566 286 HE3 MET 40 2HE MET 40 5.983 3.731 10.493 287 H GLY 41 H GLY 41 3.238 9.651 13.399 288 HA2 GLY 41 2HA GLY 41 2.538 8.500 16.018 289 HA3 GLY 41 1HA GLY 41 2.637 10.225 15.661 290 H ALA 42 H ALA 42 1.370 9.515 12.992 291 HA ALA 42 HA ALA 42 -1.331 8.821 13.726 292 HB1 ALA 42 1HB ALA 42 -0.592 11.438 12.399 293 HB2 ALA 42 2HB ALA 42 -1.263 11.255 14.018 294 HB3 ALA 42 3HB ALA 42 -2.233 10.822 12.609 295 H GLY 43 H GLY 43 -2.619 8.685 11.608 296 HA2 GLY 43 2HA GLY 43 -2.533 8.445 9.233 297 HA3 GLY 43 1HA GLY 43 -0.825 8.042 9.379 298 H ILE 44 H ILE 44 -2.648 6.527 7.975 299 HA ILE 44 HA ILE 44 -3.764 4.386 9.426 300 HB ILE 44 HB ILE 44 -4.553 5.063 7.219 301 HG12 ILE 44 2HG1 ILE 44 -3.540 2.226 7.011 302 HG13 ILE 44 1HG1 ILE 44 -4.909 2.676 8.044 303 HG21 ILE 44 1HG2 ILE 44 -1.950 3.953 6.209 304 HG22 ILE 44 2HG2 ILE 44 -2.479 5.645 6.136 305 HG23 ILE 44 3HG2 ILE 44 -3.334 4.392 5.218 306 HD11 ILE 44 3HD1 ILE 44 -5.629 1.775 5.963 307 HD12 ILE 44 1HD1 ILE 44 -4.650 2.962 5.082 308 HD13 ILE 44 2HD1 ILE 44 -6.025 3.497 6.065 309 H ALA 45 H ALA 45 -0.523 4.953 8.409 310 HA ALA 45 HA ALA 45 0.357 2.267 8.270 311 HB1 ALA 45 1HB ALA 45 1.692 4.129 7.355 312 HB2 ALA 45 2HB ALA 45 2.598 3.148 8.506 313 HB3 ALA 45 3HB ALA 45 1.964 4.712 9.000 314 H VAL 46 H VAL 46 -0.088 4.522 10.900 315 HA VAL 46 HA VAL 46 1.296 3.136 12.928 316 HB VAL 46 HB VAL 46 -1.153 4.908 13.222 317 HG11 VAL 46 1HG1 VAL 46 0.976 4.162 15.215 318 HG12 VAL 46 2HG1 VAL 46 -0.708 3.640 15.231 319 HG13 VAL 46 3HG1 VAL 46 -0.313 5.339 15.485 320 HG21 VAL 46 3HG2 VAL 46 0.410 6.732 13.632 321 HG22 VAL 46 1HG2 VAL 46 0.617 6.051 12.019 322 HG23 VAL 46 2HG2 VAL 46 1.759 5.646 13.305 323 H LEU 47 H LEU 47 -1.867 2.873 11.585 324 HA LEU 47 HA LEU 47 -2.937 1.073 13.490 325 HB2 LEU 47 2HB LEU 47 -3.680 1.682 10.638 326 HB3 LEU 47 1HB LEU 47 -4.576 0.584 11.670 327 HG LEU 47 HG LEU 47 -4.164 3.496 12.350 328 HD11 LEU 47 1HD1 LEU 47 -5.451 3.224 10.240 329 HD12 LEU 47 2HD1 LEU 47 -6.441 3.816 11.570 330 HD13 LEU 47 3HD1 LEU 47 -6.548 2.127 11.082 331 HD21 LEU 47 3HD2 LEU 47 -6.090 1.416 13.295 332 HD22 LEU 47 1HD2 LEU 47 -5.953 3.054 13.925 333 HD23 LEU 47 2HD2 LEU 47 -4.642 1.873 14.185 334 H PHE 48 H PHE 48 -1.381 0.662 10.352 335 HA PHE 48 HA PHE 48 -1.722 -2.137 10.314 336 HB2 PHE 48 2HB PHE 48 -0.133 -0.247 8.663 337 HB3 PHE 48 1HB PHE 48 0.129 -1.980 8.512 338 HD1 PHE 48 2HD PHE 48 -2.561 0.580 8.431 339 HD2 PHE 48 1HD PHE 48 -1.199 -3.229 7.183 340 HE1 PHE 48 2HE PHE 48 -4.504 0.375 6.947 341 HE2 PHE 48 1HE PHE 48 -3.095 -3.458 5.716 342 HZ PHE 48 HZ PHE 48 -4.786 -1.657 5.581 343 H LYS 49 H LYS 49 0.782 -0.145 11.612 344 HA LYS 49 HA LYS 49 2.673 -2.174 11.661 345 HB2 LYS 49 2HB LYS 49 3.959 -0.855 13.243 346 HB3 LYS 49 1HB LYS 49 3.423 0.083 11.842 347 HG2 LYS 49 2HG LYS 49 3.255 1.533 13.650 348 HG3 LYS 49 1HG LYS 49 1.607 0.946 13.438 349 HD2 LYS 49 2HD LYS 49 1.919 -0.647 15.209 350 HD3 LYS 49 1HD LYS 49 3.599 -0.163 15.390 351 HE2 LYS 49 2HE LYS 49 2.831 2.145 15.921 352 HE3 LYS 49 1HE LYS 49 1.170 1.558 15.893 353 HZ1 LYS 49 3HZ LYS 49 2.020 1.648 18.153 354 HZ2 LYS 49 1HZ LYS 49 3.317 0.673 17.731 355 HZ3 LYS 49 2HZ LYS 49 1.784 0.026 17.743 356 H LYS 50 H LYS 50 0.111 -1.629 13.930 357 HA LYS 50 HA LYS 50 1.129 -3.422 15.831 358 HB2 LYS 50 2HB LYS 50 -1.698 -2.605 15.305 359 HB3 LYS 50 1HB LYS 50 -1.286 -3.799 16.512 360 HG2 LYS 50 2HG LYS 50 -1.413 -1.939 17.765 361 HG3 LYS 50 1HG LYS 50 0.305 -1.935 17.400 362 HD2 LYS 50 2HD LYS 50 -0.543 0.289 17.179 363 HD3 LYS 50 1HD LYS 50 -0.208 -0.321 15.559 364 HE2 LYS 50 2HE LYS 50 -2.479 -0.680 15.104 365 HE3 LYS 50 1HE LYS 50 -2.944 -0.505 16.799 366 HZ1 LYS 50 3HZ LYS 50 -2.340 1.816 16.655 367 HZ2 LYS 50 1HZ LYS 50 -3.517 1.435 15.532 368 HZ3 LYS 50 2HZ LYS 50 -1.909 1.640 15.023 369 H LYS 51 H LYS 51 -1.135 -3.956 13.145 370 HA LYS 51 HA LYS 51 -1.463 -6.703 13.870 371 HB2 LYS 51 2HB LYS 51 -2.573 -5.097 11.627 372 HB3 LYS 51 1HB LYS 51 -2.945 -6.785 11.917 373 HG2 LYS 51 2HG LYS 51 -3.869 -6.204 14.100 374 HG3 LYS 51 1HG LYS 51 -3.495 -4.499 13.794 375 HD2 LYS 51 2HD LYS 51 -4.856 -4.588 11.799 376 HD3 LYS 51 1HD LYS 51 -5.281 -6.258 12.156 377 HE2 LYS 51 2HE LYS 51 -5.893 -3.898 13.941 378 HE3 LYS 51 1HE LYS 51 -7.056 -4.672 12.861 379 HZ1 LYS 51 3HZ LYS 51 -6.807 -6.706 14.144 380 HZ2 LYS 51 1HZ LYS 51 -7.275 -5.436 15.129 381 HZ3 LYS 51 2HZ LYS 51 -5.685 -5.993 15.154 382 H PHE 52 H PHE 52 0.222 -4.954 11.313 383 HA PHE 52 HA PHE 52 0.602 -7.469 9.926 384 HB2 PHE 52 2HB PHE 52 0.884 -4.635 9.011 385 HB3 PHE 52 1HB PHE 52 1.408 -6.008 8.036 386 HD1 PHE 52 1HD PHE 52 -1.587 -4.639 9.794 387 HD2 PHE 52 2HD PHE 52 -0.095 -7.093 6.681 388 HE1 PHE 52 1HE PHE 52 -3.877 -4.932 8.920 389 HE2 PHE 52 2HE PHE 52 -2.339 -7.373 5.797 390 HZ PHE 52 HZ PHE 52 -4.260 -6.300 6.924 391 H GLY 53 H GLY 53 2.365 -5.930 12.194 392 HA2 GLY 53 2HA GLY 53 4.496 -7.517 12.156 393 HA3 GLY 53 1HA GLY 53 4.915 -6.389 10.879 394 H GLY 54 H GLY 54 6.003 -4.515 11.453 395 HA2 GLY 54 2HA GLY 54 5.519 -3.161 13.712 396 HA3 GLY 54 1HA GLY 54 6.923 -4.223 13.925 397 H VAL 55 H VAL 55 6.955 -1.560 13.784 398 HA VAL 55 HA VAL 55 7.641 -0.408 11.309 399 HB VAL 55 HB VAL 55 8.551 0.467 14.066 400 HG11 VAL 55 1HG1 VAL 55 8.881 2.663 13.068 401 HG12 VAL 55 2HG1 VAL 55 8.468 1.998 11.482 402 HG13 VAL 55 3HG1 VAL 55 9.922 1.447 12.320 403 HG21 VAL 55 3HG2 VAL 55 6.687 2.045 13.935 404 HG22 VAL 55 1HG2 VAL 55 6.123 0.376 13.865 405 HG23 VAL 55 2HG2 VAL 55 6.202 1.344 12.395 406 H GLN 56 H GLN 56 9.650 -2.228 13.631 407 HA GLN 56 HA GLN 56 12.120 -1.467 12.651 408 HB2 GLN 56 2HB GLN 56 11.279 -4.047 13.942 409 HB3 GLN 56 1HB GLN 56 12.931 -3.572 13.618 410 HG2 GLN 56 2HG GLN 56 11.006 -2.212 15.491 411 HG3 GLN 56 1HG GLN 56 12.417 -3.183 15.909 412 HE21 GLN 56 1HE2 GLN 56 11.308 -0.124 14.755 413 HE22 GLN 56 2HE2 GLN 56 12.807 0.713 14.879 414 H GLU 57 H GLU 57 9.878 -3.860 11.472 415 HA GLU 57 HA GLU 57 11.699 -5.178 9.762 416 HB2 GLU 57 2HB GLU 57 8.712 -4.887 9.514 417 HB3 GLU 57 1HB GLU 57 9.686 -5.943 8.506 418 HG2 GLU 57 2HG GLU 57 10.409 -7.134 10.542 419 HG3 GLU 57 1HG GLU 57 9.313 -6.110 11.474 420 H LEU 58 H LEU 58 9.856 -2.294 9.413 421 HA LEU 58 HA LEU 58 10.344 -1.950 6.617 422 HB2 LEU 58 2HB LEU 58 9.544 0.059 8.722 423 HB3 LEU 58 1HB LEU 58 9.467 0.306 6.988 424 HG LEU 58 HG LEU 58 7.814 -1.699 8.542 425 HD11 LEU 58 1HD1 LEU 58 7.142 0.585 8.990 426 HD12 LEU 58 2HD1 LEU 58 5.943 -0.248 8.001 427 HD13 LEU 58 3HD1 LEU 58 7.049 0.912 7.262 428 HD21 LEU 58 3HD2 LEU 58 7.772 -0.923 5.628 429 HD22 LEU 58 1HD2 LEU 58 6.616 -1.988 6.421 430 HD23 LEU 58 2HD2 LEU 58 8.307 -2.470 6.278 431 H LEU 59 H LEU 59 11.622 -0.441 9.562 432 HA LEU 59 HA LEU 59 13.546 1.116 8.244 433 HB2 LEU 59 2HB LEU 59 13.304 0.318 11.119 434 HB3 LEU 59 1HB LEU 59 14.580 1.367 10.539 435 HG LEU 59 HG LEU 59 11.621 1.968 10.351 436 HD11 LEU 59 1HD1 LEU 59 12.439 2.043 12.646 437 HD12 LEU 59 2HD1 LEU 59 12.110 3.665 12.023 438 HD13 LEU 59 3HD1 LEU 59 13.771 3.089 12.133 439 HD21 LEU 59 3HD2 LEU 59 14.054 3.621 9.683 440 HD22 LEU 59 1HD2 LEU 59 12.393 4.203 9.706 441 HD23 LEU 59 2HD2 LEU 59 12.875 2.986 8.530 442 H ASN 60 H ASN 60 13.846 -2.122 9.643 443 HA ASN 60 HA ASN 60 16.645 -2.173 9.382 444 HB2 ASN 60 2HB ASN 60 14.648 -4.423 9.589 445 HB3 ASN 60 1HB ASN 60 16.387 -4.688 9.532 446 HD21 ASN 60 1HD2 ASN 60 14.363 -5.159 11.647 447 HD22 ASN 60 2HD2 ASN 60 14.976 -4.355 13.046 448 H GLN 61 H GLN 61 14.203 -2.500 7.016 449 HA GLN 61 HA GLN 61 15.897 -3.786 5.073 450 HB2 GLN 61 2HB GLN 61 13.260 -2.328 4.793 451 HB3 GLN 61 1HB GLN 61 14.113 -3.027 3.427 452 HG2 GLN 61 2HG GLN 61 13.909 -5.237 4.414 453 HG3 GLN 61 1HG GLN 61 13.111 -4.547 5.824 454 HE21 GLN 61 1HE2 GLN 61 11.003 -3.878 5.648 455 HE22 GLN 61 2HE2 GLN 61 9.978 -4.324 4.332 456 H GLN 62 H GLN 62 15.593 -0.680 6.348 457 HA GLN 62 HA GLN 62 16.145 1.360 5.791 458 HB2 GLN 62 2HB GLN 62 18.604 -0.098 4.900 459 HB3 GLN 62 1HB GLN 62 18.489 1.653 5.102 460 HG2 GLN 62 2HG GLN 62 17.868 1.370 7.364 461 HG3 GLN 62 1HG GLN 62 17.952 -0.376 7.205 462 HE21 GLN 62 1HE2 GLN 62 19.802 2.538 7.413 463 HE22 GLN 62 2HE2 GLN 62 21.347 1.811 7.660 464 H LYS 63 H LYS 63 14.510 1.391 4.364 465 HA LYS 63 HA LYS 63 15.298 1.636 1.547 466 HB2 LYS 63 2HB LYS 63 12.602 1.661 2.850 467 HB3 LYS 63 1HB LYS 63 12.889 1.819 1.129 468 HG2 LYS 63 2HG LYS 63 13.853 -0.501 2.679 469 HG3 LYS 63 1HG LYS 63 12.189 -0.454 2.078 470 HD2 LYS 63 2HD LYS 63 13.122 -1.537 0.265 471 HD3 LYS 63 1HD LYS 63 13.648 0.068 -0.186 472 HE2 LYS 63 2HE LYS 63 15.328 -1.901 1.395 473 HE3 LYS 63 1HE LYS 63 15.387 -1.754 -0.347 474 HZ1 LYS 63 3HZ LYS 63 16.268 0.254 1.674 475 HZ2 LYS 63 1HZ LYS 63 16.191 0.592 0.005 476 HZ3 LYS 63 2HZ LYS 63 17.186 -0.608 0.633 477 H LYS 64 H LYS 64 15.012 3.446 0.484 478 HA LYS 64 HA LYS 64 14.668 5.847 2.134 479 HB2 LYS 64 2HB LYS 64 16.505 5.387 -0.138 480 HB3 LYS 64 1HB LYS 64 16.231 6.964 0.606 481 HG2 LYS 64 2HG LYS 64 16.876 6.035 2.793 482 HG3 LYS 64 1HG LYS 64 17.237 4.501 2.005 483 HD2 LYS 64 2HD LYS 64 18.853 5.602 0.638 484 HD3 LYS 64 1HD LYS 64 18.424 7.126 1.465 485 HE2 LYS 64 2HE LYS 64 19.192 6.286 3.588 486 HE3 LYS 64 1HE LYS 64 19.476 4.685 2.915 487 HZ1 LYS 64 3HZ LYS 64 20.981 7.149 2.194 488 HZ2 LYS 64 1HZ LYS 64 21.241 5.571 1.599 489 HZ3 LYS 64 2HZ LYS 64 21.503 5.906 3.223 490 H SER 65 H SER 65 14.300 7.857 0.689 491 HA SER 65 HA SER 65 11.757 7.670 -0.338 492 HB2 SER 65 2HB SER 65 12.285 9.991 -1.206 493 HB3 SER 65 1HB SER 65 12.527 9.732 0.521 494 HG SER 65 HG SER 65 14.593 9.490 -1.409 495 H GLY 66 H GLY 66 11.197 6.524 -2.011 496 HA2 GLY 66 2HA GLY 66 11.096 6.586 -4.473 497 HA3 GLY 66 1HA GLY 66 12.857 6.665 -4.446 498 H GLU 67 H GLU 67 12.149 4.671 -1.969 499 HA GLU 67 HA GLU 67 12.084 2.278 -3.640 500 HB2 GLU 67 2HB GLU 67 13.247 2.618 -0.877 501 HB3 GLU 67 1HB GLU 67 13.199 1.137 -1.818 502 HG2 GLU 67 2HG GLU 67 14.675 2.211 -3.482 503 HG3 GLU 67 1HG GLU 67 14.789 3.610 -2.403 504 H VAL 68 H VAL 68 11.088 0.446 -2.504 505 HA VAL 68 HA VAL 68 8.884 1.356 -0.800 506 HB VAL 68 HB VAL 68 8.126 0.753 -3.095 507 HG11 VAL 68 1HG1 VAL 68 9.790 -0.945 -3.615 508 HG12 VAL 68 2HG1 VAL 68 8.153 -1.563 -3.862 509 HG13 VAL 68 3HG1 VAL 68 9.080 -2.026 -2.431 510 HG21 VAL 68 3HG2 VAL 68 6.351 -0.701 -2.499 511 HG22 VAL 68 1HG2 VAL 68 6.615 0.475 -1.209 512 HG23 VAL 68 2HG2 VAL 68 7.192 -1.193 -1.013 513 H ALA 69 H ALA 69 8.609 0.275 1.045 514 HA ALA 69 HA ALA 69 10.360 -2.002 1.585 515 HB1 ALA 69 1HB ALA 69 10.360 -0.181 3.246 516 HB2 ALA 69 2HB ALA 69 9.712 -1.666 3.944 517 HB3 ALA 69 3HB ALA 69 8.623 -0.366 3.460 518 H VAL 70 H VAL 70 9.518 -4.037 1.963 519 HA VAL 70 HA VAL 70 6.627 -4.260 1.462 520 HB VAL 70 HB VAL 70 8.763 -6.254 0.681 521 HG11 VAL 70 1HG1 VAL 70 5.835 -6.189 0.002 522 HG12 VAL 70 2HG1 VAL 70 6.642 -7.326 1.085 523 HG13 VAL 70 3HG1 VAL 70 7.010 -7.336 -0.642 524 HG21 VAL 70 3HG2 VAL 70 7.267 -4.316 -1.096 525 HG22 VAL 70 1HG2 VAL 70 8.350 -5.586 -1.662 526 HG23 VAL 70 2HG2 VAL 70 8.983 -4.248 -0.701 527 H LEU 71 H LEU 71 5.475 -5.527 2.777 528 HA LEU 71 HA LEU 71 6.879 -7.205 4.743 529 HB2 LEU 71 2HB LEU 71 4.175 -5.875 5.068 530 HB3 LEU 71 1HB LEU 71 4.871 -6.972 6.201 531 HG LEU 71 HG LEU 71 5.932 -4.214 5.559 532 HD11 LEU 71 1HD1 LEU 71 5.374 -3.721 7.875 533 HD12 LEU 71 2HD1 LEU 71 4.743 -5.356 8.078 534 HD13 LEU 71 3HD1 LEU 71 3.935 -4.235 6.985 535 HD21 LEU 71 3HD2 LEU 71 7.801 -5.724 5.980 536 HD22 LEU 71 1HD2 LEU 71 7.033 -6.293 7.464 537 HD23 LEU 71 2HD2 LEU 71 7.576 -4.627 7.341 538 H LYS 72 H LYS 72 6.519 -9.266 4.561 539 HA LYS 72 HA LYS 72 4.455 -10.191 2.751 540 HB2 LYS 72 2HB LYS 72 6.668 -11.010 2.390 541 HB3 LYS 72 1HB LYS 72 6.748 -11.506 4.090 542 HG2 LYS 72 2HG LYS 72 5.236 -13.312 3.689 543 HG3 LYS 72 1HG LYS 72 4.907 -12.742 2.047 544 HD2 LYS 72 2HD LYS 72 7.178 -13.179 1.374 545 HD3 LYS 72 1HD LYS 72 7.639 -13.563 3.025 546 HE2 LYS 72 2HE LYS 72 5.639 -15.129 1.400 547 HE3 LYS 72 1HE LYS 72 7.349 -15.537 1.535 548 HZ1 LYS 72 3HZ LYS 72 6.023 -16.818 3.073 549 HZ2 LYS 72 1HZ LYS 72 5.389 -15.485 3.804 550 HZ3 LYS 72 2HZ LYS 72 7.048 -15.793 3.932 551 H ARG 73 H ARG 73 2.735 -10.728 3.471 552 HA ARG 73 HA ARG 73 2.352 -11.402 6.346 553 HB2 ARG 73 2HB ARG 73 1.161 -9.413 4.912 554 HB3 ARG 73 1HB ARG 73 0.009 -10.707 4.651 555 HG2 ARG 73 2HG ARG 73 0.843 -9.548 7.316 556 HG3 ARG 73 1HG ARG 73 -0.678 -9.274 6.489 557 HD2 ARG 73 2HD ARG 73 -1.196 -11.686 6.747 558 HD3 ARG 73 1HD ARG 73 0.310 -11.877 7.644 559 HE ARG 73 HE ARG 73 -1.444 -9.846 8.660 560 HH11 ARG 73 1HH1 ARG 73 -0.540 -13.269 8.883 561 HH12 ARG 73 2HH1 ARG 73 -1.253 -13.493 10.408 562 HH21 ARG 73 1HH2 ARG 73 -2.428 -10.169 10.741 563 HH22 ARG 73 2HH2 ARG 73 -2.353 -11.700 11.492 564 H ASP 74 H ASP 74 2.694 -12.760 3.454 565 HA ASP 74 HA ASP 74 2.247 -14.672 2.433 566 HB2 ASP 74 2HB ASP 74 1.502 -15.519 5.208 567 HB3 ASP 74 1HB ASP 74 1.311 -16.624 3.847 568 H GLY 75 H GLY 75 0.994 -14.469 0.925 569 HA2 GLY 75 2HA GLY 75 -1.165 -15.198 0.069 570 HA3 GLY 75 1HA GLY 75 -1.892 -14.335 1.435 571 H ARG 76 H ARG 76 -0.535 -12.093 1.616 572 HA ARG 76 HA ARG 76 -0.428 -10.853 -0.992 573 HB2 ARG 76 2HB ARG 76 -1.719 -8.931 -0.163 574 HB3 ARG 76 1HB ARG 76 -2.671 -10.403 -0.251 575 HG2 ARG 76 2HG ARG 76 -2.423 -10.694 2.175 576 HG3 ARG 76 1HG ARG 76 -1.500 -9.187 2.246 577 HD2 ARG 76 2HD ARG 76 -3.385 -7.976 1.335 578 HD3 ARG 76 1HD ARG 76 -4.294 -9.487 1.222 579 HE ARG 76 HE ARG 76 -3.652 -9.337 3.818 580 HH11 ARG 76 1HH1 ARG 76 -5.092 -7.024 1.579 581 HH12 ARG 76 2HH1 ARG 76 -6.124 -6.301 2.724 582 HH21 ARG 76 1HH2 ARG 76 -5.053 -8.371 5.426 583 HH22 ARG 76 2HH2 ARG 76 -6.101 -7.099 5.018 584 H TYR 77 H TYR 77 0.559 -8.673 -0.827 585 HA TYR 77 HA TYR 77 2.587 -8.662 1.288 586 HB2 TYR 77 2HB TYR 77 2.804 -7.638 -1.546 587 HB3 TYR 77 1HB TYR 77 4.056 -7.508 -0.319 588 HD1 TYR 77 1HD TYR 77 5.182 -9.556 0.505 589 HD2 TYR 77 2HD TYR 77 2.462 -9.652 -2.759 590 HE1 TYR 77 1HE TYR 77 6.054 -11.754 -0.151 591 HE2 TYR 77 2HE TYR 77 3.323 -11.852 -3.421 592 HH TYR 77 HH TYR 77 5.395 -13.106 -3.148 593 H ILE 78 H ILE 78 3.001 -6.764 2.308 594 HA ILE 78 HA ILE 78 1.052 -4.633 1.807 595 HB ILE 78 HB ILE 78 2.766 -4.910 4.300 596 HG12 ILE 78 2HG1 ILE 78 1.574 -7.037 4.053 597 HG13 ILE 78 1HG1 ILE 78 0.936 -6.081 5.385 598 HG21 ILE 78 1HG2 ILE 78 0.054 -3.701 3.807 599 HG22 ILE 78 2HG2 ILE 78 1.565 -2.778 3.963 600 HG23 ILE 78 3HG2 ILE 78 0.915 -3.696 5.335 601 HD11 ILE 78 3HD1 ILE 78 -0.944 -5.393 3.983 602 HD12 ILE 78 1HD1 ILE 78 -0.823 -7.158 4.127 603 HD13 ILE 78 2HD1 ILE 78 -0.261 -6.342 2.655 604 H TYR 79 H TYR 79 1.850 -2.853 0.967 605 HA TYR 79 HA TYR 79 4.756 -2.588 0.756 606 HB2 TYR 79 2HB TYR 79 2.582 -1.425 -0.960 607 HB3 TYR 79 1HB TYR 79 4.300 -1.101 -1.155 608 HD1 TYR 79 1HD TYR 79 1.635 -3.575 -1.552 609 HD2 TYR 79 2HD TYR 79 5.775 -2.771 -2.016 610 HE1 TYR 79 1HE TYR 79 1.861 -5.576 -2.959 611 HE2 TYR 79 2HE TYR 79 6.015 -4.751 -3.409 612 HH TYR 79 HH TYR 79 3.374 -6.452 -4.654 613 H TYR 80 H TYR 80 5.774 -0.842 1.285 614 HA TYR 80 HA TYR 80 4.277 1.460 2.231 615 HB2 TYR 80 2HB TYR 80 6.682 0.166 3.517 616 HB3 TYR 80 1HB TYR 80 6.108 1.775 3.938 617 HD1 TYR 80 2HD TYR 80 5.233 -1.815 3.952 618 HD2 TYR 80 1HD TYR 80 4.281 2.057 5.413 619 HE1 TYR 80 2HE TYR 80 3.684 -2.817 5.540 620 HE2 TYR 80 1HE TYR 80 2.714 1.067 7.031 621 HH TYR 80 HH TYR 80 2.654 -2.231 7.713 622 H LEU 81 H LEU 81 4.560 2.681 0.519 623 HA LEU 81 HA LEU 81 6.944 2.873 -1.032 624 HB2 LEU 81 2HB LEU 81 4.545 4.702 -0.745 625 HB3 LEU 81 1HB LEU 81 5.765 4.841 -1.976 626 HG LEU 81 HG LEU 81 3.868 3.963 -2.997 627 HD11 LEU 81 1HD1 LEU 81 4.502 1.741 -3.779 628 HD12 LEU 81 2HD1 LEU 81 5.738 1.693 -2.529 629 HD13 LEU 81 3HD1 LEU 81 5.826 2.909 -3.798 630 HD21 LEU 81 3HD2 LEU 81 2.667 1.958 -2.335 631 HD22 LEU 81 1HD2 LEU 81 2.590 3.203 -1.088 632 HD23 LEU 81 2HD2 LEU 81 3.676 1.821 -0.893 633 H ILE 82 H ILE 82 8.751 3.877 -0.268 634 HA ILE 82 HA ILE 82 8.436 5.773 1.914 635 HB ILE 82 HB ILE 82 10.997 5.053 0.444 636 HG12 ILE 82 2HG1 ILE 82 10.030 3.016 1.475 637 HG13 ILE 82 1HG1 ILE 82 11.506 3.515 2.289 638 HG21 ILE 82 1HG2 ILE 82 12.056 5.949 2.492 639 HG22 ILE 82 2HG2 ILE 82 10.440 6.320 3.115 640 HG23 ILE 82 3HG2 ILE 82 11.032 7.146 1.685 641 HD11 ILE 82 3HD1 ILE 82 10.137 4.505 4.090 642 HD12 ILE 82 1HD1 ILE 82 9.835 2.780 3.887 643 HD13 ILE 82 2HD1 ILE 82 8.690 3.958 3.260 644 H THR 83 H THR 83 7.549 7.491 1.284 645 HA THR 83 HA THR 83 8.021 8.457 -1.374 646 HB THR 83 HB THR 83 6.215 9.739 0.644 647 HG1 THR 83 1HG THR 83 6.153 7.168 -0.437 648 HG21 THR 83 3HG2 THR 83 6.519 10.737 -1.577 649 HG22 THR 83 1HG2 THR 83 4.890 10.031 -1.379 650 HG23 THR 83 2HG2 THR 83 6.121 9.150 -2.274 651 H LYS 84 H LYS 84 8.450 9.657 2.047 652 HA LYS 84 HA LYS 84 10.266 11.536 0.920 653 HB2 LYS 84 2HB LYS 84 9.414 13.322 2.322 654 HB3 LYS 84 1HB LYS 84 8.215 12.777 1.188 655 HG2 LYS 84 2HG LYS 84 8.241 12.102 4.145 656 HG3 LYS 84 1HG LYS 84 7.297 13.388 3.415 657 HD2 LYS 84 2HD LYS 84 6.206 11.544 2.011 658 HD3 LYS 84 1HD LYS 84 6.971 10.407 3.121 659 HE2 LYS 84 2HE LYS 84 5.011 12.594 3.856 660 HE3 LYS 84 1HE LYS 84 4.684 10.869 3.834 661 HZ1 LYS 84 3HZ LYS 84 6.644 12.193 5.646 662 HZ2 LYS 84 1HZ LYS 84 6.109 10.564 5.751 663 HZ3 LYS 84 2HZ LYS 84 5.070 11.817 6.039 664 H LYS 85 H LYS 85 11.839 12.241 2.399 665 HA LYS 85 HA LYS 85 12.847 10.125 3.917 666 HB2 LYS 85 2HB LYS 85 13.664 13.025 4.015 667 HB3 LYS 85 1HB LYS 85 14.580 11.688 4.693 668 HG2 LYS 85 2HG LYS 85 14.780 10.730 2.407 669 HG3 LYS 85 1HG LYS 85 13.934 12.168 1.814 670 HD2 LYS 85 2HD LYS 85 15.689 13.600 2.622 671 HD3 LYS 85 1HD LYS 85 16.517 12.216 3.340 672 HE2 LYS 85 2HE LYS 85 16.804 11.241 1.109 673 HE3 LYS 85 1HE LYS 85 15.986 12.637 0.410 674 HZ1 LYS 85 3HZ LYS 85 17.750 14.047 1.192 675 HZ2 LYS 85 1HZ LYS 85 18.374 12.819 0.247 676 HZ3 LYS 85 2HZ LYS 85 18.545 12.746 1.930 677 H ARG 86 H ARG 86 12.084 13.299 5.257 678 HA ARG 86 HA ARG 86 11.661 12.080 7.844 679 HB2 ARG 86 2HB ARG 86 11.442 14.957 6.973 680 HB3 ARG 86 1HB ARG 86 11.204 14.403 8.617 681 HG2 ARG 86 2HG ARG 86 13.746 14.170 7.036 682 HG3 ARG 86 1HG ARG 86 13.410 15.359 8.298 683 HD2 ARG 86 2HD ARG 86 13.055 13.590 9.880 684 HD3 ARG 86 1HD ARG 86 13.424 12.388 8.636 685 HE ARG 86 HE ARG 86 15.482 14.331 9.022 686 HH11 ARG 86 1HH1 ARG 86 14.221 11.245 10.116 687 HH12 ARG 86 2HH1 ARG 86 15.679 10.690 10.799 688 HH21 ARG 86 1HH2 ARG 86 17.536 13.608 9.948 689 HH22 ARG 86 2HH2 ARG 86 17.623 12.091 10.696 690 H ALA 87 H ALA 87 9.818 12.217 9.037 691 HA ALA 87 HA ALA 87 7.421 11.622 7.744 692 HB1 ALA 87 1HB ALA 87 7.854 10.996 10.036 693 HB2 ALA 87 2HB ALA 87 6.343 11.887 9.914 694 HB3 ALA 87 3HB ALA 87 7.784 12.696 10.538 695 H SER 88 H SER 88 8.722 14.681 8.762 696 HA SER 88 HA SER 88 6.279 16.108 8.189 697 HB2 SER 88 2HB SER 88 7.714 16.784 10.083 698 HB3 SER 88 1HB SER 88 9.020 17.134 8.957 699 HG SER 88 HG SER 88 7.264 18.540 7.953 700 H HIS 89 H HIS 89 8.641 14.845 6.226 701 HA HIS 89 HA HIS 89 9.065 17.076 4.496 702 HB2 HIS 89 2HB HIS 89 9.679 14.142 4.152 703 HB3 HIS 89 1HB HIS 89 9.712 15.211 2.795 704 HD1 HIS 89 1HD HIS 89 12.271 14.740 2.590 705 HD2 HIS 89 2HD HIS 89 11.103 16.733 6.014 706 HE1 HIS 89 1HE HIS 89 14.392 15.534 3.598 707 HE2 HIS 89 2HE HIS 89 13.618 17.085 5.453 708 H LYS 90 H LYS 90 8.395 17.321 2.462 709 HA LYS 90 HA LYS 90 5.630 16.576 2.050 710 HB2 LYS 90 2HB LYS 90 5.665 18.074 0.112 711 HB3 LYS 90 1HB LYS 90 6.377 18.891 1.492 712 HG2 LYS 90 2HG LYS 90 8.611 18.503 0.601 713 HG3 LYS 90 1HG LYS 90 7.937 17.583 -0.740 714 HD2 LYS 90 2HD LYS 90 6.720 19.624 -1.465 715 HD3 LYS 90 1HD LYS 90 7.504 20.514 -0.161 716 HE2 LYS 90 2HE LYS 90 8.904 19.113 -2.443 717 HE3 LYS 90 1HE LYS 90 8.641 20.850 -2.316 718 HZ1 LYS 90 3HZ LYS 90 10.851 20.300 -1.646 719 HZ2 LYS 90 1HZ LYS 90 10.329 19.194 -0.490 720 HZ3 LYS 90 2HZ LYS 90 10.007 20.843 -0.316 721 HA PRO 91 HA PRO 91 6.878 13.145 -0.597 722 HB2 PRO 91 2HB PRO 91 4.240 13.416 -1.884 723 HB3 PRO 91 1HB PRO 91 4.887 12.055 -0.967 724 HG2 PRO 91 2HG PRO 91 2.927 13.596 0.016 725 HG3 PRO 91 1HG PRO 91 4.191 12.915 1.059 726 HD2 PRO 91 2HD PRO 91 3.950 15.694 -0.041 727 HD3 PRO 91 1HD PRO 91 4.412 15.144 1.585 728 H THR 92 H THR 92 7.911 13.130 -2.648 729 HA THR 92 HA THR 92 7.530 15.470 -4.281 730 HB THR 92 HB THR 92 9.541 13.206 -4.329 731 HG1 THR 92 1HG THR 92 10.624 15.424 -3.779 732 HG21 THR 92 3HG2 THR 92 10.860 14.657 -5.723 733 HG22 THR 92 1HG2 THR 92 9.577 15.887 -5.656 734 HG23 THR 92 2HG2 THR 92 9.260 14.321 -6.415 735 H TYR 93 H TYR 93 7.033 15.085 -6.502 736 HA TYR 93 HA TYR 93 5.446 12.855 -7.029 737 HB2 TYR 93 2HB TYR 93 6.638 14.922 -8.847 738 HB3 TYR 93 1HB TYR 93 5.614 13.619 -9.427 739 HD1 TYR 93 2HD TYR 93 3.289 13.553 -8.945 740 HD2 TYR 93 1HD TYR 93 5.657 16.766 -7.481 741 HE1 TYR 93 2HE TYR 93 1.281 14.811 -8.492 742 HE2 TYR 93 1HE TYR 93 3.642 18.055 -7.033 743 HH TYR 93 HH TYR 93 1.356 18.139 -7.845 744 H GLU 94 H GLU 94 8.836 13.650 -7.891 745 HA GLU 94 HA GLU 94 9.322 11.396 -9.453 746 HB2 GLU 94 2HB GLU 94 10.854 13.358 -9.249 747 HB3 GLU 94 1HB GLU 94 11.277 12.805 -7.632 748 HG2 GLU 94 2HG GLU 94 11.976 10.657 -8.640 749 HG3 GLU 94 1HG GLU 94 11.734 11.398 -10.218 750 H ASN 95 H ASN 95 9.894 12.002 -5.980 751 HA ASN 95 HA ASN 95 10.906 9.504 -5.260 752 HB2 ASN 95 2HB ASN 95 9.199 11.394 -3.626 753 HB3 ASN 95 1HB ASN 95 10.070 10.022 -2.990 754 HD21 ASN 95 1HD2 ASN 95 11.139 11.462 -1.627 755 HD22 ASN 95 2HD2 ASN 95 12.479 12.407 -2.171 756 H LEU 96 H LEU 96 7.533 10.651 -5.204 757 HA LEU 96 HA LEU 96 6.471 8.248 -4.331 758 HB2 LEU 96 2HB LEU 96 5.272 10.391 -4.280 759 HB3 LEU 96 1HB LEU 96 5.169 10.373 -6.023 760 HG LEU 96 HG LEU 96 3.704 8.399 -5.931 761 HD11 LEU 96 1HD1 LEU 96 4.549 7.383 -3.872 762 HD12 LEU 96 2HD1 LEU 96 2.807 7.637 -3.782 763 HD13 LEU 96 3HD1 LEU 96 3.901 8.729 -2.937 764 HD21 LEU 96 3HD2 LEU 96 2.712 10.618 -5.929 765 HD22 LEU 96 1HD2 LEU 96 2.845 10.684 -4.174 766 HD23 LEU 96 2HD2 LEU 96 1.761 9.514 -4.932 767 H GLN 97 H GLN 97 6.857 9.384 -7.797 768 HA GLN 97 HA GLN 97 5.621 7.074 -8.747 769 HB2 GLN 97 2HB GLN 97 6.343 7.679 -10.909 770 HB3 GLN 97 1HB GLN 97 5.988 9.172 -10.072 771 HG2 GLN 97 2HG GLN 97 8.408 9.454 -9.657 772 HG3 GLN 97 1HG GLN 97 8.659 7.979 -10.600 773 HE21 GLN 97 1HE2 GLN 97 8.378 8.008 -12.822 774 HE22 GLN 97 2HE2 GLN 97 8.278 9.481 -13.706 775 H LYS 98 H LYS 98 8.939 7.727 -7.825 776 HA LYS 98 HA LYS 98 10.016 5.356 -8.919 777 HB2 LYS 98 2HB LYS 98 11.021 7.065 -6.639 778 HB3 LYS 98 1HB LYS 98 11.945 5.732 -7.303 779 HG2 LYS 98 2HG LYS 98 11.886 6.893 -9.515 780 HG3 LYS 98 1HG LYS 98 11.096 8.248 -8.721 781 HD2 LYS 98 2HD LYS 98 13.860 7.179 -8.097 782 HD3 LYS 98 1HD LYS 98 13.499 8.650 -8.992 783 HE2 LYS 98 2HE LYS 98 12.379 9.546 -6.948 784 HE3 LYS 98 1HE LYS 98 12.889 8.099 -6.086 785 HZ1 LYS 98 3HZ LYS 98 14.469 9.872 -5.668 786 HZ2 LYS 98 1HZ LYS 98 14.657 10.129 -7.324 787 HZ3 LYS 98 2HZ LYS 98 15.208 8.704 -6.613 788 H SER 99 H SER 99 8.553 6.047 -5.771 789 HA SER 99 HA SER 99 9.030 3.438 -4.730 790 HB2 SER 99 2HB SER 99 7.354 4.040 -3.007 791 HB3 SER 99 1HB SER 99 8.477 5.355 -3.252 792 HG SER 99 HG SER 99 6.582 5.965 -4.868 793 H LEU 100 H LEU 100 6.322 4.822 -6.627 794 HA LEU 100 HA LEU 100 4.677 2.520 -6.827 795 HB2 LEU 100 2HB LEU 100 5.172 4.938 -8.571 796 HB3 LEU 100 1HB LEU 100 4.130 3.651 -9.108 797 HG LEU 100 HG LEU 100 3.093 5.756 -8.133 798 HD11 LEU 100 1HD1 LEU 100 1.270 4.460 -7.063 799 HD12 LEU 100 2HD1 LEU 100 2.333 3.054 -7.012 800 HD13 LEU 100 3HD1 LEU 100 1.828 3.724 -8.566 801 HD21 LEU 100 3HD2 LEU 100 2.725 5.760 -5.699 802 HD22 LEU 100 1HD2 LEU 100 4.425 5.969 -6.118 803 HD23 LEU 100 2HD2 LEU 100 3.847 4.406 -5.545 804 H GLU 101 H GLU 101 7.386 3.584 -8.894 805 HA GLU 101 HA GLU 101 7.390 1.528 -10.774 806 HB2 GLU 101 2HB GLU 101 9.672 2.987 -9.467 807 HB3 GLU 101 1HB GLU 101 9.896 1.849 -10.775 808 HG2 GLU 101 2HG GLU 101 8.161 4.268 -10.964 809 HG3 GLU 101 1HG GLU 101 9.885 4.261 -11.347 810 H ALA 102 H ALA 102 9.127 1.712 -7.765 811 HA ALA 102 HA ALA 102 10.254 -0.857 -7.752 812 HB1 ALA 102 1HB ALA 102 10.886 0.978 -6.182 813 HB2 ALA 102 2HB ALA 102 10.617 -0.574 -5.385 814 HB3 ALA 102 3HB ALA 102 9.385 0.682 -5.304 815 H MET 103 H MET 103 7.183 0.263 -6.436 816 HA MET 103 HA MET 103 6.375 -2.170 -5.359 817 HB2 MET 103 2HB MET 103 5.388 -0.181 -4.546 818 HB3 MET 103 1HB MET 103 4.899 0.323 -6.154 819 HG2 MET 103 2HG MET 103 3.299 -1.169 -6.298 820 HG3 MET 103 1HG MET 103 3.794 -2.156 -4.873 821 HE1 MET 103 3HE MET 103 3.317 1.712 -5.536 822 HE2 MET 103 1HE MET 103 1.689 1.964 -4.910 823 HE3 MET 103 2HE MET 103 1.940 0.946 -6.330 824 H LYS 104 H LYS 104 5.511 -0.660 -8.511 825 HA LYS 104 HA LYS 104 3.852 -2.754 -9.349 826 HB2 LYS 104 2HB LYS 104 3.918 -1.705 -11.528 827 HB3 LYS 104 1HB LYS 104 3.815 -0.484 -10.287 828 HG2 LYS 104 2HG LYS 104 5.210 0.411 -11.807 829 HG3 LYS 104 1HG LYS 104 6.325 -0.229 -10.600 830 HD2 LYS 104 2HD LYS 104 6.688 -2.203 -12.043 831 HD3 LYS 104 1HD LYS 104 5.551 -1.484 -13.198 832 HE2 LYS 104 2HE LYS 104 7.001 0.408 -13.518 833 HE3 LYS 104 1HE LYS 104 8.144 -0.214 -12.322 834 HZ1 LYS 104 3HZ LYS 104 8.902 -0.668 -14.551 835 HZ2 LYS 104 1HZ LYS 104 7.475 -1.428 -14.954 836 HZ3 LYS 104 2HZ LYS 104 8.514 -2.142 -13.832 837 H SER 105 H SER 105 7.290 -2.302 -9.466 838 HA SER 105 HA SER 105 7.928 -4.383 -11.260 839 HB2 SER 105 2HB SER 105 9.481 -2.564 -10.734 840 HB3 SER 105 1HB SER 105 9.547 -3.085 -9.055 841 HG SER 105 HG SER 105 11.262 -3.965 -9.887 842 H HIS 106 H HIS 106 7.704 -4.211 -7.719 843 HA HIS 106 HA HIS 106 8.520 -6.895 -7.286 844 HB2 HIS 106 2HB HIS 106 8.630 -5.203 -5.505 845 HB3 HIS 106 1HB HIS 106 6.865 -5.124 -5.495 846 HD1 HIS 106 1HD HIS 106 5.854 -6.527 -3.725 847 HD2 HIS 106 2HD HIS 106 9.338 -8.099 -5.229 848 HE1 HIS 106 1HE HIS 106 6.205 -8.497 -2.368 849 HE2 HIS 106 2HE HIS 106 8.601 -9.172 -2.924 850 H CYS 107 H CYS 107 5.381 -5.406 -7.764 851 HA CYS 107 HA CYS 107 3.904 -7.679 -7.153 852 HB2 CYS 107 2HB CYS 107 3.285 -5.383 -8.994 853 HB3 CYS 107 1HB CYS 107 2.111 -6.617 -8.548 854 HG CYS 107 HG CYS 107 1.352 -4.684 -6.965 855 H LEU 108 H LEU 108 5.505 -6.693 -10.136 856 HA LEU 108 HA LEU 108 4.467 -8.662 -11.841 857 HB2 LEU 108 2HB LEU 108 7.181 -7.390 -11.809 858 HB3 LEU 108 1HB LEU 108 6.492 -8.286 -13.143 859 HG LEU 108 HG LEU 108 5.489 -5.672 -12.052 860 HD11 LEU 108 1HD1 LEU 108 6.875 -6.372 -14.619 861 HD12 LEU 108 2HD1 LEU 108 7.562 -5.494 -13.250 862 HD13 LEU 108 3HD1 LEU 108 6.242 -4.775 -14.180 863 HD21 LEU 108 3HD2 LEU 108 3.705 -7.081 -12.826 864 HD22 LEU 108 1HD2 LEU 108 4.526 -7.335 -14.366 865 HD23 LEU 108 2HD2 LEU 108 3.935 -5.718 -13.934 866 H LYS 109 H LYS 109 7.190 -8.663 -9.606 867 HA LYS 109 HA LYS 109 8.328 -11.124 -10.446 868 HB2 LYS 109 2HB LYS 109 8.483 -9.782 -7.754 869 HB3 LYS 109 1HB LYS 109 9.593 -11.000 -8.373 870 HG2 LYS 109 2HG LYS 109 10.146 -9.524 -10.194 871 HG3 LYS 109 1HG LYS 109 9.117 -8.283 -9.517 872 HD2 LYS 109 2HD LYS 109 10.451 -8.237 -7.453 873 HD3 LYS 109 1HD LYS 109 11.526 -9.466 -8.121 874 HE2 LYS 109 2HE LYS 109 12.130 -7.950 -9.940 875 HE3 LYS 109 1HE LYS 109 11.051 -6.722 -9.284 876 HZ1 LYS 109 3HZ LYS 109 13.411 -7.857 -7.906 877 HZ2 LYS 109 1HZ LYS 109 12.406 -6.634 -7.301 878 HZ3 LYS 109 2HZ LYS 109 13.364 -6.361 -8.684 879 H ASN 110 H ASN 110 5.691 -10.366 -8.626 880 HA ASN 110 HA ASN 110 5.481 -13.109 -7.506 881 HB2 ASN 110 2HB ASN 110 4.389 -10.546 -6.376 882 HB3 ASN 110 1HB ASN 110 3.981 -12.144 -5.753 883 HD21 ASN 110 1HD2 ASN 110 6.517 -9.803 -6.189 884 HD22 ASN 110 2HD2 ASN 110 7.607 -10.481 -5.035 885 H GLY 111 H GLY 111 4.204 -11.285 -9.898 886 HA2 GLY 111 2HA GLY 111 2.354 -11.538 -11.234 887 HA3 GLY 111 1HA GLY 111 2.032 -13.044 -10.382 888 H VAL 112 H VAL 112 2.232 -9.898 -8.866 889 HA VAL 112 HA VAL 112 -0.472 -10.213 -7.831 890 HB VAL 112 HB VAL 112 1.678 -8.171 -7.154 891 HG11 VAL 112 1HG1 VAL 112 -0.540 -7.221 -6.831 892 HG12 VAL 112 2HG1 VAL 112 0.245 -7.522 -5.283 893 HG13 VAL 112 3HG1 VAL 112 -1.011 -8.618 -5.861 894 HG21 VAL 112 3HG2 VAL 112 1.810 -9.342 -5.020 895 HG22 VAL 112 1HG2 VAL 112 2.211 -10.420 -6.366 896 HG23 VAL 112 2HG2 VAL 112 0.621 -10.515 -5.603 897 H THR 113 H THR 113 -2.083 -9.320 -8.868 898 HA THR 113 HA THR 113 -1.582 -6.857 -10.419 899 HB THR 113 HB THR 113 -3.418 -7.586 -11.926 900 HG1 THR 113 1HG THR 113 -4.617 -9.060 -11.068 901 HG21 THR 113 3HG2 THR 113 -1.094 -8.034 -12.574 902 HG22 THR 113 1HG2 THR 113 -2.157 -9.323 -13.136 903 HG23 THR 113 2HG2 THR 113 -1.142 -9.574 -11.716 904 H ASP 114 H ASP 114 -2.649 -7.546 -7.579 905 HA ASP 114 HA ASP 114 -4.915 -5.693 -7.814 906 HB2 ASP 114 2HB ASP 114 -4.890 -8.108 -5.979 907 HB3 ASP 114 1HB ASP 114 -6.174 -6.923 -6.109 908 H LEU 115 H LEU 115 -4.641 -3.991 -6.589 909 HA LEU 115 HA LEU 115 -3.041 -4.087 -4.143 910 HB2 LEU 115 2HB LEU 115 -2.610 -2.391 -6.557 911 HB3 LEU 115 1HB LEU 115 -2.127 -1.750 -5.026 912 HG LEU 115 HG LEU 115 -1.181 -4.374 -6.120 913 HD11 LEU 115 1HD1 LEU 115 0.927 -3.060 -6.642 914 HD12 LEU 115 2HD1 LEU 115 0.123 -1.605 -6.064 915 HD13 LEU 115 3HD1 LEU 115 -0.451 -2.404 -7.526 916 HD21 LEU 115 3HD2 LEU 115 0.587 -4.138 -4.441 917 HD22 LEU 115 1HD2 LEU 115 -1.015 -4.152 -3.704 918 HD23 LEU 115 2HD2 LEU 115 -0.149 -2.632 -3.891 919 H SER 116 H SER 116 -3.662 -2.620 -2.573 920 HA SER 116 HA SER 116 -5.685 -0.689 -3.271 921 HB2 SER 116 2HB SER 116 -5.905 -2.697 -1.020 922 HB3 SER 116 1HB SER 116 -6.989 -1.324 -1.255 923 HG SER 116 HG SER 116 -7.753 -3.361 -2.159 924 H MET 117 H MET 117 -5.553 1.159 -2.069 925 HA MET 117 HA MET 117 -3.677 1.307 0.120 926 HB2 MET 117 2HB MET 117 -2.258 3.006 -0.945 927 HB3 MET 117 1HB MET 117 -2.244 1.532 -1.869 928 HG2 MET 117 2HG MET 117 -3.932 2.542 -3.428 929 HG3 MET 117 1HG MET 117 -3.755 4.050 -2.535 930 HE1 MET 117 3HE MET 117 -0.409 2.064 -5.007 931 HE2 MET 117 1HE MET 117 -2.022 1.380 -4.807 932 HE3 MET 117 2HE MET 117 -0.909 1.432 -3.445 933 HA PRO 118 HA PRO 118 -6.561 4.487 1.241 934 HB2 PRO 118 2HB PRO 118 -5.148 6.093 2.830 935 HB3 PRO 118 1HB PRO 118 -5.408 4.404 3.283 936 HG2 PRO 118 2HG PRO 118 -3.021 5.641 1.955 937 HG3 PRO 118 1HG PRO 118 -3.045 4.562 3.352 938 HD2 PRO 118 2HD PRO 118 -2.546 3.686 0.874 939 HD3 PRO 118 1HD PRO 118 -3.401 2.687 2.064 940 H ARG 119 H ARG 119 -6.384 7.096 1.614 941 HA ARG 119 HA ARG 119 -5.946 8.170 -1.015 942 HB2 ARG 119 2HB ARG 119 -7.840 8.802 0.589 943 HB3 ARG 119 1HB ARG 119 -6.642 9.670 1.521 944 HG2 ARG 119 2HG ARG 119 -7.824 11.235 0.176 945 HG3 ARG 119 1HG ARG 119 -6.193 11.072 -0.480 946 HD2 ARG 119 2HD ARG 119 -6.994 9.631 -2.245 947 HD3 ARG 119 1HD ARG 119 -8.608 9.605 -1.541 948 HE ARG 119 HE ARG 119 -7.630 12.224 -2.186 949 HH11 ARG 119 1HH1 ARG 119 -9.439 9.431 -3.461 950 HH12 ARG 119 2HH1 ARG 119 -10.285 10.363 -4.617 951 HH21 ARG 119 1HH2 ARG 119 -8.799 13.444 -3.754 952 HH22 ARG 119 2HH2 ARG 119 -9.917 12.685 -4.787 953 H ILE 120 H ILE 120 -3.716 7.779 -1.164 954 HA ILE 120 HA ILE 120 -1.789 8.684 0.725 955 HB ILE 120 HB ILE 120 -0.109 8.007 -0.992 956 HG12 ILE 120 2HG1 ILE 120 -2.567 7.301 -2.605 957 HG13 ILE 120 1HG1 ILE 120 -1.443 8.606 -2.997 958 HG21 ILE 120 1HG2 ILE 120 -0.947 6.395 0.634 959 HG22 ILE 120 2HG2 ILE 120 -0.676 5.605 -0.921 960 HG23 ILE 120 3HG2 ILE 120 -2.312 6.023 -0.418 961 HD11 ILE 120 3HD1 ILE 120 -1.141 6.683 -4.388 962 HD12 ILE 120 1HD1 ILE 120 -0.915 5.649 -2.995 963 HD13 ILE 120 2HD1 ILE 120 0.300 6.888 -3.369 964 H GLY 121 H GLY 121 -3.345 10.313 -1.801 965 HA2 GLY 121 2HA GLY 121 -1.222 12.358 -1.849 966 HA3 GLY 121 1HA GLY 121 -2.309 12.058 -3.197 967 H CYS 122 H CYS 122 -2.583 12.676 0.272 968 HA CYS 122 HA CYS 122 -4.136 15.041 -0.173 969 HB2 CYS 122 2HB CYS 122 -5.825 13.204 -0.331 970 HB3 CYS 122 1HB CYS 122 -5.330 12.636 1.256 971 HG CYS 122 HG CYS 122 -7.678 13.813 1.777 972 H GLY 123 H GLY 123 -4.689 15.901 2.130 973 HA2 GLY 123 2HA GLY 123 -4.113 16.217 4.345 974 HA3 GLY 123 1HA GLY 123 -2.961 14.892 4.222 975 H LEU 124 H LEU 124 -1.317 15.552 2.326 976 HA LEU 124 HA LEU 124 -0.151 18.075 3.223 977 HB2 LEU 124 2HB LEU 124 1.166 15.742 1.786 978 HB3 LEU 124 1HB LEU 124 1.981 17.241 2.166 979 HG LEU 124 HG LEU 124 1.609 16.724 4.619 980 HD11 LEU 124 1HD1 LEU 124 -0.227 15.174 4.452 981 HD12 LEU 124 2HD1 LEU 124 1.139 14.443 5.293 982 HD13 LEU 124 3HD1 LEU 124 0.797 14.010 3.616 983 HD21 LEU 124 3HD2 LEU 124 3.194 14.687 3.092 984 HD22 LEU 124 1HD2 LEU 124 3.421 15.130 4.778 985 HD23 LEU 124 2HD2 LEU 124 3.757 16.311 3.508 986 H ASP 125 H ASP 125 -0.962 19.611 2.066 987 HA ASP 125 HA ASP 125 -2.072 19.312 -0.516 988 HB2 ASP 125 2HB ASP 125 -1.608 21.758 1.154 989 HB3 ASP 125 1HB ASP 125 -2.423 21.777 -0.403 990 H ARG 126 H ARG 126 1.072 19.421 0.020 991 HA ARG 126 HA ARG 126 1.892 21.365 -1.879 992 HB2 ARG 126 2HB ARG 126 3.317 19.004 -0.700 993 HB3 ARG 126 1HB ARG 126 4.000 19.792 -2.107 994 HG2 ARG 126 2HG ARG 126 5.033 20.651 -0.098 995 HG3 ARG 126 1HG ARG 126 4.084 21.906 -0.878 996 HD2 ARG 126 2HD ARG 126 2.288 21.518 0.759 997 HD3 ARG 126 1HD ARG 126 3.294 20.304 1.557 998 HE ARG 126 HE ARG 126 4.539 22.868 1.215 999 HH11 ARG 126 1HH1 ARG 126 2.536 20.935 3.442 1000 HH12 ARG 126 2HH1 ARG 126 2.993 21.813 4.813 1001 HH21 ARG 126 1HH2 ARG 126 5.110 24.094 3.140 1002 HH22 ARG 126 2HH2 ARG 126 4.430 23.663 4.629 1003 H LEU 127 H LEU 127 0.775 18.114 -2.190 1004 HA LEU 127 HA LEU 127 0.860 18.503 -5.038 1005 HB2 LEU 127 2HB LEU 127 1.160 16.059 -5.386 1006 HB3 LEU 127 1HB LEU 127 2.547 16.867 -4.716 1007 HG LEU 127 HG LEU 127 0.648 15.212 -3.035 1008 HD11 LEU 127 1HD1 LEU 127 3.281 14.470 -4.329 1009 HD12 LEU 127 2HD1 LEU 127 1.701 13.883 -4.837 1010 HD13 LEU 127 3HD1 LEU 127 2.330 13.444 -3.248 1011 HD21 LEU 127 3HD2 LEU 127 2.067 16.892 -1.927 1012 HD22 LEU 127 1HD2 LEU 127 3.467 16.139 -2.681 1013 HD23 LEU 127 2HD2 LEU 127 2.517 15.226 -1.486 1014 H GLN 128 H GLN 128 -0.781 17.328 -6.176 1015 HA GLN 128 HA GLN 128 -3.216 17.140 -4.500 1016 HB2 GLN 128 2HB GLN 128 -3.058 17.920 -7.408 1017 HB3 GLN 128 1HB GLN 128 -4.511 17.839 -6.430 1018 HG2 GLN 128 2HG GLN 128 -2.202 19.680 -6.042 1019 HG3 GLN 128 1HG GLN 128 -3.763 20.083 -6.762 1020 HE21 GLN 128 1HE2 GLN 128 -2.429 21.167 -4.366 1021 HE22 GLN 128 2HE2 GLN 128 -3.541 20.991 -3.065 1022 H TRP 129 H TRP 129 -4.643 15.509 -4.879 1023 HA TRP 129 HA TRP 129 -3.655 13.049 -5.627 1024 HB2 TRP 129 2HB TRP 129 -5.631 13.270 -4.202 1025 HB3 TRP 129 1HB TRP 129 -6.564 13.899 -5.563 1026 HD1 TRP 129 HD TRP 129 -7.584 12.160 -7.233 1027 HE1 TRP 129 1HE TRP 129 -7.587 9.625 -7.375 1028 HE3 TRP 129 3HE TRP 129 -4.168 11.203 -3.600 1029 HZ2 TRP 129 2HZ TRP 129 -6.250 7.423 -6.054 1030 HZ3 TRP 129 3HZ TRP 129 -3.591 8.890 -3.093 1031 HH2 TRP 129 HH TRP 129 -4.612 7.035 -4.295 1032 H GLU 130 H GLU 130 -5.362 15.393 -7.577 1033 HA GLU 130 HA GLU 130 -5.957 13.939 -9.853 1034 HB2 GLU 130 2HB GLU 130 -6.636 16.240 -9.530 1035 HB3 GLU 130 1HB GLU 130 -4.965 16.773 -9.625 1036 HG2 GLU 130 2HG GLU 130 -4.883 15.989 -11.952 1037 HG3 GLU 130 1HG GLU 130 -6.589 15.548 -11.842 1038 H ASN 131 H ASN 131 -2.955 15.688 -9.116 1039 HA ASN 131 HA ASN 131 -1.627 14.830 -11.490 1040 HB2 ASN 131 2HB ASN 131 -0.410 15.831 -8.910 1041 HB3 ASN 131 1HB ASN 131 0.422 15.719 -10.456 1042 HD21 ASN 131 1HD2 ASN 131 -1.725 17.483 -8.493 1043 HD22 ASN 131 2HD2 ASN 131 -1.938 18.848 -9.522 1044 H VAL 132 H VAL 132 -1.744 13.689 -8.172 1045 HA VAL 132 HA VAL 132 0.266 11.750 -8.270 1046 HB VAL 132 HB VAL 132 -2.282 11.747 -6.621 1047 HG11 VAL 132 1HG1 VAL 132 -1.334 9.507 -6.712 1048 HG12 VAL 132 2HG1 VAL 132 -1.101 10.209 -5.109 1049 HG13 VAL 132 3HG1 VAL 132 0.245 10.139 -6.252 1050 HG21 VAL 132 3HG2 VAL 132 -0.840 12.621 -4.834 1051 HG22 VAL 132 1HG2 VAL 132 -0.882 13.697 -6.230 1052 HG23 VAL 132 2HG2 VAL 132 0.513 12.646 -5.966 1053 H SER 133 H SER 133 -3.244 11.309 -8.741 1054 HA SER 133 HA SER 133 -3.185 8.624 -9.335 1055 HB2 SER 133 2HB SER 133 -5.408 9.070 -10.455 1056 HB3 SER 133 1HB SER 133 -5.266 9.645 -8.793 1057 HG SER 133 HG SER 133 -4.979 11.717 -9.560 1058 H ALA 134 H ALA 134 -2.935 11.369 -11.572 1059 HA ALA 134 HA ALA 134 -2.884 9.899 -13.960 1060 HB1 ALA 134 1HB ALA 134 -3.144 12.344 -13.878 1061 HB2 ALA 134 2HB ALA 134 -1.831 11.868 -14.956 1062 HB3 ALA 134 3HB ALA 134 -1.470 12.493 -13.347 1063 H MET 135 H MET 135 -0.238 10.966 -11.909 1064 HA MET 135 HA MET 135 1.877 9.850 -13.342 1065 HB2 MET 135 2HB MET 135 2.179 11.549 -11.622 1066 HB3 MET 135 1HB MET 135 1.613 10.419 -10.404 1067 HG2 MET 135 2HG MET 135 3.543 9.043 -10.695 1068 HG3 MET 135 1HG MET 135 4.099 10.025 -12.052 1069 HE1 MET 135 3HE MET 135 3.905 11.553 -7.717 1070 HE2 MET 135 1HE MET 135 3.431 9.915 -8.173 1071 HE3 MET 135 2HE MET 135 2.457 11.302 -8.690 1072 H ILE 136 H ILE 136 -0.129 8.476 -10.762 1073 HA ILE 136 HA ILE 136 1.260 6.038 -10.479 1074 HB ILE 136 HB ILE 136 -1.691 6.640 -10.083 1075 HG12 ILE 136 2HG1 ILE 136 0.572 6.390 -8.091 1076 HG13 ILE 136 1HG1 ILE 136 -0.161 7.897 -8.619 1077 HG21 ILE 136 1HG2 ILE 136 -1.820 4.575 -8.757 1078 HG22 ILE 136 2HG2 ILE 136 -0.160 4.190 -9.201 1079 HG23 ILE 136 3HG2 ILE 136 -1.413 4.246 -10.441 1080 HD11 ILE 136 3HD1 ILE 136 -1.531 5.701 -7.078 1081 HD12 ILE 136 1HD1 ILE 136 -2.285 7.203 -7.622 1082 HD13 ILE 136 2HD1 ILE 136 -0.978 7.250 -6.437 1083 H GLU 137 H GLU 137 -1.355 7.031 -12.600 1084 HA GLU 137 HA GLU 137 -1.642 4.552 -13.906 1085 HB2 GLU 137 2HB GLU 137 -2.355 7.325 -14.849 1086 HB3 GLU 137 1HB GLU 137 -2.900 5.836 -15.609 1087 HG2 GLU 137 2HG GLU 137 -4.067 5.235 -13.537 1088 HG3 GLU 137 1HG GLU 137 -3.533 6.748 -12.814 1089 H GLU 138 H GLU 138 0.507 7.280 -14.409 1090 HA GLU 138 HA GLU 138 1.500 6.528 -16.957 1091 HB2 GLU 138 2HB GLU 138 2.981 7.970 -14.732 1092 HB3 GLU 138 1HB GLU 138 3.542 7.829 -16.383 1093 HG2 GLU 138 2HG GLU 138 1.504 9.140 -17.082 1094 HG3 GLU 138 1HG GLU 138 1.174 9.371 -15.358 1095 H VAL 139 H VAL 139 2.636 5.834 -13.690 1096 HA VAL 139 HA VAL 139 4.817 4.207 -14.407 1097 HB VAL 139 HB VAL 139 3.188 4.234 -11.842 1098 HG11 VAL 139 1HG1 VAL 139 4.348 2.102 -12.087 1099 HG12 VAL 139 2HG1 VAL 139 5.100 3.057 -10.808 1100 HG13 VAL 139 3HG1 VAL 139 5.864 2.943 -12.388 1101 HG21 VAL 139 3HG2 VAL 139 5.067 5.554 -10.943 1102 HG22 VAL 139 1HG2 VAL 139 4.335 6.352 -12.330 1103 HG23 VAL 139 2HG2 VAL 139 5.872 5.497 -12.494 1104 H PHE 140 H PHE 140 1.564 3.310 -13.355 1105 HA PHE 140 HA PHE 140 2.025 0.558 -13.777 1106 HB2 PHE 140 2HB PHE 140 -0.342 2.102 -12.902 1107 HB3 PHE 140 1HB PHE 140 -0.552 0.447 -13.448 1108 HD1 PHE 140 2HD PHE 140 0.364 -1.411 -12.210 1109 HD2 PHE 140 1HD PHE 140 0.864 2.591 -10.829 1110 HE1 PHE 140 2HE PHE 140 0.937 -2.246 -10.015 1111 HE2 PHE 140 1HE PHE 140 1.469 1.693 -8.598 1112 HZ PHE 140 HZ PHE 140 1.467 -0.807 -8.260 1113 H GLU 141 H GLU 141 1.226 2.907 -16.036 1114 HA GLU 141 HA GLU 141 -0.672 1.871 -17.632 1115 HB2 GLU 141 2HB GLU 141 0.465 4.029 -17.901 1116 HB3 GLU 141 1HB GLU 141 1.864 3.190 -18.545 1117 HG2 GLU 141 2HG GLU 141 0.464 2.330 -20.350 1118 HG3 GLU 141 1HG GLU 141 -0.875 3.280 -19.695 1119 H ALA 142 H ALA 142 2.700 0.929 -17.684 1120 HA ALA 142 HA ALA 142 2.383 -0.852 -19.926 1121 HB1 ALA 142 1HB ALA 142 4.673 -1.525 -19.552 1122 HB2 ALA 142 2HB ALA 142 4.670 -0.730 -17.976 1123 HB3 ALA 142 3HB ALA 142 4.541 0.230 -19.452 1124 H THR 143 H THR 143 1.882 -1.170 -16.605 1125 HA THR 143 HA THR 143 1.954 -4.094 -16.748 1126 HB THR 143 HB THR 143 1.736 -4.021 -14.276 1127 HG1 THR 143 1HG THR 143 1.004 -1.466 -14.803 1128 HG21 THR 143 3HG2 THR 143 3.904 -2.170 -15.285 1129 HG22 THR 143 1HG2 THR 143 4.012 -3.929 -15.225 1130 HG23 THR 143 2HG2 THR 143 3.890 -2.993 -13.731 1131 H ASP 144 H ASP 144 -0.004 -5.050 -15.333 1132 HA ASP 144 HA ASP 144 -2.348 -3.371 -15.683 1133 HB2 ASP 144 2HB ASP 144 -2.249 -5.057 -17.577 1134 HB3 ASP 144 1HB ASP 144 -2.393 -6.325 -16.365 1135 H ILE 145 H ILE 145 -1.952 -2.945 -13.503 1136 HA ILE 145 HA ILE 145 -2.767 -5.123 -11.752 1137 HB ILE 145 HB ILE 145 -0.805 -2.843 -10.999 1138 HG12 ILE 145 2HG1 ILE 145 -0.303 -5.815 -11.418 1139 HG13 ILE 145 1HG1 ILE 145 0.061 -4.586 -12.611 1140 HG21 ILE 145 1HG2 ILE 145 -1.761 -5.167 -9.395 1141 HG22 ILE 145 2HG2 ILE 145 -2.167 -3.473 -9.144 1142 HG23 ILE 145 3HG2 ILE 145 -0.500 -4.015 -8.968 1143 HD11 ILE 145 3HD1 ILE 145 1.226 -4.684 -9.856 1144 HD12 ILE 145 1HD1 ILE 145 1.679 -3.597 -11.167 1145 HD13 ILE 145 2HD1 ILE 145 2.001 -5.326 -11.314 1146 H LYS 146 H LYS 146 -4.524 -4.757 -10.580 1147 HA LYS 146 HA LYS 146 -6.038 -2.352 -11.046 1148 HB2 LYS 146 2HB LYS 146 -6.641 -4.835 -9.446 1149 HB3 LYS 146 1HB LYS 146 -7.792 -3.565 -9.826 1150 HG2 LYS 146 2HG LYS 146 -6.407 -5.337 -11.830 1151 HG3 LYS 146 1HG LYS 146 -8.057 -5.538 -11.256 1152 HD2 LYS 146 2HD LYS 146 -7.007 -3.123 -12.737 1153 HD3 LYS 146 1HD LYS 146 -7.938 -4.435 -13.449 1154 HE2 LYS 146 2HE LYS 146 -9.818 -3.895 -11.928 1155 HE3 LYS 146 1HE LYS 146 -8.877 -2.555 -11.277 1156 HZ1 LYS 146 3HZ LYS 146 -8.871 -1.522 -13.432 1157 HZ2 LYS 146 1HZ LYS 146 -10.461 -1.851 -13.015 1158 HZ3 LYS 146 2HZ LYS 146 -9.657 -2.844 -14.109 1159 H ILE 147 H ILE 147 -6.105 -0.687 -9.698 1160 HA ILE 147 HA ILE 147 -4.900 -1.035 -7.060 1161 HB ILE 147 HB ILE 147 -4.979 1.392 -8.875 1162 HG12 ILE 147 2HG1 ILE 147 -2.648 -0.375 -8.120 1163 HG13 ILE 147 1HG1 ILE 147 -3.553 -0.528 -9.622 1164 HG21 ILE 147 1HG2 ILE 147 -4.965 1.985 -6.484 1165 HG22 ILE 147 2HG2 ILE 147 -3.415 2.370 -7.235 1166 HG23 ILE 147 3HG2 ILE 147 -3.576 0.930 -6.230 1167 HD11 ILE 147 3HD1 ILE 147 -1.476 0.641 -9.863 1168 HD12 ILE 147 1HD1 ILE 147 -2.028 1.885 -8.735 1169 HD13 ILE 147 2HD1 ILE 147 -2.842 1.653 -10.312 1170 H THR 148 H THR 148 -6.345 -0.842 -5.528 1171 HA THR 148 HA THR 148 -8.797 0.653 -6.054 1172 HB THR 148 HB THR 148 -8.296 -1.411 -3.899 1173 HG1 THR 148 1HG THR 148 -8.156 -2.629 -5.625 1174 HG21 THR 148 3HG2 THR 148 -10.812 -0.349 -5.185 1175 HG22 THR 148 1HG2 THR 148 -10.221 0.091 -3.585 1176 HG23 THR 148 2HG2 THR 148 -10.736 -1.562 -3.911 1177 H VAL 149 H VAL 149 -8.822 2.589 -5.108 1178 HA VAL 149 HA VAL 149 -7.138 3.014 -2.769 1179 HB VAL 149 HB VAL 149 -8.306 5.024 -4.717 1180 HG11 VAL 149 1HG1 VAL 149 -8.387 5.941 -2.420 1181 HG12 VAL 149 2HG1 VAL 149 -7.157 6.753 -3.388 1182 HG13 VAL 149 3HG1 VAL 149 -6.685 5.533 -2.206 1183 HG21 VAL 149 3HG2 VAL 149 -6.316 3.796 -5.435 1184 HG22 VAL 149 1HG2 VAL 149 -5.462 4.350 -3.989 1185 HG23 VAL 149 2HG2 VAL 149 -6.005 5.512 -5.203 1186 H TYR 150 H TYR 150 -8.008 2.955 -0.959 1187 HA TYR 150 HA TYR 150 -10.871 3.343 -0.668 1188 HB2 TYR 150 2HB TYR 150 -8.768 2.308 1.248 1189 HB3 TYR 150 1HB TYR 150 -10.440 2.571 1.705 1190 HD1 TYR 150 1HD TYR 150 -8.674 0.833 -1.147 1191 HD2 TYR 150 2HD TYR 150 -11.660 0.603 1.882 1192 HE1 TYR 150 1HE TYR 150 -9.191 -1.456 -1.832 1193 HE2 TYR 150 2HE TYR 150 -12.182 -1.695 1.188 1194 HH TYR 150 HH TYR 150 -10.174 -3.486 -0.953 1195 H THR 151 H THR 151 -11.650 5.134 0.067 1196 HA THR 151 HA THR 151 -9.785 7.222 0.761 1197 HB THR 151 HB THR 151 -11.810 8.702 0.545 1198 HG1 THR 151 1HG THR 151 -13.152 6.741 -0.863 1199 HG21 THR 151 3HG2 THR 151 -10.233 8.372 -1.314 1200 HG22 THR 151 1HG2 THR 151 -11.883 8.557 -1.907 1201 HG23 THR 151 2HG2 THR 151 -11.144 6.959 -1.836 1202 H LEU 152 H LEU 152 -9.610 8.113 2.683 1203 HA LEU 152 HA LEU 152 -11.091 6.912 4.875 1204 HB2 LEU 152 2HB LEU 152 -8.656 8.708 4.885 1205 HB3 LEU 152 1HB LEU 152 -9.370 7.951 6.291 1206 HG LEU 152 HG LEU 152 -8.020 6.507 4.006 1207 HD11 LEU 152 1HD1 LEU 152 -6.306 5.969 5.656 1208 HD12 LEU 152 2HD1 LEU 152 -7.140 6.966 6.850 1209 HD13 LEU 152 3HD1 LEU 152 -6.447 7.707 5.406 1210 HD21 LEU 152 3HD2 LEU 152 -9.188 5.434 6.578 1211 HD22 LEU 152 1HD2 LEU 152 -8.253 4.503 5.411 1212 HD23 LEU 152 2HD2 LEU 152 -9.824 5.160 4.956 Start of MODEL 15 1 H GLU 1 H GLU 1 -17.937 -25.181 7.845 2 HA GLU 1 HA GLU 1 -16.038 -23.970 7.640 3 HB2 GLU 1 2HB GLU 1 -16.857 -24.238 4.767 4 HB3 GLU 1 1HB GLU 1 -15.251 -23.767 5.314 5 HG2 GLU 1 2HG GLU 1 -15.011 -25.864 6.508 6 HG3 GLU 1 1HG GLU 1 -16.632 -26.336 6.000 7 H ALA 2 H ALA 2 -15.053 -22.031 5.990 8 HA ALA 2 HA ALA 2 -16.745 -19.823 6.792 9 HB1 ALA 2 1HB ALA 2 -13.857 -19.766 5.908 10 HB2 ALA 2 2HB ALA 2 -14.416 -19.728 7.580 11 HB3 ALA 2 3HB ALA 2 -14.787 -18.388 6.493 12 H SER 3 H SER 3 -18.150 -20.499 5.079 13 HA SER 3 HA SER 3 -17.310 -20.191 2.384 14 HB2 SER 3 2HB SER 3 -20.125 -20.369 3.517 15 HB3 SER 3 1HB SER 3 -19.647 -20.633 1.845 16 HG SER 3 HG SER 3 -19.508 -22.368 3.979 17 H SER 4 H SER 4 -16.702 -18.205 1.813 18 HA SER 4 HA SER 4 -18.526 -16.033 2.357 19 HB2 SER 4 2HB SER 4 -16.493 -14.589 2.848 20 HB3 SER 4 1HB SER 4 -16.937 -15.759 4.092 21 HG SER 4 HG SER 4 -15.346 -17.160 3.088 22 H LEU 5 H LEU 5 -19.057 -15.094 0.604 23 HA LEU 5 HA LEU 5 -17.828 -15.620 -1.870 24 HB2 LEU 5 2HB LEU 5 -19.424 -14.124 -2.866 25 HB3 LEU 5 1HB LEU 5 -20.237 -15.126 -1.686 26 HG LEU 5 HG LEU 5 -19.490 -12.211 -1.319 27 HD11 LEU 5 1HD1 LEU 5 -22.153 -13.499 -1.853 28 HD12 LEU 5 2HD1 LEU 5 -21.229 -12.486 -2.969 29 HD13 LEU 5 3HD1 LEU 5 -21.894 -11.794 -1.490 30 HD21 LEU 5 3HD2 LEU 5 -21.169 -14.019 0.422 31 HD22 LEU 5 1HD2 LEU 5 -20.917 -12.286 0.671 32 HD23 LEU 5 2HD2 LEU 5 -19.562 -13.406 0.816 33 H ASN 6 H ASN 6 -16.657 -14.295 -3.201 34 HA ASN 6 HA ASN 6 -15.070 -12.311 -1.817 35 HB2 ASN 6 2HB ASN 6 -13.781 -13.840 -3.138 36 HB3 ASN 6 1HB ASN 6 -14.795 -13.590 -4.550 37 HD21 ASN 6 1HD2 ASN 6 -12.200 -12.248 -2.598 38 HD22 ASN 6 2HD2 ASN 6 -11.758 -11.028 -3.742 39 H GLU 7 H GLU 7 -16.300 -10.525 -1.571 40 HA GLU 7 HA GLU 7 -17.491 -9.450 -3.939 41 HB2 GLU 7 2HB GLU 7 -17.483 -8.385 -1.135 42 HB3 GLU 7 1HB GLU 7 -18.175 -7.520 -2.507 43 HG2 GLU 7 2HG GLU 7 -19.508 -9.478 -2.975 44 HG3 GLU 7 1HG GLU 7 -18.998 -10.183 -1.437 45 H ASP 8 H ASP 8 -16.432 -8.653 -5.245 46 HA ASP 8 HA ASP 8 -13.996 -7.157 -4.541 47 HB2 ASP 8 2HB ASP 8 -13.515 -9.263 -5.682 48 HB3 ASP 8 1HB ASP 8 -14.557 -8.784 -7.012 49 HA PRO 9 HA PRO 9 -15.987 -3.600 -6.390 50 HB2 PRO 9 2HB PRO 9 -13.133 -2.872 -6.817 51 HB3 PRO 9 1HB PRO 9 -14.435 -1.923 -6.095 52 HG2 PRO 9 2HG PRO 9 -12.575 -3.003 -4.553 53 HG3 PRO 9 1HG PRO 9 -14.275 -3.019 -4.050 54 HD2 PRO 9 2HD PRO 9 -12.612 -5.228 -5.174 55 HD3 PRO 9 1HD PRO 9 -13.856 -5.261 -3.901 56 H GLU 10 H GLU 10 -15.971 -2.580 -8.483 57 HA GLU 10 HA GLU 10 -15.277 -4.437 -10.560 58 HB2 GLU 10 2HB GLU 10 -17.517 -3.277 -10.480 59 HB3 GLU 10 1HB GLU 10 -16.680 -1.764 -10.783 60 HG2 GLU 10 2HG GLU 10 -15.890 -2.651 -12.924 61 HG3 GLU 10 1HG GLU 10 -16.775 -4.143 -12.616 62 H GLY 11 H GLY 11 -13.214 -4.196 -10.102 63 HA2 GLY 11 2HA GLY 11 -11.553 -2.013 -10.013 64 HA3 GLY 11 1HA GLY 11 -11.028 -3.598 -10.510 65 H SER 12 H SER 12 -10.772 -0.652 -11.208 66 HA SER 12 HA SER 12 -10.350 -1.042 -14.083 67 HB2 SER 12 2HB SER 12 -12.210 0.612 -13.589 68 HB3 SER 12 1HB SER 12 -11.098 1.510 -12.559 69 HG SER 12 HG SER 12 -11.086 2.530 -14.493 70 H ARG 13 H ARG 13 -8.723 1.388 -14.116 71 HA ARG 13 HA ARG 13 -6.420 0.468 -12.734 72 HB2 ARG 13 2HB ARG 13 -6.934 3.199 -13.939 73 HB3 ARG 13 1HB ARG 13 -5.391 2.704 -13.253 74 HG2 ARG 13 2HG ARG 13 -6.767 1.355 -15.558 75 HG3 ARG 13 1HG ARG 13 -5.452 2.513 -15.694 76 HD2 ARG 13 2HD ARG 13 -3.938 1.075 -14.556 77 HD3 ARG 13 1HD ARG 13 -5.156 -0.087 -14.121 78 HE ARG 13 HE ARG 13 -5.391 -0.094 -16.756 79 HH11 ARG 13 1HH1 ARG 13 -2.524 -0.267 -14.739 80 HH12 ARG 13 2HH1 ARG 13 -1.561 -1.084 -15.910 81 HH21 ARG 13 1HH2 ARG 13 -4.102 -1.300 -18.316 82 HH22 ARG 13 2HH2 ARG 13 -2.489 -1.713 -17.957 83 H ILE 14 H ILE 14 -7.654 3.745 -12.047 84 HA ILE 14 HA ILE 14 -7.415 2.910 -9.258 85 HB ILE 14 HB ILE 14 -7.890 5.658 -10.395 86 HG12 ILE 14 2HG1 ILE 14 -5.453 4.461 -9.065 87 HG13 ILE 14 1HG1 ILE 14 -5.617 4.811 -10.784 88 HG21 ILE 14 1HG2 ILE 14 -8.961 5.444 -8.188 89 HG22 ILE 14 2HG2 ILE 14 -7.544 6.482 -8.053 90 HG23 ILE 14 3HG2 ILE 14 -7.463 4.818 -7.504 91 HD11 ILE 14 3HD1 ILE 14 -5.615 6.828 -8.551 92 HD12 ILE 14 1HD1 ILE 14 -5.779 7.175 -10.269 93 HD13 ILE 14 2HD1 ILE 14 -4.285 6.486 -9.653 94 H THR 15 H THR 15 -8.988 2.336 -8.208 95 HA THR 15 HA THR 15 -11.712 2.946 -9.149 96 HB THR 15 HB THR 15 -10.823 0.536 -7.560 97 HG1 THR 15 1HG THR 15 -9.878 0.805 -9.728 98 HG21 THR 15 3HG2 THR 15 -13.225 1.066 -7.482 99 HG22 THR 15 1HG2 THR 15 -12.946 -0.423 -8.387 100 HG23 THR 15 2HG2 THR 15 -13.281 1.083 -9.244 101 H TYR 16 H TYR 16 -12.764 4.211 -7.694 102 HA TYR 16 HA TYR 16 -11.708 4.433 -4.976 103 HB2 TYR 16 2HB TYR 16 -13.855 6.049 -6.355 104 HB3 TYR 16 1HB TYR 16 -13.251 6.332 -4.732 105 HD1 TYR 16 2HD TYR 16 -10.734 6.877 -4.512 106 HD2 TYR 16 1HD TYR 16 -12.892 7.108 -8.168 107 HE1 TYR 16 2HE TYR 16 -9.024 8.387 -5.416 108 HE2 TYR 16 1HE TYR 16 -11.191 8.611 -9.082 109 HH TYR 16 HH TYR 16 -9.542 10.163 -8.227 110 H VAL 17 H VAL 17 -12.574 3.297 -3.431 111 HA VAL 17 HA VAL 17 -15.421 2.573 -3.579 112 HB VAL 17 HB VAL 17 -13.201 0.724 -2.659 113 HG11 VAL 17 1HG1 VAL 17 -14.924 -1.002 -2.620 114 HG12 VAL 17 2HG1 VAL 17 -16.134 0.202 -3.067 115 HG13 VAL 17 3HG1 VAL 17 -15.297 0.325 -1.518 116 HG21 VAL 17 3HG2 VAL 17 -13.640 -0.626 -4.626 117 HG22 VAL 17 1HG2 VAL 17 -13.081 0.995 -5.060 118 HG23 VAL 17 2HG2 VAL 17 -14.795 0.588 -5.202 119 H LYS 18 H LYS 18 -16.412 2.859 -1.576 120 HA LYS 18 HA LYS 18 -14.648 3.748 0.516 121 HB2 LYS 18 2HB LYS 18 -16.654 4.315 1.782 122 HB3 LYS 18 1HB LYS 18 -16.686 5.060 0.195 123 HG2 LYS 18 2HG LYS 18 -18.288 3.374 -0.549 124 HG3 LYS 18 1HG LYS 18 -18.233 2.616 1.047 125 HD2 LYS 18 2HD LYS 18 -19.017 4.719 2.047 126 HD3 LYS 18 1HD LYS 18 -19.120 5.436 0.439 127 HE2 LYS 18 2HE LYS 18 -20.778 3.737 -0.190 128 HE3 LYS 18 1HE LYS 18 -20.669 3.052 1.432 129 HZ1 LYS 18 3HZ LYS 18 -21.457 5.147 2.333 130 HZ2 LYS 18 1HZ LYS 18 -22.571 4.546 1.214 131 HZ3 LYS 18 2HZ LYS 18 -21.550 5.808 0.789 132 H GLY 19 H GLY 19 -14.105 2.613 2.263 133 HA2 GLY 19 2HA GLY 19 -15.373 0.481 3.397 134 HA3 GLY 19 1HA GLY 19 -14.371 -0.180 2.102 135 H ASP 20 H ASP 20 -13.055 -1.230 3.662 136 HA ASP 20 HA ASP 20 -11.156 0.607 4.925 137 HB2 ASP 20 2HB ASP 20 -12.778 -0.104 6.639 138 HB3 ASP 20 1HB ASP 20 -12.450 -1.781 6.249 139 H LEU 21 H LEU 21 -9.046 -0.208 5.103 140 HA LEU 21 HA LEU 21 -8.381 -2.105 3.071 141 HB2 LEU 21 2HB LEU 21 -6.656 -0.576 4.960 142 HB3 LEU 21 1HB LEU 21 -6.095 -1.581 3.635 143 HG LEU 21 HG LEU 21 -7.805 0.875 3.333 144 HD11 LEU 21 1HD1 LEU 21 -5.844 1.802 2.367 145 HD12 LEU 21 2HD1 LEU 21 -5.081 0.217 2.513 146 HD13 LEU 21 3HD1 LEU 21 -5.453 1.148 3.988 147 HD21 LEU 21 3HD2 LEU 21 -8.320 -0.759 1.653 148 HD22 LEU 21 1HD2 LEU 21 -6.598 -0.988 1.313 149 HD23 LEU 21 2HD2 LEU 21 -7.376 0.555 0.963 150 H PHE 22 H PHE 22 -8.913 -2.340 6.441 151 HA PHE 22 HA PHE 22 -7.357 -4.775 6.601 152 HB2 PHE 22 2HB PHE 22 -9.142 -3.424 8.660 153 HB3 PHE 22 1HB PHE 22 -8.238 -4.904 8.952 154 HD1 PHE 22 1HD PHE 22 -5.648 -4.649 8.298 155 HD2 PHE 22 2HD PHE 22 -8.193 -1.423 9.520 156 HE1 PHE 22 1HE PHE 22 -3.701 -3.343 9.038 157 HE2 PHE 22 2HE PHE 22 -6.239 -0.166 10.229 158 HZ PHE 22 HZ PHE 22 -4.002 -1.116 9.991 159 H ALA 23 H ALA 23 -10.423 -3.687 5.759 160 HA ALA 23 HA ALA 23 -11.729 -6.255 6.177 161 HB1 ALA 23 1HB ALA 23 -12.942 -4.222 6.744 162 HB2 ALA 23 2HB ALA 23 -13.743 -5.098 5.442 163 HB3 ALA 23 3HB ALA 23 -12.790 -3.662 5.077 164 H CYS 24 H CYS 24 -9.950 -4.721 3.698 165 HA CYS 24 HA CYS 24 -11.446 -5.870 1.576 166 HB2 CYS 24 2HB CYS 24 -9.589 -5.113 0.072 167 HB3 CYS 24 1HB CYS 24 -10.239 -3.824 1.069 168 HG CYS 24 HG CYS 24 -7.340 -3.821 0.580 169 HA PRO 25 HA PRO 25 -10.037 -9.991 1.453 170 HB2 PRO 25 2HB PRO 25 -9.576 -9.599 -1.459 171 HB3 PRO 25 1HB PRO 25 -10.548 -10.837 -0.638 172 HG2 PRO 25 2HG PRO 25 -11.751 -8.841 -1.873 173 HG3 PRO 25 1HG PRO 25 -12.320 -9.354 -0.274 174 HD2 PRO 25 2HD PRO 25 -10.620 -7.004 -1.008 175 HD3 PRO 25 1HD PRO 25 -11.981 -7.107 0.132 176 H LYS 26 H LYS 26 -8.235 -11.296 1.274 177 HA LYS 26 HA LYS 26 -5.757 -9.916 1.422 178 HB2 LYS 26 2HB LYS 26 -6.469 -12.804 1.804 179 HB3 LYS 26 1HB LYS 26 -4.799 -12.270 1.760 180 HG2 LYS 26 2HG LYS 26 -5.412 -12.405 4.024 181 HG3 LYS 26 1HG LYS 26 -5.327 -10.703 3.538 182 HD2 LYS 26 2HD LYS 26 -7.240 -11.048 5.022 183 HD3 LYS 26 1HD LYS 26 -7.782 -10.633 3.397 184 HE2 LYS 26 2HE LYS 26 -8.288 -12.965 2.941 185 HE3 LYS 26 1HE LYS 26 -7.634 -13.437 4.509 186 HZ1 LYS 26 3HZ LYS 26 -9.400 -12.126 5.569 187 HZ2 LYS 26 1HZ LYS 26 -10.033 -13.317 4.573 188 HZ3 LYS 26 2HZ LYS 26 -10.029 -11.726 4.072 189 H THR 27 H THR 27 -7.407 -11.299 -0.975 190 HA THR 27 HA THR 27 -5.181 -12.049 -2.649 191 HB THR 27 HB THR 27 -7.448 -12.936 -2.855 192 HG1 THR 27 1HG THR 27 -6.139 -11.761 -5.100 193 HG21 THR 27 3HG2 THR 27 -8.022 -10.269 -4.066 194 HG22 THR 27 1HG2 THR 27 -8.727 -10.981 -2.610 195 HG23 THR 27 2HG2 THR 27 -9.123 -11.660 -4.199 196 H ASP 28 H ASP 28 -6.683 -9.212 -1.821 197 HA ASP 28 HA ASP 28 -5.380 -7.620 -3.940 198 HB2 ASP 28 2HB ASP 28 -7.366 -6.763 -1.800 199 HB3 ASP 28 1HB ASP 28 -6.670 -5.704 -3.014 200 H SER 29 H SER 29 -3.358 -6.910 -3.464 201 HA SER 29 HA SER 29 -2.503 -7.129 -0.755 202 HB2 SER 29 2HB SER 29 -1.033 -6.258 -3.250 203 HB3 SER 29 1HB SER 29 -0.266 -6.407 -1.657 204 HG SER 29 HG SER 29 -1.576 -8.428 -3.142 205 H LEU 30 H LEU 30 -1.031 -5.159 0.086 206 HA LEU 30 HA LEU 30 -2.901 -2.896 -0.133 207 HB2 LEU 30 2HB LEU 30 -2.920 -4.627 1.950 208 HB3 LEU 30 1HB LEU 30 -1.609 -3.607 2.433 209 HG LEU 30 HG LEU 30 -4.397 -2.642 1.890 210 HD11 LEU 30 1HD1 LEU 30 -4.379 -4.125 3.744 211 HD12 LEU 30 2HD1 LEU 30 -4.535 -2.470 4.331 212 HD13 LEU 30 3HD1 LEU 30 -2.979 -3.307 4.435 213 HD21 LEU 30 3HD2 LEU 30 -1.958 -1.344 3.042 214 HD22 LEU 30 1HD2 LEU 30 -3.555 -0.641 3.189 215 HD23 LEU 30 2HD2 LEU 30 -2.826 -0.876 1.586 216 H ALA 31 H ALA 31 -1.908 -0.932 -0.059 217 HA ALA 31 HA ALA 31 1.004 -0.861 0.368 218 HB1 ALA 31 1HB ALA 31 -0.406 0.414 -1.982 219 HB2 ALA 31 2HB ALA 31 0.592 -1.041 -2.035 220 HB3 ALA 31 3HB ALA 31 1.320 0.513 -1.625 221 H HIS 32 H HIS 32 1.888 1.279 0.893 222 HA HIS 32 HA HIS 32 0.004 3.418 1.681 223 HB2 HIS 32 2HB HIS 32 2.077 2.414 3.620 224 HB3 HIS 32 1HB HIS 32 0.733 3.528 3.865 225 HD1 HIS 32 1HD HIS 32 1.662 -0.039 3.878 226 HD2 HIS 32 2HD HIS 32 -1.719 2.304 4.283 227 HE1 HIS 32 1HE HIS 32 -0.051 -1.536 4.895 228 HE2 HIS 32 2HE HIS 32 -2.151 -0.162 4.899 229 H CYS 33 H CYS 33 1.234 5.449 1.911 230 HA CYS 33 HA CYS 33 4.013 5.225 1.062 231 HB2 CYS 33 2HB CYS 33 3.801 7.696 0.742 232 HB3 CYS 33 1HB CYS 33 2.651 6.780 -0.229 233 HG CYS 33 HG CYS 33 1.771 8.017 2.787 234 H ILE 34 H ILE 34 5.639 5.715 2.476 235 HA ILE 34 HA ILE 34 5.036 7.011 5.002 236 HB ILE 34 HB ILE 34 6.164 5.312 6.396 237 HG12 ILE 34 2HG1 ILE 34 6.283 3.569 3.947 238 HG13 ILE 34 1HG1 ILE 34 7.639 4.505 4.555 239 HG21 ILE 34 1HG2 ILE 34 3.795 5.119 6.226 240 HG22 ILE 34 2HG2 ILE 34 4.557 3.535 6.384 241 HG23 ILE 34 3HG2 ILE 34 3.957 4.080 4.813 242 HD11 ILE 34 3HD1 ILE 34 6.206 2.342 6.088 243 HD12 ILE 34 1HD1 ILE 34 7.577 3.291 6.655 244 HD13 ILE 34 2HD1 ILE 34 7.773 2.185 5.295 245 H SER 35 H SER 35 7.154 7.298 6.235 246 HA SER 35 HA SER 35 9.124 8.237 4.360 247 HB2 SER 35 2HB SER 35 10.039 9.286 6.471 248 HB3 SER 35 1HB SER 35 8.427 9.813 5.984 249 HG SER 35 HG SER 35 7.859 9.269 7.849 250 H GLU 36 H GLU 36 11.443 7.791 4.785 251 HA GLU 36 HA GLU 36 11.855 5.023 5.236 252 HB2 GLU 36 2HB GLU 36 14.339 5.588 5.026 253 HB3 GLU 36 1HB GLU 36 13.330 5.852 3.610 254 HG2 GLU 36 2HG GLU 36 13.357 8.103 3.946 255 HG3 GLU 36 1HG GLU 36 14.082 7.978 5.576 256 H ASP 37 H ASP 37 12.121 7.712 7.328 257 HA ASP 37 HA ASP 37 13.542 6.158 9.339 258 HB2 ASP 37 2HB ASP 37 12.267 8.876 9.387 259 HB3 ASP 37 1HB ASP 37 12.868 8.116 10.859 260 H CYS 38 H CYS 38 10.464 6.124 8.207 261 HA CYS 38 HA CYS 38 8.484 5.279 8.940 262 HB2 CYS 38 2HB CYS 38 10.279 3.953 10.987 263 HB3 CYS 38 1HB CYS 38 8.587 3.541 10.776 264 HG CYS 38 HG CYS 38 10.377 1.670 9.729 265 H ARG 39 H ARG 39 9.500 7.816 10.008 266 HA ARG 39 HA ARG 39 8.882 8.226 12.703 267 HB2 ARG 39 2HB ARG 39 8.571 10.160 10.410 268 HB3 ARG 39 1HB ARG 39 8.480 10.616 12.105 269 HG2 ARG 39 2HG ARG 39 10.861 9.459 10.687 270 HG3 ARG 39 1HG ARG 39 10.645 11.156 11.129 271 HD2 ARG 39 2HD ARG 39 10.581 10.504 13.498 272 HD3 ARG 39 1HD ARG 39 10.807 8.820 13.034 273 HE ARG 39 HE ARG 39 12.845 10.633 12.100 274 HH11 ARG 39 1HH1 ARG 39 11.835 8.467 14.694 275 HH12 ARG 39 2HH1 ARG 39 13.413 8.180 15.258 276 HH21 ARG 39 1HH2 ARG 39 14.989 10.263 12.874 277 HH22 ARG 39 2HH2 ARG 39 15.271 9.223 14.191 278 H MET 40 H MET 40 6.814 8.544 9.893 279 HA MET 40 HA MET 40 4.577 8.498 9.553 280 HB2 MET 40 2HB MET 40 4.613 6.688 12.002 281 HB3 MET 40 1HB MET 40 3.262 6.835 10.874 282 HG2 MET 40 2HG MET 40 4.663 5.932 9.175 283 HG3 MET 40 1HG MET 40 6.006 5.865 10.320 284 HE1 MET 40 3HE MET 40 5.099 3.415 8.788 285 HE2 MET 40 1HE MET 40 5.173 2.168 10.073 286 HE3 MET 40 2HE MET 40 6.366 3.499 10.009 287 H GLY 41 H GLY 41 4.153 8.251 13.021 288 HA2 GLY 41 2HA GLY 41 3.243 9.575 14.610 289 HA3 GLY 41 1HA GLY 41 3.568 10.952 13.577 290 H ALA 42 H ALA 42 1.875 9.721 11.419 291 HA ALA 42 HA ALA 42 -0.767 9.585 12.573 292 HB1 ALA 42 1HB ALA 42 -0.036 11.741 10.582 293 HB2 ALA 42 2HB ALA 42 -0.423 12.009 12.282 294 HB3 ALA 42 3HB ALA 42 -1.654 11.385 11.182 295 H GLY 43 H GLY 43 -2.388 9.251 10.795 296 HA2 GLY 43 2HA GLY 43 -2.921 8.541 8.635 297 HA3 GLY 43 1HA GLY 43 -1.230 8.140 8.371 298 H ILE 44 H ILE 44 -2.780 6.371 7.499 299 HA ILE 44 HA ILE 44 -3.775 4.406 9.264 300 HB ILE 44 HB ILE 44 -4.533 4.663 6.946 301 HG12 ILE 44 2HG1 ILE 44 -3.269 1.954 7.331 302 HG13 ILE 44 1HG1 ILE 44 -4.743 2.450 8.167 303 HG21 ILE 44 1HG2 ILE 44 -1.801 3.617 6.223 304 HG22 ILE 44 2HG2 ILE 44 -2.426 5.228 5.882 305 HG23 ILE 44 3HG2 ILE 44 -3.130 3.815 5.087 306 HD11 ILE 44 3HD1 ILE 44 -5.222 1.081 6.275 307 HD12 ILE 44 1HD1 ILE 44 -4.301 2.194 5.234 308 HD13 ILE 44 2HD1 ILE 44 -5.793 2.738 6.004 309 H ALA 45 H ALA 45 -0.595 5.162 8.288 310 HA ALA 45 HA ALA 45 0.606 2.613 8.418 311 HB1 ALA 45 1HB ALA 45 1.751 4.557 7.429 312 HB2 ALA 45 2HB ALA 45 2.713 3.795 8.696 313 HB3 ALA 45 3HB ALA 45 1.846 5.291 9.035 314 H VAL 46 H VAL 46 -0.327 4.927 10.837 315 HA VAL 46 HA VAL 46 1.068 3.818 13.011 316 HB VAL 46 HB VAL 46 -1.498 5.477 12.968 317 HG11 VAL 46 1HG1 VAL 46 0.297 4.814 15.306 318 HG12 VAL 46 2HG1 VAL 46 -1.334 4.194 15.064 319 HG13 VAL 46 3HG1 VAL 46 -1.078 5.920 15.335 320 HG21 VAL 46 3HG2 VAL 46 -0.019 7.308 13.584 321 HG22 VAL 46 1HG2 VAL 46 0.467 6.587 12.052 322 HG23 VAL 46 2HG2 VAL 46 1.367 6.221 13.521 323 H LEU 47 H LEU 47 -2.040 3.104 11.576 324 HA LEU 47 HA LEU 47 -2.949 1.224 13.475 325 HB2 LEU 47 2HB LEU 47 -3.565 1.615 10.553 326 HB3 LEU 47 1HB LEU 47 -4.364 0.406 11.542 327 HG LEU 47 HG LEU 47 -4.441 3.353 12.218 328 HD11 LEU 47 1HD1 LEU 47 -5.484 2.960 10.003 329 HD12 LEU 47 2HD1 LEU 47 -6.667 3.377 11.240 330 HD13 LEU 47 3HD1 LEU 47 -6.498 1.705 10.728 331 HD21 LEU 47 3HD2 LEU 47 -6.151 1.020 13.005 332 HD22 LEU 47 1HD2 LEU 47 -6.325 2.667 13.590 333 HD23 LEU 47 2HD2 LEU 47 -4.903 1.716 14.046 334 H PHE 48 H PHE 48 -0.801 0.960 10.729 335 HA PHE 48 HA PHE 48 -0.734 -1.886 10.939 336 HB2 PHE 48 2HB PHE 48 0.802 0.031 9.211 337 HB3 PHE 48 1HB PHE 48 1.216 -1.683 9.274 338 HD1 PHE 48 2HD PHE 48 -1.739 0.531 8.790 339 HD2 PHE 48 1HD PHE 48 0.172 -3.141 7.818 340 HE1 PHE 48 2HE PHE 48 -3.541 0.003 7.215 341 HE2 PHE 48 1HE PHE 48 -1.664 -3.658 6.224 342 HZ PHE 48 HZ PHE 48 -3.501 -2.069 5.958 343 H LYS 49 H LYS 49 1.193 0.720 12.198 344 HA LYS 49 HA LYS 49 3.310 -0.814 13.259 345 HB2 LYS 49 2HB LYS 49 1.895 1.474 14.577 346 HB3 LYS 49 1HB LYS 49 3.443 0.812 15.067 347 HG2 LYS 49 2HG LYS 49 4.211 1.449 12.703 348 HG3 LYS 49 1HG LYS 49 2.751 2.446 12.671 349 HD2 LYS 49 2HD LYS 49 4.849 2.466 14.753 350 HD3 LYS 49 1HD LYS 49 4.718 3.694 13.481 351 HE2 LYS 49 2HE LYS 49 2.564 4.421 14.385 352 HE3 LYS 49 1HE LYS 49 2.578 3.114 15.567 353 HZ1 LYS 49 3HZ LYS 49 3.214 5.257 16.536 354 HZ2 LYS 49 1HZ LYS 49 4.529 5.350 15.487 355 HZ3 LYS 49 2HZ LYS 49 4.460 4.128 16.629 356 H LYS 50 H LYS 50 0.099 -0.136 14.364 357 HA LYS 50 HA LYS 50 0.323 -1.320 16.850 358 HB2 LYS 50 2HB LYS 50 -1.963 -0.418 15.222 359 HB3 LYS 50 1HB LYS 50 -2.177 -1.151 16.817 360 HG2 LYS 50 2HG LYS 50 -0.893 0.494 17.869 361 HG3 LYS 50 1HG LYS 50 -0.277 1.098 16.331 362 HD2 LYS 50 2HD LYS 50 -1.903 2.532 17.305 363 HD3 LYS 50 1HD LYS 50 -2.371 1.830 15.728 364 HE2 LYS 50 2HE LYS 50 -3.885 0.338 16.734 365 HE3 LYS 50 1HE LYS 50 -3.334 0.723 18.378 366 HZ1 LYS 50 3HZ LYS 50 -4.314 2.940 18.045 367 HZ2 LYS 50 1HZ LYS 50 -5.461 1.720 17.837 368 HZ3 LYS 50 2HZ LYS 50 -4.808 2.508 16.510 369 H LYS 51 H LYS 51 -1.327 -2.442 13.840 370 HA LYS 51 HA LYS 51 -2.059 -4.908 15.064 371 HB2 LYS 51 2HB LYS 51 -2.348 -3.928 12.264 372 HB3 LYS 51 1HB LYS 51 -2.957 -5.470 12.844 373 HG2 LYS 51 2HG LYS 51 -4.364 -4.248 14.457 374 HG3 LYS 51 1HG LYS 51 -3.797 -2.725 13.749 375 HD2 LYS 51 2HD LYS 51 -4.545 -3.504 11.579 376 HD3 LYS 51 1HD LYS 51 -5.212 -4.946 12.332 377 HE2 LYS 51 2HE LYS 51 -6.078 -2.098 12.896 378 HE3 LYS 51 1HE LYS 51 -6.960 -3.248 11.903 379 HZ1 LYS 51 3HZ LYS 51 -7.224 -4.651 13.880 380 HZ2 LYS 51 1HZ LYS 51 -7.882 -3.112 14.111 381 HZ3 LYS 51 2HZ LYS 51 -6.412 -3.487 14.799 382 H PHE 52 H PHE 52 0.365 -3.964 12.615 383 HA PHE 52 HA PHE 52 1.007 -6.788 12.271 384 HB2 PHE 52 2HB PHE 52 1.819 -4.337 10.716 385 HB3 PHE 52 1HB PHE 52 2.515 -5.921 10.422 386 HD1 PHE 52 1HD PHE 52 -0.929 -4.557 10.920 387 HD2 PHE 52 2HD PHE 52 1.665 -6.936 8.560 388 HE1 PHE 52 1HE PHE 52 -2.786 -5.063 9.421 389 HE2 PHE 52 2HE PHE 52 -0.186 -7.458 7.038 390 HZ PHE 52 HZ PHE 52 -2.428 -6.525 7.457 391 H GLY 53 H GLY 53 2.304 -3.898 13.694 392 HA2 GLY 53 2HA GLY 53 4.182 -3.487 14.948 393 HA3 GLY 53 1HA GLY 53 4.238 -5.216 15.235 394 H GLY 54 H GLY 54 4.458 -4.313 11.945 395 HA2 GLY 54 2HA GLY 54 7.174 -5.360 11.865 396 HA3 GLY 54 1HA GLY 54 6.136 -5.055 10.487 397 H VAL 55 H VAL 55 7.089 -2.835 13.057 398 HA VAL 55 HA VAL 55 7.685 -0.773 11.177 399 HB VAL 55 HB VAL 55 8.379 -0.915 14.125 400 HG11 VAL 55 1HG1 VAL 55 8.408 1.534 14.017 401 HG12 VAL 55 2HG1 VAL 55 8.112 1.446 12.277 402 HG13 VAL 55 3HG1 VAL 55 9.615 0.806 12.949 403 HG21 VAL 55 3HG2 VAL 55 6.302 0.363 14.486 404 HG22 VAL 55 1HG2 VAL 55 5.991 -1.233 13.802 405 HG23 VAL 55 2HG2 VAL 55 5.928 0.197 12.773 406 H GLN 56 H GLN 56 9.587 -2.913 13.275 407 HA GLN 56 HA GLN 56 12.126 -1.929 12.563 408 HB2 GLN 56 2HB GLN 56 11.268 -4.595 13.684 409 HB3 GLN 56 1HB GLN 56 12.914 -4.016 13.562 410 HG2 GLN 56 2HG GLN 56 12.171 -3.778 15.834 411 HG3 GLN 56 1HG GLN 56 12.343 -2.176 15.128 412 HE21 GLN 56 1HE2 GLN 56 10.920 -1.200 16.581 413 HE22 GLN 56 2HE2 GLN 56 9.225 -1.531 16.565 414 H GLU 57 H GLU 57 10.057 -4.392 11.238 415 HA GLU 57 HA GLU 57 12.031 -5.509 9.565 416 HB2 GLU 57 2HB GLU 57 9.048 -5.442 9.119 417 HB3 GLU 57 1HB GLU 57 10.183 -6.506 8.300 418 HG2 GLU 57 2HG GLU 57 10.761 -7.478 10.521 419 HG3 GLU 57 1HG GLU 57 9.473 -6.504 11.221 420 H LEU 58 H LEU 58 10.033 -2.726 9.274 421 HA LEU 58 HA LEU 58 10.539 -2.256 6.500 422 HB2 LEU 58 2HB LEU 58 9.699 -0.332 8.661 423 HB3 LEU 58 1HB LEU 58 9.680 0.004 6.942 424 HG LEU 58 HG LEU 58 7.996 -2.051 8.360 425 HD11 LEU 58 1HD1 LEU 58 7.298 0.219 8.852 426 HD12 LEU 58 2HD1 LEU 58 6.132 -0.579 7.795 427 HD13 LEU 58 3HD1 LEU 58 7.270 0.596 7.130 428 HD21 LEU 58 3HD2 LEU 58 8.046 -1.207 5.467 429 HD22 LEU 58 1HD2 LEU 58 6.860 -2.281 6.204 430 HD23 LEU 58 2HD2 LEU 58 8.548 -2.773 6.111 431 H LEU 59 H LEU 59 12.019 -1.231 9.513 432 HA LEU 59 HA LEU 59 13.899 0.492 8.205 433 HB2 LEU 59 2HB LEU 59 13.742 -0.509 11.039 434 HB3 LEU 59 1HB LEU 59 14.992 0.580 10.474 435 HG LEU 59 HG LEU 59 12.026 1.207 10.512 436 HD11 LEU 59 1HD1 LEU 59 12.946 1.121 12.764 437 HD12 LEU 59 2HD1 LEU 59 12.633 2.789 12.259 438 HD13 LEU 59 3HD1 LEU 59 14.276 2.170 12.258 439 HD21 LEU 59 3HD2 LEU 59 14.420 2.908 9.832 440 HD22 LEU 59 1HD2 LEU 59 12.764 3.480 9.982 441 HD23 LEU 59 2HD2 LEU 59 13.188 2.353 8.701 442 H ASN 60 H ASN 60 14.066 -2.730 9.649 443 HA ASN 60 HA ASN 60 16.808 -3.155 9.261 444 HB2 ASN 60 2HB ASN 60 14.556 -5.156 9.417 445 HB3 ASN 60 1HB ASN 60 16.260 -5.600 9.432 446 HD21 ASN 60 1HD2 ASN 60 14.171 -5.938 11.437 447 HD22 ASN 60 2HD2 ASN 60 14.759 -5.190 12.886 448 H GLN 61 H GLN 61 14.165 -3.563 6.983 449 HA GLN 61 HA GLN 61 15.723 -4.884 4.988 450 HB2 GLN 61 2HB GLN 61 13.163 -3.325 4.830 451 HB3 GLN 61 1HB GLN 61 13.946 -3.957 3.392 452 HG2 GLN 61 2HG GLN 61 13.737 -6.215 4.260 453 HG3 GLN 61 1HG GLN 61 12.987 -5.587 5.729 454 HE21 GLN 61 1HE2 GLN 61 10.917 -4.866 5.656 455 HE22 GLN 61 2HE2 GLN 61 9.842 -5.203 4.334 456 H GLN 62 H GLN 62 15.651 -1.711 6.103 457 HA GLN 62 HA GLN 62 16.410 0.192 5.510 458 HB2 GLN 62 2HB GLN 62 18.504 -1.479 4.174 459 HB3 GLN 62 1HB GLN 62 18.579 0.274 4.365 460 HG2 GLN 62 2HG GLN 62 18.393 0.070 6.728 461 HG3 GLN 62 1HG GLN 62 18.291 -1.679 6.604 462 HE21 GLN 62 1HE2 GLN 62 20.122 -1.964 7.866 463 HE22 GLN 62 2HE2 GLN 62 21.715 -1.628 7.282 464 H LYS 63 H LYS 63 14.707 0.862 4.514 465 HA LYS 63 HA LYS 63 14.906 1.037 1.641 466 HB2 LYS 63 2HB LYS 63 12.511 1.945 1.932 467 HB3 LYS 63 1HB LYS 63 12.798 0.224 2.054 468 HG2 LYS 63 2HG LYS 63 11.239 1.145 3.719 469 HG3 LYS 63 1HG LYS 63 12.620 0.255 4.400 470 HD2 LYS 63 2HD LYS 63 13.709 2.346 4.878 471 HD3 LYS 63 1HD LYS 63 12.391 3.236 4.149 472 HE2 LYS 63 2HE LYS 63 12.209 1.455 6.609 473 HE3 LYS 63 1HE LYS 63 12.350 3.206 6.667 474 HZ1 LYS 63 3HZ LYS 63 10.084 1.700 5.478 475 HZ2 LYS 63 1HZ LYS 63 10.234 3.398 5.586 476 HZ3 LYS 63 2HZ LYS 63 10.110 2.479 6.986 477 H LYS 64 H LYS 64 14.483 2.958 0.684 478 HA LYS 64 HA LYS 64 15.112 5.343 2.264 479 HB2 LYS 64 2HB LYS 64 16.530 4.548 -0.285 480 HB3 LYS 64 1HB LYS 64 16.706 6.103 0.513 481 HG2 LYS 64 2HG LYS 64 17.478 3.426 1.652 482 HG3 LYS 64 1HG LYS 64 18.576 4.617 0.944 483 HD2 LYS 64 2HD LYS 64 18.005 6.204 2.692 484 HD3 LYS 64 1HD LYS 64 16.842 5.065 3.370 485 HE2 LYS 64 2HE LYS 64 18.633 3.494 3.839 486 HE3 LYS 64 1HE LYS 64 19.810 4.603 3.140 487 HZ1 LYS 64 3HZ LYS 64 19.281 6.200 4.864 488 HZ2 LYS 64 1HZ LYS 64 19.761 4.733 5.541 489 HZ3 LYS 64 2HZ LYS 64 18.140 5.130 5.537 490 H SER 65 H SER 65 14.769 7.310 0.889 491 HA SER 65 HA SER 65 12.178 7.264 -0.134 492 HB2 SER 65 2HB SER 65 12.709 9.554 -1.023 493 HB3 SER 65 1HB SER 65 13.080 9.323 0.682 494 HG SER 65 HG SER 65 15.121 8.810 -1.161 495 H GLY 66 H GLY 66 11.286 6.750 -2.009 496 HA2 GLY 66 2HA GLY 66 11.228 6.651 -4.354 497 HA3 GLY 66 1HA GLY 66 12.988 6.626 -4.393 498 H GLU 67 H GLU 67 12.245 4.587 -2.004 499 HA GLU 67 HA GLU 67 12.092 2.291 -3.776 500 HB2 GLU 67 2HB GLU 67 13.616 2.588 -1.186 501 HB3 GLU 67 1HB GLU 67 13.441 1.084 -2.080 502 HG2 GLU 67 2HG GLU 67 14.583 2.091 -3.993 503 HG3 GLU 67 1HG GLU 67 14.766 3.589 -3.081 504 H VAL 68 H VAL 68 11.243 0.367 -2.649 505 HA VAL 68 HA VAL 68 9.040 1.199 -0.887 506 HB VAL 68 HB VAL 68 8.328 0.728 -3.229 507 HG11 VAL 68 1HG1 VAL 68 9.911 -0.968 -3.846 508 HG12 VAL 68 2HG1 VAL 68 8.270 -1.565 -4.070 509 HG13 VAL 68 3HG1 VAL 68 9.216 -2.088 -2.678 510 HG21 VAL 68 3HG2 VAL 68 6.481 -0.709 -2.721 511 HG22 VAL 68 1HG2 VAL 68 6.756 0.449 -1.404 512 HG23 VAL 68 2HG2 VAL 68 7.256 -1.245 -1.228 513 H ALA 69 H ALA 69 8.612 -0.059 0.834 514 HA ALA 69 HA ALA 69 10.367 -2.378 1.303 515 HB1 ALA 69 1HB ALA 69 10.515 -0.643 3.007 516 HB2 ALA 69 2HB ALA 69 9.804 -2.102 3.691 517 HB3 ALA 69 3HB ALA 69 8.776 -0.725 3.283 518 H VAL 70 H VAL 70 9.434 -4.389 1.988 519 HA VAL 70 HA VAL 70 6.540 -4.538 1.463 520 HB VAL 70 HB VAL 70 8.582 -6.575 0.563 521 HG11 VAL 70 1HG1 VAL 70 5.640 -6.384 -0.009 522 HG12 VAL 70 2HG1 VAL 70 6.429 -7.562 1.043 523 HG13 VAL 70 3HG1 VAL 70 6.740 -7.578 -0.695 524 HG21 VAL 70 3HG2 VAL 70 7.087 -4.556 -1.119 525 HG22 VAL 70 1HG2 VAL 70 8.103 -5.855 -1.747 526 HG23 VAL 70 2HG2 VAL 70 8.819 -4.558 -0.789 527 H LEU 71 H LEU 71 5.432 -5.759 2.817 528 HA LEU 71 HA LEU 71 6.818 -7.622 4.654 529 HB2 LEU 71 2HB LEU 71 4.313 -6.018 5.256 530 HB3 LEU 71 1HB LEU 71 5.069 -7.162 6.316 531 HG LEU 71 HG LEU 71 6.261 -4.518 5.482 532 HD11 LEU 71 1HD1 LEU 71 5.929 -3.892 7.814 533 HD12 LEU 71 2HD1 LEU 71 5.170 -5.450 8.128 534 HD13 LEU 71 3HD1 LEU 71 4.395 -4.300 7.045 535 HD21 LEU 71 3HD2 LEU 71 7.997 -6.201 5.816 536 HD22 LEU 71 1HD2 LEU 71 7.306 -6.612 7.388 537 HD23 LEU 71 2HD2 LEU 71 8.011 -5.018 7.121 538 H LYS 72 H LYS 72 5.812 -9.652 4.786 539 HA LYS 72 HA LYS 72 3.451 -9.906 3.072 540 HB2 LYS 72 2HB LYS 72 5.394 -11.160 2.272 541 HB3 LYS 72 1HB LYS 72 5.459 -12.036 3.804 542 HG2 LYS 72 2HG LYS 72 3.266 -13.004 3.333 543 HG3 LYS 72 1HG LYS 72 3.194 -12.103 1.819 544 HD2 LYS 72 2HD LYS 72 5.228 -13.282 1.064 545 HD3 LYS 72 1HD LYS 72 5.202 -14.227 2.553 546 HE2 LYS 72 2HE LYS 72 3.025 -15.135 1.957 547 HE3 LYS 72 1HE LYS 72 2.999 -14.143 0.500 548 HZ1 LYS 72 3HZ LYS 72 4.958 -15.333 -0.280 549 HZ2 LYS 72 1HZ LYS 72 3.674 -16.382 -0.007 550 HZ3 LYS 72 2HZ LYS 72 4.937 -16.303 1.101 551 H ARG 73 H ARG 73 1.680 -10.731 3.895 552 HA ARG 73 HA ARG 73 1.829 -11.370 6.764 553 HB2 ARG 73 2HB ARG 73 0.346 -9.442 6.078 554 HB3 ARG 73 1HB ARG 73 -0.684 -10.605 5.264 555 HG2 ARG 73 2HG ARG 73 -1.669 -10.118 7.389 556 HG3 ARG 73 1HG ARG 73 -1.017 -11.754 7.463 557 HD2 ARG 73 2HD ARG 73 0.343 -9.272 8.562 558 HD3 ARG 73 1HD ARG 73 -0.550 -10.437 9.523 559 HE ARG 73 HE ARG 73 1.173 -12.087 8.775 560 HH11 ARG 73 1HH1 ARG 73 1.988 -8.632 8.937 561 HH12 ARG 73 2HH1 ARG 73 3.642 -8.889 9.240 562 HH21 ARG 73 1HH2 ARG 73 3.492 -12.402 9.201 563 HH22 ARG 73 2HH2 ARG 73 4.501 -11.046 9.395 564 H ASP 74 H ASP 74 -0.424 -12.241 4.176 565 HA ASP 74 HA ASP 74 0.190 -15.055 4.640 566 HB2 ASP 74 2HB ASP 74 -2.624 -13.942 4.772 567 HB3 ASP 74 1HB ASP 74 -2.279 -15.640 4.521 568 H GLY 75 H GLY 75 -2.435 -13.540 2.857 569 HA2 GLY 75 2HA GLY 75 -1.449 -14.887 0.458 570 HA3 GLY 75 1HA GLY 75 -3.047 -14.187 0.672 571 H ARG 76 H ARG 76 -1.392 -11.809 1.858 572 HA ARG 76 HA ARG 76 -0.776 -10.688 -0.757 573 HB2 ARG 76 2HB ARG 76 -1.643 -8.572 -0.018 574 HB3 ARG 76 1HB ARG 76 -2.890 -9.806 -0.207 575 HG2 ARG 76 2HG ARG 76 -2.932 -10.051 2.259 576 HG3 ARG 76 1HG ARG 76 -1.715 -8.772 2.385 577 HD2 ARG 76 2HD ARG 76 -3.190 -7.227 1.268 578 HD3 ARG 76 1HD ARG 76 -4.398 -8.484 1.067 579 HE ARG 76 HE ARG 76 -3.841 -8.195 3.788 580 HH11 ARG 76 1HH1 ARG 76 -5.361 -6.483 1.082 581 HH12 ARG 76 2HH1 ARG 76 -6.369 -5.515 2.049 582 HH21 ARG 76 1HH2 ARG 76 -5.263 -6.833 5.156 583 HH22 ARG 76 2HH2 ARG 76 -6.282 -5.686 4.410 584 H TYR 77 H TYR 77 0.410 -8.727 -0.716 585 HA TYR 77 HA TYR 77 2.473 -8.739 1.346 586 HB2 TYR 77 2HB TYR 77 2.556 -7.826 -1.545 587 HB3 TYR 77 1HB TYR 77 3.881 -7.659 -0.397 588 HD1 TYR 77 2HD TYR 77 1.914 -10.059 -2.392 589 HD2 TYR 77 1HD TYR 77 5.226 -9.536 0.220 590 HE1 TYR 77 2HE TYR 77 2.708 -12.317 -2.958 591 HE2 TYR 77 1HE TYR 77 6.027 -11.779 -0.333 592 HH TYR 77 HH TYR 77 4.770 -13.600 -2.927 593 H ILE 78 H ILE 78 3.024 -6.825 2.261 594 HA ILE 78 HA ILE 78 1.099 -4.638 1.929 595 HB ILE 78 HB ILE 78 3.091 -4.976 4.176 596 HG12 ILE 78 2HG1 ILE 78 1.714 -7.029 4.141 597 HG13 ILE 78 1HG1 ILE 78 1.352 -6.039 5.546 598 HG21 ILE 78 1HG2 ILE 78 0.470 -3.526 3.961 599 HG22 ILE 78 2HG2 ILE 78 2.080 -2.794 3.946 600 HG23 ILE 78 3HG2 ILE 78 1.481 -3.592 5.405 601 HD11 ILE 78 3HD1 ILE 78 -0.654 -5.231 4.432 602 HD12 ILE 78 1HD1 ILE 78 -0.634 -6.993 4.592 603 HD13 ILE 78 2HD1 ILE 78 -0.269 -6.238 3.030 604 H TYR 79 H TYR 79 1.882 -2.909 0.915 605 HA TYR 79 HA TYR 79 4.770 -2.656 0.555 606 HB2 TYR 79 2HB TYR 79 2.493 -1.501 -1.030 607 HB3 TYR 79 1HB TYR 79 4.188 -1.117 -1.308 608 HD1 TYR 79 1HD TYR 79 1.620 -3.722 -1.521 609 HD2 TYR 79 2HD TYR 79 5.651 -2.675 -2.314 610 HE1 TYR 79 1HE TYR 79 1.832 -5.686 -2.930 611 HE2 TYR 79 2HE TYR 79 5.902 -4.630 -3.718 612 HH TYR 79 HH TYR 79 3.252 -6.559 -4.705 613 H TYR 80 H TYR 80 5.835 -0.894 0.940 614 HA TYR 80 HA TYR 80 4.454 1.397 2.076 615 HB2 TYR 80 2HB TYR 80 6.898 0.030 3.176 616 HB3 TYR 80 1HB TYR 80 6.379 1.630 3.678 617 HD1 TYR 80 2HD TYR 80 5.652 -1.950 3.809 618 HD2 TYR 80 1HD TYR 80 4.428 1.912 5.083 619 HE1 TYR 80 2HE TYR 80 4.178 -2.974 5.464 620 HE2 TYR 80 1HE TYR 80 2.940 0.892 6.756 621 HH TYR 80 HH TYR 80 3.128 -2.365 7.593 622 H LEU 81 H LEU 81 4.674 2.691 0.410 623 HA LEU 81 HA LEU 81 7.006 2.949 -1.228 624 HB2 LEU 81 2HB LEU 81 4.547 4.677 -0.867 625 HB3 LEU 81 1HB LEU 81 5.739 4.886 -2.115 626 HG LEU 81 HG LEU 81 3.856 3.938 -3.099 627 HD11 LEU 81 1HD1 LEU 81 4.604 1.803 -3.953 628 HD12 LEU 81 2HD1 LEU 81 5.868 1.772 -2.723 629 HD13 LEU 81 3HD1 LEU 81 5.864 3.029 -3.957 630 HD21 LEU 81 3HD2 LEU 81 2.804 1.830 -2.441 631 HD22 LEU 81 1HD2 LEU 81 2.678 3.057 -1.175 632 HD23 LEU 81 2HD2 LEU 81 3.857 1.753 -1.029 633 H ILE 82 H ILE 82 8.781 4.020 -0.524 634 HA ILE 82 HA ILE 82 8.497 5.921 1.694 635 HB ILE 82 HB ILE 82 11.003 5.246 0.166 636 HG12 ILE 82 2HG1 ILE 82 10.124 3.150 1.161 637 HG13 ILE 82 1HG1 ILE 82 11.605 3.701 1.930 638 HG21 ILE 82 1HG2 ILE 82 12.109 6.124 2.119 639 HG22 ILE 82 2HG2 ILE 82 10.557 6.373 2.928 640 HG23 ILE 82 3HG2 ILE 82 10.974 7.310 1.491 641 HD11 ILE 82 3HD1 ILE 82 10.244 4.605 3.784 642 HD12 ILE 82 1HD1 ILE 82 10.210 2.885 3.583 643 HD13 ILE 82 2HD1 ILE 82 8.805 3.850 3.059 644 H THR 83 H THR 83 7.799 7.797 1.189 645 HA THR 83 HA THR 83 8.377 8.953 -1.357 646 HB THR 83 HB THR 83 7.216 10.965 -0.315 647 HG1 THR 83 1HG THR 83 5.906 10.175 1.593 648 HG21 THR 83 3HG2 THR 83 6.041 9.402 -1.762 649 HG22 THR 83 1HG2 THR 83 4.996 9.946 -0.453 650 HG23 THR 83 2HG2 THR 83 5.729 8.334 -0.391 651 H LYS 84 H LYS 84 9.097 9.785 2.004 652 HA LYS 84 HA LYS 84 11.576 11.106 1.132 653 HB2 LYS 84 2HB LYS 84 9.559 12.412 2.977 654 HB3 LYS 84 1HB LYS 84 11.081 13.102 2.454 655 HG2 LYS 84 2HG LYS 84 8.720 12.517 0.654 656 HG3 LYS 84 1HG LYS 84 9.104 14.092 1.329 657 HD2 LYS 84 2HD LYS 84 10.919 12.531 -0.531 658 HD3 LYS 84 1HD LYS 84 9.793 13.773 -1.065 659 HE2 LYS 84 2HE LYS 84 10.969 15.413 0.331 660 HE3 LYS 84 1HE LYS 84 12.100 14.174 0.844 661 HZ1 LYS 84 3HZ LYS 84 12.821 13.949 -1.497 662 HZ2 LYS 84 1HZ LYS 84 13.047 15.499 -0.937 663 HZ3 LYS 84 2HZ LYS 84 11.765 15.183 -1.948 664 H LYS 85 H LYS 85 12.559 12.025 3.442 665 HA LYS 85 HA LYS 85 13.093 9.600 4.925 666 HB2 LYS 85 2HB LYS 85 14.240 12.354 5.286 667 HB3 LYS 85 1HB LYS 85 14.800 10.894 6.093 668 HG2 LYS 85 2HG LYS 85 15.281 9.913 3.878 669 HG3 LYS 85 1HG LYS 85 14.834 11.455 3.156 670 HD2 LYS 85 2HD LYS 85 16.613 12.551 4.383 671 HD3 LYS 85 1HD LYS 85 17.036 11.011 5.132 672 HE2 LYS 85 2HE LYS 85 17.062 11.606 2.200 673 HE3 LYS 85 1HE LYS 85 18.491 11.558 3.230 674 HZ1 LYS 85 3HZ LYS 85 18.200 9.451 2.002 675 HZ2 LYS 85 1HZ LYS 85 16.695 9.194 2.680 676 HZ3 LYS 85 2HZ LYS 85 18.067 9.173 3.648 677 H ARG 86 H ARG 86 12.137 12.806 6.081 678 HA ARG 86 HA ARG 86 11.352 11.529 8.605 679 HB2 ARG 86 2HB ARG 86 11.144 14.455 7.929 680 HB3 ARG 86 1HB ARG 86 11.240 13.736 9.534 681 HG2 ARG 86 2HG ARG 86 13.416 14.114 7.487 682 HG3 ARG 86 1HG ARG 86 13.266 14.888 9.053 683 HD2 ARG 86 2HD ARG 86 13.596 12.677 10.093 684 HD3 ARG 86 1HD ARG 86 13.859 12.028 8.458 685 HE ARG 86 HE ARG 86 15.479 14.305 9.094 686 HH11 ARG 86 1HH1 ARG 86 15.501 10.708 9.049 687 HH12 ARG 86 2HH1 ARG 86 17.174 10.628 9.229 688 HH21 ARG 86 1HH2 ARG 86 17.773 14.112 9.325 689 HH22 ARG 86 2HH2 ARG 86 18.505 12.580 9.369 690 H ALA 87 H ALA 87 9.139 12.189 9.525 691 HA ALA 87 HA ALA 87 7.122 11.813 7.512 692 HB1 ALA 87 1HB ALA 87 6.819 10.861 9.760 693 HB2 ALA 87 2HB ALA 87 5.518 11.979 9.369 694 HB3 ALA 87 3HB ALA 87 6.815 12.484 10.448 695 H SER 88 H SER 88 8.533 14.432 9.218 696 HA SER 88 HA SER 88 6.633 16.433 8.560 697 HB2 SER 88 2HB SER 88 9.540 16.685 9.349 698 HB3 SER 88 1HB SER 88 8.312 17.951 9.443 699 HG SER 88 HG SER 88 7.297 16.875 11.044 700 H HIS 89 H HIS 89 8.493 14.684 6.522 701 HA HIS 89 HA HIS 89 9.425 16.882 4.904 702 HB2 HIS 89 2HB HIS 89 9.814 13.930 4.692 703 HB3 HIS 89 1HB HIS 89 10.077 14.946 3.294 704 HD1 HIS 89 1HD HIS 89 12.633 14.327 3.365 705 HD2 HIS 89 2HD HIS 89 11.211 16.356 6.672 706 HE1 HIS 89 1HE HIS 89 14.649 14.951 4.624 707 HE2 HIS 89 2HE HIS 89 13.759 16.598 6.337 708 H LYS 90 H LYS 90 8.957 17.176 2.868 709 HA LYS 90 HA LYS 90 6.106 16.871 2.270 710 HB2 LYS 90 2HB LYS 90 8.205 18.682 1.066 711 HB3 LYS 90 1HB LYS 90 6.473 18.760 0.775 712 HG2 LYS 90 2HG LYS 90 6.056 19.343 3.066 713 HG3 LYS 90 1HG LYS 90 7.761 19.138 3.457 714 HD2 LYS 90 2HD LYS 90 8.307 20.985 1.925 715 HD3 LYS 90 1HD LYS 90 6.582 21.195 1.598 716 HE2 LYS 90 2HE LYS 90 6.165 21.676 3.933 717 HE3 LYS 90 1HE LYS 90 7.855 21.386 4.317 718 HZ1 LYS 90 3HZ LYS 90 6.830 23.564 2.577 719 HZ2 LYS 90 1HZ LYS 90 8.455 23.284 2.979 720 HZ3 LYS 90 2HZ LYS 90 7.359 23.712 4.179 721 HA PRO 91 HA PRO 91 7.233 13.686 -0.759 722 HB2 PRO 91 2HB PRO 91 4.478 14.199 -1.693 723 HB3 PRO 91 1HB PRO 91 5.229 12.681 -1.199 724 HG2 PRO 91 2HG PRO 91 3.437 13.907 0.336 725 HG3 PRO 91 1HG PRO 91 4.822 13.045 1.024 726 HD2 PRO 91 2HD PRO 91 4.389 15.992 0.707 727 HD3 PRO 91 1HD PRO 91 5.175 15.082 2.019 728 H THR 92 H THR 92 8.047 13.873 -2.781 729 HA THR 92 HA THR 92 7.272 16.180 -4.343 730 HB THR 92 HB THR 92 9.619 15.340 -5.387 731 HG1 THR 92 1HG THR 92 10.760 14.285 -3.983 732 HG21 THR 92 3HG2 THR 92 10.685 17.069 -4.125 733 HG22 THR 92 1HG2 THR 92 9.319 17.140 -2.999 734 HG23 THR 92 2HG2 THR 92 9.111 17.615 -4.707 735 H TYR 93 H TYR 93 7.301 15.787 -6.681 736 HA TYR 93 HA TYR 93 5.716 13.584 -7.244 737 HB2 TYR 93 2HB TYR 93 7.005 15.614 -9.037 738 HB3 TYR 93 1HB TYR 93 6.061 14.276 -9.685 739 HD1 TYR 93 2HD TYR 93 3.694 14.095 -9.216 740 HD2 TYR 93 1HD TYR 93 5.888 17.488 -7.888 741 HE1 TYR 93 2HE TYR 93 1.602 15.291 -8.860 742 HE2 TYR 93 1HE TYR 93 3.777 18.706 -7.542 743 HH TYR 93 HH TYR 93 1.451 18.625 -8.358 744 H GLU 94 H GLU 94 9.151 14.097 -8.097 745 HA GLU 94 HA GLU 94 9.404 11.606 -9.429 746 HB2 GLU 94 2HB GLU 94 11.067 13.376 -9.688 747 HB3 GLU 94 1HB GLU 94 11.473 13.259 -7.981 748 HG2 GLU 94 2HG GLU 94 12.155 10.969 -8.297 749 HG3 GLU 94 1HG GLU 94 11.794 11.109 -10.020 750 H ASN 95 H ASN 95 9.985 12.559 -6.099 751 HA ASN 95 HA ASN 95 10.966 10.135 -5.128 752 HB2 ASN 95 2HB ASN 95 9.463 12.373 -3.836 753 HB3 ASN 95 1HB ASN 95 9.911 10.938 -2.918 754 HD21 ASN 95 1HD2 ASN 95 11.830 10.824 -2.158 755 HD22 ASN 95 2HD2 ASN 95 13.171 11.871 -2.510 756 H LEU 96 H LEU 96 7.597 11.244 -5.171 757 HA LEU 96 HA LEU 96 6.552 8.831 -4.184 758 HB2 LEU 96 2HB LEU 96 5.323 10.967 -4.221 759 HB3 LEU 96 1HB LEU 96 5.260 10.896 -5.967 760 HG LEU 96 HG LEU 96 3.811 8.908 -5.839 761 HD11 LEU 96 1HD1 LEU 96 4.612 7.982 -3.727 762 HD12 LEU 96 2HD1 LEU 96 2.867 8.232 -3.685 763 HD13 LEU 96 3HD1 LEU 96 3.935 9.360 -2.858 764 HD21 LEU 96 3HD2 LEU 96 2.791 11.094 -5.969 765 HD22 LEU 96 1HD2 LEU 96 2.900 11.272 -4.214 766 HD23 LEU 96 2HD2 LEU 96 1.851 10.039 -4.902 767 H GLN 97 H GLN 97 7.014 10.007 -7.563 768 HA GLN 97 HA GLN 97 5.948 7.976 -8.993 769 HB2 GLN 97 2HB GLN 97 6.677 10.048 -9.925 770 HB3 GLN 97 1HB GLN 97 8.323 9.764 -9.393 771 HG2 GLN 97 2HG GLN 97 8.532 7.996 -10.808 772 HG3 GLN 97 1HG GLN 97 6.846 8.170 -11.416 773 HE21 GLN 97 1HE2 GLN 97 6.424 10.029 -12.705 774 HE22 GLN 97 2HE2 GLN 97 7.676 10.900 -13.498 775 H LYS 98 H LYS 98 9.217 8.299 -7.691 776 HA LYS 98 HA LYS 98 10.383 6.071 -8.759 777 HB2 LYS 98 2HB LYS 98 10.876 7.519 -6.214 778 HB3 LYS 98 1HB LYS 98 11.891 6.173 -6.685 779 HG2 LYS 98 2HG LYS 98 11.475 8.615 -8.408 780 HG3 LYS 98 1HG LYS 98 12.694 8.496 -7.152 781 HD2 LYS 98 2HD LYS 98 13.716 8.051 -9.312 782 HD3 LYS 98 1HD LYS 98 13.723 6.581 -8.359 783 HE2 LYS 98 2HE LYS 98 13.198 6.226 -10.699 784 HE3 LYS 98 1HE LYS 98 11.860 5.690 -9.721 785 HZ1 LYS 98 3HZ LYS 98 12.115 8.150 -11.355 786 HZ2 LYS 98 1HZ LYS 98 10.882 7.978 -10.217 787 HZ3 LYS 98 2HZ LYS 98 10.979 6.900 -11.511 788 H SER 99 H SER 99 8.629 6.394 -5.681 789 HA SER 99 HA SER 99 9.055 3.713 -4.882 790 HB2 SER 99 2HB SER 99 7.370 4.160 -3.146 791 HB3 SER 99 1HB SER 99 8.584 5.418 -3.235 792 HG SER 99 HG SER 99 6.748 6.356 -4.785 793 H LEU 100 H LEU 100 6.274 5.198 -6.606 794 HA LEU 100 HA LEU 100 4.656 2.879 -6.811 795 HB2 LEU 100 2HB LEU 100 5.045 5.332 -8.540 796 HB3 LEU 100 1HB LEU 100 3.950 4.061 -9.006 797 HG LEU 100 HG LEU 100 2.956 6.112 -7.965 798 HD11 LEU 100 1HD1 LEU 100 1.324 4.823 -6.599 799 HD12 LEU 100 2HD1 LEU 100 2.424 3.451 -6.652 800 HD13 LEU 100 3HD1 LEU 100 1.699 4.042 -8.143 801 HD21 LEU 100 3HD2 LEU 100 2.888 6.251 -5.515 802 HD22 LEU 100 1HD2 LEU 100 4.519 6.480 -6.152 803 HD23 LEU 100 2HD2 LEU 100 4.065 4.938 -5.425 804 H GLU 101 H GLU 101 7.361 3.951 -8.837 805 HA GLU 101 HA GLU 101 7.073 1.856 -10.709 806 HB2 GLU 101 2HB GLU 101 9.576 3.368 -9.959 807 HB3 GLU 101 1HB GLU 101 9.394 2.347 -11.381 808 HG2 GLU 101 2HG GLU 101 7.496 3.730 -11.991 809 HG3 GLU 101 1HG GLU 101 7.939 4.868 -10.740 810 H ALA 102 H ALA 102 9.014 2.232 -7.944 811 HA ALA 102 HA ALA 102 10.354 -0.255 -7.867 812 HB1 ALA 102 1HB ALA 102 10.839 1.645 -6.291 813 HB2 ALA 102 2HB ALA 102 10.664 0.080 -5.483 814 HB3 ALA 102 3HB ALA 102 9.344 1.214 -5.433 815 H MET 103 H MET 103 7.222 0.672 -6.562 816 HA MET 103 HA MET 103 6.562 -1.789 -5.439 817 HB2 MET 103 2HB MET 103 5.456 0.081 -4.611 818 HB3 MET 103 1HB MET 103 4.956 0.621 -6.208 819 HG2 MET 103 2HG MET 103 3.436 -0.913 -6.414 820 HG3 MET 103 1HG MET 103 3.951 -1.969 -5.050 821 HE1 MET 103 3HE MET 103 3.208 1.892 -5.572 822 HE2 MET 103 1HE MET 103 1.555 1.987 -4.968 823 HE3 MET 103 2HE MET 103 1.917 1.026 -6.407 824 H LYS 104 H LYS 104 5.567 -0.390 -8.606 825 HA LYS 104 HA LYS 104 4.041 -2.608 -9.296 826 HB2 LYS 104 2HB LYS 104 4.052 -1.712 -11.564 827 HB3 LYS 104 1HB LYS 104 3.709 -0.494 -10.367 828 HG2 LYS 104 2HG LYS 104 5.000 0.556 -11.893 829 HG3 LYS 104 1HG LYS 104 6.134 0.157 -10.599 830 HD2 LYS 104 2HD LYS 104 6.953 -1.729 -11.908 831 HD3 LYS 104 1HD LYS 104 5.746 -1.357 -13.156 832 HE2 LYS 104 2HE LYS 104 6.783 0.836 -13.498 833 HE3 LYS 104 1HE LYS 104 7.988 0.456 -12.273 834 HZ1 LYS 104 3HZ LYS 104 8.800 0.160 -14.506 835 HZ2 LYS 104 1HZ LYS 104 7.640 -1.012 -14.831 836 HZ3 LYS 104 2HZ LYS 104 8.837 -1.297 -13.679 837 H SER 105 H SER 105 7.470 -2.011 -9.613 838 HA SER 105 HA SER 105 8.158 -4.112 -11.323 839 HB2 SER 105 2HB SER 105 9.764 -2.373 -10.701 840 HB3 SER 105 1HB SER 105 9.702 -2.885 -9.017 841 HG SER 105 HG SER 105 11.098 -3.923 -11.140 842 H HIS 106 H HIS 106 7.964 -4.028 -7.785 843 HA HIS 106 HA HIS 106 8.609 -6.791 -7.414 844 HB2 HIS 106 2HB HIS 106 8.842 -5.137 -5.622 845 HB3 HIS 106 1HB HIS 106 7.086 -4.946 -5.581 846 HD1 HIS 106 1HD HIS 106 5.958 -6.384 -3.857 847 HD2 HIS 106 2HD HIS 106 9.416 -7.997 -5.364 848 HE1 HIS 106 1HE HIS 106 6.260 -8.395 -2.520 849 HE2 HIS 106 2HE HIS 106 8.567 -9.233 -3.128 850 H CYS 107 H CYS 107 5.605 -5.040 -7.751 851 HA CYS 107 HA CYS 107 3.899 -7.121 -7.026 852 HB2 CYS 107 2HB CYS 107 3.340 -4.666 -7.278 853 HB3 CYS 107 1HB CYS 107 3.346 -4.908 -9.017 854 HG CYS 107 HG CYS 107 1.178 -6.641 -9.030 855 H LEU 108 H LEU 108 5.473 -6.270 -10.082 856 HA LEU 108 HA LEU 108 4.206 -8.142 -11.748 857 HB2 LEU 108 2HB LEU 108 6.974 -6.980 -11.882 858 HB3 LEU 108 1HB LEU 108 6.169 -7.852 -13.167 859 HG LEU 108 HG LEU 108 5.317 -5.204 -12.035 860 HD11 LEU 108 1HD1 LEU 108 6.626 -5.939 -14.638 861 HD12 LEU 108 2HD1 LEU 108 7.365 -5.078 -13.286 862 HD13 LEU 108 3HD1 LEU 108 6.048 -4.326 -14.191 863 HD21 LEU 108 3HD2 LEU 108 3.489 -6.581 -12.785 864 HD22 LEU 108 1HD2 LEU 108 4.272 -6.804 -14.345 865 HD23 LEU 108 2HD2 LEU 108 3.715 -5.187 -13.858 866 H LYS 109 H LYS 109 7.203 -8.259 -9.784 867 HA LYS 109 HA LYS 109 7.966 -10.757 -10.924 868 HB2 LYS 109 2HB LYS 109 9.035 -9.398 -8.464 869 HB3 LYS 109 1HB LYS 109 9.804 -10.710 -9.359 870 HG2 LYS 109 2HG LYS 109 9.756 -9.258 -11.334 871 HG3 LYS 109 1HG LYS 109 9.220 -7.946 -10.310 872 HD2 LYS 109 2HD LYS 109 11.646 -7.743 -10.589 873 HD3 LYS 109 1HD LYS 109 11.272 -8.174 -8.922 874 HE2 LYS 109 2HE LYS 109 11.820 -10.504 -9.384 875 HE3 LYS 109 1HE LYS 109 12.124 -10.115 -11.076 876 HZ1 LYS 109 3HZ LYS 109 14.163 -10.283 -9.831 877 HZ2 LYS 109 1HZ LYS 109 13.656 -9.087 -8.751 878 HZ3 LYS 109 2HZ LYS 109 13.943 -8.696 -10.356 879 H ASN 110 H ASN 110 5.978 -9.880 -8.480 880 HA ASN 110 HA ASN 110 6.056 -12.606 -7.352 881 HB2 ASN 110 2HB ASN 110 4.780 -10.153 -6.131 882 HB3 ASN 110 1HB ASN 110 4.531 -11.771 -5.495 883 HD21 ASN 110 1HD2 ASN 110 7.530 -10.599 -6.840 884 HD22 ASN 110 2HD2 ASN 110 8.453 -10.604 -5.399 885 H GLY 111 H GLY 111 4.427 -11.099 -9.680 886 HA2 GLY 111 2HA GLY 111 2.607 -11.755 -10.902 887 HA3 GLY 111 1HA GLY 111 2.523 -13.194 -9.895 888 H VAL 112 H VAL 112 2.280 -9.832 -8.860 889 HA VAL 112 HA VAL 112 -0.387 -10.423 -7.814 890 HB VAL 112 HB VAL 112 1.560 -8.209 -7.044 891 HG11 VAL 112 1HG1 VAL 112 -0.754 -7.561 -6.692 892 HG12 VAL 112 2HG1 VAL 112 0.077 -7.789 -5.151 893 HG13 VAL 112 3HG1 VAL 112 -1.034 -9.025 -5.746 894 HG21 VAL 112 3HG2 VAL 112 1.871 -9.430 -4.945 895 HG22 VAL 112 1HG2 VAL 112 2.396 -10.384 -6.337 896 HG23 VAL 112 2HG2 VAL 112 0.849 -10.732 -5.560 897 H THR 113 H THR 113 -2.069 -9.093 -8.424 898 HA THR 113 HA THR 113 -1.496 -6.817 -10.200 899 HB THR 113 HB THR 113 -1.896 -8.752 -11.676 900 HG1 THR 113 1HG THR 113 -3.005 -7.542 -12.953 901 HG21 THR 113 3HG2 THR 113 -3.232 -10.159 -10.196 902 HG22 THR 113 1HG2 THR 113 -4.094 -9.888 -11.710 903 HG23 THR 113 2HG2 THR 113 -4.557 -9.000 -10.258 904 H ASP 114 H ASP 114 -2.703 -7.602 -7.374 905 HA ASP 114 HA ASP 114 -4.945 -5.721 -7.634 906 HB2 ASP 114 2HB ASP 114 -4.829 -8.132 -5.789 907 HB3 ASP 114 1HB ASP 114 -6.121 -6.943 -5.828 908 H LEU 115 H LEU 115 -4.659 -3.971 -6.421 909 HA LEU 115 HA LEU 115 -3.058 -4.096 -3.982 910 HB2 LEU 115 2HB LEU 115 -2.610 -2.235 -6.295 911 HB3 LEU 115 1HB LEU 115 -2.011 -1.899 -4.689 912 HG LEU 115 HG LEU 115 -1.262 -4.353 -6.257 913 HD11 LEU 115 1HD1 LEU 115 0.862 -3.140 -6.665 914 HD12 LEU 115 2HD1 LEU 115 0.191 -1.735 -5.819 915 HD13 LEU 115 3HD1 LEU 115 -0.504 -2.250 -7.358 916 HD21 LEU 115 3HD2 LEU 115 0.503 -4.539 -4.607 917 HD22 LEU 115 1HD2 LEU 115 -1.074 -4.461 -3.817 918 HD23 LEU 115 2HD2 LEU 115 -0.044 -3.043 -3.838 919 H SER 116 H SER 116 -3.734 -2.738 -2.407 920 HA SER 116 HA SER 116 -5.808 -0.846 -3.099 921 HB2 SER 116 2HB SER 116 -7.077 -1.558 -1.049 922 HB3 SER 116 1HB SER 116 -7.032 -2.767 -2.329 923 HG SER 116 HG SER 116 -5.160 -3.633 -1.109 924 H MET 117 H MET 117 -5.709 1.024 -2.080 925 HA MET 117 HA MET 117 -4.076 1.325 0.294 926 HB2 MET 117 2HB MET 117 -2.858 3.275 -0.623 927 HB3 MET 117 1HB MET 117 -2.473 1.827 -1.496 928 HG2 MET 117 2HG MET 117 -4.502 3.836 -2.487 929 HG3 MET 117 1HG MET 117 -2.802 3.887 -2.925 930 HE1 MET 117 3HE MET 117 -1.605 2.059 -4.302 931 HE2 MET 117 1HE MET 117 -2.369 0.612 -4.981 932 HE3 MET 117 2HE MET 117 -2.127 0.766 -3.236 933 HA PRO 118 HA PRO 118 -7.301 4.331 0.945 934 HB2 PRO 118 2HB PRO 118 -6.306 5.721 3.010 935 HB3 PRO 118 1HB PRO 118 -6.686 4.002 3.170 936 HG2 PRO 118 2HG PRO 118 -4.055 5.339 3.012 937 HG3 PRO 118 1HG PRO 118 -4.521 3.790 3.737 938 HD2 PRO 118 2HD PRO 118 -3.330 4.246 1.169 939 HD3 PRO 118 1HD PRO 118 -3.788 2.702 1.903 940 H ARG 119 H ARG 119 -7.046 6.930 1.837 941 HA ARG 119 HA ARG 119 -6.303 8.329 -0.537 942 HB2 ARG 119 2HB ARG 119 -8.245 8.903 1.044 943 HB3 ARG 119 1HB ARG 119 -7.025 9.495 2.162 944 HG2 ARG 119 2HG ARG 119 -6.286 11.069 0.366 945 HG3 ARG 119 1HG ARG 119 -7.694 10.564 -0.561 946 HD2 ARG 119 2HD ARG 119 -7.646 11.946 2.118 947 HD3 ARG 119 1HD ARG 119 -8.237 12.592 0.596 948 HE ARG 119 HE ARG 119 -9.563 10.532 2.239 949 HH11 ARG 119 1HH1 ARG 119 -9.729 12.851 -0.456 950 HH12 ARG 119 2HH1 ARG 119 -11.414 12.993 -0.381 951 HH21 ARG 119 1HH2 ARG 119 -11.937 10.768 2.323 952 HH22 ARG 119 2HH2 ARG 119 -12.667 11.783 1.179 953 H ILE 120 H ILE 120 -4.079 7.843 -0.622 954 HA ILE 120 HA ILE 120 -2.321 8.437 1.542 955 HB ILE 120 HB ILE 120 -0.459 7.938 -0.083 956 HG12 ILE 120 2HG1 ILE 120 -2.783 7.452 -1.959 957 HG13 ILE 120 1HG1 ILE 120 -1.505 8.665 -2.134 958 HG21 ILE 120 1HG2 ILE 120 -1.405 6.195 1.327 959 HG22 ILE 120 2HG2 ILE 120 -0.983 5.539 -0.254 960 HG23 ILE 120 3HG2 ILE 120 -2.665 5.903 0.127 961 HD11 ILE 120 3HD1 ILE 120 -1.229 6.798 -3.654 962 HD12 ILE 120 1HD1 ILE 120 -1.178 5.669 -2.313 963 HD13 ILE 120 2HD1 ILE 120 0.117 6.865 -2.512 964 H GLY 121 H GLY 121 -3.564 10.310 -0.996 965 HA2 GLY 121 2HA GLY 121 -1.630 12.447 -0.386 966 HA3 GLY 121 1HA GLY 121 -2.627 12.387 -1.840 967 H CYS 122 H CYS 122 -3.257 12.044 1.607 968 HA CYS 122 HA CYS 122 -5.815 13.313 1.342 969 HB2 CYS 122 2HB CYS 122 -5.488 11.364 2.792 970 HB3 CYS 122 1HB CYS 122 -4.385 12.293 3.793 971 HG CYS 122 HG CYS 122 -6.927 14.156 3.838 972 H GLY 123 H GLY 123 -2.729 14.104 2.894 973 HA2 GLY 123 2HA GLY 123 -3.825 16.802 3.356 974 HA3 GLY 123 1HA GLY 123 -2.773 15.998 4.507 975 H LEU 124 H LEU 124 -2.701 16.469 1.015 976 HA LEU 124 HA LEU 124 0.031 17.501 1.326 977 HB2 LEU 124 2HB LEU 124 -1.178 16.081 -1.051 978 HB3 LEU 124 1HB LEU 124 0.470 16.660 -0.931 979 HG LEU 124 HG LEU 124 -0.757 14.417 0.676 980 HD11 LEU 124 1HD1 LEU 124 1.369 14.392 -1.453 981 HD12 LEU 124 2HD1 LEU 124 -0.287 13.809 -1.624 982 HD13 LEU 124 3HD1 LEU 124 0.823 13.004 -0.515 983 HD21 LEU 124 3HD2 LEU 124 2.043 15.548 0.755 984 HD22 LEU 124 1HD2 LEU 124 1.507 14.078 1.574 985 HD23 LEU 124 2HD2 LEU 124 0.842 15.642 2.041 986 H ASP 125 H ASP 125 0.497 19.433 0.380 987 HA ASP 125 HA ASP 125 -1.831 20.804 -0.801 988 HB2 ASP 125 2HB ASP 125 -1.157 21.772 1.341 989 HB3 ASP 125 1HB ASP 125 0.466 22.044 0.710 990 H ARG 126 H ARG 126 1.686 20.578 -0.999 991 HA ARG 126 HA ARG 126 1.818 22.194 -3.350 992 HB2 ARG 126 2HB ARG 126 3.813 20.619 -1.811 993 HB3 ARG 126 1HB ARG 126 4.237 21.120 -3.439 994 HG2 ARG 126 2HG ARG 126 5.103 22.636 -1.725 995 HG3 ARG 126 1HG ARG 126 3.985 23.446 -2.809 996 HD2 ARG 126 2HD ARG 126 2.237 23.326 -1.103 997 HD3 ARG 126 1HD ARG 126 3.326 22.438 -0.033 998 HE ARG 126 HE ARG 126 4.790 24.530 -0.379 999 HH11 ARG 126 1HH1 ARG 126 1.210 24.643 0.028 1000 HH12 ARG 126 2HH1 ARG 126 1.269 26.163 0.772 1001 HH21 ARG 126 1HH2 ARG 126 4.745 26.616 0.614 1002 HH22 ARG 126 2HH2 ARG 126 3.270 27.322 1.087 1003 H LEU 127 H LEU 127 0.867 19.079 -2.910 1004 HA LEU 127 HA LEU 127 0.833 18.769 -5.740 1005 HB2 LEU 127 2HB LEU 127 1.307 16.343 -5.646 1006 HB3 LEU 127 1HB LEU 127 2.681 17.325 -5.216 1007 HG LEU 127 HG LEU 127 0.953 15.909 -3.177 1008 HD11 LEU 127 1HD1 LEU 127 2.758 14.237 -3.137 1009 HD12 LEU 127 2HD1 LEU 127 3.558 15.091 -4.466 1010 HD13 LEU 127 3HD1 LEU 127 1.985 14.332 -4.727 1011 HD21 LEU 127 3HD2 LEU 127 2.250 17.806 -2.416 1012 HD22 LEU 127 1HD2 LEU 127 3.700 17.089 -3.122 1013 HD23 LEU 127 2HD2 LEU 127 2.897 16.294 -1.745 1014 H GLN 128 H GLN 128 -0.891 17.568 -6.427 1015 HA GLN 128 HA GLN 128 -3.072 17.460 -4.414 1016 HB2 GLN 128 2HB GLN 128 -3.331 17.872 -7.396 1017 HB3 GLN 128 1HB GLN 128 -4.653 17.814 -6.246 1018 HG2 GLN 128 2HG GLN 128 -2.495 19.877 -6.412 1019 HG3 GLN 128 1HG GLN 128 -4.174 20.067 -6.918 1020 HE21 GLN 128 1HE2 GLN 128 -2.716 21.651 -5.005 1021 HE22 GLN 128 2HE2 GLN 128 -3.535 21.507 -3.493 1022 H TRP 129 H TRP 129 -4.608 15.789 -4.590 1023 HA TRP 129 HA TRP 129 -3.595 13.268 -5.119 1024 HB2 TRP 129 2HB TRP 129 -5.527 13.511 -3.645 1025 HB3 TRP 129 1HB TRP 129 -6.496 14.116 -4.991 1026 HD1 TRP 129 HD TRP 129 -7.851 12.362 -6.313 1027 HE1 TRP 129 1HE TRP 129 -7.867 9.807 -6.483 1028 HE3 TRP 129 3HE TRP 129 -3.804 11.366 -3.398 1029 HZ2 TRP 129 2HZ TRP 129 -6.316 7.606 -5.471 1030 HZ3 TRP 129 3HZ TRP 129 -3.145 9.050 -3.056 1031 HH2 TRP 129 HH TRP 129 -4.388 7.201 -4.077 1032 H GLU 130 H GLU 130 -5.390 15.424 -7.200 1033 HA GLU 130 HA GLU 130 -6.011 13.698 -9.281 1034 HB2 GLU 130 2HB GLU 130 -6.820 16.004 -9.218 1035 HB3 GLU 130 1HB GLU 130 -5.185 16.592 -9.482 1036 HG2 GLU 130 2HG GLU 130 -5.143 15.601 -11.681 1037 HG3 GLU 130 1HG GLU 130 -6.744 14.905 -11.418 1038 H ASN 131 H ASN 131 -3.032 15.542 -8.816 1039 HA ASN 131 HA ASN 131 -1.842 14.463 -11.171 1040 HB2 ASN 131 2HB ASN 131 -0.532 15.901 -8.843 1041 HB3 ASN 131 1HB ASN 131 0.292 15.431 -10.330 1042 HD21 ASN 131 1HD2 ASN 131 -1.970 17.645 -8.898 1043 HD22 ASN 131 2HD2 ASN 131 -2.092 18.694 -10.259 1044 H VAL 132 H VAL 132 -1.915 13.518 -7.839 1045 HA VAL 132 HA VAL 132 0.092 11.529 -7.987 1046 HB VAL 132 HB VAL 132 -2.288 11.747 -6.112 1047 HG11 VAL 132 1HG1 VAL 132 -1.481 9.452 -6.154 1048 HG12 VAL 132 2HG1 VAL 132 -1.016 10.219 -4.632 1049 HG13 VAL 132 3HG1 VAL 132 0.172 10.009 -5.917 1050 HG21 VAL 132 3HG2 VAL 132 -0.647 12.637 -4.511 1051 HG22 VAL 132 1HG2 VAL 132 -0.766 13.638 -5.959 1052 HG23 VAL 132 2HG2 VAL 132 0.601 12.548 -5.760 1053 H SER 133 H SER 133 -3.476 11.361 -8.276 1054 HA SER 133 HA SER 133 -3.610 8.653 -8.786 1055 HB2 SER 133 2HB SER 133 -5.877 9.204 -9.769 1056 HB3 SER 133 1HB SER 133 -5.602 9.823 -8.145 1057 HG SER 133 HG SER 133 -4.907 11.587 -10.165 1058 H ALA 134 H ALA 134 -3.014 11.365 -10.954 1059 HA ALA 134 HA ALA 134 -3.182 9.895 -13.351 1060 HB1 ALA 134 1HB ALA 134 -3.243 12.352 -13.298 1061 HB2 ALA 134 2HB ALA 134 -1.952 11.769 -14.350 1062 HB3 ALA 134 3HB ALA 134 -1.571 12.378 -12.740 1063 H MET 135 H MET 135 -0.476 10.771 -11.266 1064 HA MET 135 HA MET 135 1.679 9.662 -12.599 1065 HB2 MET 135 2HB MET 135 1.904 11.031 -10.623 1066 HB3 MET 135 1HB MET 135 1.131 9.800 -9.635 1067 HG2 MET 135 2HG MET 135 3.044 8.278 -10.218 1068 HG3 MET 135 1HG MET 135 3.827 9.668 -10.963 1069 HE1 MET 135 3HE MET 135 4.499 11.870 -9.597 1070 HE2 MET 135 1HE MET 135 4.217 12.059 -7.866 1071 HE3 MET 135 2HE MET 135 2.851 12.000 -8.978 1072 H ILE 136 H ILE 136 -0.487 8.152 -10.260 1073 HA ILE 136 HA ILE 136 0.745 5.638 -10.131 1074 HB ILE 136 HB ILE 136 -2.182 6.340 -9.768 1075 HG12 ILE 136 2HG1 ILE 136 0.052 6.001 -7.756 1076 HG13 ILE 136 1HG1 ILE 136 -0.671 7.525 -8.242 1077 HG21 ILE 136 1HG2 ILE 136 -2.374 4.249 -8.509 1078 HG22 ILE 136 2HG2 ILE 136 -0.709 3.841 -8.921 1079 HG23 ILE 136 3HG2 ILE 136 -1.933 3.950 -10.192 1080 HD11 ILE 136 3HD1 ILE 136 -2.083 5.294 -6.784 1081 HD12 ILE 136 1HD1 ILE 136 -2.813 6.819 -7.283 1082 HD13 ILE 136 2HD1 ILE 136 -1.524 6.814 -6.081 1083 H GLU 137 H GLU 137 -1.892 6.801 -12.186 1084 HA GLU 137 HA GLU 137 -2.135 4.357 -13.566 1085 HB2 GLU 137 2HB GLU 137 -3.110 7.098 -14.365 1086 HB3 GLU 137 1HB GLU 137 -3.591 5.586 -15.123 1087 HG2 GLU 137 2HG GLU 137 -4.513 4.821 -12.975 1088 HG3 GLU 137 1HG GLU 137 -4.094 6.379 -12.265 1089 H GLU 138 H GLU 138 -0.159 7.202 -14.094 1090 HA GLU 138 HA GLU 138 0.689 6.649 -16.735 1091 HB2 GLU 138 2HB GLU 138 2.254 7.944 -14.499 1092 HB3 GLU 138 1HB GLU 138 2.693 7.983 -16.193 1093 HG2 GLU 138 2HG GLU 138 0.615 9.271 -16.646 1094 HG3 GLU 138 1HG GLU 138 0.300 9.254 -14.902 1095 H VAL 139 H VAL 139 2.146 5.849 -13.611 1096 HA VAL 139 HA VAL 139 4.301 4.367 -14.670 1097 HB VAL 139 HB VAL 139 3.065 4.221 -11.902 1098 HG11 VAL 139 1HG1 VAL 139 4.355 2.242 -12.402 1099 HG12 VAL 139 2HG1 VAL 139 5.209 3.224 -11.210 1100 HG13 VAL 139 3HG1 VAL 139 5.726 3.213 -12.905 1101 HG21 VAL 139 3HG2 VAL 139 4.933 5.680 -11.242 1102 HG22 VAL 139 1HG2 VAL 139 3.902 6.452 -12.448 1103 HG23 VAL 139 2HG2 VAL 139 5.454 5.765 -12.927 1104 H PHE 140 H PHE 140 1.205 3.330 -13.261 1105 HA PHE 140 HA PHE 140 1.757 0.631 -13.798 1106 HB2 PHE 140 2HB PHE 140 -0.687 2.024 -12.863 1107 HB3 PHE 140 1HB PHE 140 -0.792 0.363 -13.429 1108 HD1 PHE 140 2HD PHE 140 0.689 -1.388 -12.328 1109 HD2 PHE 140 1HD PHE 140 0.070 2.506 -10.692 1110 HE1 PHE 140 2HE PHE 140 1.326 -2.206 -10.158 1111 HE2 PHE 140 1HE PHE 140 0.751 1.637 -8.477 1112 HZ PHE 140 HZ PHE 140 1.363 -0.807 -8.275 1113 H GLU 141 H GLU 141 0.704 3.055 -15.942 1114 HA GLU 141 HA GLU 141 -0.936 1.637 -17.664 1115 HB2 GLU 141 2HB GLU 141 -0.409 4.073 -17.711 1116 HB3 GLU 141 1HB GLU 141 1.167 3.670 -18.369 1117 HG2 GLU 141 2HG GLU 141 0.068 2.589 -20.243 1118 HG3 GLU 141 1HG GLU 141 -1.488 3.137 -19.605 1119 H ALA 142 H ALA 142 2.479 1.646 -17.215 1120 HA ALA 142 HA ALA 142 3.174 0.217 -19.580 1121 HB1 ALA 142 1HB ALA 142 5.400 0.025 -18.574 1122 HB2 ALA 142 2HB ALA 142 4.759 0.603 -17.040 1123 HB3 ALA 142 3HB ALA 142 4.783 1.670 -18.442 1124 H THR 143 H THR 143 1.571 -0.731 -16.876 1125 HA THR 143 HA THR 143 2.299 -3.548 -17.239 1126 HB THR 143 HB THR 143 2.064 -3.883 -14.781 1127 HG1 THR 143 1HG THR 143 1.330 -1.253 -14.929 1128 HG21 THR 143 3HG2 THR 143 4.147 -1.808 -15.494 1129 HG22 THR 143 1HG2 THR 143 4.333 -3.556 -15.664 1130 HG23 THR 143 2HG2 THR 143 4.160 -2.831 -14.060 1131 H ASP 144 H ASP 144 0.459 -4.669 -15.561 1132 HA ASP 144 HA ASP 144 -2.046 -3.290 -15.971 1133 HB2 ASP 144 2HB ASP 144 -1.897 -4.804 -17.887 1134 HB3 ASP 144 1HB ASP 144 -1.555 -6.155 -16.815 1135 H ILE 145 H ILE 145 -1.956 -2.833 -13.788 1136 HA ILE 145 HA ILE 145 -2.673 -5.056 -12.065 1137 HB ILE 145 HB ILE 145 -0.636 -2.851 -11.231 1138 HG12 ILE 145 2HG1 ILE 145 -0.233 -5.832 -11.485 1139 HG13 ILE 145 1HG1 ILE 145 0.118 -4.739 -12.812 1140 HG21 ILE 145 1HG2 ILE 145 -1.793 -5.041 -9.617 1141 HG22 ILE 145 2HG2 ILE 145 -2.050 -3.315 -9.431 1142 HG23 ILE 145 3HG2 ILE 145 -0.445 -3.998 -9.177 1143 HD11 ILE 145 3HD1 ILE 145 1.345 -4.581 -10.084 1144 HD12 ILE 145 1HD1 ILE 145 1.717 -3.607 -11.523 1145 HD13 ILE 145 2HD1 ILE 145 2.085 -5.327 -11.518 1146 H LYS 146 H LYS 146 -4.218 -4.568 -10.587 1147 HA LYS 146 HA LYS 146 -6.017 -2.406 -11.121 1148 HB2 LYS 146 2HB LYS 146 -6.714 -4.635 -10.766 1149 HB3 LYS 146 1HB LYS 146 -5.849 -4.709 -9.249 1150 HG2 LYS 146 2HG LYS 146 -7.440 -2.892 -8.449 1151 HG3 LYS 146 1HG LYS 146 -8.362 -3.278 -9.927 1152 HD2 LYS 146 2HD LYS 146 -8.428 -5.542 -9.380 1153 HD3 LYS 146 1HD LYS 146 -7.393 -5.267 -7.976 1154 HE2 LYS 146 2HE LYS 146 -9.245 -3.897 -6.992 1155 HE3 LYS 146 1HE LYS 146 -10.272 -4.393 -8.339 1156 HZ1 LYS 146 3HZ LYS 146 -9.063 -6.177 -6.268 1157 HZ2 LYS 146 1HZ LYS 146 -9.725 -6.720 -7.686 1158 HZ3 LYS 146 2HZ LYS 146 -10.720 -6.012 -6.584 1159 H ILE 147 H ILE 147 -6.433 -0.745 -9.709 1160 HA ILE 147 HA ILE 147 -4.753 -0.525 -7.281 1161 HB ILE 147 HB ILE 147 -5.818 1.867 -8.766 1162 HG12 ILE 147 2HG1 ILE 147 -4.538 0.753 -10.516 1163 HG13 ILE 147 1HG1 ILE 147 -3.670 2.173 -9.977 1164 HG21 ILE 147 1HG2 ILE 147 -4.983 2.210 -6.524 1165 HG22 ILE 147 2HG2 ILE 147 -3.967 3.054 -7.692 1166 HG23 ILE 147 3HG2 ILE 147 -3.430 1.538 -6.970 1167 HD11 ILE 147 3HD1 ILE 147 -3.068 -0.669 -9.215 1168 HD12 ILE 147 1HD1 ILE 147 -2.109 0.765 -8.765 1169 HD13 ILE 147 2HD1 ILE 147 -2.273 0.297 -10.463 1170 H THR 148 H THR 148 -6.161 -0.596 -5.572 1171 HA THR 148 HA THR 148 -8.820 0.505 -6.074 1172 HB THR 148 HB THR 148 -8.168 -1.625 -4.025 1173 HG1 THR 148 1HG THR 148 -8.081 -1.844 -6.559 1174 HG21 THR 148 3HG2 THR 148 -10.752 -0.665 -5.272 1175 HG22 THR 148 1HG2 THR 148 -10.208 -0.288 -3.641 1176 HG23 THR 148 2HG2 THR 148 -10.601 -1.953 -4.072 1177 H VAL 149 H VAL 149 -9.070 2.349 -5.131 1178 HA VAL 149 HA VAL 149 -7.516 2.942 -2.755 1179 HB VAL 149 HB VAL 149 -9.014 4.788 -4.653 1180 HG11 VAL 149 1HG1 VAL 149 -8.985 5.692 -2.382 1181 HG12 VAL 149 2HG1 VAL 149 -7.936 6.610 -3.467 1182 HG13 VAL 149 3HG1 VAL 149 -7.229 5.474 -2.318 1183 HG21 VAL 149 3HG2 VAL 149 -7.003 3.815 -5.640 1184 HG22 VAL 149 1HG2 VAL 149 -6.055 4.383 -4.256 1185 HG23 VAL 149 2HG2 VAL 149 -6.819 5.543 -5.342 1186 H TYR 150 H TYR 150 -8.575 2.533 -0.986 1187 HA TYR 150 HA TYR 150 -11.462 2.771 -0.991 1188 HB2 TYR 150 2HB TYR 150 -9.590 1.625 1.093 1189 HB3 TYR 150 1HB TYR 150 -11.311 1.852 1.374 1190 HD1 TYR 150 2HD TYR 150 -12.963 0.443 0.211 1191 HD2 TYR 150 1HD TYR 150 -8.795 -0.138 -0.369 1192 HE1 TYR 150 2HE TYR 150 -13.408 -1.756 -0.770 1193 HE2 TYR 150 1HE TYR 150 -9.216 -2.322 -1.336 1194 HH TYR 150 HH TYR 150 -10.962 -4.057 -1.349 1195 H THR 151 H THR 151 -12.425 4.424 -0.315 1196 HA THR 151 HA THR 151 -10.739 6.611 0.455 1197 HB THR 151 HB THR 151 -12.755 7.968 -0.107 1198 HG1 THR 151 1HG THR 151 -14.284 6.187 0.185 1199 HG21 THR 151 3HG2 THR 151 -10.940 7.590 -1.714 1200 HG22 THR 151 1HG2 THR 151 -12.499 7.612 -2.537 1201 HG23 THR 151 2HG2 THR 151 -11.696 6.077 -2.215 1202 H LEU 152 H LEU 152 -10.866 7.770 2.167 1203 HA LEU 152 HA LEU 152 -12.984 7.520 4.097 1204 HB2 LEU 152 2HB LEU 152 -11.165 5.986 4.839 1205 HB3 LEU 152 1HB LEU 152 -10.011 7.285 4.670 1206 HG LEU 152 HG LEU 152 -11.106 8.501 6.511 1207 HD11 LEU 152 1HD1 LEU 152 -12.754 7.382 7.907 1208 HD12 LEU 152 2HD1 LEU 152 -12.809 6.027 6.783 1209 HD13 LEU 152 3HD1 LEU 152 -13.358 7.622 6.271 1210 HD21 LEU 152 3HD2 LEU 152 -9.209 7.055 6.975 1211 HD22 LEU 152 1HD2 LEU 152 -10.287 5.670 7.152 1212 HD23 LEU 152 2HD2 LEU 152 -10.363 6.998 8.309 Start of MODEL 16 1 H GLU 1 H GLU 1 -26.016 -8.860 7.119 2 HA GLU 1 HA GLU 1 -27.328 -9.307 4.533 3 HB2 GLU 1 2HB GLU 1 -26.063 -6.823 5.727 4 HB3 GLU 1 1HB GLU 1 -26.786 -6.916 4.128 5 HG2 GLU 1 2HG GLU 1 -28.250 -7.342 6.722 6 HG3 GLU 1 1HG GLU 1 -28.247 -5.849 5.787 7 H ALA 2 H ALA 2 -25.988 -10.171 3.020 8 HA ALA 2 HA ALA 2 -23.171 -9.451 3.133 9 HB1 ALA 2 1HB ALA 2 -22.474 -11.777 2.873 10 HB2 ALA 2 2HB ALA 2 -24.155 -12.299 2.983 11 HB3 ALA 2 3HB ALA 2 -23.368 -11.551 4.375 12 H SER 3 H SER 3 -22.182 -9.414 1.179 13 HA SER 3 HA SER 3 -23.782 -10.157 -1.155 14 HB2 SER 3 2HB SER 3 -22.619 -8.171 -2.279 15 HB3 SER 3 1HB SER 3 -23.872 -7.792 -1.097 16 HG SER 3 HG SER 3 -22.436 -7.091 0.268 17 H SER 4 H SER 4 -21.051 -10.731 0.574 18 HA SER 4 HA SER 4 -19.262 -12.008 0.338 19 HB2 SER 4 2HB SER 4 -20.653 -13.599 -0.891 20 HB3 SER 4 1HB SER 4 -20.370 -12.724 -2.392 21 HG SER 4 HG SER 4 -19.009 -14.480 -2.256 22 H LEU 5 H LEU 5 -19.504 -10.805 -2.935 23 HA LEU 5 HA LEU 5 -16.771 -9.769 -2.598 24 HB2 LEU 5 2HB LEU 5 -18.245 -10.384 -5.158 25 HB3 LEU 5 1HB LEU 5 -16.635 -9.720 -5.056 26 HG LEU 5 HG LEU 5 -17.436 -12.460 -4.072 27 HD11 LEU 5 1HD1 LEU 5 -16.136 -13.279 -5.966 28 HD12 LEU 5 2HD1 LEU 5 -15.858 -11.622 -6.502 29 HD13 LEU 5 3HD1 LEU 5 -17.490 -12.290 -6.505 30 HD21 LEU 5 3HD2 LEU 5 -15.019 -12.809 -3.833 31 HD22 LEU 5 1HD2 LEU 5 -15.590 -11.518 -2.778 32 HD23 LEU 5 2HD2 LEU 5 -14.734 -11.127 -4.273 33 H ASN 6 H ASN 6 -16.270 -7.716 -2.981 34 HA ASN 6 HA ASN 6 -18.473 -5.820 -3.330 35 HB2 ASN 6 2HB ASN 6 -16.975 -5.538 -1.347 36 HB3 ASN 6 1HB ASN 6 -15.595 -5.408 -2.421 37 HD21 ASN 6 1HD2 ASN 6 -16.650 -3.552 -0.426 38 HD22 ASN 6 2HD2 ASN 6 -16.933 -2.074 -1.254 39 H GLU 7 H GLU 7 -18.743 -5.185 -5.414 40 HA GLU 7 HA GLU 7 -16.318 -5.026 -7.021 41 HB2 GLU 7 2HB GLU 7 -19.050 -5.827 -7.971 42 HB3 GLU 7 1HB GLU 7 -17.671 -5.532 -9.012 43 HG2 GLU 7 2HG GLU 7 -16.474 -7.340 -7.934 44 HG3 GLU 7 1HG GLU 7 -17.885 -7.685 -6.924 45 H ASP 8 H ASP 8 -16.403 -3.642 -8.794 46 HA ASP 8 HA ASP 8 -18.186 -1.420 -8.989 47 HB2 ASP 8 2HB ASP 8 -16.499 -0.931 -7.002 48 HB3 ASP 8 1HB ASP 8 -15.248 -0.948 -8.228 49 HA PRO 9 HA PRO 9 -16.473 -1.521 -13.330 50 HB2 PRO 9 2HB PRO 9 -14.710 0.699 -12.405 51 HB3 PRO 9 1HB PRO 9 -15.549 0.512 -13.949 52 HG2 PRO 9 2HG PRO 9 -16.537 2.033 -11.889 53 HG3 PRO 9 1HG PRO 9 -17.537 1.263 -13.126 54 HD2 PRO 9 2HD PRO 9 -17.436 0.679 -10.307 55 HD3 PRO 9 1HD PRO 9 -18.468 -0.061 -11.541 56 H GLU 10 H GLU 10 -14.734 -2.404 -14.338 57 HA GLU 10 HA GLU 10 -13.315 -4.266 -12.923 58 HB2 GLU 10 2HB GLU 10 -12.759 -3.312 -15.710 59 HB3 GLU 10 1HB GLU 10 -11.947 -4.685 -14.981 60 HG2 GLU 10 2HG GLU 10 -13.701 -5.502 -16.344 61 HG3 GLU 10 1HG GLU 10 -14.146 -5.730 -14.649 62 H GLY 11 H GLY 11 -12.215 -1.121 -13.495 63 HA2 GLY 11 2HA GLY 11 -10.693 -0.738 -11.419 64 HA3 GLY 11 1HA GLY 11 -9.704 -1.953 -12.194 65 H SER 12 H SER 12 -9.417 -1.212 -14.716 66 HA SER 12 HA SER 12 -7.983 -0.094 -15.925 67 HB2 SER 12 2HB SER 12 -9.734 1.508 -16.087 68 HB3 SER 12 1HB SER 12 -9.313 2.162 -14.504 69 HG SER 12 HG SER 12 -7.727 3.316 -15.415 70 H ARG 13 H ARG 13 -7.683 2.191 -13.311 71 HA ARG 13 HA ARG 13 -5.239 0.857 -12.450 72 HB2 ARG 13 2HB ARG 13 -5.495 3.841 -12.873 73 HB3 ARG 13 1HB ARG 13 -4.105 3.014 -12.201 74 HG2 ARG 13 2HG ARG 13 -5.166 2.574 -14.964 75 HG3 ARG 13 1HG ARG 13 -3.835 3.655 -14.576 76 HD2 ARG 13 2HD ARG 13 -2.524 1.826 -13.768 77 HD3 ARG 13 1HD ARG 13 -3.866 0.700 -13.918 78 HE ARG 13 HE ARG 13 -2.974 2.085 -16.304 79 HH11 ARG 13 1HH1 ARG 13 -2.987 -0.915 -14.447 80 HH12 ARG 13 2HH1 ARG 13 -2.463 -1.869 -15.785 81 HH21 ARG 13 1HH2 ARG 13 -2.336 0.736 -18.108 82 HH22 ARG 13 2HH2 ARG 13 -2.151 -0.941 -17.882 83 H ILE 14 H ILE 14 -6.995 3.833 -11.591 84 HA ILE 14 HA ILE 14 -7.001 2.832 -8.827 85 HB ILE 14 HB ILE 14 -7.395 5.647 -9.826 86 HG12 ILE 14 2HG1 ILE 14 -4.960 4.395 -8.516 87 HG13 ILE 14 1HG1 ILE 14 -5.086 4.861 -10.207 88 HG21 ILE 14 1HG2 ILE 14 -8.520 5.236 -7.688 89 HG22 ILE 14 2HG2 ILE 14 -7.132 6.291 -7.442 90 HG23 ILE 14 3HG2 ILE 14 -7.031 4.592 -7.012 91 HD11 ILE 14 3HD1 ILE 14 -5.171 6.731 -7.843 92 HD12 ILE 14 1HD1 ILE 14 -5.301 7.209 -9.534 93 HD13 ILE 14 2HD1 ILE 14 -3.809 6.495 -8.935 94 H THR 15 H THR 15 -8.756 2.180 -8.079 95 HA THR 15 HA THR 15 -11.366 2.981 -9.201 96 HB THR 15 HB THR 15 -10.622 0.558 -7.539 97 HG1 THR 15 1HG THR 15 -9.768 0.079 -9.399 98 HG21 THR 15 3HG2 THR 15 -12.996 1.215 -7.357 99 HG22 THR 15 1HG2 THR 15 -12.819 -0.311 -8.222 100 HG23 THR 15 2HG2 THR 15 -13.136 1.178 -9.111 101 H TYR 16 H TYR 16 -12.691 4.139 -7.830 102 HA TYR 16 HA TYR 16 -11.808 4.411 -5.044 103 HB2 TYR 16 2HB TYR 16 -13.650 6.184 -6.661 104 HB3 TYR 16 1HB TYR 16 -13.162 6.463 -4.995 105 HD1 TYR 16 2HD TYR 16 -10.726 6.933 -4.516 106 HD2 TYR 16 1HD TYR 16 -12.328 6.897 -8.452 107 HE1 TYR 16 2HE TYR 16 -8.794 8.225 -5.309 108 HE2 TYR 16 1HE TYR 16 -10.407 8.176 -9.258 109 HH TYR 16 HH TYR 16 -8.748 9.705 -8.345 110 H VAL 17 H VAL 17 -12.936 3.361 -3.585 111 HA VAL 17 HA VAL 17 -15.814 2.882 -4.026 112 HB VAL 17 HB VAL 17 -13.839 0.894 -2.838 113 HG11 VAL 17 1HG1 VAL 17 -15.711 -0.684 -2.798 114 HG12 VAL 17 2HG1 VAL 17 -16.788 0.585 -3.367 115 HG13 VAL 17 3HG1 VAL 17 -16.017 0.726 -1.784 116 HG21 VAL 17 3HG2 VAL 17 -14.327 -0.526 -4.784 117 HG22 VAL 17 1HG2 VAL 17 -13.575 1.000 -5.249 118 HG23 VAL 17 2HG2 VAL 17 -15.307 0.772 -5.474 119 H LYS 18 H LYS 18 -17.032 3.304 -2.169 120 HA LYS 18 HA LYS 18 -15.509 4.350 -0.009 121 HB2 LYS 18 2HB LYS 18 -17.651 5.034 1.028 122 HB3 LYS 18 1HB LYS 18 -17.378 5.743 -0.541 123 HG2 LYS 18 2HG LYS 18 -19.235 3.417 -0.003 124 HG3 LYS 18 1HG LYS 18 -19.743 5.100 -0.032 125 HD2 LYS 18 2HD LYS 18 -18.890 5.197 -2.408 126 HD3 LYS 18 1HD LYS 18 -18.659 3.449 -2.314 127 HE2 LYS 18 2HE LYS 18 -21.030 3.169 -1.795 128 HE3 LYS 18 1HE LYS 18 -21.255 4.910 -1.917 129 HZ1 LYS 18 3HZ LYS 18 -21.931 3.922 -3.924 130 HZ2 LYS 18 1HZ LYS 18 -20.516 3.048 -4.116 131 HZ3 LYS 18 2HZ LYS 18 -20.534 4.735 -4.290 132 H GLY 19 H GLY 19 -14.789 3.312 1.563 133 HA2 GLY 19 2HA GLY 19 -16.065 1.588 3.250 134 HA3 GLY 19 1HA GLY 19 -15.346 0.578 1.988 135 H ASP 20 H ASP 20 -14.145 -0.009 4.274 136 HA ASP 20 HA ASP 20 -11.954 1.813 4.622 137 HB2 ASP 20 2HB ASP 20 -11.559 0.515 6.620 138 HB3 ASP 20 1HB ASP 20 -13.226 1.104 6.636 139 H LEU 21 H LEU 21 -9.860 0.856 4.943 140 HA LEU 21 HA LEU 21 -9.158 -0.988 2.814 141 HB2 LEU 21 2HB LEU 21 -7.496 0.526 4.771 142 HB3 LEU 21 1HB LEU 21 -6.887 -0.422 3.429 143 HG LEU 21 HG LEU 21 -8.587 2.059 3.214 144 HD11 LEU 21 1HD1 LEU 21 -6.564 2.960 2.241 145 HD12 LEU 21 2HD1 LEU 21 -5.823 1.361 2.522 146 HD13 LEU 21 3HD1 LEU 21 -6.302 2.359 3.905 147 HD21 LEU 21 3HD2 LEU 21 -9.024 0.394 1.488 148 HD22 LEU 21 1HD2 LEU 21 -7.315 0.372 1.096 149 HD23 LEU 21 2HD2 LEU 21 -8.252 1.857 0.851 150 H PHE 22 H PHE 22 -10.133 -1.435 5.900 151 HA PHE 22 HA PHE 22 -8.153 -3.498 6.502 152 HB2 PHE 22 2HB PHE 22 -10.270 -2.217 8.274 153 HB3 PHE 22 1HB PHE 22 -9.189 -3.502 8.803 154 HD1 PHE 22 2HD PHE 22 -9.084 -0.098 7.276 155 HD2 PHE 22 1HD PHE 22 -7.137 -2.887 9.874 156 HE1 PHE 22 2HE PHE 22 -7.382 1.578 7.839 157 HE2 PHE 22 1HE PHE 22 -5.468 -1.223 10.398 158 HZ PHE 22 HZ PHE 22 -5.576 1.008 9.393 159 H ALA 23 H ALA 23 -11.504 -2.959 5.824 160 HA ALA 23 HA ALA 23 -12.203 -5.759 6.036 161 HB1 ALA 23 1HB ALA 23 -13.800 -4.080 6.662 162 HB2 ALA 23 2HB ALA 23 -14.432 -4.892 5.216 163 HB3 ALA 23 3HB ALA 23 -13.645 -3.303 5.111 164 H CYS 24 H CYS 24 -10.233 -4.482 3.935 165 HA CYS 24 HA CYS 24 -11.331 -4.934 1.378 166 HB2 CYS 24 2HB CYS 24 -8.942 -4.930 0.648 167 HB3 CYS 24 1HB CYS 24 -9.356 -3.557 1.668 168 HG CYS 24 HG CYS 24 -7.540 -3.928 3.404 169 HA PRO 25 HA PRO 25 -11.247 -9.424 0.939 170 HB2 PRO 25 2HB PRO 25 -10.108 -8.913 -1.763 171 HB3 PRO 25 1HB PRO 25 -11.542 -9.840 -1.309 172 HG2 PRO 25 2HG PRO 25 -11.820 -7.449 -2.410 173 HG3 PRO 25 1HG PRO 25 -12.861 -7.940 -1.059 174 HD2 PRO 25 2HD PRO 25 -10.473 -6.128 -1.048 175 HD3 PRO 25 1HD PRO 25 -12.031 -5.953 -0.210 176 H LYS 26 H LYS 26 -9.766 -11.197 0.040 177 HA LYS 26 HA LYS 26 -7.395 -11.107 1.591 178 HB2 LYS 26 2HB LYS 26 -8.413 -13.173 -0.297 179 HB3 LYS 26 1HB LYS 26 -7.036 -13.379 0.769 180 HG2 LYS 26 2HG LYS 26 -8.466 -12.984 2.709 181 HG3 LYS 26 1HG LYS 26 -9.854 -12.810 1.636 182 HD2 LYS 26 2HD LYS 26 -8.125 -15.205 1.662 183 HD3 LYS 26 1HD LYS 26 -9.470 -15.057 2.799 184 HE2 LYS 26 2HE LYS 26 -10.188 -16.411 0.871 185 HE3 LYS 26 1HE LYS 26 -11.018 -14.865 0.838 186 HZ1 LYS 26 3HZ LYS 26 -8.627 -15.515 -0.842 187 HZ2 LYS 26 1HZ LYS 26 -9.589 -14.139 -0.931 188 HZ3 LYS 26 2HZ LYS 26 -10.234 -15.620 -1.342 189 H THR 27 H THR 27 -7.973 -10.558 -1.809 190 HA THR 27 HA THR 27 -5.223 -11.122 -2.516 191 HB THR 27 HB THR 27 -6.115 -10.233 -4.756 192 HG1 THR 27 1HG THR 27 -8.060 -9.385 -4.470 193 HG21 THR 27 3HG2 THR 27 -7.150 -12.423 -5.246 194 HG22 THR 27 1HG2 THR 27 -7.256 -12.751 -3.517 195 HG23 THR 27 2HG2 THR 27 -5.678 -12.616 -4.293 196 H ASP 28 H ASP 28 -7.061 -8.515 -1.485 197 HA ASP 28 HA ASP 28 -5.778 -6.383 -2.815 198 HB2 ASP 28 2HB ASP 28 -7.346 -6.477 -0.241 199 HB3 ASP 28 1HB ASP 28 -6.717 -4.992 -0.932 200 H SER 29 H SER 29 -3.584 -6.355 -2.702 201 HA SER 29 HA SER 29 -2.331 -6.633 -0.143 202 HB2 SER 29 2HB SER 29 -1.259 -5.862 -2.879 203 HB3 SER 29 1HB SER 29 -0.256 -6.163 -1.450 204 HG SER 29 HG SER 29 -2.013 -7.981 -2.722 205 H LEU 30 H LEU 30 -1.053 -4.761 0.701 206 HA LEU 30 HA LEU 30 -2.604 -2.334 0.123 207 HB2 LEU 30 2HB LEU 30 -1.939 -3.632 2.698 208 HB3 LEU 30 1HB LEU 30 -2.108 -1.895 2.658 209 HG LEU 30 HG LEU 30 -4.310 -3.711 1.652 210 HD11 LEU 30 1HD1 LEU 30 -5.316 -3.385 3.890 211 HD12 LEU 30 2HD1 LEU 30 -3.813 -2.587 4.382 212 HD13 LEU 30 3HD1 LEU 30 -3.798 -4.302 3.985 213 HD21 LEU 30 3HD2 LEU 30 -4.266 -0.878 2.722 214 HD22 LEU 30 1HD2 LEU 30 -5.674 -1.739 2.119 215 HD23 LEU 30 2HD2 LEU 30 -4.359 -1.319 1.022 216 H ALA 31 H ALA 31 -1.603 -0.479 0.063 217 HA ALA 31 HA ALA 31 1.263 -0.426 0.626 218 HB1 ALA 31 1HB ALA 31 -0.144 0.739 -1.760 219 HB2 ALA 31 2HB ALA 31 0.891 -0.691 -1.773 220 HB3 ALA 31 3HB ALA 31 1.581 0.893 -1.404 221 H HIS 32 H HIS 32 1.988 1.577 1.364 222 HA HIS 32 HA HIS 32 0.023 3.695 1.830 223 HB2 HIS 32 2HB HIS 32 1.594 2.538 4.150 224 HB3 HIS 32 1HB HIS 32 0.250 3.687 4.154 225 HD1 HIS 32 1HD HIS 32 1.039 0.088 4.235 226 HD2 HIS 32 2HD HIS 32 -2.317 2.484 3.778 227 HE1 HIS 32 1HE HIS 32 -0.922 -1.444 4.563 228 HE2 HIS 32 2HE HIS 32 -2.920 -0.013 4.006 229 H CYS 33 H CYS 33 1.255 5.651 2.676 230 HA CYS 33 HA CYS 33 4.048 5.470 1.835 231 HB2 CYS 33 2HB CYS 33 3.941 7.951 1.694 232 HB3 CYS 33 1HB CYS 33 2.816 7.147 0.607 233 HG CYS 33 HG CYS 33 1.303 9.141 1.331 234 H ILE 34 H ILE 34 5.695 5.856 3.192 235 HA ILE 34 HA ILE 34 5.226 7.060 5.786 236 HB ILE 34 HB ILE 34 6.338 5.269 7.089 237 HG12 ILE 34 2HG1 ILE 34 6.503 3.685 4.532 238 HG13 ILE 34 1HG1 ILE 34 7.845 4.596 5.207 239 HG21 ILE 34 1HG2 ILE 34 3.984 5.051 6.888 240 HG22 ILE 34 2HG2 ILE 34 4.786 3.484 6.986 241 HG23 ILE 34 3HG2 ILE 34 4.181 4.076 5.435 242 HD11 ILE 34 3HD1 ILE 34 6.434 2.328 6.598 243 HD12 ILE 34 1HD1 ILE 34 7.806 3.242 7.217 244 HD13 ILE 34 2HD1 ILE 34 7.999 2.230 5.786 245 H SER 35 H SER 35 7.476 7.290 6.885 246 HA SER 35 HA SER 35 9.256 8.303 4.841 247 HB2 SER 35 2HB SER 35 10.384 9.348 6.791 248 HB3 SER 35 1HB SER 35 8.703 9.817 6.589 249 HG SER 35 HG SER 35 8.185 8.889 8.394 250 H GLU 36 H GLU 36 11.710 8.019 5.342 251 HA GLU 36 HA GLU 36 12.233 5.218 5.240 252 HB2 GLU 36 2HB GLU 36 14.604 5.855 4.844 253 HB3 GLU 36 1HB GLU 36 13.505 6.744 3.822 254 HG2 GLU 36 2HG GLU 36 14.964 8.393 4.422 255 HG3 GLU 36 1HG GLU 36 13.751 8.532 5.699 256 H ASP 37 H ASP 37 12.142 7.437 7.709 257 HA ASP 37 HA ASP 37 13.682 5.776 9.592 258 HB2 ASP 37 2HB ASP 37 13.877 8.321 9.490 259 HB3 ASP 37 1HB ASP 37 12.240 8.394 10.109 260 H CYS 38 H CYS 38 10.722 5.782 8.279 261 HA CYS 38 HA CYS 38 8.727 4.881 8.737 262 HB2 CYS 38 2HB CYS 38 10.287 3.487 10.920 263 HB3 CYS 38 1HB CYS 38 8.658 3.039 10.410 264 HG CYS 38 HG CYS 38 10.669 3.205 7.806 265 H ARG 39 H ARG 39 9.331 7.370 9.857 266 HA ARG 39 HA ARG 39 8.084 7.627 12.414 267 HB2 ARG 39 2HB ARG 39 8.702 9.633 10.244 268 HB3 ARG 39 1HB ARG 39 8.039 10.064 11.814 269 HG2 ARG 39 2HG ARG 39 10.618 8.582 11.462 270 HG3 ARG 39 1HG ARG 39 10.517 10.344 11.575 271 HD2 ARG 39 2HD ARG 39 9.586 10.233 13.702 272 HD3 ARG 39 1HD ARG 39 9.385 8.478 13.651 273 HE ARG 39 HE ARG 39 11.993 8.714 13.299 274 HH11 ARG 39 1HH1 ARG 39 9.957 10.369 15.663 275 HH12 ARG 39 2HH1 ARG 39 11.120 10.360 16.897 276 HH21 ARG 39 1HH2 ARG 39 13.596 8.693 14.962 277 HH22 ARG 39 2HH2 ARG 39 13.268 9.401 16.474 278 H MET 40 H MET 40 5.988 7.052 12.639 279 HA MET 40 HA MET 40 4.106 8.553 11.045 280 HB2 MET 40 2HB MET 40 2.592 6.732 10.577 281 HB3 MET 40 1HB MET 40 4.163 6.289 9.947 282 HG2 MET 40 2HG MET 40 3.131 5.431 12.575 283 HG3 MET 40 1HG MET 40 2.796 4.487 11.116 284 HE1 MET 40 3HE MET 40 5.593 4.648 9.569 285 HE2 MET 40 1HE MET 40 4.691 3.151 9.809 286 HE3 MET 40 2HE MET 40 6.405 3.222 10.218 287 H GLY 41 H GLY 41 3.467 9.864 12.558 288 HA2 GLY 41 2HA GLY 41 2.725 8.815 15.178 289 HA3 GLY 41 1HA GLY 41 2.725 10.512 14.705 290 H ALA 42 H ALA 42 1.303 9.643 12.203 291 HA ALA 42 HA ALA 42 -1.315 8.934 13.169 292 HB1 ALA 42 1HB ALA 42 -0.740 11.513 11.691 293 HB2 ALA 42 2HB ALA 42 -1.288 11.382 13.363 294 HB3 ALA 42 3HB ALA 42 -2.346 10.876 12.042 295 H GLY 43 H GLY 43 -2.758 8.693 11.186 296 HA2 GLY 43 2HA GLY 43 -2.886 8.368 8.840 297 HA3 GLY 43 1HA GLY 43 -1.166 7.997 8.832 298 H ILE 44 H ILE 44 -2.487 6.257 7.574 299 HA ILE 44 HA ILE 44 -3.785 4.279 9.154 300 HB ILE 44 HB ILE 44 -4.468 4.662 6.861 301 HG12 ILE 44 2HG1 ILE 44 -3.284 1.885 6.960 302 HG13 ILE 44 1HG1 ILE 44 -4.712 2.336 7.909 303 HG21 ILE 44 1HG2 ILE 44 -1.776 3.589 6.081 304 HG22 ILE 44 2HG2 ILE 44 -2.313 5.259 5.893 305 HG23 ILE 44 3HG2 ILE 44 -3.092 3.966 4.976 306 HD11 ILE 44 3HD1 ILE 44 -5.281 1.196 5.908 307 HD12 ILE 44 1HD1 ILE 44 -4.370 2.379 4.946 308 HD13 ILE 44 2HD1 ILE 44 -5.801 2.888 5.843 309 H ALA 45 H ALA 45 -0.467 4.728 8.186 310 HA ALA 45 HA ALA 45 0.421 2.062 8.440 311 HB1 ALA 45 1HB ALA 45 1.834 3.812 7.415 312 HB2 ALA 45 2HB ALA 45 2.665 2.967 8.717 313 HB3 ALA 45 3HB ALA 45 2.021 4.569 8.998 314 H VAL 46 H VAL 46 -0.454 4.384 10.802 315 HA VAL 46 HA VAL 46 0.987 3.441 13.021 316 HB VAL 46 HB VAL 46 -1.713 4.827 12.958 317 HG11 VAL 46 1HG1 VAL 46 0.227 4.455 15.233 318 HG12 VAL 46 2HG1 VAL 46 -1.367 3.719 15.094 319 HG13 VAL 46 3HG1 VAL 46 -1.216 5.471 15.274 320 HG21 VAL 46 3HG2 VAL 46 -0.426 6.843 13.433 321 HG22 VAL 46 1HG2 VAL 46 0.057 6.110 11.905 322 HG23 VAL 46 2HG2 VAL 46 1.068 5.913 13.334 323 H LEU 47 H LEU 47 -2.138 2.501 11.712 324 HA LEU 47 HA LEU 47 -2.713 0.603 13.751 325 HB2 LEU 47 2HB LEU 47 -3.866 1.197 11.056 326 HB3 LEU 47 1HB LEU 47 -4.358 -0.237 11.939 327 HG LEU 47 HG LEU 47 -4.568 2.492 13.224 328 HD11 LEU 47 1HD1 LEU 47 -5.856 2.527 11.112 329 HD12 LEU 47 2HD1 LEU 47 -6.906 2.507 12.527 330 HD13 LEU 47 3HD1 LEU 47 -6.651 1.030 11.591 331 HD21 LEU 47 3HD2 LEU 47 -5.959 -0.132 13.579 332 HD22 LEU 47 1HD2 LEU 47 -6.248 1.322 14.543 333 HD23 LEU 47 2HD2 LEU 47 -4.687 0.489 14.631 334 H PHE 48 H PHE 48 -1.065 0.485 10.714 335 HA PHE 48 HA PHE 48 -1.007 -2.325 10.610 336 HB2 PHE 48 2HB PHE 48 0.464 -0.240 9.041 337 HB3 PHE 48 1HB PHE 48 0.819 -1.964 8.848 338 HD1 PHE 48 2HD PHE 48 -2.042 0.414 8.856 339 HD2 PHE 48 1HD PHE 48 -0.437 -3.237 7.420 340 HE1 PHE 48 2HE PHE 48 -4.011 0.114 7.423 341 HE2 PHE 48 1HE PHE 48 -2.397 -3.545 5.995 342 HZ PHE 48 HZ PHE 48 -4.213 -1.833 6.022 343 H LYS 49 H LYS 49 1.017 -0.050 12.187 344 HA LYS 49 HA LYS 49 3.223 -1.650 12.718 345 HB2 LYS 49 2HB LYS 49 1.898 0.250 14.626 346 HB3 LYS 49 1HB LYS 49 3.513 -0.421 14.810 347 HG2 LYS 49 2HG LYS 49 3.970 0.574 12.514 348 HG3 LYS 49 1HG LYS 49 2.478 1.485 12.803 349 HD2 LYS 49 2HD LYS 49 4.817 1.383 14.628 350 HD3 LYS 49 1HD LYS 49 4.574 2.693 13.467 351 HE2 LYS 49 2HE LYS 49 2.434 3.236 14.621 352 HE3 LYS 49 1HE LYS 49 2.768 1.954 15.789 353 HZ1 LYS 49 3HZ LYS 49 3.391 4.162 16.610 354 HZ2 LYS 49 1HZ LYS 49 4.467 4.356 15.364 355 HZ3 LYS 49 2HZ LYS 49 4.731 3.149 16.496 356 H LYS 50 H LYS 50 0.127 -1.525 14.470 357 HA LYS 50 HA LYS 50 0.915 -3.650 16.151 358 HB2 LYS 50 2HB LYS 50 -1.778 -2.410 15.766 359 HB3 LYS 50 1HB LYS 50 -1.498 -3.770 16.830 360 HG2 LYS 50 2HG LYS 50 -1.412 -1.982 18.255 361 HG3 LYS 50 1HG LYS 50 0.285 -2.294 17.936 362 HD2 LYS 50 2HD LYS 50 -0.048 0.074 17.874 363 HD3 LYS 50 1HD LYS 50 0.182 -0.462 16.211 364 HE2 LYS 50 2HE LYS 50 -2.157 -0.412 15.792 365 HE3 LYS 50 1HE LYS 50 -2.522 -0.074 17.485 366 HZ1 LYS 50 3HZ LYS 50 -1.365 2.068 17.217 367 HZ2 LYS 50 1HZ LYS 50 -2.692 1.924 16.218 368 HZ3 LYS 50 2HZ LYS 50 -1.126 1.732 15.571 369 H LYS 51 H LYS 51 -0.838 -3.507 13.131 370 HA LYS 51 HA LYS 51 -1.960 -6.106 13.285 371 HB2 LYS 51 2HB LYS 51 -1.498 -4.262 10.966 372 HB3 LYS 51 1HB LYS 51 -2.360 -5.781 10.835 373 HG2 LYS 51 2HG LYS 51 -3.114 -3.423 12.529 374 HG3 LYS 51 1HG LYS 51 -3.796 -3.810 10.945 375 HD2 LYS 51 2HD LYS 51 -4.439 -5.942 11.768 376 HD3 LYS 51 1HD LYS 51 -3.788 -5.493 13.352 377 HE2 LYS 51 2HE LYS 51 -5.427 -3.678 13.537 378 HE3 LYS 51 1HE LYS 51 -6.045 -4.059 11.930 379 HZ1 LYS 51 3HZ LYS 51 -6.785 -6.209 12.766 380 HZ2 LYS 51 1HZ LYS 51 -7.459 -4.956 13.656 381 HZ3 LYS 51 2HZ LYS 51 -6.192 -5.852 14.294 382 H PHE 52 H PHE 52 0.980 -4.909 11.684 383 HA PHE 52 HA PHE 52 1.555 -7.727 11.099 384 HB2 PHE 52 2HB PHE 52 2.456 -5.290 9.569 385 HB3 PHE 52 1HB PHE 52 3.026 -6.927 9.247 386 HD1 PHE 52 1HD PHE 52 0.128 -4.684 9.134 387 HD2 PHE 52 2HD PHE 52 1.629 -8.534 8.142 388 HE1 PHE 52 1HE PHE 52 -1.832 -5.073 7.728 389 HE2 PHE 52 2HE PHE 52 -0.339 -8.934 6.716 390 HZ PHE 52 HZ PHE 52 -2.074 -7.205 6.510 391 H GLY 53 H GLY 53 2.724 -4.970 12.728 392 HA2 GLY 53 2HA GLY 53 4.557 -4.616 14.056 393 HA3 GLY 53 1HA GLY 53 4.491 -6.347 14.335 394 H GLY 54 H GLY 54 5.305 -4.484 11.411 395 HA2 GLY 54 2HA GLY 54 7.913 -5.870 11.476 396 HA3 GLY 54 1HA GLY 54 6.998 -5.636 9.995 397 H VAL 55 H VAL 55 7.516 -3.309 12.610 398 HA VAL 55 HA VAL 55 8.144 -1.289 10.710 399 HB VAL 55 HB VAL 55 8.470 -1.172 13.721 400 HG11 VAL 55 1HG1 VAL 55 8.191 1.250 13.412 401 HG12 VAL 55 2HG1 VAL 55 8.107 1.003 11.669 402 HG13 VAL 55 3HG1 VAL 55 9.598 0.625 12.542 403 HG21 VAL 55 3HG2 VAL 55 6.223 -0.181 13.774 404 HG22 VAL 55 1HG2 VAL 55 6.191 -1.836 13.160 405 HG23 VAL 55 2HG2 VAL 55 6.062 -0.477 12.041 406 H GLN 56 H GLN 56 10.017 -3.256 13.041 407 HA GLN 56 HA GLN 56 12.476 -2.032 12.417 408 HB2 GLN 56 2HB GLN 56 11.714 -4.621 13.701 409 HB3 GLN 56 1HB GLN 56 13.377 -4.261 13.295 410 HG2 GLN 56 2HG GLN 56 12.954 -3.760 15.626 411 HG3 GLN 56 1HG GLN 56 13.307 -2.292 14.733 412 HE21 GLN 56 1HE2 GLN 56 10.884 -4.122 16.334 413 HE22 GLN 56 2HE2 GLN 56 9.712 -2.857 16.492 414 H GLU 57 H GLU 57 10.620 -4.577 10.993 415 HA GLU 57 HA GLU 57 12.665 -5.514 9.291 416 HB2 GLU 57 2HB GLU 57 9.673 -5.535 8.843 417 HB3 GLU 57 1HB GLU 57 10.834 -6.443 7.889 418 HG2 GLU 57 2HG GLU 57 11.490 -7.655 9.955 419 HG3 GLU 57 1HG GLU 57 10.199 -6.812 10.804 420 H LEU 58 H LEU 58 10.351 -2.896 9.039 421 HA LEU 58 HA LEU 58 10.934 -2.136 6.372 422 HB2 LEU 58 2HB LEU 58 9.991 -0.430 8.675 423 HB3 LEU 58 1HB LEU 58 9.908 0.007 6.985 424 HG LEU 58 HG LEU 58 8.393 -2.237 8.302 425 HD11 LEU 58 1HD1 LEU 58 7.577 -0.052 8.957 426 HD12 LEU 58 2HD1 LEU 58 6.430 -0.859 7.886 427 HD13 LEU 58 3HD1 LEU 58 7.468 0.424 7.265 428 HD21 LEU 58 3HD2 LEU 58 8.308 -1.205 5.474 429 HD22 LEU 58 1HD2 LEU 58 7.214 -2.403 6.164 430 HD23 LEU 58 2HD2 LEU 58 8.926 -2.778 5.995 431 H LEU 59 H LEU 59 12.067 -0.866 9.490 432 HA LEU 59 HA LEU 59 13.942 0.931 8.461 433 HB2 LEU 59 2HB LEU 59 13.806 -0.436 11.132 434 HB3 LEU 59 1HB LEU 59 15.035 0.746 10.734 435 HG LEU 59 HG LEU 59 12.065 1.305 10.730 436 HD11 LEU 59 1HD1 LEU 59 12.928 0.889 12.999 437 HD12 LEU 59 2HD1 LEU 59 12.527 2.593 12.742 438 HD13 LEU 59 3HD1 LEU 59 14.210 2.070 12.705 439 HD21 LEU 59 3HD2 LEU 59 14.469 3.096 10.440 440 HD22 LEU 59 1HD2 LEU 59 12.796 3.630 10.579 441 HD23 LEU 59 2HD2 LEU 59 13.302 2.709 9.172 442 H ASN 60 H ASN 60 14.385 -2.434 9.422 443 HA ASN 60 HA ASN 60 17.164 -2.417 8.940 444 HB2 ASN 60 2HB ASN 60 15.204 -4.698 9.048 445 HB3 ASN 60 1HB ASN 60 16.938 -4.926 8.829 446 HD21 ASN 60 1HD2 ASN 60 15.076 -5.633 11.024 447 HD22 ASN 60 2HD2 ASN 60 15.791 -4.974 12.458 448 H GLN 61 H GLN 61 14.536 -2.637 6.749 449 HA GLN 61 HA GLN 61 16.137 -3.625 4.585 450 HB2 GLN 61 2HB GLN 61 13.373 -2.424 4.670 451 HB3 GLN 61 1HB GLN 61 14.152 -2.876 3.165 452 HG2 GLN 61 2HG GLN 61 14.251 -5.184 3.856 453 HG3 GLN 61 1HG GLN 61 13.623 -4.760 5.448 454 HE21 GLN 61 1HE2 GLN 61 11.500 -4.313 5.670 455 HE22 GLN 61 2HE2 GLN 61 10.289 -4.703 4.490 456 H GLN 62 H GLN 62 15.801 -0.600 6.085 457 HA GLN 62 HA GLN 62 16.027 1.517 5.457 458 HB2 GLN 62 2HB GLN 62 18.669 0.308 4.758 459 HB3 GLN 62 1HB GLN 62 18.371 2.044 4.724 460 HG2 GLN 62 2HG GLN 62 17.666 1.964 7.013 461 HG3 GLN 62 1HG GLN 62 18.025 0.246 7.084 462 HE21 GLN 62 1HE2 GLN 62 19.185 2.440 8.621 463 HE22 GLN 62 2HE2 GLN 62 20.875 2.420 8.347 464 H LYS 63 H LYS 63 14.468 1.653 4.050 465 HA LYS 63 HA LYS 63 15.261 1.859 1.261 466 HB2 LYS 63 2HB LYS 63 12.602 1.583 2.613 467 HB3 LYS 63 1HB LYS 63 12.768 1.892 0.886 468 HG2 LYS 63 2HG LYS 63 14.231 -0.303 2.191 469 HG3 LYS 63 1HG LYS 63 12.542 -0.551 1.696 470 HD2 LYS 63 2HD LYS 63 13.154 -0.062 -0.595 471 HD3 LYS 63 1HD LYS 63 14.787 0.400 -0.128 472 HE2 LYS 63 2HE LYS 63 13.628 -2.355 0.240 473 HE3 LYS 63 1HE LYS 63 14.539 -1.873 -1.190 474 HZ1 LYS 63 3HZ LYS 63 15.653 -1.862 1.608 475 HZ2 LYS 63 1HZ LYS 63 16.463 -1.484 0.194 476 HZ3 LYS 63 2HZ LYS 63 15.912 -3.037 0.432 477 H LYS 64 H LYS 64 15.396 3.641 0.316 478 HA LYS 64 HA LYS 64 15.033 6.093 1.856 479 HB2 LYS 64 2HB LYS 64 16.357 5.634 -0.811 480 HB3 LYS 64 1HB LYS 64 16.336 7.152 0.072 481 HG2 LYS 64 2HG LYS 64 17.607 4.591 1.013 482 HG3 LYS 64 1HG LYS 64 18.463 5.970 0.321 483 HD2 LYS 64 2HD LYS 64 17.729 7.365 2.186 484 HD3 LYS 64 1HD LYS 64 16.835 6.005 2.867 485 HE2 LYS 64 2HE LYS 64 18.972 6.288 3.995 486 HE3 LYS 64 1HE LYS 64 18.919 4.758 3.131 487 HZ1 LYS 64 3HZ LYS 64 20.317 7.236 2.248 488 HZ2 LYS 64 1HZ LYS 64 20.203 5.846 1.319 489 HZ3 LYS 64 2HZ LYS 64 21.037 5.820 2.778 490 H SER 65 H SER 65 14.386 8.059 0.428 491 HA SER 65 HA SER 65 11.723 7.685 -0.282 492 HB2 SER 65 2HB SER 65 11.892 10.046 -1.070 493 HB3 SER 65 1HB SER 65 12.543 9.772 0.552 494 HG SER 65 HG SER 65 13.830 10.304 -1.847 495 H GLY 66 H GLY 66 10.871 6.931 -2.037 496 HA2 GLY 66 2HA GLY 66 10.674 6.788 -4.410 497 HA3 GLY 66 1HA GLY 66 12.420 7.021 -4.533 498 H GLU 67 H GLU 67 11.887 4.983 -1.996 499 HA GLU 67 HA GLU 67 11.961 2.606 -3.666 500 HB2 GLU 67 2HB GLU 67 13.310 3.019 -0.989 501 HB3 GLU 67 1HB GLU 67 13.295 1.528 -1.908 502 HG2 GLU 67 2HG GLU 67 14.513 2.781 -3.722 503 HG3 GLU 67 1HG GLU 67 14.693 4.094 -2.559 504 H VAL 68 H VAL 68 11.147 0.706 -2.491 505 HA VAL 68 HA VAL 68 8.989 1.513 -0.683 506 HB VAL 68 HB VAL 68 8.174 0.933 -2.952 507 HG11 VAL 68 1HG1 VAL 68 9.792 -0.763 -3.573 508 HG12 VAL 68 2HG1 VAL 68 8.153 -1.394 -3.717 509 HG13 VAL 68 3HG1 VAL 68 9.157 -1.848 -2.336 510 HG21 VAL 68 3HG2 VAL 68 6.395 -0.496 -2.299 511 HG22 VAL 68 1HG2 VAL 68 6.739 0.666 -1.018 512 HG23 VAL 68 2HG2 VAL 68 7.281 -1.019 -0.852 513 H ALA 69 H ALA 69 8.783 0.404 1.141 514 HA ALA 69 HA ALA 69 10.570 -1.869 1.602 515 HB1 ALA 69 1HB ALA 69 10.713 -0.054 3.244 516 HB2 ALA 69 2HB ALA 69 10.049 -1.498 3.997 517 HB3 ALA 69 3HB ALA 69 8.984 -0.167 3.551 518 H VAL 70 H VAL 70 9.691 -3.892 2.185 519 HA VAL 70 HA VAL 70 6.782 -4.053 1.730 520 HB VAL 70 HB VAL 70 8.831 -6.112 0.880 521 HG11 VAL 70 1HG1 VAL 70 5.899 -5.923 0.249 522 HG12 VAL 70 2HG1 VAL 70 6.679 -7.102 1.306 523 HG13 VAL 70 3HG1 VAL 70 7.018 -7.103 -0.428 524 HG21 VAL 70 3HG2 VAL 70 7.401 -4.094 -0.866 525 HG22 VAL 70 1HG2 VAL 70 8.412 -5.411 -1.461 526 HG23 VAL 70 2HG2 VAL 70 9.126 -4.116 -0.500 527 H LEU 71 H LEU 71 5.630 -5.344 3.056 528 HA LEU 71 HA LEU 71 7.065 -7.086 4.941 529 HB2 LEU 71 2HB LEU 71 4.368 -5.756 5.393 530 HB3 LEU 71 1HB LEU 71 5.080 -6.939 6.428 531 HG LEU 71 HG LEU 71 6.165 -4.173 5.950 532 HD11 LEU 71 1HD1 LEU 71 5.629 -3.844 8.317 533 HD12 LEU 71 2HD1 LEU 71 4.953 -5.468 8.389 534 HD13 LEU 71 3HD1 LEU 71 4.186 -4.239 7.384 535 HD21 LEU 71 3HD2 LEU 71 8.000 -5.727 6.237 536 HD22 LEU 71 1HD2 LEU 71 7.236 -6.411 7.675 537 HD23 LEU 71 2HD2 LEU 71 7.815 -4.743 7.682 538 H LYS 72 H LYS 72 6.682 -9.147 4.669 539 HA LYS 72 HA LYS 72 4.678 -9.819 2.727 540 HB2 LYS 72 2HB LYS 72 6.864 -10.824 2.420 541 HB3 LYS 72 1HB LYS 72 6.756 -11.593 4.004 542 HG2 LYS 72 2HG LYS 72 4.824 -12.879 3.254 543 HG3 LYS 72 1HG LYS 72 4.918 -12.109 1.677 544 HD2 LYS 72 2HD LYS 72 7.112 -13.137 1.324 545 HD3 LYS 72 1HD LYS 72 7.010 -13.894 2.922 546 HE2 LYS 72 2HE LYS 72 4.968 -15.045 2.248 547 HE3 LYS 72 1HE LYS 72 5.077 -14.313 0.653 548 HZ1 LYS 72 3HZ LYS 72 7.090 -15.505 0.244 549 HZ2 LYS 72 1HZ LYS 72 5.868 -16.566 0.719 550 HZ3 LYS 72 2HZ LYS 72 7.107 -16.143 1.812 551 H ARG 73 H ARG 73 2.912 -10.804 3.028 552 HA ARG 73 HA ARG 73 2.298 -12.137 5.532 553 HB2 ARG 73 2HB ARG 73 1.056 -9.976 5.353 554 HB3 ARG 73 1HB ARG 73 0.524 -10.424 3.743 555 HG2 ARG 73 2HG ARG 73 -1.288 -10.731 5.265 556 HG3 ARG 73 1HG ARG 73 -0.723 -12.311 4.738 557 HD2 ARG 73 2HD ARG 73 0.561 -12.507 6.845 558 HD3 ARG 73 1HD ARG 73 -0.115 -10.964 7.371 559 HE ARG 73 HE ARG 73 -1.944 -13.069 6.591 560 HH11 ARG 73 1HH1 ARG 73 -0.515 -11.216 9.284 561 HH12 ARG 73 2HH1 ARG 73 -1.682 -11.731 10.387 562 HH21 ARG 73 1HH2 ARG 73 -3.537 -13.751 8.193 563 HH22 ARG 73 2HH2 ARG 73 -3.386 -13.150 9.789 564 H ASP 74 H ASP 74 1.177 -14.172 5.008 565 HA ASP 74 HA ASP 74 1.876 -15.135 2.426 566 HB2 ASP 74 2HB ASP 74 1.856 -16.670 4.333 567 HB3 ASP 74 1HB ASP 74 0.123 -16.420 4.529 568 H GLY 75 H GLY 75 0.915 -14.402 0.687 569 HA2 GLY 75 2HA GLY 75 -1.091 -14.889 -0.673 570 HA3 GLY 75 1HA GLY 75 -2.026 -14.304 0.698 571 H ARG 76 H ARG 76 -0.515 -12.028 1.369 572 HA ARG 76 HA ARG 76 -0.468 -10.468 -1.063 573 HB2 ARG 76 2HB ARG 76 -1.826 -8.695 -0.017 574 HB3 ARG 76 1HB ARG 76 -2.715 -10.171 -0.341 575 HG2 ARG 76 2HG ARG 76 -2.498 -10.785 2.034 576 HG3 ARG 76 1HG ARG 76 -1.688 -9.241 2.334 577 HD2 ARG 76 2HD ARG 76 -3.618 -8.052 1.501 578 HD3 ARG 76 1HD ARG 76 -4.405 -9.596 1.154 579 HE ARG 76 HE ARG 76 -3.869 -9.712 3.802 580 HH11 ARG 76 1HH1 ARG 76 -5.510 -7.334 1.747 581 HH12 ARG 76 2HH1 ARG 76 -6.664 -6.888 2.897 582 HH21 ARG 76 1HH2 ARG 76 -5.431 -9.086 5.427 583 HH22 ARG 76 2HH2 ARG 76 -6.619 -7.916 5.068 584 H TYR 77 H TYR 77 0.630 -8.479 -0.870 585 HA TYR 77 HA TYR 77 2.595 -8.569 1.311 586 HB2 TYR 77 2HB TYR 77 2.920 -7.622 -1.546 587 HB3 TYR 77 1HB TYR 77 4.135 -7.409 -0.294 588 HD1 TYR 77 2HD TYR 77 2.192 -10.065 -2.071 589 HD2 TYR 77 1HD TYR 77 5.716 -9.083 0.099 590 HE1 TYR 77 2HE TYR 77 3.106 -12.292 -2.563 591 HE2 TYR 77 1HE TYR 77 6.636 -11.305 -0.385 592 HH TYR 77 HH TYR 77 5.179 -13.471 -2.648 593 H ILE 78 H ILE 78 3.177 -6.683 2.360 594 HA ILE 78 HA ILE 78 1.310 -4.460 1.956 595 HB ILE 78 HB ILE 78 3.183 -4.851 4.300 596 HG12 ILE 78 2HG1 ILE 78 1.724 -6.823 4.192 597 HG13 ILE 78 1HG1 ILE 78 1.295 -5.804 5.558 598 HG21 ILE 78 1HG2 ILE 78 0.628 -3.282 3.981 599 HG22 ILE 78 2HG2 ILE 78 2.260 -2.608 3.986 600 HG23 ILE 78 3HG2 ILE 78 1.608 -3.359 5.447 601 HD11 ILE 78 3HD1 ILE 78 -0.556 -4.892 4.270 602 HD12 ILE 78 1HD1 ILE 78 -0.652 -6.656 4.460 603 HD13 ILE 78 2HD1 ILE 78 -0.116 -5.952 2.921 604 H TYR 79 H TYR 79 2.074 -2.651 1.156 605 HA TYR 79 HA TYR 79 4.960 -2.392 0.775 606 HB2 TYR 79 2HB TYR 79 2.681 -1.202 -0.792 607 HB3 TYR 79 1HB TYR 79 4.387 -0.878 -1.085 608 HD1 TYR 79 1HD TYR 79 1.720 -3.378 -1.275 609 HD2 TYR 79 2HD TYR 79 5.779 -2.496 -2.113 610 HE1 TYR 79 1HE TYR 79 1.841 -5.356 -2.684 611 HE2 TYR 79 2HE TYR 79 5.932 -4.460 -3.516 612 HH TYR 79 HH TYR 79 3.197 -6.260 -4.482 613 H TYR 80 H TYR 80 5.980 -0.714 1.439 614 HA TYR 80 HA TYR 80 4.481 1.526 2.524 615 HB2 TYR 80 2HB TYR 80 7.003 0.236 3.547 616 HB3 TYR 80 1HB TYR 80 6.419 1.796 4.109 617 HD1 TYR 80 2HD TYR 80 5.742 -1.819 4.039 618 HD2 TYR 80 1HD TYR 80 4.604 1.938 5.655 619 HE1 TYR 80 2HE TYR 80 4.372 -2.962 5.708 620 HE2 TYR 80 1HE TYR 80 3.218 0.798 7.341 621 HH TYR 80 HH TYR 80 2.114 -1.346 7.681 622 H LEU 81 H LEU 81 4.639 2.923 1.009 623 HA LEU 81 HA LEU 81 6.883 3.216 -0.775 624 HB2 LEU 81 2HB LEU 81 4.452 4.943 -0.305 625 HB3 LEU 81 1HB LEU 81 5.529 5.036 -1.678 626 HG LEU 81 HG LEU 81 3.672 2.747 -1.030 627 HD11 LEU 81 1HD1 LEU 81 2.487 4.715 -1.786 628 HD12 LEU 81 2HD1 LEU 81 2.481 3.472 -3.040 629 HD13 LEU 81 3HD1 LEU 81 3.569 4.848 -3.175 630 HD21 LEU 81 3HD2 LEU 81 5.499 3.156 -3.411 631 HD22 LEU 81 1HD2 LEU 81 4.314 1.862 -3.229 632 HD23 LEU 81 2HD2 LEU 81 5.692 1.952 -2.145 633 H ILE 82 H ILE 82 8.637 4.296 -0.143 634 HA ILE 82 HA ILE 82 8.432 6.132 2.109 635 HB ILE 82 HB ILE 82 10.882 5.453 0.459 636 HG12 ILE 82 2HG1 ILE 82 10.003 3.391 1.478 637 HG13 ILE 82 1HG1 ILE 82 11.508 3.876 2.246 638 HG21 ILE 82 1HG2 ILE 82 12.102 6.290 2.406 639 HG22 ILE 82 2HG2 ILE 82 10.573 6.652 3.212 640 HG23 ILE 82 3HG2 ILE 82 11.031 7.525 1.748 641 HD11 ILE 82 3HD1 ILE 82 10.219 4.776 4.142 642 HD12 ILE 82 1HD1 ILE 82 9.906 3.064 3.874 643 HD13 ILE 82 2HD1 ILE 82 8.729 4.268 3.360 644 H THR 83 H THR 83 7.553 7.968 1.626 645 HA THR 83 HA THR 83 7.861 9.139 -0.936 646 HB THR 83 HB THR 83 6.707 11.095 0.246 647 HG1 THR 83 1HG THR 83 5.733 10.620 2.172 648 HG21 THR 83 3HG2 THR 83 5.615 9.694 -1.309 649 HG22 THR 83 1HG2 THR 83 4.528 9.949 0.049 650 HG23 THR 83 2HG2 THR 83 5.396 8.400 -0.126 651 H LYS 84 H LYS 84 9.093 9.952 2.330 652 HA LYS 84 HA LYS 84 11.308 11.167 1.054 653 HB2 LYS 84 2HB LYS 84 9.202 12.816 1.318 654 HB3 LYS 84 1HB LYS 84 9.872 12.981 2.933 655 HG2 LYS 84 2HG LYS 84 10.663 14.738 1.423 656 HG3 LYS 84 1HG LYS 84 11.989 13.720 2.001 657 HD2 LYS 84 2HD LYS 84 12.035 12.504 -0.116 658 HD3 LYS 84 1HD LYS 84 10.596 13.359 -0.666 659 HE2 LYS 84 2HE LYS 84 13.254 14.642 -0.056 660 HE3 LYS 84 1HE LYS 84 12.720 14.146 -1.660 661 HZ1 LYS 84 3HZ LYS 84 12.359 16.489 -1.260 662 HZ2 LYS 84 1HZ LYS 84 11.377 16.153 0.063 663 HZ3 LYS 84 2HZ LYS 84 10.881 15.697 -1.487 664 H LYS 85 H LYS 85 12.811 11.986 2.860 665 HA LYS 85 HA LYS 85 13.521 9.865 4.395 666 HB2 LYS 85 2HB LYS 85 15.063 11.643 3.836 667 HB3 LYS 85 1HB LYS 85 14.203 12.759 4.881 668 HG2 LYS 85 2HG LYS 85 14.865 11.551 6.819 669 HG3 LYS 85 1HG LYS 85 15.642 10.288 5.846 670 HD2 LYS 85 2HD LYS 85 17.189 12.042 4.992 671 HD3 LYS 85 1HD LYS 85 16.414 13.193 6.085 672 HE2 LYS 85 2HE LYS 85 18.458 12.349 7.089 673 HE3 LYS 85 1HE LYS 85 17.055 11.803 7.994 674 HZ1 LYS 85 3HZ LYS 85 18.680 10.023 7.668 675 HZ2 LYS 85 1HZ LYS 85 18.575 10.204 6.020 676 HZ3 LYS 85 2HZ LYS 85 17.253 9.609 6.881 677 H ARG 86 H ARG 86 11.695 12.634 5.600 678 HA ARG 86 HA ARG 86 11.169 11.141 8.095 679 HB2 ARG 86 2HB ARG 86 11.870 14.027 7.699 680 HB3 ARG 86 1HB ARG 86 11.026 13.490 9.142 681 HG2 ARG 86 2HG ARG 86 13.623 12.289 8.260 682 HG3 ARG 86 1HG ARG 86 13.567 13.730 9.273 683 HD2 ARG 86 2HD ARG 86 12.250 12.607 10.861 684 HD3 ARG 86 1HD ARG 86 12.212 11.124 9.904 685 HE ARG 86 HE ARG 86 14.751 11.223 10.208 686 HH11 ARG 86 1HH1 ARG 86 12.448 12.323 12.736 687 HH12 ARG 86 2HH1 ARG 86 13.466 11.993 14.016 688 HH21 ARG 86 1HH2 ARG 86 16.161 10.729 12.049 689 HH22 ARG 86 2HH2 ARG 86 15.636 11.058 13.635 690 H ALA 87 H ALA 87 9.134 11.822 9.236 691 HA ALA 87 HA ALA 87 6.979 11.895 7.388 692 HB1 ALA 87 1HB ALA 87 6.804 10.809 9.590 693 HB2 ALA 87 2HB ALA 87 5.551 12.031 9.378 694 HB3 ALA 87 3HB ALA 87 6.964 12.379 10.376 695 H SER 88 H SER 88 8.741 14.244 9.164 696 HA SER 88 HA SER 88 6.939 16.401 8.573 697 HB2 SER 88 2HB SER 88 9.735 16.428 9.688 698 HB3 SER 88 1HB SER 88 8.562 17.752 9.756 699 HG SER 88 HG SER 88 7.203 15.997 10.806 700 H HIS 89 H HIS 89 8.754 14.670 6.540 701 HA HIS 89 HA HIS 89 9.839 16.956 5.172 702 HB2 HIS 89 2HB HIS 89 10.412 14.017 4.816 703 HB3 HIS 89 1HB HIS 89 10.857 15.199 3.610 704 HD1 HIS 89 1HD HIS 89 13.426 14.669 4.089 705 HD2 HIS 89 2HD HIS 89 11.267 16.255 7.225 706 HE1 HIS 89 1HE HIS 89 15.133 15.238 5.815 707 HE2 HIS 89 2HE HIS 89 13.854 16.505 7.562 708 H LYS 90 H LYS 90 9.467 17.300 3.150 709 HA LYS 90 HA LYS 90 6.703 16.838 2.487 710 HB2 LYS 90 2HB LYS 90 7.038 18.603 0.727 711 HB3 LYS 90 1HB LYS 90 7.342 19.113 2.379 712 HG2 LYS 90 2HG LYS 90 9.773 18.837 1.942 713 HG3 LYS 90 1HG LYS 90 9.382 18.474 0.260 714 HD2 LYS 90 2HD LYS 90 8.344 20.665 0.010 715 HD3 LYS 90 1HD LYS 90 8.646 21.016 1.710 716 HE2 LYS 90 2HE LYS 90 11.065 20.833 1.296 717 HE3 LYS 90 1HE LYS 90 10.739 20.532 -0.407 718 HZ1 LYS 90 3HZ LYS 90 11.298 22.826 -0.089 719 HZ2 LYS 90 1HZ LYS 90 10.098 23.021 1.084 720 HZ3 LYS 90 2HZ LYS 90 9.658 22.722 -0.495 721 HA PRO 91 HA PRO 91 7.500 13.563 -0.515 722 HB2 PRO 91 2HB PRO 91 4.907 13.429 -1.373 723 HB3 PRO 91 1HB PRO 91 5.467 12.661 0.112 724 HG2 PRO 91 2HG PRO 91 4.056 15.274 -0.248 725 HG3 PRO 91 1HG PRO 91 3.774 14.005 0.958 726 HD2 PRO 91 2HD PRO 91 5.116 16.208 1.563 727 HD3 PRO 91 1HD PRO 91 5.590 14.639 2.236 728 H THR 92 H THR 92 8.039 13.689 -2.679 729 HA THR 92 HA THR 92 7.099 15.996 -4.162 730 HB THR 92 HB THR 92 9.275 15.378 -5.485 731 HG1 THR 92 1HG THR 92 10.462 14.098 -4.717 732 HG21 THR 92 3HG2 THR 92 10.598 16.789 -4.039 733 HG22 THR 92 1HG2 THR 92 9.398 16.644 -2.754 734 HG23 THR 92 2HG2 THR 92 8.983 17.459 -4.280 735 H TYR 93 H TYR 93 6.802 15.617 -6.484 736 HA TYR 93 HA TYR 93 5.263 13.351 -7.039 737 HB2 TYR 93 2HB TYR 93 6.609 15.276 -8.909 738 HB3 TYR 93 1HB TYR 93 5.591 13.965 -9.463 739 HD1 TYR 93 2HD TYR 93 3.208 13.942 -8.885 740 HD2 TYR 93 1HD TYR 93 5.673 17.282 -8.016 741 HE1 TYR 93 2HE TYR 93 1.228 15.314 -8.663 742 HE2 TYR 93 1HE TYR 93 3.676 18.696 -7.788 743 HH TYR 93 HH TYR 93 1.394 18.698 -8.585 744 H GLU 94 H GLU 94 8.599 14.079 -7.918 745 HA GLU 94 HA GLU 94 8.794 11.722 -9.372 746 HB2 GLU 94 2HB GLU 94 11.319 12.246 -9.462 747 HB3 GLU 94 1HB GLU 94 10.109 13.265 -10.224 748 HG2 GLU 94 2HG GLU 94 11.748 14.660 -9.236 749 HG3 GLU 94 1HG GLU 94 10.202 14.772 -8.384 750 H ASN 95 H ASN 95 10.033 12.506 -6.296 751 HA ASN 95 HA ASN 95 11.062 9.949 -5.646 752 HB2 ASN 95 2HB ASN 95 10.124 12.248 -4.022 753 HB3 ASN 95 1HB ASN 95 10.320 10.709 -3.170 754 HD21 ASN 95 1HD2 ASN 95 11.945 13.355 -4.830 755 HD22 ASN 95 2HD2 ASN 95 13.521 12.958 -4.283 756 H LEU 96 H LEU 96 7.744 11.209 -5.237 757 HA LEU 96 HA LEU 96 6.703 8.885 -4.105 758 HB2 LEU 96 2HB LEU 96 5.480 10.975 -4.111 759 HB3 LEU 96 1HB LEU 96 5.366 10.938 -5.856 760 HG LEU 96 HG LEU 96 3.904 8.928 -5.693 761 HD11 LEU 96 1HD1 LEU 96 4.717 8.051 -3.569 762 HD12 LEU 96 2HD1 LEU 96 2.973 8.292 -3.534 763 HD13 LEU 96 3HD1 LEU 96 4.036 9.443 -2.728 764 HD21 LEU 96 3HD2 LEU 96 2.954 11.158 -5.856 765 HD22 LEU 96 1HD2 LEU 96 3.020 11.321 -4.102 766 HD23 LEU 96 2HD2 LEU 96 1.951 10.120 -4.835 767 H GLN 97 H GLN 97 6.840 9.817 -7.610 768 HA GLN 97 HA GLN 97 5.432 7.566 -8.452 769 HB2 GLN 97 2HB GLN 97 6.102 8.115 -10.655 770 HB3 GLN 97 1HB GLN 97 5.866 9.623 -9.803 771 HG2 GLN 97 2HG GLN 97 8.347 9.705 -9.457 772 HG3 GLN 97 1HG GLN 97 8.416 8.286 -10.512 773 HE21 GLN 97 1HE2 GLN 97 8.024 8.493 -12.667 774 HE22 GLN 97 2HE2 GLN 97 7.948 10.007 -13.475 775 H LYS 98 H LYS 98 8.784 7.980 -7.638 776 HA LYS 98 HA LYS 98 9.682 5.573 -8.807 777 HB2 LYS 98 2HB LYS 98 10.826 7.285 -6.628 778 HB3 LYS 98 1HB LYS 98 11.659 5.858 -7.209 779 HG2 LYS 98 2HG LYS 98 11.724 6.843 -9.465 780 HG3 LYS 98 1HG LYS 98 10.904 8.277 -8.836 781 HD2 LYS 98 2HD LYS 98 12.768 8.665 -7.306 782 HD3 LYS 98 1HD LYS 98 13.571 7.224 -7.924 783 HE2 LYS 98 2HE LYS 98 13.700 8.230 -10.151 784 HE3 LYS 98 1HE LYS 98 12.868 9.663 -9.550 785 HZ1 LYS 98 3HZ LYS 98 14.691 10.091 -8.075 786 HZ2 LYS 98 1HZ LYS 98 15.270 10.000 -9.639 787 HZ3 LYS 98 2HZ LYS 98 15.503 8.705 -8.568 788 H SER 99 H SER 99 8.353 6.312 -5.598 789 HA SER 99 HA SER 99 8.768 3.672 -4.562 790 HB2 SER 99 2HB SER 99 7.158 4.288 -2.802 791 HB3 SER 99 1HB SER 99 8.247 5.627 -3.077 792 HG SER 99 HG SER 99 6.458 6.392 -4.559 793 H LEU 100 H LEU 100 6.137 5.141 -6.425 794 HA LEU 100 HA LEU 100 4.414 2.894 -6.620 795 HB2 LEU 100 2HB LEU 100 4.986 5.267 -8.416 796 HB3 LEU 100 1HB LEU 100 3.825 4.044 -8.845 797 HG LEU 100 HG LEU 100 2.940 6.216 -7.930 798 HD11 LEU 100 1HD1 LEU 100 1.176 5.100 -6.589 799 HD12 LEU 100 2HD1 LEU 100 2.200 3.671 -6.469 800 HD13 LEU 100 3HD1 LEU 100 1.580 4.181 -8.038 801 HD21 LEU 100 3HD2 LEU 100 2.809 6.462 -5.495 802 HD22 LEU 100 1HD2 LEU 100 4.471 6.556 -6.085 803 HD23 LEU 100 2HD2 LEU 100 3.892 5.080 -5.312 804 H GLU 101 H GLU 101 7.099 3.932 -8.749 805 HA GLU 101 HA GLU 101 7.039 1.846 -10.616 806 HB2 GLU 101 2HB GLU 101 9.396 3.300 -9.408 807 HB3 GLU 101 1HB GLU 101 9.546 2.180 -10.737 808 HG2 GLU 101 2HG GLU 101 7.832 4.624 -10.864 809 HG3 GLU 101 1HG GLU 101 9.557 4.640 -11.234 810 H ALA 102 H ALA 102 8.889 2.089 -7.660 811 HA ALA 102 HA ALA 102 10.075 -0.441 -7.655 812 HB1 ALA 102 1HB ALA 102 10.682 1.444 -6.115 813 HB2 ALA 102 2HB ALA 102 10.493 -0.122 -5.311 814 HB3 ALA 102 3HB ALA 102 9.213 1.060 -5.191 815 H MET 103 H MET 103 7.057 0.614 -6.181 816 HA MET 103 HA MET 103 6.293 -1.801 -5.066 817 HB2 MET 103 2HB MET 103 5.275 0.158 -4.280 818 HB3 MET 103 1HB MET 103 4.813 0.668 -5.895 819 HG2 MET 103 2HG MET 103 3.210 -0.843 -6.062 820 HG3 MET 103 1HG MET 103 3.667 -1.791 -4.602 821 HE1 MET 103 3HE MET 103 3.242 2.086 -5.302 822 HE2 MET 103 1HE MET 103 1.566 2.314 -4.818 823 HE3 MET 103 2HE MET 103 1.949 1.293 -6.211 824 H LYS 104 H LYS 104 5.399 -0.379 -8.236 825 HA LYS 104 HA LYS 104 3.725 -2.519 -8.899 826 HB2 LYS 104 2HB LYS 104 3.518 -1.482 -11.068 827 HB3 LYS 104 1HB LYS 104 3.546 -0.252 -9.833 828 HG2 LYS 104 2HG LYS 104 4.703 0.626 -11.543 829 HG3 LYS 104 1HG LYS 104 5.980 0.074 -10.453 830 HD2 LYS 104 2HD LYS 104 6.274 -1.911 -11.895 831 HD3 LYS 104 1HD LYS 104 4.950 -1.286 -12.906 832 HE2 LYS 104 2HE LYS 104 6.206 0.639 -13.482 833 HE3 LYS 104 1HE LYS 104 7.528 0.182 -12.403 834 HZ1 LYS 104 3HZ LYS 104 7.993 -0.294 -14.716 835 HZ2 LYS 104 1HZ LYS 104 6.661 -1.305 -14.836 836 HZ3 LYS 104 2HZ LYS 104 7.967 -1.725 -13.843 837 H SER 105 H SER 105 7.123 -1.914 -9.420 838 HA SER 105 HA SER 105 7.605 -3.998 -11.237 839 HB2 SER 105 2HB SER 105 9.155 -2.104 -10.829 840 HB3 SER 105 1HB SER 105 9.467 -2.725 -9.217 841 HG SER 105 HG SER 105 9.963 -4.200 -11.583 842 H HIS 106 H HIS 106 7.532 -3.870 -7.733 843 HA HIS 106 HA HIS 106 8.528 -6.525 -7.252 844 HB2 HIS 106 2HB HIS 106 8.520 -4.805 -5.478 845 HB3 HIS 106 1HB HIS 106 6.761 -4.818 -5.516 846 HD1 HIS 106 1HD HIS 106 5.793 -6.211 -3.688 847 HD2 HIS 106 2HD HIS 106 9.325 -7.759 -5.149 848 HE1 HIS 106 1HE HIS 106 6.196 -8.144 -2.299 849 HE2 HIS 106 2HE HIS 106 8.511 -8.978 -2.981 850 H CYS 107 H CYS 107 5.289 -5.275 -7.710 851 HA CYS 107 HA CYS 107 3.971 -7.497 -6.755 852 HB2 CYS 107 2HB CYS 107 3.139 -5.586 -8.915 853 HB3 CYS 107 1HB CYS 107 2.053 -6.701 -8.087 854 HG CYS 107 HG CYS 107 3.639 -3.971 -6.818 855 H LEU 108 H LEU 108 5.150 -6.928 -10.088 856 HA LEU 108 HA LEU 108 4.100 -9.271 -11.143 857 HB2 LEU 108 2HB LEU 108 6.380 -7.540 -11.937 858 HB3 LEU 108 1HB LEU 108 5.930 -8.970 -12.834 859 HG LEU 108 HG LEU 108 5.022 -7.124 -13.942 860 HD11 LEU 108 1HD1 LEU 108 2.606 -7.548 -13.864 861 HD12 LEU 108 2HD1 LEU 108 2.850 -8.332 -12.300 862 HD13 LEU 108 3HD1 LEU 108 3.541 -9.056 -13.745 863 HD21 LEU 108 3HD2 LEU 108 3.508 -5.487 -12.916 864 HD22 LEU 108 1HD2 LEU 108 5.131 -5.446 -12.221 865 HD23 LEU 108 2HD2 LEU 108 3.813 -6.226 -11.344 866 H LYS 109 H LYS 109 6.960 -8.739 -9.295 867 HA LYS 109 HA LYS 109 8.441 -10.990 -10.146 868 HB2 LYS 109 2HB LYS 109 8.469 -9.678 -7.436 869 HB3 LYS 109 1HB LYS 109 9.725 -10.713 -8.106 870 HG2 LYS 109 2HG LYS 109 9.986 -9.053 -9.920 871 HG3 LYS 109 1HG LYS 109 8.888 -7.996 -9.057 872 HD2 LYS 109 2HD LYS 109 10.367 -8.030 -7.082 873 HD3 LYS 109 1HD LYS 109 11.511 -9.037 -7.969 874 HE2 LYS 109 2HE LYS 109 11.782 -7.238 -9.627 875 HE3 LYS 109 1HE LYS 109 10.681 -6.225 -8.698 876 HZ1 LYS 109 3HZ LYS 109 13.326 -7.244 -7.793 877 HZ2 LYS 109 1HZ LYS 109 12.274 -6.357 -6.819 878 HZ3 LYS 109 2HZ LYS 109 12.938 -5.655 -8.172 879 H ASN 110 H ASN 110 5.979 -10.585 -7.834 880 HA ASN 110 HA ASN 110 6.144 -13.449 -7.112 881 HB2 ASN 110 2HB ASN 110 4.932 -12.838 -4.994 882 HB3 ASN 110 1HB ASN 110 6.563 -12.192 -5.157 883 HD21 ASN 110 1HD2 ASN 110 6.836 -10.013 -5.511 884 HD22 ASN 110 2HD2 ASN 110 5.576 -8.866 -5.267 885 H GLY 111 H GLY 111 3.984 -11.121 -8.508 886 HA2 GLY 111 2HA GLY 111 2.287 -12.090 -9.944 887 HA3 GLY 111 1HA GLY 111 2.042 -13.327 -8.729 888 H VAL 112 H VAL 112 2.299 -9.982 -7.771 889 HA VAL 112 HA VAL 112 -0.483 -10.068 -6.934 890 HB VAL 112 HB VAL 112 1.747 -8.126 -6.214 891 HG11 VAL 112 1HG1 VAL 112 -0.369 -6.876 -6.400 892 HG12 VAL 112 2HG1 VAL 112 0.147 -7.018 -4.719 893 HG13 VAL 112 3HG1 VAL 112 -1.148 -8.045 -5.334 894 HG21 VAL 112 3HG2 VAL 112 1.370 -8.986 -3.961 895 HG22 VAL 112 1HG2 VAL 112 1.779 -10.287 -5.079 896 HG23 VAL 112 2HG2 VAL 112 0.105 -10.049 -4.576 897 H THR 113 H THR 113 -2.054 -9.154 -7.958 898 HA THR 113 HA THR 113 -1.558 -6.873 -9.756 899 HB THR 113 HB THR 113 -3.389 -7.847 -11.185 900 HG1 THR 113 1HG THR 113 -4.384 -9.490 -10.355 901 HG21 THR 113 3HG2 THR 113 -1.030 -8.040 -11.858 902 HG22 THR 113 1HG2 THR 113 -1.943 -9.465 -12.348 903 HG23 THR 113 2HG2 THR 113 -0.884 -9.534 -10.935 904 H ASP 114 H ASP 114 -2.634 -7.397 -6.892 905 HA ASP 114 HA ASP 114 -4.960 -5.644 -7.248 906 HB2 ASP 114 2HB ASP 114 -4.840 -7.957 -5.279 907 HB3 ASP 114 1HB ASP 114 -6.127 -6.770 -5.385 908 H LEU 115 H LEU 115 -4.672 -3.853 -6.161 909 HA LEU 115 HA LEU 115 -3.134 -3.863 -3.697 910 HB2 LEU 115 2HB LEU 115 -2.624 -2.182 -6.114 911 HB3 LEU 115 1HB LEU 115 -2.176 -1.609 -4.529 912 HG LEU 115 HG LEU 115 -1.208 -4.217 -5.659 913 HD11 LEU 115 1HD1 LEU 115 0.896 -2.968 -6.124 914 HD12 LEU 115 2HD1 LEU 115 0.140 -1.489 -5.537 915 HD13 LEU 115 3HD1 LEU 115 -0.437 -2.240 -7.023 916 HD21 LEU 115 3HD2 LEU 115 0.466 -4.026 -3.911 917 HD22 LEU 115 1HD2 LEU 115 -1.161 -3.955 -3.210 918 HD23 LEU 115 2HD2 LEU 115 -0.220 -2.488 -3.410 919 H SER 116 H SER 116 -3.836 -2.589 -2.230 920 HA SER 116 HA SER 116 -5.972 -0.731 -2.874 921 HB2 SER 116 2HB SER 116 -6.842 -2.762 -1.766 922 HB3 SER 116 1HB SER 116 -5.701 -2.518 -0.442 923 HG SER 116 HG SER 116 -7.742 -0.789 -1.283 924 H MET 117 H MET 117 -5.791 1.240 -1.822 925 HA MET 117 HA MET 117 -3.915 1.685 0.264 926 HB2 MET 117 2HB MET 117 -2.377 3.100 -0.933 927 HB3 MET 117 1HB MET 117 -2.391 1.536 -1.700 928 HG2 MET 117 2HG MET 117 -3.990 2.431 -3.421 929 HG3 MET 117 1HG MET 117 -3.785 4.025 -2.705 930 HE1 MET 117 3HE MET 117 -0.494 1.675 -4.916 931 HE2 MET 117 1HE MET 117 -2.171 1.154 -4.788 932 HE3 MET 117 2HE MET 117 -1.143 1.157 -3.360 933 HA PRO 118 HA PRO 118 -6.624 5.266 0.197 934 HB2 PRO 118 2HB PRO 118 -5.519 6.723 2.158 935 HB3 PRO 118 1HB PRO 118 -6.292 5.179 2.525 936 HG2 PRO 118 2HG PRO 118 -3.398 5.855 2.352 937 HG3 PRO 118 1HG PRO 118 -4.226 4.699 3.408 938 HD2 PRO 118 2HD PRO 118 -2.845 4.093 1.021 939 HD3 PRO 118 1HD PRO 118 -3.925 3.010 1.917 940 H ARG 119 H ARG 119 -5.822 7.911 0.644 941 HA ARG 119 HA ARG 119 -4.347 8.495 -1.718 942 HB2 ARG 119 2HB ARG 119 -5.398 10.294 0.464 943 HB3 ARG 119 1HB ARG 119 -4.484 10.904 -0.911 944 HG2 ARG 119 2HG ARG 119 -6.163 10.135 -2.439 945 HG3 ARG 119 1HG ARG 119 -7.039 9.330 -1.140 946 HD2 ARG 119 2HD ARG 119 -8.078 11.452 -1.791 947 HD3 ARG 119 1HD ARG 119 -7.545 11.445 -0.117 948 HE ARG 119 HE ARG 119 -5.548 12.716 -0.989 949 HH11 ARG 119 1HH1 ARG 119 -8.701 12.923 -2.632 950 HH12 ARG 119 2HH1 ARG 119 -8.537 14.542 -3.087 951 HH21 ARG 119 1HH2 ARG 119 -5.347 15.026 -1.624 952 HH22 ARG 119 2HH2 ARG 119 -6.602 15.753 -2.510 953 H ILE 120 H ILE 120 -2.455 7.440 -1.417 954 HA ILE 120 HA ILE 120 -0.635 8.049 0.691 955 HB ILE 120 HB ILE 120 1.050 6.780 -0.487 956 HG12 ILE 120 2HG1 ILE 120 0.687 7.587 -2.811 957 HG13 ILE 120 1HG1 ILE 120 0.810 5.840 -2.732 958 HG21 ILE 120 1HG2 ILE 120 -0.553 5.489 0.700 959 HG22 ILE 120 2HG2 ILE 120 -0.054 4.619 -0.752 960 HG23 ILE 120 3HG2 ILE 120 -1.615 5.444 -0.708 961 HD11 ILE 120 3HD1 ILE 120 -1.693 7.454 -3.000 962 HD12 ILE 120 1HD1 ILE 120 -1.602 5.692 -2.895 963 HD13 ILE 120 2HD1 ILE 120 -0.887 6.526 -4.286 964 H GLY 121 H GLY 121 -1.276 9.362 -2.393 965 HA2 GLY 121 2HA GLY 121 1.020 11.129 -2.213 966 HA3 GLY 121 1HA GLY 121 0.029 10.878 -3.639 967 H CYS 122 H CYS 122 0.628 13.343 -2.619 968 HA CYS 122 HA CYS 122 -0.302 15.353 -2.221 969 HB2 CYS 122 2HB CYS 122 -2.186 14.507 -3.718 970 HB3 CYS 122 1HB CYS 122 -3.010 13.949 -2.272 971 HG CYS 122 HG CYS 122 -2.337 17.212 -3.089 972 H GLY 123 H GLY 123 -2.210 16.253 -0.444 973 HA2 GLY 123 2HA GLY 123 -2.778 15.966 1.889 974 HA3 GLY 123 1HA GLY 123 -1.334 14.964 2.063 975 H LEU 124 H LEU 124 0.081 16.656 0.266 976 HA LEU 124 HA LEU 124 0.800 18.858 2.053 977 HB2 LEU 124 2HB LEU 124 2.568 17.253 1.387 978 HB3 LEU 124 1HB LEU 124 2.247 17.622 -0.293 979 HG LEU 124 HG LEU 124 2.897 20.006 0.237 980 HD11 LEU 124 1HD1 LEU 124 4.297 20.395 2.162 981 HD12 LEU 124 2HD1 LEU 124 3.988 18.756 2.734 982 HD13 LEU 124 3HD1 LEU 124 2.667 19.922 2.634 983 HD21 LEU 124 3HD2 LEU 124 4.351 18.477 -0.987 984 HD22 LEU 124 1HD2 LEU 124 5.004 17.874 0.536 985 HD23 LEU 124 2HD2 LEU 124 5.276 19.549 0.066 986 H ASP 125 H ASP 125 0.535 20.903 1.307 987 HA ASP 125 HA ASP 125 -1.278 21.581 -0.697 988 HB2 ASP 125 2HB ASP 125 -0.767 23.059 1.136 989 HB3 ASP 125 1HB ASP 125 0.900 23.206 0.606 990 H ARG 126 H ARG 126 2.066 20.924 -0.974 991 HA ARG 126 HA ARG 126 2.496 22.434 -3.362 992 HB2 ARG 126 2HB ARG 126 4.286 20.499 -1.910 993 HB3 ARG 126 1HB ARG 126 4.743 21.223 -3.438 994 HG2 ARG 126 2HG ARG 126 5.771 22.439 -1.611 995 HG3 ARG 126 1HG ARG 126 4.583 23.460 -2.406 996 HD2 ARG 126 2HD ARG 126 2.983 22.963 -0.591 997 HD3 ARG 126 1HD ARG 126 4.208 21.973 0.201 998 HE ARG 126 HE ARG 126 5.275 24.492 -0.280 999 HH11 ARG 126 1HH1 ARG 126 2.774 23.036 1.842 1000 HH12 ARG 126 2HH1 ARG 126 2.950 24.239 3.022 1001 HH21 ARG 126 1HH2 ARG 126 5.439 26.100 1.427 1002 HH22 ARG 126 2HH2 ARG 126 4.451 25.963 2.809 1003 H LEU 127 H LEU 127 0.949 19.453 -2.984 1004 HA LEU 127 HA LEU 127 1.174 19.182 -5.814 1005 HB2 LEU 127 2HB LEU 127 1.451 16.745 -5.832 1006 HB3 LEU 127 1HB LEU 127 2.841 17.599 -5.232 1007 HG LEU 127 HG LEU 127 0.861 16.244 -3.426 1008 HD11 LEU 127 1HD1 LEU 127 2.467 14.382 -3.394 1009 HD12 LEU 127 2HD1 LEU 127 3.466 15.233 -4.584 1010 HD13 LEU 127 3HD1 LEU 127 1.860 14.672 -5.037 1011 HD21 LEU 127 3HD2 LEU 127 2.304 17.951 -2.476 1012 HD22 LEU 127 1HD2 LEU 127 3.711 17.107 -3.110 1013 HD23 LEU 127 2HD2 LEU 127 2.724 16.331 -1.856 1014 H GLN 128 H GLN 128 -0.483 17.949 -6.865 1015 HA GLN 128 HA GLN 128 -2.954 18.067 -5.341 1016 HB2 GLN 128 2HB GLN 128 -2.760 19.709 -7.126 1017 HB3 GLN 128 1HB GLN 128 -2.289 18.455 -8.244 1018 HG2 GLN 128 2HG GLN 128 -4.360 17.470 -8.193 1019 HG3 GLN 128 1HG GLN 128 -4.926 18.514 -6.880 1020 HE21 GLN 128 1HE2 GLN 128 -4.130 18.374 -10.296 1021 HE22 GLN 128 2HE2 GLN 128 -4.912 19.835 -10.721 1022 H TRP 129 H TRP 129 -4.400 16.310 -5.470 1023 HA TRP 129 HA TRP 129 -3.254 13.774 -5.813 1024 HB2 TRP 129 2HB TRP 129 -5.070 14.008 -4.237 1025 HB3 TRP 129 1HB TRP 129 -6.171 14.513 -5.519 1026 HD1 TRP 129 HD TRP 129 -7.503 12.640 -6.722 1027 HE1 TRP 129 1HE TRP 129 -7.462 10.061 -6.706 1028 HE3 TRP 129 3HE TRP 129 -3.312 11.894 -3.895 1029 HZ2 TRP 129 2HZ TRP 129 -5.893 8.003 -5.635 1030 HZ3 TRP 129 3HZ TRP 129 -2.615 9.588 -3.428 1031 HH2 TRP 129 HH TRP 129 -3.879 7.681 -4.279 1032 H GLU 130 H GLU 130 -5.349 15.601 -7.970 1033 HA GLU 130 HA GLU 130 -5.902 13.666 -9.881 1034 HB2 GLU 130 2HB GLU 130 -6.840 15.898 -9.936 1035 HB3 GLU 130 1HB GLU 130 -5.260 16.590 -10.265 1036 HG2 GLU 130 2HG GLU 130 -5.237 15.497 -12.429 1037 HG3 GLU 130 1HG GLU 130 -6.797 14.754 -12.085 1038 H ASN 131 H ASN 131 -3.087 15.721 -9.555 1039 HA ASN 131 HA ASN 131 -1.663 14.892 -11.811 1040 HB2 ASN 131 2HB ASN 131 -0.677 15.997 -9.175 1041 HB3 ASN 131 1HB ASN 131 0.272 15.915 -10.648 1042 HD21 ASN 131 1HD2 ASN 131 0.543 18.157 -10.633 1043 HD22 ASN 131 2HD2 ASN 131 -0.744 19.222 -11.069 1044 H VAL 132 H VAL 132 -1.734 13.841 -8.472 1045 HA VAL 132 HA VAL 132 0.305 11.911 -8.616 1046 HB VAL 132 HB VAL 132 -2.103 11.988 -6.771 1047 HG11 VAL 132 1HG1 VAL 132 -1.074 9.767 -6.915 1048 HG12 VAL 132 2HG1 VAL 132 -0.857 10.481 -5.322 1049 HG13 VAL 132 3HG1 VAL 132 0.484 10.450 -6.478 1050 HG21 VAL 132 3HG2 VAL 132 -0.541 12.960 -5.140 1051 HG22 VAL 132 1HG2 VAL 132 -0.705 13.972 -6.576 1052 HG23 VAL 132 2HG2 VAL 132 0.725 12.962 -6.366 1053 H SER 133 H SER 133 -3.234 11.580 -8.882 1054 HA SER 133 HA SER 133 -3.421 8.872 -9.328 1055 HB2 SER 133 2HB SER 133 -5.385 10.246 -8.947 1056 HB3 SER 133 1HB SER 133 -5.134 11.126 -10.442 1057 HG SER 133 HG SER 133 -5.323 8.832 -11.401 1058 H ALA 134 H ALA 134 -3.093 11.464 -11.753 1059 HA ALA 134 HA ALA 134 -3.041 9.862 -14.025 1060 HB1 ALA 134 1HB ALA 134 -3.270 12.292 -14.100 1061 HB2 ALA 134 2HB ALA 134 -1.921 11.754 -15.106 1062 HB3 ALA 134 3HB ALA 134 -1.608 12.468 -13.527 1063 H MET 135 H MET 135 -0.371 11.065 -12.081 1064 HA MET 135 HA MET 135 1.745 9.886 -13.448 1065 HB2 MET 135 2HB MET 135 2.016 11.672 -11.819 1066 HB3 MET 135 1HB MET 135 1.501 10.596 -10.534 1067 HG2 MET 135 2HG MET 135 3.467 9.268 -10.766 1068 HG3 MET 135 1HG MET 135 3.982 10.184 -12.191 1069 HE1 MET 135 3HE MET 135 3.842 11.932 -7.924 1070 HE2 MET 135 1HE MET 135 3.427 10.255 -8.290 1071 HE3 MET 135 2HE MET 135 2.376 11.570 -8.831 1072 H ILE 136 H ILE 136 -0.231 8.601 -10.797 1073 HA ILE 136 HA ILE 136 1.205 6.208 -10.395 1074 HB ILE 136 HB ILE 136 -1.747 6.804 -10.004 1075 HG12 ILE 136 2HG1 ILE 136 0.537 6.664 -8.021 1076 HG13 ILE 136 1HG1 ILE 136 -0.224 8.133 -8.609 1077 HG21 ILE 136 1HG2 ILE 136 -1.846 4.805 -8.571 1078 HG22 ILE 136 2HG2 ILE 136 -0.200 4.396 -9.046 1079 HG23 ILE 136 3HG2 ILE 136 -1.485 4.405 -10.251 1080 HD11 ILE 136 3HD1 ILE 136 -1.563 5.989 -6.971 1081 HD12 ILE 136 1HD1 ILE 136 -2.316 7.477 -7.553 1082 HD13 ILE 136 2HD1 ILE 136 -0.999 7.558 -6.385 1083 H GLU 137 H GLU 137 -1.413 7.066 -12.537 1084 HA GLU 137 HA GLU 137 -1.724 4.528 -13.721 1085 HB2 GLU 137 2HB GLU 137 -2.460 7.271 -14.784 1086 HB3 GLU 137 1HB GLU 137 -3.049 5.741 -15.428 1087 HG2 GLU 137 2HG GLU 137 -4.122 5.238 -13.288 1088 HG3 GLU 137 1HG GLU 137 -3.514 6.743 -12.626 1089 H GLU 138 H GLU 138 0.434 7.207 -14.342 1090 HA GLU 138 HA GLU 138 1.448 6.261 -16.858 1091 HB2 GLU 138 2HB GLU 138 2.805 8.090 -14.859 1092 HB3 GLU 138 1HB GLU 138 3.242 7.896 -16.547 1093 HG2 GLU 138 2HG GLU 138 1.005 8.846 -17.149 1094 HG3 GLU 138 1HG GLU 138 0.749 9.135 -15.428 1095 H VAL 139 H VAL 139 2.243 5.757 -13.510 1096 HA VAL 139 HA VAL 139 4.654 4.345 -14.042 1097 HB VAL 139 HB VAL 139 2.954 4.462 -11.532 1098 HG11 VAL 139 1HG1 VAL 139 4.151 2.372 -11.612 1099 HG12 VAL 139 2HG1 VAL 139 4.888 3.421 -10.400 1100 HG13 VAL 139 3HG1 VAL 139 5.659 3.204 -11.972 1101 HG21 VAL 139 3HG2 VAL 139 4.790 5.882 -10.680 1102 HG22 VAL 139 1HG2 VAL 139 4.059 6.576 -12.125 1103 HG23 VAL 139 2HG2 VAL 139 5.615 5.756 -12.221 1104 H PHE 140 H PHE 140 1.391 3.358 -13.204 1105 HA PHE 140 HA PHE 140 2.001 0.606 -13.347 1106 HB2 PHE 140 2HB PHE 140 -0.489 2.076 -12.804 1107 HB3 PHE 140 1HB PHE 140 -0.593 0.382 -13.278 1108 HD1 PHE 140 2HD PHE 140 0.398 -1.357 -11.906 1109 HD2 PHE 140 1HD PHE 140 0.396 2.718 -10.659 1110 HE1 PHE 140 2HE PHE 140 0.828 -2.056 -9.606 1111 HE2 PHE 140 1HE PHE 140 0.854 1.986 -8.345 1112 HZ PHE 140 HZ PHE 140 1.048 -0.481 -7.868 1113 H GLU 141 H GLU 141 1.273 2.693 -15.897 1114 HA GLU 141 HA GLU 141 -0.180 1.007 -17.533 1115 HB2 GLU 141 2HB GLU 141 0.833 2.175 -19.442 1116 HB3 GLU 141 1HB GLU 141 0.287 3.283 -18.192 1117 HG2 GLU 141 2HG GLU 141 2.531 3.596 -17.439 1118 HG3 GLU 141 1HG GLU 141 3.107 2.394 -18.599 1119 H ALA 142 H ALA 142 0.403 -0.437 -19.182 1120 HA ALA 142 HA ALA 142 1.386 -2.190 -20.108 1121 HB1 ALA 142 1HB ALA 142 3.769 -2.679 -19.967 1122 HB2 ALA 142 2HB ALA 142 3.939 -1.570 -18.607 1123 HB3 ALA 142 3HB ALA 142 3.536 -0.946 -20.206 1124 H THR 143 H THR 143 1.745 -1.862 -16.645 1125 HA THR 143 HA THR 143 1.534 -4.772 -16.346 1126 HB THR 143 HB THR 143 1.710 -4.412 -13.934 1127 HG1 THR 143 1HG THR 143 1.048 -1.758 -14.617 1128 HG21 THR 143 3HG2 THR 143 3.577 -2.488 -15.310 1129 HG22 THR 143 1HG2 THR 143 3.863 -4.230 -15.092 1130 HG23 THR 143 2HG2 THR 143 3.769 -3.151 -13.693 1131 H ASP 144 H ASP 144 -0.367 -5.547 -14.861 1132 HA ASP 144 HA ASP 144 -2.533 -3.635 -15.026 1133 HB2 ASP 144 2HB ASP 144 -2.826 -5.267 -16.895 1134 HB3 ASP 144 1HB ASP 144 -2.948 -6.551 -15.695 1135 H ILE 145 H ILE 145 -1.992 -3.208 -12.963 1136 HA ILE 145 HA ILE 145 -2.808 -5.247 -11.056 1137 HB ILE 145 HB ILE 145 -0.955 -2.836 -10.515 1138 HG12 ILE 145 2HG1 ILE 145 -0.288 -5.787 -10.766 1139 HG13 ILE 145 1HG1 ILE 145 -0.040 -4.621 -12.050 1140 HG21 ILE 145 1HG2 ILE 145 -1.725 -5.139 -8.772 1141 HG22 ILE 145 2HG2 ILE 145 -2.242 -3.466 -8.591 1142 HG23 ILE 145 3HG2 ILE 145 -0.539 -3.888 -8.413 1143 HD11 ILE 145 3HD1 ILE 145 1.216 -4.477 -9.336 1144 HD12 ILE 145 1HD1 ILE 145 1.556 -3.437 -10.721 1145 HD13 ILE 145 2HD1 ILE 145 1.979 -5.151 -10.781 1146 H LYS 146 H LYS 146 -4.576 -4.860 -9.964 1147 HA LYS 146 HA LYS 146 -6.201 -2.571 -10.634 1148 HB2 LYS 146 2HB LYS 146 -6.721 -4.892 -8.772 1149 HB3 LYS 146 1HB LYS 146 -7.911 -3.758 -9.387 1150 HG2 LYS 146 2HG LYS 146 -6.333 -5.679 -11.079 1151 HG3 LYS 146 1HG LYS 146 -7.969 -5.967 -10.498 1152 HD2 LYS 146 2HD LYS 146 -8.722 -3.978 -11.725 1153 HD3 LYS 146 1HD LYS 146 -7.074 -3.744 -12.320 1154 HE2 LYS 146 2HE LYS 146 -7.143 -5.872 -13.463 1155 HE3 LYS 146 1HE LYS 146 -8.732 -6.220 -12.783 1156 HZ1 LYS 146 3HZ LYS 146 -8.091 -4.025 -14.674 1157 HZ2 LYS 146 1HZ LYS 146 -9.593 -4.310 -13.980 1158 HZ3 LYS 146 2HZ LYS 146 -8.916 -5.455 -15.034 1159 H ILE 147 H ILE 147 -6.106 -0.751 -9.417 1160 HA ILE 147 HA ILE 147 -5.198 -1.025 -6.653 1161 HB ILE 147 HB ILE 147 -5.323 1.421 -8.434 1162 HG12 ILE 147 2HG1 ILE 147 -2.910 -0.150 -7.523 1163 HG13 ILE 147 1HG1 ILE 147 -3.644 -0.286 -9.117 1164 HG21 ILE 147 1HG2 ILE 147 -5.576 1.978 -6.073 1165 HG22 ILE 147 2HG2 ILE 147 -3.996 2.502 -6.656 1166 HG23 ILE 147 3HG2 ILE 147 -4.137 1.042 -5.676 1167 HD11 ILE 147 3HD1 ILE 147 -1.687 1.118 -9.126 1168 HD12 ILE 147 1HD1 ILE 147 -2.433 2.199 -7.944 1169 HD13 ILE 147 2HD1 ILE 147 -3.132 2.020 -9.568 1170 H THR 148 H THR 148 -6.785 -0.953 -5.254 1171 HA THR 148 HA THR 148 -9.166 0.554 -5.991 1172 HB THR 148 HB THR 148 -9.062 -1.780 -4.062 1173 HG1 THR 148 1HG THR 148 -8.796 -2.798 -5.901 1174 HG21 THR 148 3HG2 THR 148 -11.352 -0.386 -5.469 1175 HG22 THR 148 1HG2 THR 148 -10.946 -0.216 -3.760 1176 HG23 THR 148 2HG2 THR 148 -11.498 -1.769 -4.384 1177 H VAL 149 H VAL 149 -9.354 2.330 -4.926 1178 HA VAL 149 HA VAL 149 -8.024 2.678 -2.362 1179 HB VAL 149 HB VAL 149 -9.172 4.697 -4.330 1180 HG11 VAL 149 1HG1 VAL 149 -9.302 5.532 -2.033 1181 HG12 VAL 149 2HG1 VAL 149 -8.089 6.398 -2.981 1182 HG13 VAL 149 3HG1 VAL 149 -7.582 5.177 -1.811 1183 HG21 VAL 149 3HG2 VAL 149 -7.158 3.599 -5.142 1184 HG22 VAL 149 1HG2 VAL 149 -6.310 4.028 -3.661 1185 HG23 VAL 149 2HG2 VAL 149 -6.846 5.298 -4.767 1186 H TYR 150 H TYR 150 -9.310 2.262 -0.739 1187 HA TYR 150 HA TYR 150 -12.171 2.637 -1.055 1188 HB2 TYR 150 2HB TYR 150 -10.655 1.397 1.261 1189 HB3 TYR 150 1HB TYR 150 -12.391 1.459 1.090 1190 HD1 TYR 150 1HD TYR 150 -9.346 0.030 -0.468 1191 HD2 TYR 150 2HD TYR 150 -13.559 -0.297 -0.039 1192 HE1 TYR 150 1HE TYR 150 -9.261 -2.124 -1.560 1193 HE2 TYR 150 2HE TYR 150 -13.491 -2.493 -1.169 1194 HH TYR 150 HH TYR 150 -10.444 -4.092 -1.902 1195 H THR 151 H THR 151 -12.894 4.494 -0.598 1196 HA THR 151 HA THR 151 -11.461 6.243 1.224 1197 HB THR 151 HB THR 151 -12.974 7.998 0.288 1198 HG1 THR 151 1HG THR 151 -14.397 6.017 -0.454 1199 HG21 THR 151 3HG2 THR 151 -10.743 7.607 -0.647 1200 HG22 THR 151 1HG2 THR 151 -11.872 8.081 -1.920 1201 HG23 THR 151 2HG2 THR 151 -11.405 6.389 -1.738 1202 H LEU 152 H LEU 152 -12.178 6.494 3.233 1203 HA LEU 152 HA LEU 152 -15.021 6.272 3.732 1204 HB2 LEU 152 2HB LEU 152 -13.943 4.075 4.257 1205 HB3 LEU 152 1HB LEU 152 -12.924 4.899 5.417 1206 HG LEU 152 HG LEU 152 -14.932 5.524 6.712 1207 HD11 LEU 152 1HD1 LEU 152 -16.570 5.536 4.915 1208 HD12 LEU 152 2HD1 LEU 152 -17.074 4.424 6.183 1209 HD13 LEU 152 3HD1 LEU 152 -16.372 3.802 4.693 1210 HD21 LEU 152 3HD2 LEU 152 -13.668 3.509 7.273 1211 HD22 LEU 152 1HD2 LEU 152 -14.659 2.580 6.142 1212 HD23 LEU 152 2HD2 LEU 152 -15.390 3.283 7.582 Start of MODEL 17 1 H GLU 1 H GLU 1 -18.517 -27.592 2.739 2 HA GLU 1 HA GLU 1 -19.845 -26.056 0.703 3 HB2 GLU 1 2HB GLU 1 -20.520 -25.975 3.106 4 HB3 GLU 1 1HB GLU 1 -18.961 -25.266 3.482 5 HG2 GLU 1 2HG GLU 1 -19.529 -23.357 2.027 6 HG3 GLU 1 1HG GLU 1 -21.130 -24.061 1.790 7 H ALA 2 H ALA 2 -18.100 -26.056 -0.751 8 HA ALA 2 HA ALA 2 -15.912 -24.293 0.045 9 HB1 ALA 2 1HB ALA 2 -14.586 -25.295 -1.746 10 HB2 ALA 2 2HB ALA 2 -15.935 -26.347 -2.167 11 HB3 ALA 2 3HB ALA 2 -15.134 -26.523 -0.604 12 H SER 3 H SER 3 -17.005 -22.471 -0.327 13 HA SER 3 HA SER 3 -18.134 -22.000 -2.919 14 HB2 SER 3 2HB SER 3 -18.811 -19.827 -1.850 15 HB3 SER 3 1HB SER 3 -19.460 -21.269 -1.068 16 HG SER 3 HG SER 3 -18.492 -19.535 0.265 17 H SER 4 H SER 4 -17.117 -20.961 -4.463 18 HA SER 4 HA SER 4 -14.528 -19.860 -3.896 19 HB2 SER 4 2HB SER 4 -14.403 -19.721 -6.400 20 HB3 SER 4 1HB SER 4 -14.633 -21.351 -5.769 21 HG SER 4 HG SER 4 -16.142 -19.929 -7.439 22 H LEU 5 H LEU 5 -14.757 -17.856 -3.016 23 HA LEU 5 HA LEU 5 -16.407 -16.081 -4.588 24 HB2 LEU 5 2HB LEU 5 -17.213 -14.867 -2.677 25 HB3 LEU 5 1HB LEU 5 -17.669 -16.545 -2.574 26 HG LEU 5 HG LEU 5 -15.466 -15.237 -0.971 27 HD11 LEU 5 1HD1 LEU 5 -18.270 -16.023 -0.221 28 HD12 LEU 5 2HD1 LEU 5 -17.655 -14.376 -0.396 29 HD13 LEU 5 3HD1 LEU 5 -17.042 -15.416 0.888 30 HD21 LEU 5 3HD2 LEU 5 -16.746 -17.965 -0.715 31 HD22 LEU 5 1HD2 LEU 5 -15.556 -17.276 0.397 32 HD23 LEU 5 2HD2 LEU 5 -15.106 -17.640 -1.268 33 H ASN 6 H ASN 6 -15.745 -14.207 -5.036 34 HA ASN 6 HA ASN 6 -13.381 -13.050 -3.842 35 HB2 ASN 6 2HB ASN 6 -12.572 -14.460 -5.748 36 HB3 ASN 6 1HB ASN 6 -13.715 -13.653 -6.806 37 HD21 ASN 6 1HD2 ASN 6 -13.247 -11.598 -7.557 38 HD22 ASN 6 2HD2 ASN 6 -11.696 -10.882 -7.369 39 H GLU 7 H GLU 7 -13.985 -10.945 -3.538 40 HA GLU 7 HA GLU 7 -16.525 -10.233 -4.540 41 HB2 GLU 7 2HB GLU 7 -16.326 -8.116 -3.367 42 HB3 GLU 7 1HB GLU 7 -15.889 -9.454 -2.333 43 HG2 GLU 7 2HG GLU 7 -13.486 -8.900 -2.801 44 HG3 GLU 7 1HG GLU 7 -14.102 -7.471 -3.645 45 H ASP 8 H ASP 8 -17.118 -8.504 -5.776 46 HA ASP 8 HA ASP 8 -15.537 -8.618 -8.204 47 HB2 ASP 8 2HB ASP 8 -18.406 -7.786 -7.765 48 HB3 ASP 8 1HB ASP 8 -17.607 -7.848 -9.330 49 HA PRO 9 HA PRO 9 -14.787 -4.244 -7.769 50 HB2 PRO 9 2HB PRO 9 -12.394 -4.213 -8.921 51 HB3 PRO 9 1HB PRO 9 -12.606 -4.933 -7.319 52 HG2 PRO 9 2HG PRO 9 -12.192 -6.274 -9.940 53 HG3 PRO 9 1HG PRO 9 -11.742 -6.814 -8.316 54 HD2 PRO 9 2HD PRO 9 -14.057 -7.567 -9.825 55 HD3 PRO 9 1HD PRO 9 -13.632 -8.030 -8.162 56 H GLU 10 H GLU 10 -13.801 -2.715 -9.646 57 HA GLU 10 HA GLU 10 -15.376 -3.200 -12.031 58 HB2 GLU 10 2HB GLU 10 -15.331 -0.940 -10.907 59 HB3 GLU 10 1HB GLU 10 -13.638 -0.814 -11.307 60 HG2 GLU 10 2HG GLU 10 -15.838 -1.023 -13.366 61 HG3 GLU 10 1HG GLU 10 -15.222 0.502 -12.755 62 H GLY 11 H GLY 11 -12.163 -1.925 -11.828 63 HA2 GLY 11 2HA GLY 11 -10.322 -3.568 -12.524 64 HA3 GLY 11 1HA GLY 11 -11.379 -3.891 -13.893 65 H SER 12 H SER 12 -10.096 -0.997 -12.286 66 HA SER 12 HA SER 12 -9.155 -0.051 -14.897 67 HB2 SER 12 2HB SER 12 -11.101 1.268 -14.012 68 HB3 SER 12 1HB SER 12 -10.193 1.575 -12.536 69 HG SER 12 HG SER 12 -9.854 2.618 -15.109 70 H ARG 13 H ARG 13 -7.556 1.968 -14.009 71 HA ARG 13 HA ARG 13 -5.363 0.589 -12.764 72 HB2 ARG 13 2HB ARG 13 -5.716 3.556 -13.323 73 HB3 ARG 13 1HB ARG 13 -4.221 2.816 -12.770 74 HG2 ARG 13 2HG ARG 13 -5.615 2.203 -15.362 75 HG3 ARG 13 1HG ARG 13 -4.220 3.271 -15.175 76 HD2 ARG 13 2HD ARG 13 -2.845 1.529 -14.483 77 HD3 ARG 13 1HD ARG 13 -4.139 0.374 -14.285 78 HE ARG 13 HE ARG 13 -3.273 1.519 -16.884 79 HH11 ARG 13 1HH1 ARG 13 -4.485 -1.287 -15.017 80 HH12 ARG 13 2HH1 ARG 13 -4.435 -2.346 -16.328 81 HH21 ARG 13 1HH2 ARG 13 -3.178 0.053 -18.652 82 HH22 ARG 13 2HH2 ARG 13 -3.648 -1.579 -18.452 83 H ILE 14 H ILE 14 -7.083 3.519 -11.779 84 HA ILE 14 HA ILE 14 -6.887 2.542 -9.018 85 HB ILE 14 HB ILE 14 -7.496 5.307 -10.043 86 HG12 ILE 14 2HG1 ILE 14 -4.953 4.289 -8.759 87 HG13 ILE 14 1HG1 ILE 14 -5.134 4.695 -10.466 88 HG21 ILE 14 1HG2 ILE 14 -8.534 4.831 -7.904 89 HG22 ILE 14 2HG2 ILE 14 -7.216 5.982 -7.683 90 HG23 ILE 14 3HG2 ILE 14 -6.989 4.284 -7.256 91 HD11 ILE 14 3HD1 ILE 14 -5.362 6.601 -8.139 92 HD12 ILE 14 1HD1 ILE 14 -5.559 7.027 -9.836 93 HD13 ILE 14 2HD1 ILE 14 -4.001 6.469 -9.244 94 H THR 15 H THR 15 -8.647 1.798 -8.252 95 HA THR 15 HA THR 15 -11.217 2.675 -9.379 96 HB THR 15 HB THR 15 -10.605 0.108 -7.896 97 HG1 THR 15 1HG THR 15 -9.869 0.765 -10.237 98 HG21 THR 15 3HG2 THR 15 -12.960 0.822 -7.785 99 HG22 THR 15 1HG2 THR 15 -12.793 -0.622 -8.781 100 HG23 THR 15 2HG2 THR 15 -13.008 0.951 -9.544 101 H TYR 16 H TYR 16 -12.342 3.902 -8.006 102 HA TYR 16 HA TYR 16 -11.434 4.109 -5.238 103 HB2 TYR 16 2HB TYR 16 -13.378 5.836 -6.775 104 HB3 TYR 16 1HB TYR 16 -12.813 6.134 -5.136 105 HD1 TYR 16 2HD TYR 16 -10.315 6.543 -4.799 106 HD2 TYR 16 1HD TYR 16 -12.191 6.643 -8.613 107 HE1 TYR 16 2HE TYR 16 -8.438 7.825 -5.689 108 HE2 TYR 16 1HE TYR 16 -10.306 7.921 -9.518 109 HH TYR 16 HH TYR 16 -7.397 8.176 -7.931 110 H VAL 17 H VAL 17 -12.435 3.092 -3.712 111 HA VAL 17 HA VAL 17 -15.312 2.587 -3.972 112 HB VAL 17 HB VAL 17 -13.307 0.589 -2.869 113 HG11 VAL 17 1HG1 VAL 17 -15.186 -0.971 -2.831 114 HG12 VAL 17 2HG1 VAL 17 -16.262 0.321 -3.361 115 HG13 VAL 17 3HG1 VAL 17 -15.459 0.429 -1.795 116 HG21 VAL 17 3HG2 VAL 17 -13.814 -0.816 -4.803 117 HG22 VAL 17 1HG2 VAL 17 -13.061 0.710 -5.275 118 HG23 VAL 17 2HG2 VAL 17 -14.803 0.481 -5.484 119 H LYS 18 H LYS 18 -16.374 3.029 -2.064 120 HA LYS 18 HA LYS 18 -14.747 3.910 0.111 121 HB2 LYS 18 2HB LYS 18 -16.944 4.446 1.245 122 HB3 LYS 18 1HB LYS 18 -16.655 5.303 -0.252 123 HG2 LYS 18 2HG LYS 18 -18.940 4.708 -0.232 124 HG3 LYS 18 1HG LYS 18 -18.148 3.607 -1.361 125 HD2 LYS 18 2HD LYS 18 -18.120 1.881 0.396 126 HD3 LYS 18 1HD LYS 18 -18.954 2.997 1.480 127 HE2 LYS 18 2HE LYS 18 -20.844 3.085 -0.071 128 HE3 LYS 18 1HE LYS 18 -20.011 1.970 -1.152 129 HZ1 LYS 18 3HZ LYS 18 -20.918 1.399 1.608 130 HZ2 LYS 18 1HZ LYS 18 -20.082 0.297 0.638 131 HZ3 LYS 18 2HZ LYS 18 -21.625 0.836 0.207 132 H GLY 19 H GLY 19 -14.480 2.978 2.053 133 HA2 GLY 19 2HA GLY 19 -15.698 0.778 3.133 134 HA3 GLY 19 1HA GLY 19 -14.559 0.119 1.960 135 H ASP 20 H ASP 20 -13.010 -0.766 3.272 136 HA ASP 20 HA ASP 20 -11.445 1.112 4.875 137 HB2 ASP 20 2HB ASP 20 -13.232 0.051 6.365 138 HB3 ASP 20 1HB ASP 20 -12.456 -1.487 6.047 139 H LEU 21 H LEU 21 -9.349 0.109 5.494 140 HA LEU 21 HA LEU 21 -8.475 -1.649 3.359 141 HB2 LEU 21 2HB LEU 21 -6.991 0.106 5.218 142 HB3 LEU 21 1HB LEU 21 -6.205 -1.022 4.121 143 HG LEU 21 HG LEU 21 -8.039 1.210 3.273 144 HD11 LEU 21 1HD1 LEU 21 -5.973 2.114 2.374 145 HD12 LEU 21 2HD1 LEU 21 -5.114 0.806 3.242 146 HD13 LEU 21 3HD1 LEU 21 -6.046 2.027 4.140 147 HD21 LEU 21 3HD2 LEU 21 -8.124 -0.664 1.756 148 HD22 LEU 21 1HD2 LEU 21 -6.361 -0.730 1.692 149 HD23 LEU 21 2HD2 LEU 21 -7.224 0.664 1.035 150 H PHE 22 H PHE 22 -9.127 -1.840 6.683 151 HA PHE 22 HA PHE 22 -7.533 -4.261 6.869 152 HB2 PHE 22 2HB PHE 22 -9.304 -2.878 8.896 153 HB3 PHE 22 1HB PHE 22 -8.605 -4.464 9.187 154 HD1 PHE 22 1HD PHE 22 -6.047 -4.648 8.972 155 HD2 PHE 22 2HD PHE 22 -8.062 -0.913 9.539 156 HE1 PHE 22 1HE PHE 22 -3.988 -3.636 9.837 157 HE2 PHE 22 2HE PHE 22 -6.019 0.055 10.372 158 HZ PHE 22 HZ PHE 22 -3.972 -1.286 10.534 159 H ALA 23 H ALA 23 -10.471 -3.278 5.774 160 HA ALA 23 HA ALA 23 -11.603 -5.971 6.007 161 HB1 ALA 23 1HB ALA 23 -12.993 -4.159 6.922 162 HB2 ALA 23 2HB ALA 23 -13.755 -4.963 5.548 163 HB3 ALA 23 3HB ALA 23 -12.999 -3.389 5.333 164 H CYS 24 H CYS 24 -9.662 -4.468 3.938 165 HA CYS 24 HA CYS 24 -11.200 -4.879 1.544 166 HB2 CYS 24 2HB CYS 24 -9.185 -4.151 0.309 167 HB3 CYS 24 1HB CYS 24 -9.605 -3.016 1.578 168 HG CYS 24 HG CYS 24 -6.781 -3.573 1.012 169 HA PRO 25 HA PRO 25 -10.496 -9.078 0.628 170 HB2 PRO 25 2HB PRO 25 -9.587 -8.892 -2.001 171 HB3 PRO 25 1HB PRO 25 -11.275 -8.952 -1.486 172 HG2 PRO 25 2HG PRO 25 -9.589 -6.583 -2.161 173 HG3 PRO 25 1HG PRO 25 -11.290 -6.903 -2.548 174 HD2 PRO 25 2HD PRO 25 -10.669 -5.236 -0.602 175 HD3 PRO 25 1HD PRO 25 -12.001 -6.393 -0.405 176 H LYS 26 H LYS 26 -8.979 -10.590 0.697 177 HA LYS 26 HA LYS 26 -6.292 -9.834 1.308 178 HB2 LYS 26 2HB LYS 26 -7.447 -12.610 0.931 179 HB3 LYS 26 1HB LYS 26 -5.875 -12.241 1.604 180 HG2 LYS 26 2HG LYS 26 -7.251 -12.773 3.437 181 HG3 LYS 26 1HG LYS 26 -7.087 -11.007 3.411 182 HD2 LYS 26 2HD LYS 26 -9.288 -10.779 2.434 183 HD3 LYS 26 1HD LYS 26 -9.450 -12.534 2.320 184 HE2 LYS 26 2HE LYS 26 -9.351 -12.679 4.766 185 HE3 LYS 26 1HE LYS 26 -9.204 -10.920 4.852 186 HZ1 LYS 26 3HZ LYS 26 -11.490 -11.656 5.215 187 HZ2 LYS 26 1HZ LYS 26 -11.506 -12.384 3.696 188 HZ3 LYS 26 2HZ LYS 26 -11.357 -10.718 3.819 189 H THR 27 H THR 27 -8.013 -10.636 -1.470 190 HA THR 27 HA THR 27 -6.045 -11.877 -3.028 191 HB THR 27 HB THR 27 -8.527 -10.320 -3.762 192 HG1 THR 27 1HG THR 27 -8.204 -13.096 -3.255 193 HG21 THR 27 3HG2 THR 27 -8.552 -11.763 -5.695 194 HG22 THR 27 1HG2 THR 27 -7.062 -12.544 -5.108 195 HG23 THR 27 2HG2 THR 27 -7.044 -10.833 -5.600 196 H ASP 28 H ASP 28 -6.639 -8.637 -2.027 197 HA ASP 28 HA ASP 28 -4.947 -7.523 -4.155 198 HB2 ASP 28 2HB ASP 28 -6.951 -6.208 -2.290 199 HB3 ASP 28 1HB ASP 28 -5.832 -5.305 -3.293 200 H SER 29 H SER 29 -2.900 -6.979 -3.535 201 HA SER 29 HA SER 29 -2.229 -7.267 -0.774 202 HB2 SER 29 2HB SER 29 -0.578 -6.274 -3.122 203 HB3 SER 29 1HB SER 29 0.055 -6.506 -1.490 204 HG SER 29 HG SER 29 -1.242 -8.570 -2.932 205 H LEU 30 H LEU 30 -0.944 -5.323 0.318 206 HA LEU 30 HA LEU 30 -2.772 -3.063 -0.165 207 HB2 LEU 30 2HB LEU 30 -2.941 -4.729 1.960 208 HB3 LEU 30 1HB LEU 30 -1.705 -3.655 2.531 209 HG LEU 30 HG LEU 30 -4.467 -2.791 1.710 210 HD11 LEU 30 1HD1 LEU 30 -4.588 -4.174 3.613 211 HD12 LEU 30 2HD1 LEU 30 -4.769 -2.491 4.152 212 HD13 LEU 30 3HD1 LEU 30 -3.229 -3.344 4.347 213 HD21 LEU 30 3HD2 LEU 30 -2.249 -1.285 3.104 214 HD22 LEU 30 1HD2 LEU 30 -3.901 -0.707 2.868 215 HD23 LEU 30 2HD2 LEU 30 -2.867 -1.000 1.472 216 H ALA 31 H ALA 31 -1.832 -1.087 -0.054 217 HA ALA 31 HA ALA 31 1.048 -0.970 0.509 218 HB1 ALA 31 1HB ALA 31 -0.329 0.247 -1.876 219 HB2 ALA 31 2HB ALA 31 0.727 -1.163 -1.913 220 HB3 ALA 31 3HB ALA 31 1.382 0.420 -1.488 221 H HIS 32 H HIS 32 1.834 1.216 0.924 222 HA HIS 32 HA HIS 32 -0.124 3.270 1.672 223 HB2 HIS 32 2HB HIS 32 1.965 2.268 3.619 224 HB3 HIS 32 1HB HIS 32 0.721 3.486 3.876 225 HD1 HIS 32 1HD HIS 32 1.456 -0.057 4.268 226 HD2 HIS 32 2HD HIS 32 -1.922 2.334 4.082 227 HE1 HIS 32 1HE HIS 32 -0.379 -1.435 5.261 228 HE2 HIS 32 2HE HIS 32 -2.452 -0.044 4.937 229 H CYS 33 H CYS 33 1.197 5.289 2.317 230 HA CYS 33 HA CYS 33 3.915 5.142 1.228 231 HB2 CYS 33 2HB CYS 33 3.678 7.579 0.793 232 HB3 CYS 33 1HB CYS 33 2.483 6.640 -0.095 233 HG CYS 33 HG CYS 33 1.629 7.908 2.908 234 H ILE 34 H ILE 34 5.576 5.734 2.605 235 HA ILE 34 HA ILE 34 4.916 6.986 5.139 236 HB ILE 34 HB ILE 34 6.057 5.288 6.518 237 HG12 ILE 34 2HG1 ILE 34 6.316 3.630 4.021 238 HG13 ILE 34 1HG1 ILE 34 7.614 4.590 4.717 239 HG21 ILE 34 1HG2 ILE 34 3.709 5.017 6.266 240 HG22 ILE 34 2HG2 ILE 34 4.522 3.461 6.414 241 HG23 ILE 34 3HG2 ILE 34 3.955 4.019 4.834 242 HD11 ILE 34 3HD1 ILE 34 6.209 2.325 6.117 243 HD12 ILE 34 1HD1 ILE 34 7.535 3.291 6.762 244 HD13 ILE 34 2HD1 ILE 34 7.805 2.250 5.365 245 H SER 35 H SER 35 6.999 7.362 6.377 246 HA SER 35 HA SER 35 9.007 8.269 4.548 247 HB2 SER 35 2HB SER 35 9.948 9.222 6.705 248 HB3 SER 35 1HB SER 35 8.376 9.831 6.199 249 HG SER 35 HG SER 35 7.989 9.396 8.163 250 H GLU 36 H GLU 36 11.293 7.707 4.871 251 HA GLU 36 HA GLU 36 11.615 4.892 5.039 252 HB2 GLU 36 2HB GLU 36 13.939 5.185 4.459 253 HB3 GLU 36 1HB GLU 36 13.094 6.438 3.610 254 HG2 GLU 36 2HG GLU 36 14.991 7.546 4.378 255 HG3 GLU 36 1HG GLU 36 13.779 7.885 5.615 256 H ASP 37 H ASP 37 12.118 7.397 7.339 257 HA ASP 37 HA ASP 37 13.477 5.670 9.214 258 HB2 ASP 37 2HB ASP 37 13.868 8.170 8.913 259 HB3 ASP 37 1HB ASP 37 12.306 8.424 9.672 260 H CYS 38 H CYS 38 10.434 5.829 8.179 261 HA CYS 38 HA CYS 38 8.455 4.996 8.782 262 HB2 CYS 38 2HB CYS 38 10.174 3.426 10.694 263 HB3 CYS 38 1HB CYS 38 8.494 3.044 10.317 264 HG CYS 38 HG CYS 38 9.547 3.305 7.479 265 H ARG 39 H ARG 39 9.420 7.340 10.178 266 HA ARG 39 HA ARG 39 8.397 7.383 12.813 267 HB2 ARG 39 2HB ARG 39 8.833 9.628 10.841 268 HB3 ARG 39 1HB ARG 39 8.416 9.879 12.538 269 HG2 ARG 39 2HG ARG 39 10.847 8.413 11.561 270 HG3 ARG 39 1HG ARG 39 10.824 10.112 12.043 271 HD2 ARG 39 2HD ARG 39 10.266 9.608 14.207 272 HD3 ARG 39 1HD ARG 39 9.874 7.919 13.865 273 HE ARG 39 HE ARG 39 12.536 8.477 13.174 274 HH11 ARG 39 1HH1 ARG 39 10.541 8.063 16.077 275 HH12 ARG 39 2HH1 ARG 39 11.788 7.356 17.002 276 HH21 ARG 39 1HH2 ARG 39 14.237 7.476 14.461 277 HH22 ARG 39 2HH2 ARG 39 13.924 7.016 16.071 278 H MET 40 H MET 40 6.979 8.020 9.711 279 HA MET 40 HA MET 40 4.852 8.211 8.926 280 HB2 MET 40 2HB MET 40 4.201 6.457 11.327 281 HB3 MET 40 1HB MET 40 3.169 6.678 9.916 282 HG2 MET 40 2HG MET 40 4.815 5.612 8.591 283 HG3 MET 40 1HG MET 40 5.884 5.492 9.996 284 HE1 MET 40 3HE MET 40 5.232 3.118 8.366 285 HE2 MET 40 1HE MET 40 4.878 1.855 9.580 286 HE3 MET 40 2HE MET 40 6.140 3.080 9.885 287 H GLY 41 H GLY 41 3.802 8.058 12.265 288 HA2 GLY 41 2HA GLY 41 2.893 9.591 13.691 289 HA3 GLY 41 1HA GLY 41 3.382 10.860 12.583 290 H ALA 42 H ALA 42 1.831 9.423 10.384 291 HA ALA 42 HA ALA 42 -0.896 9.707 11.289 292 HB1 ALA 42 1HB ALA 42 0.198 11.423 9.063 293 HB2 ALA 42 2HB ALA 42 -0.229 11.996 10.673 294 HB3 ALA 42 3HB ALA 42 -1.482 11.360 9.599 295 H GLY 43 H GLY 43 -2.425 9.132 9.587 296 HA2 GLY 43 2HA GLY 43 -2.976 8.101 7.562 297 HA3 GLY 43 1HA GLY 43 -1.301 7.603 7.380 298 H ILE 44 H ILE 44 -3.105 5.778 6.886 299 HA ILE 44 HA ILE 44 -3.832 4.227 9.167 300 HB ILE 44 HB ILE 44 -5.150 4.084 7.119 301 HG12 ILE 44 2HG1 ILE 44 -3.838 1.423 7.526 302 HG13 ILE 44 1HG1 ILE 44 -4.983 2.066 8.701 303 HG21 ILE 44 1HG2 ILE 44 -2.714 2.822 5.912 304 HG22 ILE 44 2HG2 ILE 44 -3.406 4.389 5.492 305 HG23 ILE 44 3HG2 ILE 44 -4.302 2.908 5.141 306 HD11 ILE 44 3HD1 ILE 44 -6.036 0.511 7.254 307 HD12 ILE 44 1HD1 ILE 44 -5.423 1.397 5.838 308 HD13 ILE 44 2HD1 ILE 44 -6.627 2.147 6.888 309 H ALA 45 H ALA 45 -0.939 4.663 7.561 310 HA ALA 45 HA ALA 45 0.329 2.183 7.931 311 HB1 ALA 45 1HB ALA 45 1.329 3.992 6.625 312 HB2 ALA 45 2HB ALA 45 2.425 3.441 7.887 313 HB3 ALA 45 3HB ALA 45 1.533 4.946 8.097 314 H VAL 46 H VAL 46 -0.372 4.837 10.123 315 HA VAL 46 HA VAL 46 1.167 3.966 12.314 316 HB VAL 46 HB VAL 46 -1.371 5.666 12.245 317 HG11 VAL 46 1HG1 VAL 46 0.570 5.233 14.527 318 HG12 VAL 46 2HG1 VAL 46 -1.085 4.638 14.462 319 HG13 VAL 46 3HG1 VAL 46 -0.777 6.373 14.515 320 HG21 VAL 46 3HG2 VAL 46 0.185 7.516 12.563 321 HG22 VAL 46 1HG2 VAL 46 0.528 6.627 11.081 322 HG23 VAL 46 2HG2 VAL 46 1.540 6.391 12.504 323 H LEU 47 H LEU 47 -2.019 3.177 11.178 324 HA LEU 47 HA LEU 47 -2.802 1.582 13.372 325 HB2 LEU 47 2HB LEU 47 -3.730 1.706 10.513 326 HB3 LEU 47 1HB LEU 47 -4.423 0.579 11.666 327 HG LEU 47 HG LEU 47 -4.422 3.565 12.149 328 HD11 LEU 47 1HD1 LEU 47 -5.679 3.150 10.103 329 HD12 LEU 47 2HD1 LEU 47 -6.760 3.512 11.433 330 HD13 LEU 47 3HD1 LEU 47 -6.588 1.848 10.893 331 HD21 LEU 47 3HD2 LEU 47 -6.060 1.306 13.215 332 HD22 LEU 47 1HD2 LEU 47 -6.185 2.984 13.714 333 HD23 LEU 47 2HD2 LEU 47 -4.721 2.065 14.095 334 H PHE 48 H PHE 48 -1.027 0.878 10.424 335 HA PHE 48 HA PHE 48 -0.888 -1.926 11.002 336 HB2 PHE 48 2HB PHE 48 0.525 -0.200 8.975 337 HB3 PHE 48 1HB PHE 48 0.964 -1.893 9.201 338 HD1 PHE 48 2HD PHE 48 -2.089 0.194 8.694 339 HD2 PHE 48 1HD PHE 48 -0.055 -3.441 7.847 340 HE1 PHE 48 2HE PHE 48 -3.924 -0.499 7.196 341 HE2 PHE 48 1HE PHE 48 -1.906 -4.116 6.342 342 HZ PHE 48 HZ PHE 48 -3.828 -2.626 6.051 343 H LYS 49 H LYS 49 1.017 0.838 11.753 344 HA LYS 49 HA LYS 49 3.283 -0.468 12.781 345 HB2 LYS 49 2HB LYS 49 3.152 1.964 12.293 346 HB3 LYS 49 1HB LYS 49 1.966 2.162 13.559 347 HG2 LYS 49 2HG LYS 49 4.731 1.178 14.106 348 HG3 LYS 49 1HG LYS 49 4.368 2.905 14.004 349 HD2 LYS 49 2HD LYS 49 3.105 0.932 15.907 350 HD3 LYS 49 1HD LYS 49 4.447 1.996 16.334 351 HE2 LYS 49 2HE LYS 49 1.693 2.873 15.445 352 HE3 LYS 49 1HE LYS 49 2.283 2.872 17.107 353 HZ1 LYS 49 3HZ LYS 49 2.390 5.060 16.127 354 HZ2 LYS 49 1HZ LYS 49 3.358 4.542 14.871 355 HZ3 LYS 49 2HZ LYS 49 3.944 4.536 16.448 356 H LYS 50 H LYS 50 0.391 0.717 14.279 357 HA LYS 50 HA LYS 50 0.713 -0.268 16.817 358 HB2 LYS 50 2HB LYS 50 -1.699 0.469 15.277 359 HB3 LYS 50 1HB LYS 50 -1.825 -0.118 16.937 360 HG2 LYS 50 2HG LYS 50 -0.524 1.619 17.776 361 HG3 LYS 50 1HG LYS 50 0.047 2.065 16.173 362 HD2 LYS 50 2HD LYS 50 -1.512 3.633 16.990 363 HD3 LYS 50 1HD LYS 50 -2.092 2.724 15.570 364 HE2 LYS 50 2HE LYS 50 -3.561 1.400 16.943 365 HE3 LYS 50 1HE LYS 50 -2.915 2.119 18.428 366 HZ1 LYS 50 3HZ LYS 50 -3.896 4.234 17.775 367 HZ2 LYS 50 1HZ LYS 50 -5.084 3.037 17.759 368 HZ3 LYS 50 2HZ LYS 50 -4.426 3.589 16.320 369 H LYS 51 H LYS 51 -1.123 -1.777 14.112 370 HA LYS 51 HA LYS 51 -1.782 -4.045 15.710 371 HB2 LYS 51 2HB LYS 51 -2.393 -3.343 12.887 372 HB3 LYS 51 1HB LYS 51 -2.908 -4.835 13.655 373 HG2 LYS 51 2HG LYS 51 -4.131 -3.532 15.337 374 HG3 LYS 51 1HG LYS 51 -3.623 -2.047 14.530 375 HD2 LYS 51 2HD LYS 51 -4.684 -2.743 12.521 376 HD3 LYS 51 1HD LYS 51 -5.188 -4.261 13.261 377 HE2 LYS 51 2HE LYS 51 -6.068 -1.497 14.138 378 HE3 LYS 51 1HE LYS 51 -7.043 -2.632 13.212 379 HZ1 LYS 51 3HZ LYS 51 -6.947 -4.171 15.082 380 HZ2 LYS 51 1HZ LYS 51 -7.617 -2.701 15.546 381 HZ3 LYS 51 2HZ LYS 51 -6.029 -3.072 15.970 382 H PHE 52 H PHE 52 0.483 -3.492 12.993 383 HA PHE 52 HA PHE 52 0.962 -6.380 12.916 384 HB2 PHE 52 2HB PHE 52 1.712 -4.191 10.965 385 HB3 PHE 52 1HB PHE 52 2.253 -5.850 10.805 386 HD1 PHE 52 1HD PHE 52 -1.145 -4.824 11.890 387 HD2 PHE 52 2HD PHE 52 1.241 -6.332 8.719 388 HE1 PHE 52 1HE PHE 52 -3.171 -5.320 10.624 389 HE2 PHE 52 2HE PHE 52 -0.798 -6.833 7.431 390 HZ PHE 52 HZ PHE 52 -3.003 -6.337 8.378 391 H GLY 53 H GLY 53 2.459 -3.420 13.855 392 HA2 GLY 53 2HA GLY 53 4.489 -2.919 14.798 393 HA3 GLY 53 1HA GLY 53 4.471 -4.574 15.381 394 H GLY 54 H GLY 54 4.939 -2.980 12.224 395 HA2 GLY 54 2HA GLY 54 7.201 -4.836 11.816 396 HA3 GLY 54 1HA GLY 54 6.194 -4.203 10.529 397 H VAL 55 H VAL 55 7.374 -2.117 13.123 398 HA VAL 55 HA VAL 55 8.440 -0.350 11.198 399 HB VAL 55 HB VAL 55 8.756 -0.323 14.216 400 HG11 VAL 55 1HG1 VAL 55 9.347 2.044 13.938 401 HG12 VAL 55 2HG1 VAL 55 9.275 1.845 12.186 402 HG13 VAL 55 3HG1 VAL 55 10.502 0.986 13.121 403 HG21 VAL 55 3HG2 VAL 55 6.994 1.369 14.136 404 HG22 VAL 55 1HG2 VAL 55 6.445 -0.175 13.476 405 HG23 VAL 55 2HG2 VAL 55 6.864 1.150 12.391 406 H GLN 56 H GLN 56 10.035 -2.543 13.559 407 HA GLN 56 HA GLN 56 12.657 -1.852 12.765 408 HB2 GLN 56 2HB GLN 56 11.541 -4.285 14.176 409 HB3 GLN 56 1HB GLN 56 13.229 -4.033 13.849 410 HG2 GLN 56 2HG GLN 56 12.691 -3.521 16.166 411 HG3 GLN 56 1HG GLN 56 13.246 -2.087 15.322 412 HE21 GLN 56 1HE2 GLN 56 11.852 -0.371 15.089 413 HE22 GLN 56 2HE2 GLN 56 10.317 -0.271 15.849 414 H GLU 57 H GLU 57 10.308 -4.146 11.652 415 HA GLU 57 HA GLU 57 11.971 -5.718 10.073 416 HB2 GLU 57 2HB GLU 57 9.104 -5.000 9.634 417 HB3 GLU 57 1HB GLU 57 9.967 -6.295 8.816 418 HG2 GLU 57 2HG GLU 57 9.358 -6.100 11.754 419 HG3 GLU 57 1HG GLU 57 8.758 -7.210 10.518 420 H LEU 58 H LEU 58 10.202 -2.773 9.438 421 HA LEU 58 HA LEU 58 11.013 -2.477 6.727 422 HB2 LEU 58 2HB LEU 58 9.945 -0.447 8.678 423 HB3 LEU 58 1HB LEU 58 10.129 -0.189 6.954 424 HG LEU 58 HG LEU 58 8.276 -2.194 8.238 425 HD11 LEU 58 1HD1 LEU 58 7.540 0.083 8.617 426 HD12 LEU 58 2HD1 LEU 58 6.498 -0.719 7.445 427 HD13 LEU 58 3HD1 LEU 58 7.702 0.444 6.896 428 HD21 LEU 58 3HD2 LEU 58 8.621 -1.384 5.355 429 HD22 LEU 58 1HD2 LEU 58 7.369 -2.459 5.978 430 HD23 LEU 58 2HD2 LEU 58 9.061 -2.943 6.057 431 H LEU 59 H LEU 59 12.158 -1.156 9.815 432 HA LEU 59 HA LEU 59 14.022 0.593 8.634 433 HB2 LEU 59 2HB LEU 59 13.915 -0.474 11.439 434 HB3 LEU 59 1HB LEU 59 15.053 0.749 10.905 435 HG LEU 59 HG LEU 59 12.046 1.029 10.949 436 HD11 LEU 59 1HD1 LEU 59 13.024 1.104 13.164 437 HD12 LEU 59 2HD1 LEU 59 12.474 2.704 12.658 438 HD13 LEU 59 3HD1 LEU 59 14.191 2.312 12.607 439 HD21 LEU 59 3HD2 LEU 59 14.184 3.000 10.149 440 HD22 LEU 59 1HD2 LEU 59 12.479 3.372 10.362 441 HD23 LEU 59 2HD2 LEU 59 12.977 2.276 9.083 442 H ASN 60 H ASN 60 14.426 -2.704 9.791 443 HA ASN 60 HA ASN 60 17.209 -2.752 9.353 444 HB2 ASN 60 2HB ASN 60 15.211 -5.001 9.438 445 HB3 ASN 60 1HB ASN 60 16.895 -5.296 9.027 446 HD21 ASN 60 1HD2 ASN 60 14.671 -4.440 11.552 447 HD22 ASN 60 2HD2 ASN 60 15.784 -4.629 12.852 448 H GLN 61 H GLN 61 14.608 -2.989 7.092 449 HA GLN 61 HA GLN 61 16.299 -3.978 4.997 450 HB2 GLN 61 2HB GLN 61 13.531 -2.762 4.835 451 HB3 GLN 61 1HB GLN 61 14.393 -3.431 3.460 452 HG2 GLN 61 2HG GLN 61 14.462 -5.621 4.640 453 HG3 GLN 61 1HG GLN 61 13.465 -4.916 5.910 454 HE21 GLN 61 1HE2 GLN 61 11.274 -4.486 5.468 455 HE22 GLN 61 2HE2 GLN 61 10.478 -5.166 4.099 456 H GLN 62 H GLN 62 15.878 -0.855 6.420 457 HA GLN 62 HA GLN 62 16.143 1.149 5.891 458 HB2 GLN 62 2HB GLN 62 18.360 0.189 6.454 459 HB3 GLN 62 1HB GLN 62 18.713 0.188 4.721 460 HG2 GLN 62 2HG GLN 62 18.150 2.551 4.654 461 HG3 GLN 62 1HG GLN 62 17.899 2.394 6.405 462 HE21 GLN 62 1HE2 GLN 62 19.852 4.035 4.821 463 HE22 GLN 62 2HE2 GLN 62 21.398 3.653 5.474 464 H LYS 63 H LYS 63 14.831 2.154 4.465 465 HA LYS 63 HA LYS 63 15.163 1.452 1.753 466 HB2 LYS 63 2HB LYS 63 13.081 3.189 3.041 467 HB3 LYS 63 1HB LYS 63 13.097 2.621 1.390 468 HG2 LYS 63 2HG LYS 63 11.553 1.373 2.679 469 HG3 LYS 63 1HG LYS 63 12.874 0.281 2.202 470 HD2 LYS 63 2HD LYS 63 12.333 -0.184 4.420 471 HD3 LYS 63 1HD LYS 63 13.813 0.712 4.481 472 HE2 LYS 63 2HE LYS 63 12.511 2.847 4.868 473 HE3 LYS 63 1HE LYS 63 11.068 1.853 5.054 474 HZ1 LYS 63 3HZ LYS 63 12.074 2.497 7.148 475 HZ2 LYS 63 1HZ LYS 63 13.496 1.766 6.731 476 HZ3 LYS 63 2HZ LYS 63 12.131 0.795 6.977 477 H LYS 64 H LYS 64 15.388 3.261 0.181 478 HA LYS 64 HA LYS 64 16.262 5.821 1.317 479 HB2 LYS 64 2HB LYS 64 16.237 4.866 -1.567 480 HB3 LYS 64 1HB LYS 64 16.831 6.417 -1.021 481 HG2 LYS 64 2HG LYS 64 18.007 3.730 -0.396 482 HG3 LYS 64 1HG LYS 64 18.610 4.896 -1.585 483 HD2 LYS 64 2HD LYS 64 18.905 6.504 0.326 484 HD3 LYS 64 1HD LYS 64 18.535 5.160 1.412 485 HE2 LYS 64 2HE LYS 64 20.829 5.307 -0.553 486 HE3 LYS 64 1HE LYS 64 20.937 5.413 1.201 487 HZ1 LYS 64 3HZ LYS 64 20.140 3.141 1.345 488 HZ2 LYS 64 1HZ LYS 64 21.524 3.197 0.410 489 HZ3 LYS 64 2HZ LYS 64 20.021 3.024 -0.319 490 H SER 65 H SER 65 15.301 7.694 0.120 491 HA SER 65 HA SER 65 12.461 7.444 0.029 492 HB2 SER 65 2HB SER 65 14.251 9.692 -0.896 493 HB3 SER 65 1HB SER 65 12.518 9.810 -0.568 494 HG SER 65 HG SER 65 13.814 8.710 1.498 495 H GLY 66 H GLY 66 11.223 6.918 -1.743 496 HA2 GLY 66 2HA GLY 66 10.768 6.850 -4.056 497 HA3 GLY 66 1HA GLY 66 12.491 7.009 -4.381 498 H GLU 67 H GLU 67 11.839 4.867 -1.874 499 HA GLU 67 HA GLU 67 12.085 2.554 -3.644 500 HB2 GLU 67 2HB GLU 67 13.137 2.899 -0.829 501 HB3 GLU 67 1HB GLU 67 13.233 1.425 -1.777 502 HG2 GLU 67 2HG GLU 67 14.567 4.037 -2.387 503 HG3 GLU 67 1HG GLU 67 15.352 2.593 -1.741 504 H VAL 68 H VAL 68 11.165 0.612 -2.656 505 HA VAL 68 HA VAL 68 8.869 1.307 -0.971 506 HB VAL 68 HB VAL 68 8.228 0.790 -3.338 507 HG11 VAL 68 1HG1 VAL 68 9.907 -0.857 -3.878 508 HG12 VAL 68 2HG1 VAL 68 8.288 -1.507 -4.162 509 HG13 VAL 68 3HG1 VAL 68 9.205 -1.990 -2.731 510 HG21 VAL 68 3HG2 VAL 68 6.431 -0.718 -2.840 511 HG22 VAL 68 1HG2 VAL 68 6.649 0.464 -1.527 512 HG23 VAL 68 2HG2 VAL 68 7.214 -1.198 -1.331 513 H ALA 69 H ALA 69 8.522 0.070 0.759 514 HA ALA 69 HA ALA 69 10.361 -2.167 1.218 515 HB1 ALA 69 1HB ALA 69 10.437 -0.408 2.921 516 HB2 ALA 69 2HB ALA 69 9.817 -1.912 3.593 517 HB3 ALA 69 3HB ALA 69 8.709 -0.594 3.204 518 H VAL 70 H VAL 70 9.540 -4.178 1.864 519 HA VAL 70 HA VAL 70 6.653 -4.477 1.384 520 HB VAL 70 HB VAL 70 8.784 -6.361 0.374 521 HG11 VAL 70 1HG1 VAL 70 5.824 -6.313 -0.137 522 HG12 VAL 70 2HG1 VAL 70 6.710 -7.470 0.853 523 HG13 VAL 70 3HG1 VAL 70 6.985 -7.409 -0.889 524 HG21 VAL 70 3HG2 VAL 70 7.167 -4.361 -1.216 525 HG22 VAL 70 1HG2 VAL 70 8.235 -5.588 -1.904 526 HG23 VAL 70 2HG2 VAL 70 8.905 -4.291 -0.911 527 H LEU 71 H LEU 71 5.658 -5.774 2.739 528 HA LEU 71 HA LEU 71 7.173 -7.629 4.487 529 HB2 LEU 71 2HB LEU 71 4.626 -6.126 5.179 530 HB3 LEU 71 1HB LEU 71 5.429 -7.252 6.213 531 HG LEU 71 HG LEU 71 6.465 -4.537 5.407 532 HD11 LEU 71 1HD1 LEU 71 6.266 -4.029 7.777 533 HD12 LEU 71 2HD1 LEU 71 5.616 -5.641 8.072 534 HD13 LEU 71 3HD1 LEU 71 4.710 -4.491 7.089 535 HD21 LEU 71 3HD2 LEU 71 8.344 -6.076 5.540 536 HD22 LEU 71 1HD2 LEU 71 7.790 -6.655 7.114 537 HD23 LEU 71 2HD2 LEU 71 8.349 -4.994 6.933 538 H LYS 72 H LYS 72 6.199 -9.738 4.635 539 HA LYS 72 HA LYS 72 3.802 -9.934 2.982 540 HB2 LYS 72 2HB LYS 72 5.654 -11.220 2.021 541 HB3 LYS 72 1HB LYS 72 5.753 -12.169 3.515 542 HG2 LYS 72 2HG LYS 72 3.485 -13.009 3.136 543 HG3 LYS 72 1HG LYS 72 3.366 -12.037 1.677 544 HD2 LYS 72 2HD LYS 72 5.203 -13.331 0.681 545 HD3 LYS 72 1HD LYS 72 5.290 -14.322 2.141 546 HE2 LYS 72 2HE LYS 72 2.972 -15.047 1.791 547 HE3 LYS 72 1HE LYS 72 2.870 -14.043 0.353 548 HZ1 LYS 72 3HZ LYS 72 4.596 -15.425 -0.667 549 HZ2 LYS 72 1HZ LYS 72 3.272 -16.345 -0.219 550 HZ3 LYS 72 2HZ LYS 72 4.677 -16.384 0.709 551 H ARG 73 H ARG 73 2.071 -10.491 3.783 552 HA ARG 73 HA ARG 73 1.977 -11.548 6.511 553 HB2 ARG 73 2HB ARG 73 0.166 -9.685 4.999 554 HB3 ARG 73 1HB ARG 73 -0.406 -10.557 6.410 555 HG2 ARG 73 2HG ARG 73 2.062 -8.856 6.503 556 HG3 ARG 73 1HG ARG 73 0.457 -8.175 6.755 557 HD2 ARG 73 2HD ARG 73 1.552 -8.736 8.885 558 HD3 ARG 73 1HD ARG 73 0.088 -9.682 8.642 559 HE ARG 73 HE ARG 73 2.767 -10.757 8.082 560 HH11 ARG 73 1HH1 ARG 73 -0.370 -11.021 9.786 561 HH12 ARG 73 2HH1 ARG 73 -0.047 -12.568 10.398 562 HH21 ARG 73 1HH2 ARG 73 3.147 -12.925 8.920 563 HH22 ARG 73 2HH2 ARG 73 1.970 -13.689 9.878 564 H ASP 74 H ASP 74 -0.661 -12.331 6.528 565 HA ASP 74 HA ASP 74 -0.518 -14.859 5.363 566 HB2 ASP 74 2HB ASP 74 -1.843 -14.446 7.348 567 HB3 ASP 74 1HB ASP 74 -2.860 -13.316 6.467 568 H GLY 75 H GLY 75 -0.267 -14.948 3.237 569 HA2 GLY 75 2HA GLY 75 -1.220 -15.325 1.150 570 HA3 GLY 75 1HA GLY 75 -2.607 -14.368 1.631 571 H ARG 76 H ARG 76 -1.357 -11.949 2.303 572 HA ARG 76 HA ARG 76 -0.477 -11.184 -0.397 573 HB2 ARG 76 2HB ARG 76 -1.644 -9.064 -0.140 574 HB3 ARG 76 1HB ARG 76 -2.725 -10.440 -0.074 575 HG2 ARG 76 2HG ARG 76 -2.851 -10.228 2.366 576 HG3 ARG 76 1HG ARG 76 -1.762 -8.838 2.299 577 HD2 ARG 76 2HD ARG 76 -3.360 -7.650 0.891 578 HD3 ARG 76 1HD ARG 76 -4.444 -9.032 0.936 579 HE ARG 76 HE ARG 76 -4.072 -8.324 3.555 580 HH11 ARG 76 1HH1 ARG 76 -5.216 -6.682 0.628 581 HH12 ARG 76 2HH1 ARG 76 -6.236 -5.615 1.466 582 HH21 ARG 76 1HH2 ARG 76 -5.472 -6.848 4.687 583 HH22 ARG 76 2HH2 ARG 76 -6.386 -5.687 3.826 584 H TYR 77 H TYR 77 0.612 -9.094 -0.596 585 HA TYR 77 HA TYR 77 2.663 -8.837 1.456 586 HB2 TYR 77 2HB TYR 77 2.515 -7.814 -1.384 587 HB3 TYR 77 1HB TYR 77 3.820 -7.440 -0.276 588 HD1 TYR 77 1HD TYR 77 5.350 -9.240 0.458 589 HD2 TYR 77 2HD TYR 77 2.427 -9.901 -2.557 590 HE1 TYR 77 1HE TYR 77 6.580 -11.224 -0.281 591 HE2 TYR 77 2HE TYR 77 3.655 -11.905 -3.305 592 HH TYR 77 HH TYR 77 5.964 -12.771 -3.218 593 H ILE 78 H ILE 78 3.230 -6.838 2.300 594 HA ILE 78 HA ILE 78 1.199 -4.721 2.096 595 HB ILE 78 HB ILE 78 3.266 -5.022 4.287 596 HG12 ILE 78 2HG1 ILE 78 1.890 -7.073 4.324 597 HG13 ILE 78 1HG1 ILE 78 1.574 -6.062 5.726 598 HG21 ILE 78 1HG2 ILE 78 0.632 -3.587 4.131 599 HG22 ILE 78 2HG2 ILE 78 2.235 -2.847 4.047 600 HG23 ILE 78 3HG2 ILE 78 1.690 -3.618 5.543 601 HD11 ILE 78 3HD1 ILE 78 -0.469 -5.259 4.665 602 HD12 ILE 78 1HD1 ILE 78 -0.441 -7.021 4.854 603 HD13 ILE 78 2HD1 ILE 78 -0.117 -6.295 3.270 604 H TYR 79 H TYR 79 1.943 -2.982 1.059 605 HA TYR 79 HA TYR 79 4.827 -2.692 0.660 606 HB2 TYR 79 2HB TYR 79 2.523 -1.595 -0.936 607 HB3 TYR 79 1HB TYR 79 4.209 -1.187 -1.222 608 HD1 TYR 79 1HD TYR 79 1.668 -3.809 -1.436 609 HD2 TYR 79 2HD TYR 79 5.698 -2.748 -2.197 610 HE1 TYR 79 1HE TYR 79 1.904 -5.784 -2.829 611 HE2 TYR 79 2HE TYR 79 5.969 -4.717 -3.595 612 HH TYR 79 HH TYR 79 3.345 -6.630 -4.613 613 H TYR 80 H TYR 80 5.851 -0.892 1.038 614 HA TYR 80 HA TYR 80 4.394 1.367 2.153 615 HB2 TYR 80 2HB TYR 80 6.914 0.110 3.217 616 HB3 TYR 80 1HB TYR 80 6.337 1.688 3.723 617 HD1 TYR 80 1HD TYR 80 4.348 1.882 5.121 618 HD2 TYR 80 2HD TYR 80 5.839 -1.925 3.946 619 HE1 TYR 80 1HE TYR 80 2.946 0.812 6.828 620 HE2 TYR 80 2HE TYR 80 4.449 -3.005 5.649 621 HH TYR 80 HH TYR 80 3.349 -2.410 7.757 622 H LEU 81 H LEU 81 4.560 2.725 0.538 623 HA LEU 81 HA LEU 81 6.860 3.010 -1.174 624 HB2 LEU 81 2HB LEU 81 4.465 4.786 -0.728 625 HB3 LEU 81 1HB LEU 81 5.575 4.883 -2.066 626 HG LEU 81 HG LEU 81 3.698 2.585 -1.523 627 HD11 LEU 81 1HD1 LEU 81 2.516 4.596 -2.194 628 HD12 LEU 81 2HD1 LEU 81 2.496 3.398 -3.488 629 HD13 LEU 81 3HD1 LEU 81 3.589 4.780 -3.580 630 HD21 LEU 81 3HD2 LEU 81 5.507 3.119 -3.891 631 HD22 LEU 81 1HD2 LEU 81 4.350 1.801 -3.733 632 HD23 LEU 81 2HD2 LEU 81 5.752 1.885 -2.666 633 H ILE 82 H ILE 82 8.616 4.048 -0.507 634 HA ILE 82 HA ILE 82 8.430 5.880 1.758 635 HB ILE 82 HB ILE 82 10.846 5.055 0.151 636 HG12 ILE 82 2HG1 ILE 82 9.806 3.091 1.212 637 HG13 ILE 82 1HG1 ILE 82 11.357 3.487 1.934 638 HG21 ILE 82 1HG2 ILE 82 12.092 5.906 2.040 639 HG22 ILE 82 2HG2 ILE 82 10.574 6.287 2.878 640 HG23 ILE 82 3HG2 ILE 82 10.993 7.155 1.411 641 HD11 ILE 82 3HD1 ILE 82 10.170 4.553 3.797 642 HD12 ILE 82 1HD1 ILE 82 9.811 2.841 3.638 643 HD13 ILE 82 2HD1 ILE 82 8.634 4.052 3.103 644 H THR 83 H THR 83 7.798 7.785 1.305 645 HA THR 83 HA THR 83 8.405 8.922 -1.261 646 HB THR 83 HB THR 83 7.011 10.815 -0.441 647 HG1 THR 83 1HG THR 83 5.752 9.623 1.547 648 HG21 THR 83 3HG2 THR 83 6.028 9.012 -1.767 649 HG22 THR 83 1HG2 THR 83 4.880 9.555 -0.546 650 HG23 THR 83 2HG2 THR 83 5.774 8.057 -0.306 651 H LYS 84 H LYS 84 9.018 9.709 2.168 652 HA LYS 84 HA LYS 84 11.494 10.918 1.337 653 HB2 LYS 84 2HB LYS 84 9.398 12.379 2.946 654 HB3 LYS 84 1HB LYS 84 11.083 12.845 2.982 655 HG2 LYS 84 2HG LYS 84 9.542 12.719 0.397 656 HG3 LYS 84 1HG LYS 84 9.469 14.133 1.435 657 HD2 LYS 84 2HD LYS 84 11.112 14.444 -0.382 658 HD3 LYS 84 1HD LYS 84 11.901 14.450 1.186 659 HE2 LYS 84 2HE LYS 84 12.714 12.209 0.830 660 HE3 LYS 84 1HE LYS 84 11.791 12.061 -0.675 661 HZ1 LYS 84 3HZ LYS 84 14.127 12.473 -1.032 662 HZ2 LYS 84 1HZ LYS 84 14.080 13.923 -0.178 663 HZ3 LYS 84 2HZ LYS 84 13.232 13.749 -1.625 664 H LYS 85 H LYS 85 12.645 11.685 3.482 665 HA LYS 85 HA LYS 85 13.109 9.257 4.753 666 HB2 LYS 85 2HB LYS 85 14.993 10.597 4.286 667 HB3 LYS 85 1HB LYS 85 14.328 11.962 5.171 668 HG2 LYS 85 2HG LYS 85 14.644 10.899 7.224 669 HG3 LYS 85 1HG LYS 85 15.160 9.373 6.467 670 HD2 LYS 85 2HD LYS 85 17.099 10.583 5.551 671 HD3 LYS 85 1HD LYS 85 16.542 12.052 6.358 672 HE2 LYS 85 2HE LYS 85 18.254 11.009 7.670 673 HE3 LYS 85 1HE LYS 85 16.699 10.927 8.501 674 HZ1 LYS 85 3HZ LYS 85 17.856 8.820 8.690 675 HZ2 LYS 85 1HZ LYS 85 18.048 8.706 7.039 676 HZ3 LYS 85 2HZ LYS 85 16.513 8.541 7.722 677 H ARG 86 H ARG 86 12.086 12.361 6.143 678 HA ARG 86 HA ARG 86 11.503 11.140 8.762 679 HB2 ARG 86 2HB ARG 86 11.602 13.961 7.751 680 HB3 ARG 86 1HB ARG 86 11.095 13.563 9.370 681 HG2 ARG 86 2HG ARG 86 13.760 12.755 8.282 682 HG3 ARG 86 1HG ARG 86 13.486 14.327 9.033 683 HD2 ARG 86 2HD ARG 86 12.716 13.308 10.971 684 HD3 ARG 86 1HD ARG 86 12.931 11.671 10.310 685 HE ARG 86 HE ARG 86 15.360 13.011 10.111 686 HH11 ARG 86 1HH1 ARG 86 13.257 11.923 12.752 687 HH12 ARG 86 2HH1 ARG 86 14.520 11.656 13.852 688 HH21 ARG 86 1HH2 ARG 86 17.124 12.665 11.661 689 HH22 ARG 86 2HH2 ARG 86 16.754 12.089 13.213 690 H ALA 87 H ALA 87 9.407 11.550 9.834 691 HA ALA 87 HA ALA 87 7.131 11.464 8.070 692 HB1 ALA 87 1HB ALA 87 7.049 10.343 10.237 693 HB2 ALA 87 2HB ALA 87 5.825 11.600 10.159 694 HB3 ALA 87 3HB ALA 87 7.307 11.892 11.057 695 H SER 88 H SER 88 9.047 13.817 9.451 696 HA SER 88 HA SER 88 7.187 16.003 9.371 697 HB2 SER 88 2HB SER 88 10.184 15.987 9.697 698 HB3 SER 88 1HB SER 88 9.058 17.253 10.194 699 HG SER 88 HG SER 88 8.071 15.585 11.518 700 H HIS 89 H HIS 89 8.737 14.241 6.984 701 HA HIS 89 HA HIS 89 9.314 16.582 5.354 702 HB2 HIS 89 2HB HIS 89 10.075 13.685 4.914 703 HB3 HIS 89 1HB HIS 89 10.361 14.966 3.787 704 HD1 HIS 89 1HD HIS 89 12.931 13.829 4.332 705 HD2 HIS 89 2HD HIS 89 11.221 16.424 7.067 706 HE1 HIS 89 1HE HIS 89 14.798 14.469 5.852 707 HE2 HIS 89 2HE HIS 89 13.832 16.396 7.176 708 H LYS 90 H LYS 90 8.293 16.864 3.631 709 HA LYS 90 HA LYS 90 5.816 15.360 3.297 710 HB2 LYS 90 2HB LYS 90 6.583 18.050 2.138 711 HB3 LYS 90 1HB LYS 90 5.132 17.197 1.668 712 HG2 LYS 90 2HG LYS 90 4.578 18.894 3.294 713 HG3 LYS 90 1HG LYS 90 4.321 17.304 3.999 714 HD2 LYS 90 2HD LYS 90 5.353 18.800 5.618 715 HD3 LYS 90 1HD LYS 90 6.478 17.515 5.178 716 HE2 LYS 90 2HE LYS 90 7.615 19.679 5.276 717 HE3 LYS 90 1HE LYS 90 7.620 19.029 3.646 718 HZ1 LYS 90 3HZ LYS 90 7.087 21.399 3.728 719 HZ2 LYS 90 1HZ LYS 90 5.719 21.074 4.637 720 HZ3 LYS 90 2HZ LYS 90 5.822 20.497 3.052 721 HA PRO 91 HA PRO 91 7.222 12.827 0.012 722 HB2 PRO 91 2HB PRO 91 4.798 12.778 -1.395 723 HB3 PRO 91 1HB PRO 91 5.247 11.680 -0.091 724 HG2 PRO 91 2HG PRO 91 3.598 14.163 0.002 725 HG3 PRO 91 1HG PRO 91 3.374 12.634 0.873 726 HD2 PRO 91 2HD PRO 91 4.342 14.756 2.100 727 HD3 PRO 91 1HD PRO 91 5.032 13.151 2.429 728 H THR 92 H THR 92 8.039 13.037 -2.172 729 HA THR 92 HA THR 92 7.363 15.542 -3.383 730 HB THR 92 HB THR 92 9.669 14.930 -4.520 731 HG1 THR 92 1HG THR 92 10.984 13.849 -3.056 732 HG21 THR 92 3HG2 THR 92 10.834 16.150 -2.724 733 HG22 THR 92 1HG2 THR 92 9.452 15.881 -1.665 734 HG23 THR 92 2HG2 THR 92 9.277 16.902 -3.089 735 H TYR 93 H TYR 93 7.234 15.463 -5.664 736 HA TYR 93 HA TYR 93 5.706 13.289 -6.554 737 HB2 TYR 93 2HB TYR 93 6.837 15.691 -7.930 738 HB3 TYR 93 1HB TYR 93 5.937 14.465 -8.816 739 HD1 TYR 93 1HD TYR 93 5.682 17.020 -6.121 740 HD2 TYR 93 2HD TYR 93 3.618 14.307 -8.651 741 HE1 TYR 93 1HE TYR 93 3.491 18.047 -5.491 742 HE2 TYR 93 2HE TYR 93 1.519 15.308 -8.040 743 HH TYR 93 HH TYR 93 1.345 18.268 -6.318 744 H GLU 94 H GLU 94 8.975 14.329 -7.197 745 HA GLU 94 HA GLU 94 9.741 12.476 -9.160 746 HB2 GLU 94 2HB GLU 94 11.410 13.587 -6.906 747 HB3 GLU 94 1HB GLU 94 12.015 12.910 -8.411 748 HG2 GLU 94 2HG GLU 94 11.108 14.716 -9.662 749 HG3 GLU 94 1HG GLU 94 10.272 15.349 -8.247 750 H ASN 95 H ASN 95 9.797 12.295 -5.660 751 HA ASN 95 HA ASN 95 11.048 9.721 -5.599 752 HB2 ASN 95 2HB ASN 95 9.825 11.483 -3.532 753 HB3 ASN 95 1HB ASN 95 10.425 9.859 -3.089 754 HD21 ASN 95 1HD2 ASN 95 11.720 12.259 -5.307 755 HD22 ASN 95 2HD2 ASN 95 13.172 12.584 -4.435 756 H LEU 96 H LEU 96 7.766 10.959 -5.132 757 HA LEU 96 HA LEU 96 6.514 8.589 -4.521 758 HB2 LEU 96 2HB LEU 96 5.447 10.820 -4.526 759 HB3 LEU 96 1HB LEU 96 5.471 10.815 -6.276 760 HG LEU 96 HG LEU 96 3.909 8.887 -6.270 761 HD11 LEU 96 1HD1 LEU 96 4.505 7.921 -4.111 762 HD12 LEU 96 2HD1 LEU 96 2.781 8.272 -4.194 763 HD13 LEU 96 3HD1 LEU 96 3.852 9.339 -3.288 764 HD21 LEU 96 3HD2 LEU 96 3.080 11.171 -6.450 765 HD22 LEU 96 1HD2 LEU 96 3.000 11.287 -4.690 766 HD23 LEU 96 2HD2 LEU 96 1.957 10.151 -5.550 767 H GLN 97 H GLN 97 7.338 9.865 -7.812 768 HA GLN 97 HA GLN 97 6.197 7.882 -9.378 769 HB2 GLN 97 2HB GLN 97 8.861 9.257 -9.745 770 HB3 GLN 97 1HB GLN 97 8.003 8.355 -10.980 771 HG2 GLN 97 2HG GLN 97 6.194 9.971 -10.901 772 HG3 GLN 97 1HG GLN 97 7.069 10.823 -9.617 773 HE21 GLN 97 1HE2 GLN 97 7.060 10.029 -13.016 774 HE22 GLN 97 2HE2 GLN 97 8.192 11.248 -13.488 775 H LYS 98 H LYS 98 9.349 8.031 -7.929 776 HA LYS 98 HA LYS 98 10.335 5.614 -8.918 777 HB2 LYS 98 2HB LYS 98 11.158 7.030 -6.408 778 HB3 LYS 98 1HB LYS 98 12.075 5.763 -7.204 779 HG2 LYS 98 2HG LYS 98 11.467 8.518 -8.264 780 HG3 LYS 98 1HG LYS 98 13.013 7.832 -7.755 781 HD2 LYS 98 2HD LYS 98 12.980 6.265 -9.614 782 HD3 LYS 98 1HD LYS 98 11.397 6.862 -10.111 783 HE2 LYS 98 2HE LYS 98 12.371 9.094 -10.445 784 HE3 LYS 98 1HE LYS 98 13.957 8.446 -10.039 785 HZ1 LYS 98 3HZ LYS 98 13.598 8.596 -12.432 786 HZ2 LYS 98 1HZ LYS 98 12.270 7.572 -12.310 787 HZ3 LYS 98 2HZ LYS 98 13.817 6.984 -11.966 788 H SER 99 H SER 99 8.573 6.275 -5.917 789 HA SER 99 HA SER 99 8.834 3.623 -4.896 790 HB2 SER 99 2HB SER 99 7.056 4.261 -3.308 791 HB3 SER 99 1HB SER 99 8.331 5.457 -3.386 792 HG SER 99 HG SER 99 6.577 6.286 -5.152 793 H LEU 100 H LEU 100 6.283 5.104 -6.926 794 HA LEU 100 HA LEU 100 4.641 2.774 -7.083 795 HB2 LEU 100 2HB LEU 100 5.039 5.227 -8.826 796 HB3 LEU 100 1HB LEU 100 3.951 3.940 -9.283 797 HG LEU 100 HG LEU 100 2.973 6.022 -8.281 798 HD11 LEU 100 1HD1 LEU 100 1.293 4.718 -6.935 799 HD12 LEU 100 2HD1 LEU 100 2.386 3.343 -7.009 800 HD13 LEU 100 3HD1 LEU 100 1.678 3.970 -8.492 801 HD21 LEU 100 3HD2 LEU 100 2.834 6.151 -5.828 802 HD22 LEU 100 1HD2 LEU 100 4.488 6.351 -6.418 803 HD23 LEU 100 2HD2 LEU 100 3.984 4.815 -5.716 804 H GLU 101 H GLU 101 7.358 3.926 -9.043 805 HA GLU 101 HA GLU 101 7.409 1.922 -11.014 806 HB2 GLU 101 2HB GLU 101 9.651 3.394 -9.642 807 HB3 GLU 101 1HB GLU 101 9.880 2.363 -11.039 808 HG2 GLU 101 2HG GLU 101 8.044 4.699 -11.037 809 HG3 GLU 101 1HG GLU 101 9.754 4.862 -11.404 810 H ALA 102 H ALA 102 9.107 2.096 -7.961 811 HA ALA 102 HA ALA 102 10.299 -0.442 -7.986 812 HB1 ALA 102 1HB ALA 102 10.878 1.394 -6.388 813 HB2 ALA 102 2HB ALA 102 10.620 -0.175 -5.613 814 HB3 ALA 102 3HB ALA 102 9.366 1.035 -5.530 815 H MET 103 H MET 103 7.195 0.634 -6.680 816 HA MET 103 HA MET 103 6.467 -1.793 -5.578 817 HB2 MET 103 2HB MET 103 5.422 0.180 -4.787 818 HB3 MET 103 1HB MET 103 4.869 0.613 -6.396 819 HG2 MET 103 2HG MET 103 3.352 -0.942 -6.468 820 HG3 MET 103 1HG MET 103 3.935 -1.903 -5.065 821 HE1 MET 103 3HE MET 103 3.221 1.936 -5.682 822 HE2 MET 103 1HE MET 103 1.587 2.079 -5.035 823 HE3 MET 103 2HE MET 103 1.882 1.082 -6.461 824 H LYS 104 H LYS 104 5.674 -0.438 -8.833 825 HA LYS 104 HA LYS 104 4.023 -2.568 -9.540 826 HB2 LYS 104 2HB LYS 104 4.200 -1.854 -11.775 827 HB3 LYS 104 1HB LYS 104 4.119 -0.458 -10.730 828 HG2 LYS 104 2HG LYS 104 6.364 0.054 -11.077 829 HG3 LYS 104 1HG LYS 104 6.655 -1.485 -11.914 830 HD2 LYS 104 2HD LYS 104 5.050 -0.941 -13.538 831 HD3 LYS 104 1HD LYS 104 4.693 0.568 -12.703 832 HE2 LYS 104 2HE LYS 104 6.979 1.386 -13.168 833 HE3 LYS 104 1HE LYS 104 7.369 -0.171 -13.914 834 HZ1 LYS 104 3HZ LYS 104 6.888 1.577 -15.554 835 HZ2 LYS 104 1HZ LYS 104 5.317 1.713 -14.960 836 HZ3 LYS 104 2HZ LYS 104 5.841 0.280 -15.674 837 H SER 105 H SER 105 7.488 -2.144 -9.665 838 HA SER 105 HA SER 105 8.186 -4.288 -11.301 839 HB2 SER 105 2HB SER 105 9.740 -2.499 -10.637 840 HB3 SER 105 1HB SER 105 9.702 -3.083 -8.978 841 HG SER 105 HG SER 105 11.330 -4.205 -9.593 842 H HIS 106 H HIS 106 7.871 -4.101 -7.775 843 HA HIS 106 HA HIS 106 8.546 -6.833 -7.357 844 HB2 HIS 106 2HB HIS 106 8.681 -5.125 -5.564 845 HB3 HIS 106 1HB HIS 106 6.920 -5.077 -5.524 846 HD1 HIS 106 1HD HIS 106 5.940 -6.559 -3.775 847 HD2 HIS 106 2HD HIS 106 9.432 -8.019 -5.387 848 HE1 HIS 106 1HE HIS 106 6.346 -8.591 -2.508 849 HE2 HIS 106 2HE HIS 106 8.736 -9.221 -3.143 850 H CYS 107 H CYS 107 5.533 -5.203 -7.945 851 HA CYS 107 HA CYS 107 3.895 -7.383 -7.326 852 HB2 CYS 107 2HB CYS 107 3.429 -5.065 -9.192 853 HB3 CYS 107 1HB CYS 107 2.178 -6.189 -8.669 854 HG CYS 107 HG CYS 107 3.773 -3.785 -6.934 855 H LEU 108 H LEU 108 5.669 -6.488 -10.223 856 HA LEU 108 HA LEU 108 4.525 -8.379 -11.969 857 HB2 LEU 108 2HB LEU 108 7.287 -7.195 -11.936 858 HB3 LEU 108 1HB LEU 108 6.551 -8.037 -13.281 859 HG LEU 108 HG LEU 108 5.663 -5.403 -12.132 860 HD11 LEU 108 1HD1 LEU 108 6.988 -6.100 -14.733 861 HD12 LEU 108 2HD1 LEU 108 7.725 -5.276 -13.353 862 HD13 LEU 108 3HD1 LEU 108 6.424 -4.493 -14.261 863 HD21 LEU 108 3HD2 LEU 108 3.808 -6.711 -12.911 864 HD22 LEU 108 1HD2 LEU 108 4.598 -6.981 -14.464 865 HD23 LEU 108 2HD2 LEU 108 4.090 -5.344 -14.001 866 H LYS 109 H LYS 109 7.276 -8.450 -9.757 867 HA LYS 109 HA LYS 109 8.396 -10.901 -10.588 868 HB2 LYS 109 2HB LYS 109 8.515 -9.616 -7.861 869 HB3 LYS 109 1HB LYS 109 9.642 -10.804 -8.514 870 HG2 LYS 109 2HG LYS 109 10.205 -9.275 -10.284 871 HG3 LYS 109 1HG LYS 109 9.140 -8.070 -9.619 872 HD2 LYS 109 2HD LYS 109 11.419 -7.547 -8.929 873 HD3 LYS 109 1HD LYS 109 10.463 -8.011 -7.524 874 HE2 LYS 109 2HE LYS 109 11.445 -10.231 -7.573 875 HE3 LYS 109 1HE LYS 109 12.340 -9.824 -9.033 876 HZ1 LYS 109 3HZ LYS 109 13.718 -9.654 -7.062 877 HZ2 LYS 109 1HZ LYS 109 12.681 -8.520 -6.384 878 HZ3 LYS 109 2HZ LYS 109 13.546 -8.145 -7.774 879 H ASN 110 H ASN 110 5.776 -10.182 -8.678 880 HA ASN 110 HA ASN 110 5.575 -12.988 -7.733 881 HB2 ASN 110 2HB ASN 110 4.527 -10.519 -6.368 882 HB3 ASN 110 1HB ASN 110 4.171 -12.164 -5.843 883 HD21 ASN 110 1HD2 ASN 110 6.658 -9.791 -6.272 884 HD22 ASN 110 2HD2 ASN 110 7.824 -10.520 -5.223 885 H GLY 111 H GLY 111 4.219 -11.019 -9.955 886 HA2 GLY 111 2HA GLY 111 2.241 -11.006 -11.132 887 HA3 GLY 111 1HA GLY 111 2.066 -12.673 -10.593 888 H VAL 112 H VAL 112 1.977 -9.543 -8.995 889 HA VAL 112 HA VAL 112 -0.028 -10.441 -7.169 890 HB VAL 112 HB VAL 112 1.050 -7.639 -7.576 891 HG11 VAL 112 1HG1 VAL 112 -1.106 -7.618 -6.442 892 HG12 VAL 112 2HG1 VAL 112 0.194 -7.196 -5.328 893 HG13 VAL 112 3HG1 VAL 112 -0.518 -8.811 -5.283 894 HG21 VAL 112 3HG2 VAL 112 2.440 -8.113 -5.615 895 HG22 VAL 112 1HG2 VAL 112 2.789 -9.216 -6.946 896 HG23 VAL 112 2HG2 VAL 112 1.818 -9.764 -5.577 897 H THR 113 H THR 113 -0.029 -8.006 -9.546 898 HA THR 113 HA THR 113 -1.627 -6.901 -10.769 899 HB THR 113 HB THR 113 -3.491 -8.282 -11.761 900 HG1 THR 113 1HG THR 113 -2.864 -9.884 -9.718 901 HG21 THR 113 3HG2 THR 113 -0.729 -9.498 -11.890 902 HG22 THR 113 1HG2 THR 113 -1.306 -8.136 -12.853 903 HG23 THR 113 2HG2 THR 113 -2.015 -9.731 -13.070 904 H ASP 114 H ASP 114 -2.459 -7.621 -7.664 905 HA ASP 114 HA ASP 114 -4.791 -5.868 -7.871 906 HB2 ASP 114 2HB ASP 114 -4.658 -8.443 -6.274 907 HB3 ASP 114 1HB ASP 114 -5.923 -7.236 -6.104 908 H LEU 115 H LEU 115 -4.570 -4.181 -6.607 909 HA LEU 115 HA LEU 115 -2.993 -4.325 -4.130 910 HB2 LEU 115 2HB LEU 115 -2.746 -2.376 -6.384 911 HB3 LEU 115 1HB LEU 115 -2.130 -1.975 -4.808 912 HG LEU 115 HG LEU 115 -1.238 -4.303 -6.507 913 HD11 LEU 115 1HD1 LEU 115 0.821 -2.951 -6.800 914 HD12 LEU 115 2HD1 LEU 115 0.095 -1.653 -5.859 915 HD13 LEU 115 3HD1 LEU 115 -0.584 -2.087 -7.428 916 HD21 LEU 115 3HD2 LEU 115 0.575 -4.510 -4.888 917 HD22 LEU 115 1HD2 LEU 115 -1.006 -4.709 -4.133 918 HD23 LEU 115 2HD2 LEU 115 -0.120 -3.195 -3.936 919 H SER 116 H SER 116 -3.685 -2.971 -2.496 920 HA SER 116 HA SER 116 -5.897 -1.186 -3.067 921 HB2 SER 116 2HB SER 116 -6.953 -1.930 -0.904 922 HB3 SER 116 1HB SER 116 -6.934 -3.186 -2.139 923 HG SER 116 HG SER 116 -4.895 -3.859 -1.056 924 H MET 117 H MET 117 -5.767 0.743 -1.950 925 HA MET 117 HA MET 117 -3.943 1.035 0.252 926 HB2 MET 117 2HB MET 117 -2.472 2.679 -0.774 927 HB3 MET 117 1HB MET 117 -2.467 1.257 -1.779 928 HG2 MET 117 2HG MET 117 -4.065 2.379 -3.351 929 HG3 MET 117 1HG MET 117 -3.975 3.810 -2.334 930 HE1 MET 117 3HE MET 117 -0.462 2.111 -4.781 931 HE2 MET 117 1HE MET 117 -2.068 1.379 -4.724 932 HE3 MET 117 2HE MET 117 -1.034 1.343 -3.303 933 HA PRO 118 HA PRO 118 -6.941 4.260 0.912 934 HB2 PRO 118 2HB PRO 118 -5.752 5.896 2.627 935 HB3 PRO 118 1HB PRO 118 -5.998 4.206 3.082 936 HG2 PRO 118 2HG PRO 118 -3.517 5.555 2.107 937 HG3 PRO 118 1HG PRO 118 -3.708 4.359 3.400 938 HD2 PRO 118 2HD PRO 118 -2.902 3.801 0.811 939 HD3 PRO 118 1HD PRO 118 -3.579 2.608 1.939 940 H ARG 119 H ARG 119 -6.914 6.834 1.116 941 HA ARG 119 HA ARG 119 -5.883 7.810 -1.364 942 HB2 ARG 119 2HB ARG 119 -6.957 9.984 -0.671 943 HB3 ARG 119 1HB ARG 119 -8.061 8.615 -0.719 944 HG2 ARG 119 2HG ARG 119 -7.832 8.371 1.708 945 HG3 ARG 119 1HG ARG 119 -6.778 9.778 1.728 946 HD2 ARG 119 2HD ARG 119 -8.618 11.138 0.855 947 HD3 ARG 119 1HD ARG 119 -9.656 9.701 0.874 948 HE ARG 119 HE ARG 119 -8.333 10.622 3.296 949 HH11 ARG 119 1HH1 ARG 119 -11.351 10.116 1.540 950 HH12 ARG 119 2HH1 ARG 119 -12.320 10.083 2.935 951 HH21 ARG 119 1HH2 ARG 119 -9.635 10.566 5.202 952 HH22 ARG 119 2HH2 ARG 119 -11.314 10.296 5.079 953 H ILE 120 H ILE 120 -3.784 7.401 -1.004 954 HA ILE 120 HA ILE 120 -2.150 8.317 1.023 955 HB ILE 120 HB ILE 120 -0.273 7.934 -0.642 956 HG12 ILE 120 2HG1 ILE 120 -2.629 7.269 -2.430 957 HG13 ILE 120 1HG1 ILE 120 -1.423 8.522 -2.702 958 HG21 ILE 120 1HG2 ILE 120 -1.050 6.172 0.848 959 HG22 ILE 120 2HG2 ILE 120 -0.630 5.502 -0.729 960 HG23 ILE 120 3HG2 ILE 120 -2.321 5.745 -0.298 961 HD11 ILE 120 3HD1 ILE 120 -1.108 6.679 -4.155 962 HD12 ILE 120 1HD1 ILE 120 -1.072 5.542 -2.833 963 HD13 ILE 120 2HD1 ILE 120 0.261 6.707 -3.028 964 H GLY 121 H GLY 121 -1.817 10.294 1.661 965 HA2 GLY 121 2HA GLY 121 -0.745 12.377 1.473 966 HA3 GLY 121 1HA GLY 121 -0.914 12.281 -0.274 967 H CYS 122 H CYS 122 -3.509 11.845 -0.622 968 HA CYS 122 HA CYS 122 -5.601 12.738 -0.774 969 HB2 CYS 122 2HB CYS 122 -4.973 14.179 1.817 970 HB3 CYS 122 1HB CYS 122 -6.568 14.014 1.095 971 HG CYS 122 HG CYS 122 -5.050 11.084 1.632 972 H GLY 123 H GLY 123 -3.550 15.277 0.551 973 HA2 GLY 123 2HA GLY 123 -2.998 16.863 -1.491 974 HA3 GLY 123 1HA GLY 123 -4.705 17.239 -1.235 975 H LEU 124 H LEU 124 -1.859 18.451 -0.601 976 HA LEU 124 HA LEU 124 -2.762 19.490 1.971 977 HB2 LEU 124 2HB LEU 124 -1.122 17.801 2.494 978 HB3 LEU 124 1HB LEU 124 0.031 18.498 1.386 979 HG LEU 124 HG LEU 124 0.149 20.509 2.849 980 HD11 LEU 124 1HD1 LEU 124 -2.025 20.361 3.899 981 HD12 LEU 124 2HD1 LEU 124 -0.753 20.371 5.120 982 HD13 LEU 124 3HD1 LEU 124 -1.559 18.859 4.703 983 HD21 LEU 124 3HD2 LEU 124 1.802 18.729 3.032 984 HD22 LEU 124 1HD2 LEU 124 0.771 17.872 4.179 985 HD23 LEU 124 2HD2 LEU 124 1.469 19.434 4.612 986 H ASP 125 H ASP 125 0.182 20.061 0.067 987 HA ASP 125 HA ASP 125 -0.830 22.766 -0.390 988 HB2 ASP 125 2HB ASP 125 0.783 22.818 1.489 989 HB3 ASP 125 1HB ASP 125 2.003 22.088 0.464 990 H ARG 126 H ARG 126 2.292 21.293 -1.338 991 HA ARG 126 HA ARG 126 1.612 21.922 -4.050 992 HB2 ARG 126 2HB ARG 126 4.146 21.246 -2.741 993 HB3 ARG 126 1HB ARG 126 3.967 20.550 -4.345 994 HG2 ARG 126 2HG ARG 126 5.067 22.747 -4.406 995 HG3 ARG 126 1HG ARG 126 3.552 22.727 -5.303 996 HD2 ARG 126 2HD ARG 126 2.454 23.675 -3.252 997 HD3 ARG 126 1HD ARG 126 4.065 23.870 -2.577 998 HE ARG 126 HE ARG 126 4.118 25.079 -5.027 999 HH11 ARG 126 1HH1 ARG 126 2.413 25.454 -1.960 1000 HH12 ARG 126 2HH1 ARG 126 2.063 27.103 -2.169 1001 HH21 ARG 126 1HH2 ARG 126 3.636 27.399 -5.339 1002 HH22 ARG 126 2HH2 ARG 126 2.779 28.231 -4.129 1003 H LEU 127 H LEU 127 1.343 19.108 -2.172 1004 HA LEU 127 HA LEU 127 0.888 17.735 -4.659 1005 HB2 LEU 127 2HB LEU 127 1.113 16.604 -1.922 1006 HB3 LEU 127 1HB LEU 127 0.603 15.646 -3.318 1007 HG LEU 127 HG LEU 127 2.842 16.425 -4.283 1008 HD11 LEU 127 1HD1 LEU 127 3.426 18.059 -2.692 1009 HD12 LEU 127 2HD1 LEU 127 4.620 16.759 -2.667 1010 HD13 LEU 127 3HD1 LEU 127 3.406 16.870 -1.386 1011 HD21 LEU 127 3HD2 LEU 127 3.978 14.486 -3.310 1012 HD22 LEU 127 1HD2 LEU 127 2.318 14.165 -3.822 1013 HD23 LEU 127 2HD2 LEU 127 2.682 14.356 -2.103 1014 H GLN 128 H GLN 128 -0.873 16.891 -5.309 1015 HA GLN 128 HA GLN 128 -3.314 17.326 -3.826 1016 HB2 GLN 128 2HB GLN 128 -3.136 19.214 -5.273 1017 HB3 GLN 128 1HB GLN 128 -2.552 18.224 -6.598 1018 HG2 GLN 128 2HG GLN 128 -4.792 18.897 -7.030 1019 HG3 GLN 128 1HG GLN 128 -4.640 17.157 -6.731 1020 HE21 GLN 128 1HE2 GLN 128 -6.944 19.034 -6.524 1021 HE22 GLN 128 2HE2 GLN 128 -7.594 18.779 -4.943 1022 H TRP 129 H TRP 129 -4.815 15.691 -4.248 1023 HA TRP 129 HA TRP 129 -3.825 13.192 -4.930 1024 HB2 TRP 129 2HB TRP 129 -5.819 13.422 -3.539 1025 HB3 TRP 129 1HB TRP 129 -6.733 14.052 -4.910 1026 HD1 TRP 129 HD TRP 129 -7.902 12.299 -6.433 1027 HE1 TRP 129 1HE TRP 129 -7.874 9.748 -6.601 1028 HE3 TRP 129 3HE TRP 129 -4.168 11.352 -3.110 1029 HZ2 TRP 129 2HZ TRP 129 -6.385 7.549 -5.427 1030 HZ3 TRP 129 3HZ TRP 129 -3.516 9.048 -2.692 1031 HH2 TRP 129 HH TRP 129 -4.604 7.182 -3.828 1032 H GLU 130 H GLU 130 -5.609 15.449 -6.926 1033 HA GLU 130 HA GLU 130 -6.073 14.010 -9.224 1034 HB2 GLU 130 2HB GLU 130 -6.809 16.306 -8.856 1035 HB3 GLU 130 1HB GLU 130 -5.152 16.868 -8.961 1036 HG2 GLU 130 2HG GLU 130 -5.079 16.123 -11.306 1037 HG3 GLU 130 1HG GLU 130 -6.774 15.647 -11.179 1038 H ASN 131 H ASN 131 -3.043 15.442 -8.146 1039 HA ASN 131 HA ASN 131 -1.674 14.824 -10.601 1040 HB2 ASN 131 2HB ASN 131 -0.490 15.663 -7.936 1041 HB3 ASN 131 1HB ASN 131 0.342 15.543 -9.479 1042 HD21 ASN 131 1HD2 ASN 131 0.023 17.799 -7.746 1043 HD22 ASN 131 2HD2 ASN 131 -0.698 19.052 -8.668 1044 H VAL 132 H VAL 132 -1.886 13.541 -7.368 1045 HA VAL 132 HA VAL 132 0.055 11.529 -7.564 1046 HB VAL 132 HB VAL 132 -2.485 11.561 -5.897 1047 HG11 VAL 132 1HG1 VAL 132 -1.601 9.298 -6.061 1048 HG12 VAL 132 2HG1 VAL 132 -1.346 9.944 -4.442 1049 HG13 VAL 132 3HG1 VAL 132 -0.003 9.865 -5.583 1050 HG21 VAL 132 3HG2 VAL 132 -1.014 12.350 -4.087 1051 HG22 VAL 132 1HG2 VAL 132 -1.045 13.471 -5.447 1052 HG23 VAL 132 2HG2 VAL 132 0.336 12.400 -5.220 1053 H SER 133 H SER 133 -3.486 11.366 -8.113 1054 HA SER 133 HA SER 133 -3.560 8.698 -8.812 1055 HB2 SER 133 2HB SER 133 -5.761 9.275 -9.832 1056 HB3 SER 133 1HB SER 133 -5.564 9.874 -8.193 1057 HG SER 133 HG SER 133 -5.366 11.353 -10.615 1058 H ALA 134 H ALA 134 -3.015 11.582 -10.768 1059 HA ALA 134 HA ALA 134 -3.110 10.359 -13.297 1060 HB1 ALA 134 1HB ALA 134 -3.176 12.789 -12.981 1061 HB2 ALA 134 2HB ALA 134 -1.874 12.336 -14.081 1062 HB3 ALA 134 3HB ALA 134 -1.512 12.763 -12.410 1063 H MET 135 H MET 135 -0.375 11.096 -11.193 1064 HA MET 135 HA MET 135 1.709 10.009 -12.655 1065 HB2 MET 135 2HB MET 135 2.057 11.339 -10.675 1066 HB3 MET 135 1HB MET 135 1.337 10.096 -9.666 1067 HG2 MET 135 2HG MET 135 3.158 8.563 -10.306 1068 HG3 MET 135 1HG MET 135 3.900 9.873 -11.223 1069 HE1 MET 135 3HE MET 135 4.736 12.423 -8.381 1070 HE2 MET 135 1HE MET 135 3.241 12.362 -9.321 1071 HE3 MET 135 2HE MET 135 4.800 12.108 -10.115 1072 H ILE 136 H ILE 136 -0.435 8.411 -10.334 1073 HA ILE 136 HA ILE 136 0.813 5.897 -10.366 1074 HB ILE 136 HB ILE 136 -2.105 6.567 -9.893 1075 HG12 ILE 136 2HG1 ILE 136 0.177 6.092 -7.966 1076 HG13 ILE 136 1HG1 ILE 136 -0.556 7.643 -8.331 1077 HG21 ILE 136 1HG2 ILE 136 -2.264 4.381 -8.771 1078 HG22 ILE 136 2HG2 ILE 136 -0.607 4.017 -9.245 1079 HG23 ILE 136 3HG2 ILE 136 -1.856 4.202 -10.478 1080 HD11 ILE 136 3HD1 ILE 136 -1.928 5.319 -6.994 1081 HD12 ILE 136 1HD1 ILE 136 -2.671 6.876 -7.364 1082 HD13 ILE 136 2HD1 ILE 136 -1.344 6.785 -6.204 1083 H GLU 137 H GLU 137 -1.728 7.253 -12.413 1084 HA GLU 137 HA GLU 137 -2.175 4.936 -13.958 1085 HB2 GLU 137 2HB GLU 137 -2.507 7.834 -14.742 1086 HB3 GLU 137 1HB GLU 137 -3.218 6.464 -15.585 1087 HG2 GLU 137 2HG GLU 137 -4.571 5.959 -13.622 1088 HG3 GLU 137 1HG GLU 137 -3.832 7.304 -12.757 1089 H GLU 138 H GLU 138 0.039 7.667 -14.262 1090 HA GLU 138 HA GLU 138 1.117 7.059 -16.793 1091 HB2 GLU 138 2HB GLU 138 2.566 8.382 -14.492 1092 HB3 GLU 138 1HB GLU 138 3.008 8.462 -16.185 1093 HG2 GLU 138 2HG GLU 138 0.848 9.679 -16.604 1094 HG3 GLU 138 1HG GLU 138 0.618 9.687 -14.847 1095 H VAL 139 H VAL 139 2.195 6.162 -13.543 1096 HA VAL 139 HA VAL 139 4.467 4.706 -14.435 1097 HB VAL 139 HB VAL 139 3.041 4.620 -11.750 1098 HG11 VAL 139 1HG1 VAL 139 4.265 2.539 -12.083 1099 HG12 VAL 139 2HG1 VAL 139 5.092 3.548 -10.898 1100 HG13 VAL 139 3HG1 VAL 139 5.707 3.450 -12.541 1101 HG21 VAL 139 3HG2 VAL 139 4.916 5.979 -10.976 1102 HG22 VAL 139 1HG2 VAL 139 4.079 6.786 -12.300 1103 HG23 VAL 139 2HG2 VAL 139 5.621 5.960 -12.579 1104 H PHE 140 H PHE 140 1.229 3.677 -13.430 1105 HA PHE 140 HA PHE 140 1.914 0.949 -13.872 1106 HB2 PHE 140 2HB PHE 140 -0.483 2.257 -12.787 1107 HB3 PHE 140 1HB PHE 140 -0.649 0.646 -13.469 1108 HD1 PHE 140 2HD PHE 140 0.773 -1.212 -12.576 1109 HD2 PHE 140 1HD PHE 140 0.465 2.584 -10.651 1110 HE1 PHE 140 2HE PHE 140 1.502 -2.208 -10.476 1111 HE2 PHE 140 1HE PHE 140 1.232 1.546 -8.546 1112 HZ PHE 140 HZ PHE 140 1.726 -0.928 -8.524 1113 H GLU 141 H GLU 141 0.699 3.282 -16.112 1114 HA GLU 141 HA GLU 141 -0.840 1.435 -17.466 1115 HB2 GLU 141 2HB GLU 141 -0.962 3.906 -17.736 1116 HB3 GLU 141 1HB GLU 141 0.585 3.847 -18.574 1117 HG2 GLU 141 2HG GLU 141 -1.352 3.954 -20.037 1118 HG3 GLU 141 1HG GLU 141 -0.293 2.540 -20.268 1119 H ALA 142 H ALA 142 -0.381 0.349 -19.375 1120 HA ALA 142 HA ALA 142 0.703 -1.029 -20.725 1121 HB1 ALA 142 1HB ALA 142 3.121 -1.087 -21.067 1122 HB2 ALA 142 2HB ALA 142 3.378 -0.133 -19.609 1123 HB3 ALA 142 3HB ALA 142 2.585 0.594 -21.008 1124 H THR 143 H THR 143 1.182 -1.009 -17.359 1125 HA THR 143 HA THR 143 1.428 -3.943 -17.411 1126 HB THR 143 HB THR 143 1.917 -3.828 -14.982 1127 HG1 THR 143 1HG THR 143 0.962 -1.259 -15.243 1128 HG21 THR 143 3HG2 THR 143 3.590 -1.805 -16.460 1129 HG22 THR 143 1HG2 THR 143 3.884 -3.555 -16.400 1130 HG23 THR 143 2HG2 THR 143 3.996 -2.579 -14.930 1131 H ASP 144 H ASP 144 -0.223 -5.053 -15.905 1132 HA ASP 144 HA ASP 144 -2.504 -3.282 -15.603 1133 HB2 ASP 144 2HB ASP 144 -2.877 -4.708 -17.603 1134 HB3 ASP 144 1HB ASP 144 -2.766 -6.136 -16.570 1135 H ILE 145 H ILE 145 -2.095 -2.966 -13.539 1136 HA ILE 145 HA ILE 145 -2.680 -5.212 -11.779 1137 HB ILE 145 HB ILE 145 -0.667 -2.926 -11.169 1138 HG12 ILE 145 2HG1 ILE 145 -0.176 -5.895 -11.591 1139 HG13 ILE 145 1HG1 ILE 145 0.044 -4.700 -12.851 1140 HG21 ILE 145 1HG2 ILE 145 -1.459 -5.279 -9.508 1141 HG22 ILE 145 2HG2 ILE 145 -1.901 -3.599 -9.218 1142 HG23 ILE 145 3HG2 ILE 145 -0.208 -4.086 -9.156 1143 HD11 ILE 145 3HD1 ILE 145 1.473 -4.670 -10.225 1144 HD12 ILE 145 1HD1 ILE 145 1.768 -3.654 -11.633 1145 HD13 ILE 145 2HD1 ILE 145 2.107 -5.389 -11.716 1146 H LYS 146 H LYS 146 -4.534 -4.847 -10.683 1147 HA LYS 146 HA LYS 146 -5.894 -2.334 -11.008 1148 HB2 LYS 146 2HB LYS 146 -6.981 -4.530 -11.154 1149 HB3 LYS 146 1HB LYS 146 -6.652 -4.749 -9.434 1150 HG2 LYS 146 2HG LYS 146 -7.878 -2.610 -9.042 1151 HG3 LYS 146 1HG LYS 146 -8.331 -2.665 -10.747 1152 HD2 LYS 146 2HD LYS 146 -10.125 -3.572 -9.696 1153 HD3 LYS 146 1HD LYS 146 -9.160 -4.968 -10.243 1154 HE2 LYS 146 2HE LYS 146 -9.254 -3.849 -7.406 1155 HE3 LYS 146 1HE LYS 146 -10.041 -5.326 -7.923 1156 HZ1 LYS 146 3HZ LYS 146 -7.094 -4.871 -7.868 1157 HZ2 LYS 146 1HZ LYS 146 -7.826 -6.366 -8.202 1158 HZ3 LYS 146 2HZ LYS 146 -7.966 -5.647 -6.705 1159 H ILE 147 H ILE 147 -6.075 -0.838 -9.544 1160 HA ILE 147 HA ILE 147 -4.949 -1.333 -6.879 1161 HB ILE 147 HB ILE 147 -4.965 1.211 -8.523 1162 HG12 ILE 147 2HG1 ILE 147 -2.604 -0.517 -7.796 1163 HG13 ILE 147 1HG1 ILE 147 -3.483 -0.696 -9.306 1164 HG21 ILE 147 1HG2 ILE 147 -5.049 1.622 -6.103 1165 HG22 ILE 147 2HG2 ILE 147 -3.466 2.064 -6.753 1166 HG23 ILE 147 3HG2 ILE 147 -3.670 0.547 -5.872 1167 HD11 ILE 147 3HD1 ILE 147 -1.466 0.608 -9.530 1168 HD12 ILE 147 1HD1 ILE 147 -2.107 1.794 -8.380 1169 HD13 ILE 147 2HD1 ILE 147 -2.908 1.540 -9.940 1170 H THR 148 H THR 148 -6.505 -1.249 -5.435 1171 HA THR 148 HA THR 148 -8.913 0.267 -6.053 1172 HB THR 148 HB THR 148 -8.533 -1.787 -3.852 1173 HG1 THR 148 1HG THR 148 -8.517 -3.150 -5.454 1174 HG21 THR 148 3HG2 THR 148 -10.994 -0.667 -5.202 1175 HG22 THR 148 1HG2 THR 148 -10.407 -0.210 -3.604 1176 HG23 THR 148 2HG2 THR 148 -10.974 -1.852 -3.892 1177 H VAL 149 H VAL 149 -8.993 2.195 -5.124 1178 HA VAL 149 HA VAL 149 -7.496 2.670 -2.664 1179 HB VAL 149 HB VAL 149 -8.614 4.641 -4.694 1180 HG11 VAL 149 1HG1 VAL 149 -8.754 5.565 -2.422 1181 HG12 VAL 149 2HG1 VAL 149 -7.511 6.389 -3.363 1182 HG13 VAL 149 3HG1 VAL 149 -7.052 5.189 -2.159 1183 HG21 VAL 149 3HG2 VAL 149 -6.596 3.460 -5.414 1184 HG22 VAL 149 1HG2 VAL 149 -5.770 3.977 -3.940 1185 HG23 VAL 149 2HG2 VAL 149 -6.292 5.172 -5.128 1186 H TYR 150 H TYR 150 -8.599 2.675 -0.895 1187 HA TYR 150 HA TYR 150 -11.471 2.926 -1.099 1188 HB2 TYR 150 2HB TYR 150 -9.776 1.857 1.137 1189 HB3 TYR 150 1HB TYR 150 -11.504 2.151 1.303 1190 HD1 TYR 150 2HD TYR 150 -13.120 0.826 -0.084 1191 HD2 TYR 150 1HD TYR 150 -8.961 -0.056 -0.016 1192 HE1 TYR 150 2HE TYR 150 -13.587 -1.394 -0.985 1193 HE2 TYR 150 1HE TYR 150 -9.420 -2.281 -0.921 1194 HH TYR 150 HH TYR 150 -12.371 -3.152 -2.291 1195 H THR 151 H THR 151 -12.501 4.567 -0.632 1196 HA THR 151 HA THR 151 -11.227 6.803 0.705 1197 HB THR 151 HB THR 151 -13.297 8.014 0.007 1198 HG1 THR 151 1HG THR 151 -14.360 5.757 -0.103 1199 HG21 THR 151 3HG2 THR 151 -11.328 8.008 -1.453 1200 HG22 THR 151 1HG2 THR 151 -12.814 8.003 -2.406 1201 HG23 THR 151 2HG2 THR 151 -11.884 6.514 -2.210 1202 H LEU 152 H LEU 152 -11.751 7.378 2.769 1203 HA LEU 152 HA LEU 152 -14.054 6.065 3.979 1204 HB2 LEU 152 2HB LEU 152 -11.756 5.030 4.531 1205 HB3 LEU 152 1HB LEU 152 -11.394 6.518 5.361 1206 HG LEU 152 HG LEU 152 -13.591 4.581 6.113 1207 HD11 LEU 152 1HD1 LEU 152 -11.423 3.626 6.496 1208 HD12 LEU 152 2HD1 LEU 152 -12.175 4.043 8.032 1209 HD13 LEU 152 3HD1 LEU 152 -10.902 5.066 7.365 1210 HD21 LEU 152 3HD2 LEU 152 -12.563 6.993 7.620 1211 HD22 LEU 152 1HD2 LEU 152 -13.764 5.842 8.197 1212 HD23 LEU 152 2HD2 LEU 152 -14.130 6.877 6.814 Start of MODEL 18 1 H GLU 1 H GLU 1 -15.617 -0.138 10.232 2 HA GLU 1 HA GLU 1 -14.554 -2.649 9.268 3 HB2 GLU 1 2HB GLU 1 -14.170 -3.263 11.671 4 HB3 GLU 1 1HB GLU 1 -13.168 -1.954 11.069 5 HG2 GLU 1 2HG GLU 1 -14.575 -0.351 12.158 6 HG3 GLU 1 1HG GLU 1 -15.650 -1.641 12.703 7 H ALA 2 H ALA 2 -15.931 -4.050 8.804 8 HA ALA 2 HA ALA 2 -18.180 -4.770 10.372 9 HB1 ALA 2 1HB ALA 2 -19.106 -2.733 9.346 10 HB2 ALA 2 2HB ALA 2 -19.877 -4.169 8.674 11 HB3 ALA 2 3HB ALA 2 -18.643 -3.320 7.747 12 H SER 3 H SER 3 -19.596 -6.084 8.401 13 HA SER 3 HA SER 3 -17.867 -8.186 7.654 14 HB2 SER 3 2HB SER 3 -20.655 -7.527 6.659 15 HB3 SER 3 1HB SER 3 -19.820 -9.059 6.419 16 HG SER 3 HG SER 3 -20.300 -7.970 8.995 17 H SER 4 H SER 4 -16.548 -8.308 5.973 18 HA SER 4 HA SER 4 -16.314 -6.184 4.124 19 HB2 SER 4 2HB SER 4 -14.339 -7.445 4.869 20 HB3 SER 4 1HB SER 4 -14.993 -8.921 4.166 21 HG SER 4 HG SER 4 -13.685 -6.801 2.942 22 H LEU 5 H LEU 5 -17.773 -5.887 2.622 23 HA LEU 5 HA LEU 5 -19.134 -8.131 1.418 24 HB2 LEU 5 2HB LEU 5 -19.417 -5.162 0.961 25 HB3 LEU 5 1HB LEU 5 -20.452 -6.400 0.276 26 HG LEU 5 HG LEU 5 -20.187 -5.748 3.205 27 HD11 LEU 5 1HD1 LEU 5 -22.365 -5.176 1.219 28 HD12 LEU 5 2HD1 LEU 5 -21.318 -3.998 2.000 29 HD13 LEU 5 3HD1 LEU 5 -22.487 -4.904 2.958 30 HD21 LEU 5 3HD2 LEU 5 -22.018 -7.676 1.771 31 HD22 LEU 5 1HD2 LEU 5 -22.107 -7.261 3.484 32 HD23 LEU 5 2HD2 LEU 5 -20.696 -8.104 2.860 33 H ASN 6 H ASN 6 -18.173 -9.116 -0.158 34 HA ASN 6 HA ASN 6 -15.923 -8.026 -1.466 35 HB2 ASN 6 2HB ASN 6 -15.886 -10.103 -2.812 36 HB3 ASN 6 1HB ASN 6 -15.951 -10.412 -1.084 37 HD21 ASN 6 1HD2 ASN 6 -16.685 -12.013 -3.465 38 HD22 ASN 6 2HD2 ASN 6 -18.324 -12.498 -3.216 39 H GLU 7 H GLU 7 -16.050 -6.498 -2.856 40 HA GLU 7 HA GLU 7 -17.964 -6.796 -5.026 41 HB2 GLU 7 2HB GLU 7 -16.857 -4.279 -3.812 42 HB3 GLU 7 1HB GLU 7 -17.678 -4.319 -5.367 43 HG2 GLU 7 2HG GLU 7 -19.637 -5.218 -4.312 44 HG3 GLU 7 1HG GLU 7 -18.855 -5.136 -2.730 45 H ASP 8 H ASP 8 -17.281 -6.539 -7.000 46 HA ASP 8 HA ASP 8 -14.450 -7.005 -7.441 47 HB2 ASP 8 2HB ASP 8 -16.121 -8.367 -8.660 48 HB3 ASP 8 1HB ASP 8 -16.771 -6.910 -9.391 49 HA PRO 9 HA PRO 9 -13.232 -2.790 -8.265 50 HB2 PRO 9 2HB PRO 9 -11.956 -4.163 -10.590 51 HB3 PRO 9 1HB PRO 9 -11.277 -2.938 -9.512 52 HG2 PRO 9 2HG PRO 9 -10.647 -5.507 -9.164 53 HG3 PRO 9 1HG PRO 9 -10.923 -4.431 -7.783 54 HD2 PRO 9 2HD PRO 9 -12.625 -6.618 -8.842 55 HD3 PRO 9 1HD PRO 9 -12.517 -5.959 -7.196 56 H GLU 10 H GLU 10 -13.870 -1.199 -9.576 57 HA GLU 10 HA GLU 10 -16.354 -1.614 -10.845 58 HB2 GLU 10 2HB GLU 10 -15.867 0.369 -9.550 59 HB3 GLU 10 1HB GLU 10 -14.619 0.835 -10.687 60 HG2 GLU 10 2HG GLU 10 -16.279 1.241 -12.385 61 HG3 GLU 10 1HG GLU 10 -17.553 0.654 -11.314 62 H GLY 11 H GLY 11 -13.217 -1.538 -12.132 63 HA2 GLY 11 2HA GLY 11 -12.973 -2.416 -14.418 64 HA3 GLY 11 1HA GLY 11 -14.356 -1.405 -14.852 65 H SER 12 H SER 12 -12.965 0.437 -12.785 66 HA SER 12 HA SER 12 -11.417 1.904 -14.721 67 HB2 SER 12 2HB SER 12 -13.195 3.066 -13.410 68 HB3 SER 12 1HB SER 12 -12.397 2.578 -11.917 69 HG SER 12 HG SER 12 -10.945 4.055 -12.177 70 H ARG 13 H ARG 13 -9.252 1.971 -14.517 71 HA ARG 13 HA ARG 13 -7.808 0.036 -13.198 72 HB2 ARG 13 2HB ARG 13 -7.272 1.641 -15.138 73 HB3 ARG 13 1HB ARG 13 -6.764 2.764 -13.894 74 HG2 ARG 13 2HG ARG 13 -5.654 0.022 -14.349 75 HG3 ARG 13 1HG ARG 13 -4.985 1.546 -14.949 76 HD2 ARG 13 2HD ARG 13 -5.334 0.745 -12.065 77 HD3 ARG 13 1HD ARG 13 -3.802 0.808 -12.938 78 HE ARG 13 HE ARG 13 -5.499 3.159 -12.494 79 HH11 ARG 13 1HH1 ARG 13 -2.339 1.673 -12.662 80 HH12 ARG 13 2HH1 ARG 13 -1.481 3.057 -12.187 81 HH21 ARG 13 1HH2 ARG 13 -4.445 5.030 -11.870 82 HH22 ARG 13 2HH2 ARG 13 -2.755 5.092 -11.702 83 H ILE 14 H ILE 14 -8.222 3.499 -12.122 84 HA ILE 14 HA ILE 14 -7.756 2.497 -9.420 85 HB ILE 14 HB ILE 14 -8.164 5.304 -10.449 86 HG12 ILE 14 2HG1 ILE 14 -5.770 4.132 -9.045 87 HG13 ILE 14 1HG1 ILE 14 -5.857 4.351 -10.795 88 HG21 ILE 14 1HG2 ILE 14 -9.242 5.147 -8.285 89 HG22 ILE 14 2HG2 ILE 14 -7.774 6.105 -8.112 90 HG23 ILE 14 3HG2 ILE 14 -7.802 4.431 -7.577 91 HD11 ILE 14 3HD1 ILE 14 -5.864 6.500 -8.667 92 HD12 ILE 14 1HD1 ILE 14 -6.028 6.784 -10.393 93 HD13 ILE 14 2HD1 ILE 14 -4.538 6.106 -9.761 94 H THR 15 H THR 15 -9.356 1.936 -8.336 95 HA THR 15 HA THR 15 -12.065 2.873 -9.025 96 HB THR 15 HB THR 15 -11.256 0.348 -7.558 97 HG1 THR 15 1HG THR 15 -11.031 0.545 -9.989 98 HG21 THR 15 3HG2 THR 15 -13.408 1.214 -6.748 99 HG22 THR 15 1HG2 THR 15 -13.646 -0.270 -7.673 100 HG23 THR 15 2HG2 THR 15 -14.005 1.296 -8.402 101 H TYR 16 H TYR 16 -13.018 4.132 -7.599 102 HA TYR 16 HA TYR 16 -11.695 4.600 -5.042 103 HB2 TYR 16 2HB TYR 16 -13.928 6.135 -6.380 104 HB3 TYR 16 1HB TYR 16 -13.139 6.590 -4.878 105 HD1 TYR 16 2HD TYR 16 -10.676 7.209 -4.953 106 HD2 TYR 16 1HD TYR 16 -13.037 6.744 -8.462 107 HE1 TYR 16 2HE TYR 16 -9.033 8.514 -6.229 108 HE2 TYR 16 1HE TYR 16 -11.394 8.041 -9.744 109 HH TYR 16 HH TYR 16 -9.715 9.756 -9.258 110 H VAL 17 H VAL 17 -12.427 3.709 -3.275 111 HA VAL 17 HA VAL 17 -15.273 3.001 -3.088 112 HB VAL 17 HB VAL 17 -12.943 1.362 -2.001 113 HG11 VAL 17 1HG1 VAL 17 -14.622 -0.301 -1.374 114 HG12 VAL 17 2HG1 VAL 17 -15.900 0.767 -1.952 115 HG13 VAL 17 3HG1 VAL 17 -14.917 1.237 -0.565 116 HG21 VAL 17 3HG2 VAL 17 -13.616 -0.369 -3.599 117 HG22 VAL 17 1HG2 VAL 17 -13.118 1.112 -4.416 118 HG23 VAL 17 2HG2 VAL 17 -14.832 0.720 -4.268 119 H LYS 18 H LYS 18 -16.212 3.494 -1.054 120 HA LYS 18 HA LYS 18 -14.514 5.024 0.681 121 HB2 LYS 18 2HB LYS 18 -16.553 6.030 -0.176 122 HB3 LYS 18 1HB LYS 18 -17.481 4.658 0.429 123 HG2 LYS 18 2HG LYS 18 -16.901 5.209 2.622 124 HG3 LYS 18 1HG LYS 18 -15.937 6.598 2.070 125 HD2 LYS 18 2HD LYS 18 -17.979 7.582 1.070 126 HD3 LYS 18 1HD LYS 18 -18.919 6.213 1.665 127 HE2 LYS 18 2HE LYS 18 -18.342 6.839 3.959 128 HE3 LYS 18 1HE LYS 18 -17.437 8.220 3.353 129 HZ1 LYS 18 3HZ LYS 18 -19.661 8.831 4.087 130 HZ2 LYS 18 1HZ LYS 18 -20.343 7.766 2.977 131 HZ3 LYS 18 2HZ LYS 18 -19.483 9.111 2.424 132 H GLY 19 H GLY 19 -13.658 3.835 2.291 133 HA2 GLY 19 2HA GLY 19 -15.205 2.211 3.968 134 HA3 GLY 19 1HA GLY 19 -14.405 1.188 2.786 135 H ASP 20 H ASP 20 -12.684 0.257 3.635 136 HA ASP 20 HA ASP 20 -10.762 1.830 5.162 137 HB2 ASP 20 2HB ASP 20 -12.548 0.676 6.689 138 HB3 ASP 20 1HB ASP 20 -11.810 -0.800 6.148 139 H LEU 21 H LEU 21 -8.729 0.565 5.295 140 HA LEU 21 HA LEU 21 -8.406 -1.066 2.932 141 HB2 LEU 21 2HB LEU 21 -6.401 -0.105 4.912 142 HB3 LEU 21 1HB LEU 21 -6.051 -1.063 3.486 143 HG LEU 21 HG LEU 21 -7.115 1.747 3.546 144 HD11 LEU 21 1HD1 LEU 21 -5.048 2.210 2.458 145 HD12 LEU 21 2HD1 LEU 21 -4.718 0.475 2.404 146 HD13 LEU 21 3HD1 LEU 21 -4.729 1.296 3.965 147 HD21 LEU 21 3HD2 LEU 21 -8.204 0.503 1.756 148 HD22 LEU 21 1HD2 LEU 21 -6.640 -0.099 1.220 149 HD23 LEU 21 2HD2 LEU 21 -7.005 1.623 1.109 150 H PHE 22 H PHE 22 -8.827 -1.544 6.289 151 HA PHE 22 HA PHE 22 -7.608 -4.133 6.187 152 HB2 PHE 22 2HB PHE 22 -9.106 -2.695 8.381 153 HB3 PHE 22 1HB PHE 22 -8.507 -4.342 8.551 154 HD1 PHE 22 1HD PHE 22 -6.072 -4.775 8.459 155 HD2 PHE 22 2HD PHE 22 -7.590 -0.772 8.613 156 HE1 PHE 22 1HE PHE 22 -3.868 -3.946 9.143 157 HE2 PHE 22 2HE PHE 22 -5.399 0.023 9.291 158 HZ PHE 22 HZ PHE 22 -3.529 -1.552 9.559 159 H ALA 23 H ALA 23 -10.484 -2.913 5.143 160 HA ALA 23 HA ALA 23 -11.890 -5.465 5.477 161 HB1 ALA 23 1HB ALA 23 -13.132 -3.421 6.033 162 HB2 ALA 23 2HB ALA 23 -13.863 -4.261 4.666 163 HB3 ALA 23 3HB ALA 23 -12.881 -2.822 4.393 164 H CYS 24 H CYS 24 -9.582 -4.677 3.538 165 HA CYS 24 HA CYS 24 -10.623 -4.683 0.904 166 HB2 CYS 24 2HB CYS 24 -8.258 -5.080 0.210 167 HB3 CYS 24 1HB CYS 24 -8.451 -3.735 1.327 168 HG CYS 24 HG CYS 24 -6.958 -4.530 3.129 169 HA PRO 25 HA PRO 25 -11.353 -9.013 -0.048 170 HB2 PRO 25 2HB PRO 25 -10.011 -8.507 -2.646 171 HB3 PRO 25 1HB PRO 25 -11.643 -9.095 -2.324 172 HG2 PRO 25 2HG PRO 25 -11.297 -6.626 -3.182 173 HG3 PRO 25 1HG PRO 25 -12.468 -6.961 -1.891 174 HD2 PRO 25 2HD PRO 25 -9.683 -5.865 -1.672 175 HD3 PRO 25 1HD PRO 25 -11.183 -5.310 -0.893 176 H LYS 26 H LYS 26 -10.212 -10.948 -1.135 177 HA LYS 26 HA LYS 26 -7.867 -11.455 0.415 178 HB2 LYS 26 2HB LYS 26 -9.187 -13.184 -1.649 179 HB3 LYS 26 1HB LYS 26 -7.977 -13.689 -0.477 180 HG2 LYS 26 2HG LYS 26 -9.526 -13.052 1.327 181 HG3 LYS 26 1HG LYS 26 -10.743 -12.696 0.103 182 HD2 LYS 26 2HD LYS 26 -10.521 -15.014 -0.709 183 HD3 LYS 26 1HD LYS 26 -9.399 -15.293 0.631 184 HE2 LYS 26 2HE LYS 26 -11.676 -16.075 1.196 185 HE3 LYS 26 1HE LYS 26 -11.131 -14.774 2.250 186 HZ1 LYS 26 3HZ LYS 26 -12.445 -13.216 0.922 187 HZ2 LYS 26 1HZ LYS 26 -13.427 -14.422 1.537 188 HZ3 LYS 26 2HZ LYS 26 -12.957 -14.454 -0.077 189 H THR 27 H THR 27 -8.493 -10.745 -2.953 190 HA THR 27 HA THR 27 -5.979 -11.719 -3.888 191 HB THR 27 HB THR 27 -6.828 -10.487 -5.959 192 HG1 THR 27 1HG THR 27 -8.448 -9.179 -5.146 193 HG21 THR 27 3HG2 THR 27 -8.365 -12.361 -6.465 194 HG22 THR 27 1HG2 THR 27 -8.401 -12.782 -4.752 195 HG23 THR 27 2HG2 THR 27 -6.902 -12.933 -5.667 196 H ASP 28 H ASP 28 -7.009 -8.860 -2.504 197 HA ASP 28 HA ASP 28 -5.216 -7.157 -4.012 198 HB2 ASP 28 2HB ASP 28 -7.133 -6.528 -1.783 199 HB3 ASP 28 1HB ASP 28 -6.094 -5.338 -2.559 200 H SER 29 H SER 29 -3.421 -6.141 -3.288 201 HA SER 29 HA SER 29 -2.496 -7.032 -0.694 202 HB2 SER 29 2HB SER 29 -0.992 -5.888 -3.081 203 HB3 SER 29 1HB SER 29 -0.245 -6.330 -1.542 204 HG SER 29 HG SER 29 -1.773 -8.098 -3.104 205 H LEU 30 H LEU 30 -0.948 -4.875 0.091 206 HA LEU 30 HA LEU 30 -2.906 -2.728 -0.185 207 HB2 LEU 30 2HB LEU 30 -3.265 -4.359 1.767 208 HB3 LEU 30 1HB LEU 30 -1.812 -3.671 2.440 209 HG LEU 30 HG LEU 30 -4.336 -2.155 1.855 210 HD11 LEU 30 1HD1 LEU 30 -4.701 -3.784 3.542 211 HD12 LEU 30 2HD1 LEU 30 -4.624 -2.188 4.311 212 HD13 LEU 30 3HD1 LEU 30 -3.249 -3.294 4.406 213 HD21 LEU 30 3HD2 LEU 30 -1.799 -1.403 3.282 214 HD22 LEU 30 1HD2 LEU 30 -3.259 -0.406 3.327 215 HD23 LEU 30 2HD2 LEU 30 -2.462 -0.752 1.777 216 H ALA 31 H ALA 31 -1.999 -0.721 -0.056 217 HA ALA 31 HA ALA 31 0.862 -0.522 0.531 218 HB1 ALA 31 1HB ALA 31 -0.456 0.542 -1.958 219 HB2 ALA 31 2HB ALA 31 0.617 -0.854 -1.872 220 HB3 ALA 31 3HB ALA 31 1.235 0.755 -1.494 221 H HIS 32 H HIS 32 1.555 1.523 1.146 222 HA HIS 32 HA HIS 32 0.047 3.883 0.942 223 HB2 HIS 32 2HB HIS 32 -0.335 4.370 3.363 224 HB3 HIS 32 1HB HIS 32 -1.299 3.013 2.811 225 HD1 HIS 32 1HD HIS 32 1.468 3.937 5.153 226 HD2 HIS 32 2HD HIS 32 -0.623 0.548 3.953 227 HE1 HIS 32 1HE HIS 32 2.034 2.178 6.836 228 HE2 HIS 32 2HE HIS 32 0.891 0.091 6.013 229 H CYS 33 H CYS 33 1.226 5.701 2.327 230 HA CYS 33 HA CYS 33 4.042 5.165 1.830 231 HB2 CYS 33 2HB CYS 33 4.214 7.644 1.771 232 HB3 CYS 33 1HB CYS 33 3.133 6.973 0.558 233 HG CYS 33 HG CYS 33 2.097 8.347 3.504 234 H ILE 34 H ILE 34 5.647 5.631 3.246 235 HA ILE 34 HA ILE 34 5.118 6.758 5.857 236 HB ILE 34 HB ILE 34 6.407 5.072 7.085 237 HG12 ILE 34 2HG1 ILE 34 6.370 3.404 4.587 238 HG13 ILE 34 1HG1 ILE 34 7.745 4.335 5.163 239 HG21 ILE 34 1HG2 ILE 34 4.021 4.808 7.107 240 HG22 ILE 34 2HG2 ILE 34 4.816 3.236 7.153 241 HG23 ILE 34 3HG2 ILE 34 4.089 3.818 5.652 242 HD11 ILE 34 3HD1 ILE 34 6.439 2.111 6.707 243 HD12 ILE 34 1HD1 ILE 34 7.860 3.035 7.191 244 HD13 ILE 34 2HD1 ILE 34 7.937 1.973 5.784 245 H SER 35 H SER 35 7.354 6.994 7.021 246 HA SER 35 HA SER 35 9.123 8.182 5.101 247 HB2 SER 35 2HB SER 35 10.315 8.927 7.147 248 HB3 SER 35 1HB SER 35 8.641 9.459 7.103 249 HG SER 35 HG SER 35 8.353 8.404 8.909 250 H GLU 36 H GLU 36 11.353 7.757 4.998 251 HA GLU 36 HA GLU 36 12.078 5.047 4.895 252 HB2 GLU 36 2HB GLU 36 14.469 6.084 4.660 253 HB3 GLU 36 1HB GLU 36 13.325 6.271 3.339 254 HG2 GLU 36 2HG GLU 36 12.904 8.454 4.078 255 HG3 GLU 36 1HG GLU 36 13.991 8.263 5.483 256 H ASP 37 H ASP 37 12.527 7.379 7.382 257 HA ASP 37 HA ASP 37 14.276 5.569 8.883 258 HB2 ASP 37 2HB ASP 37 14.733 8.029 8.777 259 HB3 ASP 37 1HB ASP 37 13.202 8.322 9.579 260 H CYS 38 H CYS 38 11.098 5.704 8.302 261 HA CYS 38 HA CYS 38 9.240 4.848 9.171 262 HB2 CYS 38 2HB CYS 38 11.161 3.441 11.026 263 HB3 CYS 38 1HB CYS 38 9.425 3.142 11.032 264 HG CYS 38 HG CYS 38 10.596 1.077 9.755 265 H ARG 39 H ARG 39 10.258 7.343 10.156 266 HA ARG 39 HA ARG 39 9.304 7.732 12.820 267 HB2 ARG 39 2HB ARG 39 9.704 9.693 10.549 268 HB3 ARG 39 1HB ARG 39 9.315 10.133 12.204 269 HG2 ARG 39 2HG ARG 39 11.772 8.626 11.391 270 HG3 ARG 39 1HG ARG 39 11.701 10.375 11.631 271 HD2 ARG 39 2HD ARG 39 11.055 10.055 13.938 272 HD3 ARG 39 1HD ARG 39 11.018 8.303 13.713 273 HE ARG 39 HE ARG 39 13.466 8.852 12.973 274 HH11 ARG 39 1HH1 ARG 39 11.662 9.901 15.821 275 HH12 ARG 39 2HH1 ARG 39 13.026 10.000 16.838 276 HH21 ARG 39 1HH2 ARG 39 15.332 8.987 14.339 277 HH22 ARG 39 2HH2 ARG 39 15.186 9.465 15.971 278 H MET 40 H MET 40 7.282 7.208 13.228 279 HA MET 40 HA MET 40 5.194 8.456 11.632 280 HB2 MET 40 2HB MET 40 3.854 6.403 11.642 281 HB3 MET 40 1HB MET 40 5.381 6.150 10.807 282 HG2 MET 40 2HG MET 40 6.279 5.053 12.786 283 HG3 MET 40 1HG MET 40 4.754 5.319 13.625 284 HE1 MET 40 3HE MET 40 5.414 4.226 9.860 285 HE2 MET 40 1HE MET 40 5.278 2.479 9.998 286 HE3 MET 40 2HE MET 40 6.617 3.320 10.781 287 H GLY 41 H GLY 41 3.550 9.198 12.825 288 HA2 GLY 41 2HA GLY 41 3.356 8.344 15.628 289 HA3 GLY 41 1HA GLY 41 3.548 10.056 15.262 290 H ALA 42 H ALA 42 1.894 9.606 12.753 291 HA ALA 42 HA ALA 42 -0.711 9.037 13.850 292 HB1 ALA 42 1HB ALA 42 0.007 11.683 12.565 293 HB2 ALA 42 2HB ALA 42 -0.409 11.446 14.262 294 HB3 ALA 42 3HB ALA 42 -1.620 11.165 13.007 295 H GLY 43 H GLY 43 -2.331 9.212 11.960 296 HA2 GLY 43 2HA GLY 43 -2.732 9.108 9.646 297 HA3 GLY 43 1HA GLY 43 -1.041 8.692 9.395 298 H ILE 44 H ILE 44 -2.023 7.039 8.043 299 HA ILE 44 HA ILE 44 -3.450 4.901 9.307 300 HB ILE 44 HB ILE 44 -3.928 5.529 6.981 301 HG12 ILE 44 2HG1 ILE 44 -2.774 2.733 6.998 302 HG13 ILE 44 1HG1 ILE 44 -4.293 3.129 7.797 303 HG21 ILE 44 1HG2 ILE 44 -1.155 4.524 6.350 304 HG22 ILE 44 2HG2 ILE 44 -1.716 6.193 6.236 305 HG23 ILE 44 3HG2 ILE 44 -2.374 4.966 5.152 306 HD11 ILE 44 3HD1 ILE 44 -4.728 2.156 5.752 307 HD12 ILE 44 1HD1 ILE 44 -3.616 3.258 4.904 308 HD13 ILE 44 2HD1 ILE 44 -5.102 3.883 5.639 309 H ALA 45 H ALA 45 -0.227 5.717 9.103 310 HA ALA 45 HA ALA 45 0.946 3.142 8.829 311 HB1 ALA 45 1HB ALA 45 2.191 5.201 8.369 312 HB2 ALA 45 2HB ALA 45 3.006 4.144 9.523 313 HB3 ALA 45 3HB ALA 45 2.155 5.581 10.101 314 H VAL 46 H VAL 46 -0.107 5.015 11.613 315 HA VAL 46 HA VAL 46 1.100 3.502 13.646 316 HB VAL 46 HB VAL 46 -1.545 4.993 13.744 317 HG11 VAL 46 1HG1 VAL 46 0.274 4.126 15.995 318 HG12 VAL 46 2HG1 VAL 46 -1.314 3.451 15.627 319 HG13 VAL 46 3HG1 VAL 46 -1.170 5.126 16.167 320 HG21 VAL 46 3HG2 VAL 46 -0.226 6.830 14.683 321 HG22 VAL 46 1HG2 VAL 46 0.296 6.418 13.049 322 HG23 VAL 46 2HG2 VAL 46 1.243 5.889 14.441 323 H LEU 47 H LEU 47 -1.822 3.062 11.857 324 HA LEU 47 HA LEU 47 -3.036 0.988 13.313 325 HB2 LEU 47 2HB LEU 47 -3.097 1.630 10.375 326 HB3 LEU 47 1HB LEU 47 -4.202 0.540 11.187 327 HG LEU 47 HG LEU 47 -3.973 3.474 11.859 328 HD11 LEU 47 1HD1 LEU 47 -4.695 3.213 9.585 329 HD12 LEU 47 2HD1 LEU 47 -6.051 3.720 10.589 330 HD13 LEU 47 3HD1 LEU 47 -5.911 2.032 10.062 331 HD21 LEU 47 3HD2 LEU 47 -6.058 1.402 12.464 332 HD22 LEU 47 1HD2 LEU 47 -6.128 3.103 12.926 333 HD23 LEU 47 2HD2 LEU 47 -4.896 2.046 13.630 334 H PHE 48 H PHE 48 -0.669 1.017 10.701 335 HA PHE 48 HA PHE 48 -0.700 -1.831 10.465 336 HB2 PHE 48 2HB PHE 48 0.905 0.299 9.105 337 HB3 PHE 48 1HB PHE 48 1.251 -1.415 8.879 338 HD1 PHE 48 2HD PHE 48 -1.563 1.018 8.703 339 HD2 PHE 48 1HD PHE 48 0.156 -2.580 7.259 340 HE1 PHE 48 2HE PHE 48 -3.328 0.856 6.999 341 HE2 PHE 48 1HE PHE 48 -1.598 -2.741 5.562 342 HZ PHE 48 HZ PHE 48 -3.344 -1.012 5.436 343 H LYS 49 H LYS 49 1.334 0.485 12.079 344 HA LYS 49 HA LYS 49 3.372 -1.416 12.539 345 HB2 LYS 49 2HB LYS 49 4.406 0.173 14.016 346 HB3 LYS 49 1HB LYS 49 3.759 1.051 12.646 347 HG2 LYS 49 2HG LYS 49 3.303 2.436 14.455 348 HG3 LYS 49 1HG LYS 49 1.781 1.561 14.242 349 HD2 LYS 49 2HD LYS 49 2.410 0.011 15.993 350 HD3 LYS 49 1HD LYS 49 3.957 0.827 16.198 351 HE2 LYS 49 2HE LYS 49 2.741 2.877 16.829 352 HE3 LYS 49 1HE LYS 49 1.219 1.987 16.713 353 HZ1 LYS 49 3HZ LYS 49 1.932 2.022 19.001 354 HZ2 LYS 49 1HZ LYS 49 3.457 1.450 18.573 355 HZ3 LYS 49 2HZ LYS 49 2.125 0.451 18.425 356 H LYS 50 H LYS 50 0.465 -0.614 14.176 357 HA LYS 50 HA LYS 50 0.911 -2.266 16.452 358 HB2 LYS 50 2HB LYS 50 -1.618 -1.297 15.250 359 HB3 LYS 50 1HB LYS 50 -1.495 -2.138 16.793 360 HG2 LYS 50 2HG LYS 50 0.085 -0.316 17.505 361 HG3 LYS 50 1HG LYS 50 -0.414 0.545 16.046 362 HD2 LYS 50 2HD LYS 50 -2.171 -0.482 18.191 363 HD3 LYS 50 1HD LYS 50 -1.687 1.218 17.991 364 HE2 LYS 50 2HE LYS 50 -2.799 1.244 15.802 365 HE3 LYS 50 1HE LYS 50 -3.249 -0.442 16.033 366 HZ1 LYS 50 3HZ LYS 50 -4.168 1.795 17.772 367 HZ2 LYS 50 1HZ LYS 50 -4.618 0.192 17.916 368 HZ3 LYS 50 2HZ LYS 50 -5.102 1.064 16.563 369 H LYS 51 H LYS 51 -0.868 -2.723 13.414 370 HA LYS 51 HA LYS 51 -1.785 -5.325 13.979 371 HB2 LYS 51 2HB LYS 51 -1.588 -3.695 11.495 372 HB3 LYS 51 1HB LYS 51 -2.076 -5.376 11.390 373 HG2 LYS 51 2HG LYS 51 -3.430 -3.237 13.008 374 HG3 LYS 51 1HG LYS 51 -3.887 -3.686 11.360 375 HD2 LYS 51 2HD LYS 51 -4.101 -5.974 12.101 376 HD3 LYS 51 1HD LYS 51 -3.758 -5.393 13.740 377 HE2 LYS 51 2HE LYS 51 -6.117 -4.469 12.055 378 HE3 LYS 51 1HE LYS 51 -6.256 -5.735 13.265 379 HZ1 LYS 51 3HZ LYS 51 -6.969 -3.580 14.123 380 HZ2 LYS 51 1HZ LYS 51 -5.449 -2.918 13.822 381 HZ3 LYS 51 2HZ LYS 51 -5.628 -4.136 14.954 382 H PHE 52 H PHE 52 1.076 -4.219 12.166 383 HA PHE 52 HA PHE 52 1.704 -7.045 11.765 384 HB2 PHE 52 2HB PHE 52 2.757 -4.612 10.331 385 HB3 PHE 52 1HB PHE 52 3.293 -6.262 10.018 386 HD1 PHE 52 1HD PHE 52 0.532 -3.875 9.666 387 HD2 PHE 52 2HD PHE 52 1.864 -7.836 8.891 388 HE1 PHE 52 1HE PHE 52 -1.345 -4.200 8.120 389 HE2 PHE 52 2HE PHE 52 -0.019 -8.165 7.341 390 HZ PHE 52 HZ PHE 52 -1.624 -6.345 6.956 391 H GLY 53 H GLY 53 2.847 -4.249 13.452 392 HA2 GLY 53 2HA GLY 53 4.377 -4.130 15.151 393 HA3 GLY 53 1HA GLY 53 4.585 -5.862 15.015 394 H GLY 54 H GLY 54 5.391 -5.513 12.141 395 HA2 GLY 54 2HA GLY 54 8.179 -5.519 12.657 396 HA3 GLY 54 1HA GLY 54 7.410 -5.781 11.113 397 H VAL 55 H VAL 55 7.790 -3.071 13.352 398 HA VAL 55 HA VAL 55 8.129 -1.119 11.310 399 HB VAL 55 HB VAL 55 9.085 -0.995 14.192 400 HG11 VAL 55 1HG1 VAL 55 8.936 1.430 13.929 401 HG12 VAL 55 2HG1 VAL 55 8.474 1.208 12.238 402 HG13 VAL 55 3HG1 VAL 55 10.077 0.708 12.787 403 HG21 VAL 55 3HG2 VAL 55 6.971 0.156 14.675 404 HG22 VAL 55 1HG2 VAL 55 6.697 -1.492 14.107 405 HG23 VAL 55 2HG2 VAL 55 6.447 -0.128 13.017 406 H GLN 56 H GLN 56 10.329 -3.087 13.276 407 HA GLN 56 HA GLN 56 12.700 -2.009 12.156 408 HB2 GLN 56 2HB GLN 56 12.176 -4.473 13.803 409 HB3 GLN 56 1HB GLN 56 13.751 -3.944 13.269 410 HG2 GLN 56 2HG GLN 56 13.500 -3.290 15.525 411 HG3 GLN 56 1HG GLN 56 13.440 -1.841 14.540 412 HE21 GLN 56 1HE2 GLN 56 10.756 -4.105 15.011 413 HE22 GLN 56 2HE2 GLN 56 9.741 -3.013 15.875 414 H GLU 57 H GLU 57 10.583 -4.668 11.426 415 HA GLU 57 HA GLU 57 12.276 -5.991 9.621 416 HB2 GLU 57 2HB GLU 57 9.261 -5.712 9.424 417 HB3 GLU 57 1HB GLU 57 10.228 -6.896 8.560 418 HG2 GLU 57 2HG GLU 57 10.907 -7.853 10.746 419 HG3 GLU 57 1HG GLU 57 9.810 -6.702 11.519 420 H LEU 58 H LEU 58 10.353 -3.147 9.335 421 HA LEU 58 HA LEU 58 10.712 -2.720 6.533 422 HB2 LEU 58 2HB LEU 58 10.085 -0.770 8.740 423 HB3 LEU 58 1HB LEU 58 9.973 -0.426 7.026 424 HG LEU 58 HG LEU 58 8.303 -2.458 8.500 425 HD11 LEU 58 1HD1 LEU 58 7.755 -0.176 9.157 426 HD12 LEU 58 2HD1 LEU 58 6.478 -0.872 8.161 427 HD13 LEU 58 3HD1 LEU 58 7.611 0.281 7.462 428 HD21 LEU 58 3HD2 LEU 58 8.181 -1.437 5.668 429 HD22 LEU 58 1HD2 LEU 58 7.007 -2.504 6.432 430 HD23 LEU 58 2HD2 LEU 58 8.657 -3.060 6.175 431 H LEU 59 H LEU 59 12.275 -1.367 9.431 432 HA LEU 59 HA LEU 59 14.089 0.284 8.030 433 HB2 LEU 59 2HB LEU 59 14.175 -0.771 10.839 434 HB3 LEU 59 1HB LEU 59 15.402 0.296 10.193 435 HG LEU 59 HG LEU 59 12.471 0.984 10.425 436 HD11 LEU 59 1HD1 LEU 59 13.546 0.819 12.618 437 HD12 LEU 59 2HD1 LEU 59 13.217 2.508 12.184 438 HD13 LEU 59 3HD1 LEU 59 14.849 1.869 12.045 439 HD21 LEU 59 3HD2 LEU 59 14.875 2.617 9.630 440 HD22 LEU 59 1HD2 LEU 59 13.254 3.254 9.896 441 HD23 LEU 59 2HD2 LEU 59 13.557 2.133 8.572 442 H ASN 60 H ASN 60 14.398 -2.969 9.194 443 HA ASN 60 HA ASN 60 17.141 -3.241 8.642 444 HB2 ASN 60 2HB ASN 60 14.965 -5.317 8.942 445 HB3 ASN 60 1HB ASN 60 16.668 -5.726 8.749 446 HD21 ASN 60 1HD2 ASN 60 14.726 -6.056 11.044 447 HD22 ASN 60 2HD2 ASN 60 15.520 -5.340 12.397 448 H GLN 61 H GLN 61 14.465 -3.208 6.502 449 HA GLN 61 HA GLN 61 15.770 -4.581 4.328 450 HB2 GLN 61 2HB GLN 61 13.429 -2.666 4.285 451 HB3 GLN 61 1HB GLN 61 13.958 -3.653 2.933 452 HG2 GLN 61 2HG GLN 61 13.425 -5.659 4.170 453 HG3 GLN 61 1HG GLN 61 12.959 -4.687 5.562 454 HE21 GLN 61 1HE2 GLN 61 10.945 -5.414 5.601 455 HE22 GLN 61 2HE2 GLN 61 9.719 -5.074 4.424 456 H GLN 62 H GLN 62 15.691 -1.386 5.616 457 HA GLN 62 HA GLN 62 16.431 0.582 5.094 458 HB2 GLN 62 2HB GLN 62 18.559 -0.950 3.617 459 HB3 GLN 62 1HB GLN 62 18.574 0.779 3.966 460 HG2 GLN 62 2HG GLN 62 18.432 0.323 6.310 461 HG3 GLN 62 1HG GLN 62 18.498 -1.411 6.005 462 HE21 GLN 62 1HE2 GLN 62 20.321 0.235 7.543 463 HE22 GLN 62 2HE2 GLN 62 21.874 0.067 6.820 464 H LYS 63 H LYS 63 15.179 1.887 4.026 465 HA LYS 63 HA LYS 63 15.090 1.530 1.212 466 HB2 LYS 63 2HB LYS 63 12.721 2.265 1.369 467 HB3 LYS 63 1HB LYS 63 13.064 0.679 2.031 468 HG2 LYS 63 2HG LYS 63 12.907 3.133 3.773 469 HG3 LYS 63 1HG LYS 63 11.498 2.167 3.360 470 HD2 LYS 63 2HD LYS 63 12.544 0.231 4.306 471 HD3 LYS 63 1HD LYS 63 13.957 1.118 4.706 472 HE2 LYS 63 2HE LYS 63 12.499 0.930 6.711 473 HE3 LYS 63 1HE LYS 63 12.800 2.599 6.240 474 HZ1 LYS 63 3HZ LYS 63 10.630 2.694 5.263 475 HZ2 LYS 63 1HZ LYS 63 10.522 2.201 6.869 476 HZ3 LYS 63 2HZ LYS 63 10.329 1.064 5.620 477 H LYS 64 H LYS 64 15.354 3.537 0.137 478 HA LYS 64 HA LYS 64 15.437 5.995 1.732 479 HB2 LYS 64 2HB LYS 64 16.304 5.332 -1.080 480 HB3 LYS 64 1HB LYS 64 16.253 6.971 -0.464 481 HG2 LYS 64 2HG LYS 64 17.902 4.759 0.720 482 HG3 LYS 64 1HG LYS 64 18.488 5.935 -0.465 483 HD2 LYS 64 2HD LYS 64 17.894 7.747 1.105 484 HD3 LYS 64 1HD LYS 64 17.429 6.529 2.295 485 HE2 LYS 64 2HE LYS 64 19.676 5.652 2.320 486 HE3 LYS 64 1HE LYS 64 20.166 6.794 1.069 487 HZ1 LYS 64 3HZ LYS 64 19.725 8.607 2.622 488 HZ2 LYS 64 1HZ LYS 64 20.821 7.513 3.282 489 HZ3 LYS 64 2HZ LYS 64 19.221 7.503 3.791 490 H SER 65 H SER 65 14.382 7.872 0.811 491 HA SER 65 HA SER 65 11.759 7.365 -0.026 492 HB2 SER 65 2HB SER 65 11.812 9.927 -0.535 493 HB3 SER 65 1HB SER 65 11.993 9.389 1.133 494 HG SER 65 HG SER 65 14.131 9.713 1.037 495 H GLY 66 H GLY 66 11.122 6.560 -1.760 496 HA2 GLY 66 2HA GLY 66 10.900 6.902 -4.209 497 HA3 GLY 66 1HA GLY 66 12.661 6.974 -4.247 498 H GLU 67 H GLU 67 11.972 4.843 -1.882 499 HA GLU 67 HA GLU 67 11.920 2.534 -3.644 500 HB2 GLU 67 2HB GLU 67 13.333 2.831 -0.988 501 HB3 GLU 67 1HB GLU 67 13.271 1.365 -1.960 502 HG2 GLU 67 2HG GLU 67 14.430 2.602 -3.767 503 HG3 GLU 67 1HG GLU 67 14.609 3.958 -2.657 504 H VAL 68 H VAL 68 11.065 0.591 -2.475 505 HA VAL 68 HA VAL 68 8.922 1.450 -0.660 506 HB VAL 68 HB VAL 68 8.130 0.828 -2.970 507 HG11 VAL 68 1HG1 VAL 68 9.688 -0.953 -3.471 508 HG12 VAL 68 2HG1 VAL 68 8.025 -1.526 -3.620 509 HG13 VAL 68 3HG1 VAL 68 8.987 -1.949 -2.203 510 HG21 VAL 68 3HG2 VAL 68 6.282 -0.509 -2.270 511 HG22 VAL 68 1HG2 VAL 68 6.638 0.722 -1.061 512 HG23 VAL 68 2HG2 VAL 68 7.122 -0.960 -0.774 513 H ALA 69 H ALA 69 8.628 0.277 1.135 514 HA ALA 69 HA ALA 69 10.406 -2.019 1.581 515 HB1 ALA 69 1HB ALA 69 10.564 -0.240 3.271 516 HB2 ALA 69 2HB ALA 69 9.886 -1.699 3.986 517 HB3 ALA 69 3HB ALA 69 8.835 -0.345 3.573 518 H VAL 70 H VAL 70 9.492 -4.022 2.167 519 HA VAL 70 HA VAL 70 6.581 -4.145 1.663 520 HB VAL 70 HB VAL 70 8.601 -6.155 0.674 521 HG11 VAL 70 1HG1 VAL 70 5.661 -5.925 0.119 522 HG12 VAL 70 2HG1 VAL 70 6.456 -7.160 1.099 523 HG13 VAL 70 3HG1 VAL 70 6.763 -7.077 -0.637 524 HG21 VAL 70 3HG2 VAL 70 7.123 -4.062 -0.929 525 HG22 VAL 70 1HG2 VAL 70 8.148 -5.331 -1.603 526 HG23 VAL 70 2HG2 VAL 70 8.851 -4.074 -0.583 527 H LEU 71 H LEU 71 5.453 -5.405 2.973 528 HA LEU 71 HA LEU 71 6.889 -7.324 4.689 529 HB2 LEU 71 2HB LEU 71 4.395 -5.764 5.403 530 HB3 LEU 71 1HB LEU 71 5.011 -7.088 6.335 531 HG LEU 71 HG LEU 71 6.435 -4.458 5.902 532 HD11 LEU 71 1HD1 LEU 71 6.048 -4.135 8.294 533 HD12 LEU 71 2HD1 LEU 71 5.150 -5.650 8.355 534 HD13 LEU 71 3HD1 LEU 71 4.526 -4.301 7.414 535 HD21 LEU 71 3HD2 LEU 71 8.054 -6.288 6.086 536 HD22 LEU 71 1HD2 LEU 71 7.252 -6.867 7.543 537 HD23 LEU 71 2HD2 LEU 71 8.068 -5.316 7.557 538 H LYS 72 H LYS 72 6.365 -9.347 4.407 539 HA LYS 72 HA LYS 72 3.914 -9.918 2.942 540 HB2 LYS 72 2HB LYS 72 5.969 -10.859 2.047 541 HB3 LYS 72 1HB LYS 72 6.254 -11.707 3.576 542 HG2 LYS 72 2HG LYS 72 4.205 -12.991 3.225 543 HG3 LYS 72 1HG LYS 72 3.933 -12.141 1.705 544 HD2 LYS 72 2HD LYS 72 6.089 -13.040 0.871 545 HD3 LYS 72 1HD LYS 72 6.245 -13.958 2.370 546 HE2 LYS 72 2HE LYS 72 4.165 -15.134 1.874 547 HE3 LYS 72 1HE LYS 72 3.983 -14.191 0.397 548 HZ1 LYS 72 3HZ LYS 72 6.047 -15.169 -0.417 549 HZ2 LYS 72 1HZ LYS 72 4.895 -16.348 -0.082 550 HZ3 LYS 72 2HZ LYS 72 6.174 -16.098 0.988 551 H ARG 73 H ARG 73 2.344 -10.699 3.934 552 HA ARG 73 HA ARG 73 2.660 -11.541 6.763 553 HB2 ARG 73 2HB ARG 73 1.178 -9.592 6.359 554 HB3 ARG 73 1HB ARG 73 0.177 -10.603 5.327 555 HG2 ARG 73 2HG ARG 73 -0.921 -10.428 7.447 556 HG3 ARG 73 1HG ARG 73 -0.279 -12.061 7.314 557 HD2 ARG 73 2HD ARG 73 0.965 -9.775 8.859 558 HD3 ARG 73 1HD ARG 73 0.064 -11.118 9.548 559 HE ARG 73 HE ARG 73 1.923 -12.525 8.526 560 HH11 ARG 73 1HH1 ARG 73 2.385 -9.293 9.898 561 HH12 ARG 73 2HH1 ARG 73 4.050 -9.477 10.189 562 HH21 ARG 73 1HH2 ARG 73 4.230 -12.814 8.960 563 HH22 ARG 73 2HH2 ARG 73 5.105 -11.541 9.672 564 H ASP 74 H ASP 74 1.110 -12.197 3.741 565 HA ASP 74 HA ASP 74 0.878 -15.011 4.197 566 HB2 ASP 74 2HB ASP 74 -1.123 -13.923 5.363 567 HB3 ASP 74 1HB ASP 74 -1.572 -13.226 3.818 568 H GLY 75 H GLY 75 -1.233 -14.818 1.941 569 HA2 GLY 75 2HA GLY 75 0.599 -14.685 -0.220 570 HA3 GLY 75 1HA GLY 75 -1.145 -14.840 -0.339 571 H ARG 76 H ARG 76 -0.584 -12.078 1.496 572 HA ARG 76 HA ARG 76 -0.642 -10.427 -0.909 573 HB2 ARG 76 2HB ARG 76 -2.044 -8.865 0.271 574 HB3 ARG 76 1HB ARG 76 -2.787 -10.454 0.361 575 HG2 ARG 76 2HG ARG 76 -1.915 -10.710 2.648 576 HG3 ARG 76 1HG ARG 76 -1.218 -9.094 2.541 577 HD2 ARG 76 2HD ARG 76 -3.272 -8.935 3.703 578 HD3 ARG 76 1HD ARG 76 -3.494 -8.214 2.103 579 HE ARG 76 HE ARG 76 -4.268 -10.991 2.585 580 HH11 ARG 76 1HH1 ARG 76 -5.238 -7.719 1.593 581 HH12 ARG 76 2HH1 ARG 76 -6.868 -8.133 1.351 582 HH21 ARG 76 1HH2 ARG 76 -6.512 -11.503 2.334 583 HH22 ARG 76 2HH2 ARG 76 -7.633 -10.319 1.832 584 H TYR 77 H TYR 77 0.483 -8.472 -0.782 585 HA TYR 77 HA TYR 77 2.561 -8.449 1.276 586 HB2 TYR 77 2HB TYR 77 2.655 -7.513 -1.591 587 HB3 TYR 77 1HB TYR 77 3.933 -7.222 -0.416 588 HD1 TYR 77 1HD TYR 77 5.319 -9.017 0.369 589 HD2 TYR 77 2HD TYR 77 2.293 -9.750 -2.518 590 HE1 TYR 77 1HE TYR 77 6.331 -11.181 -0.125 591 HE2 TYR 77 2HE TYR 77 3.309 -11.944 -3.024 592 HH TYR 77 HH TYR 77 5.560 -13.009 -2.823 593 H ILE 78 H ILE 78 3.037 -6.594 2.320 594 HA ILE 78 HA ILE 78 1.113 -4.406 1.994 595 HB ILE 78 HB ILE 78 3.120 -4.729 4.234 596 HG12 ILE 78 2HG1 ILE 78 1.773 -6.789 4.215 597 HG13 ILE 78 1HG1 ILE 78 1.363 -5.789 5.599 598 HG21 ILE 78 1HG2 ILE 78 0.476 -3.294 4.024 599 HG22 ILE 78 2HG2 ILE 78 2.077 -2.551 3.981 600 HG23 ILE 78 3HG2 ILE 78 1.508 -3.331 5.461 601 HD11 ILE 78 3HD1 ILE 78 -0.627 -5.019 4.446 602 HD12 ILE 78 1HD1 ILE 78 -0.585 -6.781 4.616 603 HD13 ILE 78 2HD1 ILE 78 -0.197 -6.033 3.056 604 H TYR 79 H TYR 79 1.844 -2.641 1.014 605 HA TYR 79 HA TYR 79 4.721 -2.362 0.639 606 HB2 TYR 79 2HB TYR 79 2.442 -1.249 -0.963 607 HB3 TYR 79 1HB TYR 79 4.137 -0.864 -1.244 608 HD1 TYR 79 2HD TYR 79 5.653 -2.521 -2.084 609 HD2 TYR 79 1HD TYR 79 1.543 -3.400 -1.538 610 HE1 TYR 79 2HE TYR 79 5.915 -4.513 -3.447 611 HE2 TYR 79 1HE TYR 79 1.776 -5.407 -2.903 612 HH TYR 79 HH TYR 79 3.286 -6.289 -4.620 613 H TYR 80 H TYR 80 5.766 -0.865 1.477 614 HA TYR 80 HA TYR 80 4.378 1.431 2.609 615 HB2 TYR 80 2HB TYR 80 6.919 0.040 3.396 616 HB3 TYR 80 1HB TYR 80 6.430 1.578 4.087 617 HD1 TYR 80 2HD TYR 80 5.624 -2.014 3.845 618 HD2 TYR 80 1HD TYR 80 4.736 1.665 5.769 619 HE1 TYR 80 2HE TYR 80 4.316 -3.219 5.532 620 HE2 TYR 80 1HE TYR 80 3.425 0.472 7.468 621 HH TYR 80 HH TYR 80 3.532 -2.886 7.839 622 H LEU 81 H LEU 81 4.429 2.762 0.954 623 HA LEU 81 HA LEU 81 6.648 3.186 -0.816 624 HB2 LEU 81 2HB LEU 81 4.218 4.896 -0.277 625 HB3 LEU 81 1HB LEU 81 5.297 5.047 -1.642 626 HG LEU 81 HG LEU 81 3.447 2.729 -1.083 627 HD11 LEU 81 1HD1 LEU 81 2.258 4.703 -1.798 628 HD12 LEU 81 2HD1 LEU 81 2.272 3.494 -3.081 629 HD13 LEU 81 3HD1 LEU 81 3.348 4.886 -3.177 630 HD21 LEU 81 3HD2 LEU 81 5.320 3.192 -3.426 631 HD22 LEU 81 1HD2 LEU 81 4.125 1.901 -3.299 632 HD23 LEU 81 2HD2 LEU 81 5.483 1.960 -2.189 633 H ILE 82 H ILE 82 8.369 4.350 -0.361 634 HA ILE 82 HA ILE 82 8.335 5.938 2.069 635 HB ILE 82 HB ILE 82 10.644 5.183 0.290 636 HG12 ILE 82 2HG1 ILE 82 9.456 3.221 1.312 637 HG13 ILE 82 1HG1 ILE 82 11.129 3.418 1.804 638 HG21 ILE 82 1HG2 ILE 82 11.985 5.812 2.133 639 HG22 ILE 82 2HG2 ILE 82 10.567 6.163 3.136 640 HG23 ILE 82 3HG2 ILE 82 10.949 7.173 1.731 641 HD11 ILE 82 3HD1 ILE 82 10.507 4.179 3.933 642 HD12 ILE 82 1HD1 ILE 82 9.615 2.738 3.604 643 HD13 ILE 82 2HD1 ILE 82 8.765 4.286 3.488 644 H THR 83 H THR 83 7.609 7.940 1.648 645 HA THR 83 HA THR 83 8.938 9.398 -0.531 646 HB THR 83 HB THR 83 6.912 10.903 -0.507 647 HG1 THR 83 1HG THR 83 5.074 9.355 0.365 648 HG21 THR 83 3HG2 THR 83 7.223 9.188 -2.235 649 HG22 THR 83 1HG2 THR 83 5.518 9.363 -1.824 650 HG23 THR 83 2HG2 THR 83 6.443 7.995 -1.200 651 H LYS 84 H LYS 84 8.542 9.173 2.823 652 HA LYS 84 HA LYS 84 9.232 11.973 3.281 653 HB2 LYS 84 2HB LYS 84 8.095 9.864 5.126 654 HB3 LYS 84 1HB LYS 84 8.439 11.526 5.565 655 HG2 LYS 84 2HG LYS 84 6.654 12.300 4.141 656 HG3 LYS 84 1HG LYS 84 6.402 10.666 3.513 657 HD2 LYS 84 2HD LYS 84 5.781 9.885 5.752 658 HD3 LYS 84 1HD LYS 84 6.063 11.499 6.404 659 HE2 LYS 84 2HE LYS 84 4.015 10.849 4.278 660 HE3 LYS 84 1HE LYS 84 3.654 10.930 5.998 661 HZ1 LYS 84 3HZ LYS 84 4.753 13.204 4.416 662 HZ2 LYS 84 1HZ LYS 84 4.262 13.229 6.011 663 HZ3 LYS 84 2HZ LYS 84 3.127 13.012 4.804 664 H LYS 85 H LYS 85 11.264 12.287 4.140 665 HA LYS 85 HA LYS 85 12.894 9.993 5.043 666 HB2 LYS 85 2HB LYS 85 13.517 12.962 5.165 667 HB3 LYS 85 1HB LYS 85 14.653 11.661 5.481 668 HG2 LYS 85 2HG LYS 85 14.405 10.976 3.094 669 HG3 LYS 85 1HG LYS 85 13.388 12.410 2.879 670 HD2 LYS 85 2HD LYS 85 15.215 13.851 3.555 671 HD3 LYS 85 1HD LYS 85 16.236 12.440 3.834 672 HE2 LYS 85 2HE LYS 85 16.042 11.848 1.463 673 HE3 LYS 85 1HE LYS 85 15.054 13.286 1.207 674 HZ1 LYS 85 3HZ LYS 85 16.939 14.664 1.826 675 HZ2 LYS 85 1HZ LYS 85 17.345 13.615 0.566 676 HZ3 LYS 85 2HZ LYS 85 17.874 13.291 2.127 677 H ARG 86 H ARG 86 11.654 12.970 6.260 678 HA ARG 86 HA ARG 86 11.722 12.012 9.015 679 HB2 ARG 86 2HB ARG 86 11.578 14.784 7.792 680 HB3 ARG 86 1HB ARG 86 11.227 14.503 9.481 681 HG2 ARG 86 2HG ARG 86 13.518 15.402 8.835 682 HG3 ARG 86 1HG ARG 86 13.529 14.040 9.977 683 HD2 ARG 86 2HD ARG 86 14.096 12.591 8.084 684 HD3 ARG 86 1HD ARG 86 13.977 13.960 6.998 685 HE ARG 86 HE ARG 86 15.850 14.930 8.293 686 HH11 ARG 86 1HH1 ARG 86 15.425 11.400 8.316 687 HH12 ARG 86 2HH1 ARG 86 17.074 11.055 8.465 688 HH21 ARG 86 1HH2 ARG 86 18.145 14.439 8.500 689 HH22 ARG 86 2HH2 ARG 86 18.659 12.820 8.589 690 H ALA 87 H ALA 87 9.672 12.468 10.253 691 HA ALA 87 HA ALA 87 7.434 11.512 8.894 692 HB1 ALA 87 1HB ALA 87 7.774 11.265 11.308 693 HB2 ALA 87 2HB ALA 87 6.192 11.943 10.927 694 HB3 ALA 87 3HB ALA 87 7.479 12.992 11.518 695 H SER 88 H SER 88 8.412 14.824 9.486 696 HA SER 88 HA SER 88 5.838 15.836 8.656 697 HB2 SER 88 2HB SER 88 7.135 16.908 10.504 698 HB3 SER 88 1HB SER 88 8.369 17.369 9.336 699 HG SER 88 HG SER 88 7.166 18.984 8.737 700 H HIS 89 H HIS 89 8.027 14.432 6.788 701 HA HIS 89 HA HIS 89 8.321 16.543 4.856 702 HB2 HIS 89 2HB HIS 89 9.277 13.687 4.795 703 HB3 HIS 89 1HB HIS 89 9.362 14.729 3.406 704 HD1 HIS 89 1HD HIS 89 12.064 14.411 3.689 705 HD2 HIS 89 2HD HIS 89 10.094 16.695 6.532 706 HE1 HIS 89 1HE HIS 89 13.871 15.535 5.020 707 HE2 HIS 89 2HE HIS 89 12.606 17.226 6.395 708 H LYS 90 H LYS 90 7.592 16.540 2.855 709 HA LYS 90 HA LYS 90 5.007 15.180 2.569 710 HB2 LYS 90 2HB LYS 90 4.423 17.026 1.008 711 HB3 LYS 90 1HB LYS 90 4.766 17.580 2.640 712 HG2 LYS 90 2HG LYS 90 6.985 18.285 1.955 713 HG3 LYS 90 1HG LYS 90 6.681 17.663 0.333 714 HD2 LYS 90 2HD LYS 90 4.899 19.268 0.026 715 HD3 LYS 90 1HD LYS 90 5.123 19.846 1.679 716 HE2 LYS 90 2HE LYS 90 6.187 21.303 0.010 717 HE3 LYS 90 1HE LYS 90 7.351 20.628 1.153 718 HZ1 LYS 90 3HZ LYS 90 8.136 20.574 -1.162 719 HZ2 LYS 90 1HZ LYS 90 6.842 19.608 -1.599 720 HZ3 LYS 90 2HZ LYS 90 8.022 19.027 -0.550 721 HA PRO 91 HA PRO 91 6.468 12.909 -0.944 722 HB2 PRO 91 2HB PRO 91 4.175 12.680 -2.357 723 HB3 PRO 91 1HB PRO 91 4.439 11.793 -0.846 724 HG2 PRO 91 2HG PRO 91 3.078 14.432 -1.252 725 HG3 PRO 91 1HG PRO 91 2.412 13.013 -0.425 726 HD2 PRO 91 2HD PRO 91 3.474 14.981 0.965 727 HD3 PRO 91 1HD PRO 91 3.903 13.306 1.391 728 H THR 92 H THR 92 7.340 13.375 -2.904 729 HA THR 92 HA THR 92 6.501 15.801 -4.273 730 HB THR 92 HB THR 92 8.828 15.342 -5.423 731 HG1 THR 92 1HG THR 92 9.520 14.065 -3.134 732 HG21 THR 92 3HG2 THR 92 10.042 16.486 -3.661 733 HG22 THR 92 1HG2 THR 92 8.767 16.102 -2.501 734 HG23 THR 92 2HG2 THR 92 8.446 17.214 -3.834 735 H TYR 93 H TYR 93 6.379 15.579 -6.625 736 HA TYR 93 HA TYR 93 4.913 13.345 -7.403 737 HB2 TYR 93 2HB TYR 93 6.358 15.340 -9.146 738 HB3 TYR 93 1HB TYR 93 5.217 14.146 -9.747 739 HD1 TYR 93 2HD TYR 93 2.877 14.198 -8.436 740 HD2 TYR 93 1HD TYR 93 5.556 17.474 -8.797 741 HE1 TYR 93 2HE TYR 93 1.014 15.755 -8.058 742 HE2 TYR 93 1HE TYR 93 3.694 19.037 -8.421 743 HH TYR 93 HH TYR 93 1.288 19.082 -8.632 744 H GLU 94 H GLU 94 8.299 14.035 -7.754 745 HA GLU 94 HA GLU 94 8.818 11.833 -9.499 746 HB2 GLU 94 2HB GLU 94 10.668 13.538 -7.865 747 HB3 GLU 94 1HB GLU 94 11.168 12.387 -9.097 748 HG2 GLU 94 2HG GLU 94 10.038 13.636 -10.791 749 HG3 GLU 94 1HG GLU 94 9.384 14.754 -9.598 750 H ASN 95 H ASN 95 9.359 12.453 -6.068 751 HA ASN 95 HA ASN 95 10.566 9.948 -5.600 752 HB2 ASN 95 2HB ASN 95 9.498 12.123 -3.902 753 HB3 ASN 95 1HB ASN 95 10.051 10.611 -3.115 754 HD21 ASN 95 1HD2 ASN 95 11.710 11.747 -2.079 755 HD22 ASN 95 2HD2 ASN 95 13.073 12.367 -2.939 756 H LEU 96 H LEU 96 7.243 11.043 -5.545 757 HA LEU 96 HA LEU 96 6.267 8.727 -4.269 758 HB2 LEU 96 2HB LEU 96 4.983 10.815 -4.371 759 HB3 LEU 96 1HB LEU 96 4.877 10.668 -6.111 760 HG LEU 96 HG LEU 96 3.479 8.639 -5.854 761 HD11 LEU 96 1HD1 LEU 96 4.342 7.847 -3.711 762 HD12 LEU 96 2HD1 LEU 96 2.591 8.040 -3.663 763 HD13 LEU 96 3HD1 LEU 96 3.629 9.245 -2.901 764 HD21 LEU 96 3HD2 LEU 96 2.426 10.820 -6.066 765 HD22 LEU 96 1HD2 LEU 96 2.525 11.050 -4.323 766 HD23 LEU 96 2HD2 LEU 96 1.488 9.783 -4.987 767 H GLN 97 H GLN 97 6.556 9.658 -7.753 768 HA GLN 97 HA GLN 97 5.348 7.349 -8.675 769 HB2 GLN 97 2HB GLN 97 6.142 7.943 -10.848 770 HB3 GLN 97 1HB GLN 97 5.741 9.420 -10.006 771 HG2 GLN 97 2HG GLN 97 8.206 9.645 -9.492 772 HG3 GLN 97 1HG GLN 97 8.403 8.277 -10.602 773 HE21 GLN 97 1HE2 GLN 97 8.125 8.576 -12.779 774 HE22 GLN 97 2HE2 GLN 97 7.978 10.129 -13.516 775 H LYS 98 H LYS 98 8.611 7.946 -7.634 776 HA LYS 98 HA LYS 98 9.791 5.597 -8.686 777 HB2 LYS 98 2HB LYS 98 10.568 7.194 -6.255 778 HB3 LYS 98 1HB LYS 98 11.551 5.921 -6.959 779 HG2 LYS 98 2HG LYS 98 11.726 7.250 -9.022 780 HG3 LYS 98 1HG LYS 98 10.777 8.523 -8.251 781 HD2 LYS 98 2HD LYS 98 12.473 8.686 -6.481 782 HD3 LYS 98 1HD LYS 98 13.435 7.463 -7.310 783 HE2 LYS 98 2HE LYS 98 13.601 8.944 -9.263 784 HE3 LYS 98 1HE LYS 98 12.652 10.159 -8.404 785 HZ1 LYS 98 3HZ LYS 98 14.979 10.684 -8.205 786 HZ2 LYS 98 1HZ LYS 98 15.329 9.139 -7.627 787 HZ3 LYS 98 2HZ LYS 98 14.424 10.184 -6.693 788 H SER 99 H SER 99 8.211 6.263 -5.559 789 HA SER 99 HA SER 99 8.647 3.634 -4.534 790 HB2 SER 99 2HB SER 99 6.939 4.211 -2.845 791 HB3 SER 99 1HB SER 99 8.125 5.486 -3.019 792 HG SER 99 HG SER 99 6.251 6.206 -4.671 793 H LEU 100 H LEU 100 6.075 5.000 -6.523 794 HA LEU 100 HA LEU 100 4.467 2.672 -6.702 795 HB2 LEU 100 2HB LEU 100 4.967 5.060 -8.486 796 HB3 LEU 100 1HB LEU 100 3.929 3.760 -8.998 797 HG LEU 100 HG LEU 100 2.845 5.857 -8.101 798 HD11 LEU 100 1HD1 LEU 100 1.077 4.589 -6.911 799 HD12 LEU 100 2HD1 LEU 100 2.172 3.208 -6.823 800 HD13 LEU 100 3HD1 LEU 100 1.614 3.794 -8.388 801 HD21 LEU 100 3HD2 LEU 100 2.529 6.020 -5.675 802 HD22 LEU 100 1HD2 LEU 100 4.218 6.231 -6.138 803 HD23 LEU 100 2HD2 LEU 100 3.681 4.701 -5.449 804 H GLU 101 H GLU 101 7.249 3.760 -8.660 805 HA GLU 101 HA GLU 101 7.393 1.680 -10.530 806 HB2 GLU 101 2HB GLU 101 9.582 3.190 -9.111 807 HB3 GLU 101 1HB GLU 101 9.891 2.072 -10.419 808 HG2 GLU 101 2HG GLU 101 8.108 4.443 -10.695 809 HG3 GLU 101 1HG GLU 101 9.853 4.527 -10.940 810 H ALA 102 H ALA 102 9.011 1.943 -7.435 811 HA ALA 102 HA ALA 102 10.210 -0.595 -7.408 812 HB1 ALA 102 1HB ALA 102 10.803 1.303 -5.906 813 HB2 ALA 102 2HB ALA 102 10.608 -0.232 -5.058 814 HB3 ALA 102 3HB ALA 102 9.330 0.983 -4.995 815 H MET 103 H MET 103 7.133 0.504 -6.103 816 HA MET 103 HA MET 103 6.346 -1.893 -4.953 817 HB2 MET 103 2HB MET 103 5.325 0.132 -4.265 818 HB3 MET 103 1HB MET 103 4.839 0.523 -5.905 819 HG2 MET 103 2HG MET 103 3.285 -1.039 -5.969 820 HG3 MET 103 1HG MET 103 3.795 -1.891 -4.468 821 HE1 MET 103 3HE MET 103 3.175 1.916 -5.389 822 HE2 MET 103 1HE MET 103 1.506 2.099 -4.862 823 HE3 MET 103 2HE MET 103 1.895 1.006 -6.196 824 H LYS 104 H LYS 104 5.624 -0.542 -8.195 825 HA LYS 104 HA LYS 104 3.949 -2.664 -8.903 826 HB2 LYS 104 2HB LYS 104 3.945 -1.704 -11.126 827 HB3 LYS 104 1HB LYS 104 3.870 -0.431 -9.933 828 HG2 LYS 104 2HG LYS 104 5.199 0.371 -11.563 829 HG3 LYS 104 1HG LYS 104 6.343 -0.129 -10.318 830 HD2 LYS 104 2HD LYS 104 6.745 -2.197 -11.611 831 HD3 LYS 104 1HD LYS 104 5.609 -1.585 -12.830 832 HE2 LYS 104 2HE LYS 104 7.027 0.325 -13.228 833 HE3 LYS 104 1HE LYS 104 8.152 -0.209 -11.981 834 HZ1 LYS 104 3HZ LYS 104 8.962 -0.767 -14.158 835 HZ2 LYS 104 1HZ LYS 104 7.556 -1.588 -14.541 836 HZ3 LYS 104 2HZ LYS 104 8.584 -2.207 -13.363 837 H SER 105 H SER 105 7.405 -2.177 -9.269 838 HA SER 105 HA SER 105 7.823 -4.292 -11.057 839 HB2 SER 105 2HB SER 105 9.461 -2.460 -10.583 840 HB3 SER 105 1HB SER 105 9.772 -3.196 -9.015 841 HG SER 105 HG SER 105 10.905 -3.725 -11.286 842 H HIS 106 H HIS 106 7.839 -4.126 -7.543 843 HA HIS 106 HA HIS 106 8.561 -6.842 -7.084 844 HB2 HIS 106 2HB HIS 106 8.753 -5.151 -5.324 845 HB3 HIS 106 1HB HIS 106 6.998 -4.947 -5.332 846 HD1 HIS 106 1HD HIS 106 5.840 -6.288 -3.589 847 HD2 HIS 106 2HD HIS 106 9.272 -8.057 -4.979 848 HE1 HIS 106 1HE HIS 106 6.040 -8.292 -2.234 849 HE2 HIS 106 2HE HIS 106 8.347 -9.241 -2.835 850 H CYS 107 H CYS 107 5.466 -5.293 -7.662 851 HA CYS 107 HA CYS 107 3.915 -7.459 -6.855 852 HB2 CYS 107 2HB CYS 107 3.354 -5.300 -8.869 853 HB3 CYS 107 1HB CYS 107 2.131 -6.416 -8.275 854 HG CYS 107 HG CYS 107 3.707 -3.894 -6.671 855 H LEU 108 H LEU 108 5.343 -6.660 -10.021 856 HA LEU 108 HA LEU 108 4.276 -8.804 -11.407 857 HB2 LEU 108 2HB LEU 108 6.670 -7.084 -11.774 858 HB3 LEU 108 1HB LEU 108 6.455 -8.490 -12.796 859 HG LEU 108 HG LEU 108 5.699 -6.452 -13.839 860 HD11 LEU 108 1HD1 LEU 108 3.478 -7.305 -14.521 861 HD12 LEU 108 2HD1 LEU 108 3.509 -8.336 -13.076 862 HD13 LEU 108 3HD1 LEU 108 4.684 -8.604 -14.357 863 HD21 LEU 108 3HD2 LEU 108 3.644 -5.339 -13.073 864 HD22 LEU 108 1HD2 LEU 108 4.961 -5.202 -11.900 865 HD23 LEU 108 2HD2 LEU 108 3.662 -6.362 -11.636 866 H LYS 109 H LYS 109 6.997 -8.683 -9.262 867 HA LYS 109 HA LYS 109 8.224 -11.111 -10.108 868 HB2 LYS 109 2HB LYS 109 8.277 -9.799 -7.396 869 HB3 LYS 109 1HB LYS 109 9.391 -11.026 -7.984 870 HG2 LYS 109 2HG LYS 109 10.104 -9.537 -9.723 871 HG3 LYS 109 1HG LYS 109 9.028 -8.287 -9.141 872 HD2 LYS 109 2HD LYS 109 11.281 -7.836 -8.269 873 HD3 LYS 109 1HD LYS 109 10.180 -8.253 -6.961 874 HE2 LYS 109 2HE LYS 109 11.073 -10.560 -6.979 875 HE3 LYS 109 1HE LYS 109 12.181 -10.091 -8.261 876 HZ1 LYS 109 3HZ LYS 109 13.236 -10.057 -6.085 877 HZ2 LYS 109 1HZ LYS 109 12.140 -8.911 -5.527 878 HZ3 LYS 109 2HZ LYS 109 13.219 -8.517 -6.750 879 H ASN 110 H ASN 110 5.604 -10.340 -8.230 880 HA ASN 110 HA ASN 110 5.381 -13.111 -7.199 881 HB2 ASN 110 2HB ASN 110 4.422 -10.579 -5.885 882 HB3 ASN 110 1HB ASN 110 4.091 -12.202 -5.280 883 HD21 ASN 110 1HD2 ASN 110 6.566 -9.827 -5.883 884 HD22 ASN 110 2HD2 ASN 110 7.784 -10.520 -4.873 885 H GLY 111 H GLY 111 4.093 -11.337 -9.524 886 HA2 GLY 111 2HA GLY 111 2.191 -11.575 -10.804 887 HA3 GLY 111 1HA GLY 111 1.829 -13.009 -9.861 888 H VAL 112 H VAL 112 2.156 -9.774 -8.559 889 HA VAL 112 HA VAL 112 -0.538 -9.963 -7.489 890 HB VAL 112 HB VAL 112 1.632 -7.886 -7.026 891 HG11 VAL 112 1HG1 VAL 112 -0.604 -6.916 -6.720 892 HG12 VAL 112 2HG1 VAL 112 0.250 -7.066 -5.183 893 HG13 VAL 112 3HG1 VAL 112 -1.007 -8.221 -5.603 894 HG21 VAL 112 3HG2 VAL 112 1.833 -8.920 -4.812 895 HG22 VAL 112 1HG2 VAL 112 2.178 -10.072 -6.110 896 HG23 VAL 112 2HG2 VAL 112 0.622 -10.116 -5.281 897 H THR 113 H THR 113 -2.214 -9.024 -8.438 898 HA THR 113 HA THR 113 -1.771 -6.789 -10.366 899 HB THR 113 HB THR 113 -3.612 -7.723 -11.710 900 HG1 THR 113 1HG THR 113 -4.536 -9.014 -9.893 901 HG21 THR 113 3HG2 THR 113 -1.296 -8.285 -12.333 902 HG22 THR 113 1HG2 THR 113 -2.387 -9.623 -12.702 903 HG23 THR 113 2HG2 THR 113 -1.352 -9.693 -11.274 904 H ASP 114 H ASP 114 -3.179 -7.675 -7.516 905 HA ASP 114 HA ASP 114 -5.217 -5.600 -7.879 906 HB2 ASP 114 2HB ASP 114 -5.450 -8.144 -6.224 907 HB3 ASP 114 1HB ASP 114 -6.643 -6.853 -6.264 908 H LEU 115 H LEU 115 -4.874 -3.957 -6.566 909 HA LEU 115 HA LEU 115 -3.346 -4.372 -4.090 910 HB2 LEU 115 2HB LEU 115 -1.885 -3.786 -6.027 911 HB3 LEU 115 1HB LEU 115 -2.762 -2.280 -6.162 912 HG LEU 115 HG LEU 115 -2.084 -1.897 -3.758 913 HD11 LEU 115 1HD1 LEU 115 -1.399 -4.010 -3.119 914 HD12 LEU 115 2HD1 LEU 115 0.006 -2.947 -3.078 915 HD13 LEU 115 3HD1 LEU 115 -0.183 -4.083 -4.415 916 HD21 LEU 115 3HD2 LEU 115 -0.012 -1.904 -5.948 917 HD22 LEU 115 1HD2 LEU 115 0.109 -0.979 -4.450 918 HD23 LEU 115 2HD2 LEU 115 -1.166 -0.611 -5.619 919 H SER 116 H SER 116 -3.913 -2.750 -2.373 920 HA SER 116 HA SER 116 -5.861 -0.811 -3.267 921 HB2 SER 116 2HB SER 116 -7.076 -1.252 -1.107 922 HB3 SER 116 1HB SER 116 -7.132 -2.592 -2.251 923 HG SER 116 HG SER 116 -5.267 -3.438 -1.016 924 H MET 117 H MET 117 -5.703 1.170 -2.318 925 HA MET 117 HA MET 117 -3.891 1.520 -0.088 926 HB2 MET 117 2HB MET 117 -2.619 3.320 -1.107 927 HB3 MET 117 1HB MET 117 -2.552 1.972 -2.217 928 HG2 MET 117 2HG MET 117 -4.242 3.116 -3.661 929 HG3 MET 117 1HG MET 117 -4.294 4.425 -2.488 930 HE1 MET 117 3HE MET 117 -0.588 3.380 -5.016 931 HE2 MET 117 1HE MET 117 -2.085 2.445 -5.065 932 HE3 MET 117 2HE MET 117 -1.074 2.425 -3.620 933 HA PRO 118 HA PRO 118 -7.215 4.271 0.765 934 HB2 PRO 118 2HB PRO 118 -6.258 5.840 2.656 935 HB3 PRO 118 1HB PRO 118 -6.311 4.093 2.927 936 HG2 PRO 118 2HG PRO 118 -3.983 5.834 2.255 937 HG3 PRO 118 1HG PRO 118 -4.045 4.412 3.306 938 HD2 PRO 118 2HD PRO 118 -3.196 4.495 0.642 939 HD3 PRO 118 1HD PRO 118 -3.536 3.023 1.553 940 H ARG 119 H ARG 119 -7.675 6.704 1.037 941 HA ARG 119 HA ARG 119 -6.475 8.125 -1.093 942 HB2 ARG 119 2HB ARG 119 -7.641 10.175 -0.200 943 HB3 ARG 119 1HB ARG 119 -8.709 8.829 -0.534 944 HG2 ARG 119 2HG ARG 119 -8.831 8.336 1.852 945 HG3 ARG 119 1HG ARG 119 -7.716 9.662 2.185 946 HD2 ARG 119 2HD ARG 119 -9.270 11.278 1.382 947 HD3 ARG 119 1HD ARG 119 -10.336 10.032 0.747 948 HE ARG 119 HE ARG 119 -9.966 9.802 3.588 949 HH11 ARG 119 1HH1 ARG 119 -11.730 11.655 1.129 950 HH12 ARG 119 2HH1 ARG 119 -13.088 11.903 2.100 951 HH21 ARG 119 1HH2 ARG 119 -11.838 10.091 4.889 952 HH22 ARG 119 2HH2 ARG 119 -13.169 10.993 4.287 953 H ILE 120 H ILE 120 -4.481 8.266 -0.998 954 HA ILE 120 HA ILE 120 -2.999 8.795 1.327 955 HB ILE 120 HB ILE 120 -1.032 8.959 -0.334 956 HG12 ILE 120 2HG1 ILE 120 -3.308 8.248 -2.217 957 HG13 ILE 120 1HG1 ILE 120 -2.145 9.561 -2.365 958 HG21 ILE 120 1HG2 ILE 120 -1.516 6.961 0.960 959 HG22 ILE 120 2HG2 ILE 120 -1.004 6.523 -0.671 960 HG23 ILE 120 3HG2 ILE 120 -2.714 6.456 -0.237 961 HD11 ILE 120 3HD1 ILE 120 -1.719 7.845 -3.987 962 HD12 ILE 120 1HD1 ILE 120 -1.661 6.616 -2.737 963 HD13 ILE 120 2HD1 ILE 120 -0.385 7.842 -2.815 964 H GLY 121 H GLY 121 -4.009 10.551 2.033 965 HA2 GLY 121 2HA GLY 121 -3.567 12.783 2.612 966 HA3 GLY 121 1HA GLY 121 -3.059 13.079 0.940 967 H CYS 122 H CYS 122 -4.565 14.786 0.934 968 HA CYS 122 HA CYS 122 -7.301 13.822 0.376 969 HB2 CYS 122 2HB CYS 122 -6.436 16.572 1.315 970 HB3 CYS 122 1HB CYS 122 -8.091 16.051 0.995 971 HG CYS 122 HG CYS 122 -6.140 15.472 3.677 972 H GLY 123 H GLY 123 -4.701 14.244 -1.168 973 HA2 GLY 123 2HA GLY 123 -4.602 14.593 -3.532 974 HA3 GLY 123 1HA GLY 123 -5.825 15.855 -3.361 975 H LEU 124 H LEU 124 -4.606 16.864 -0.971 976 HA LEU 124 HA LEU 124 -3.189 18.395 -0.193 977 HB2 LEU 124 2HB LEU 124 -1.229 17.187 -2.142 978 HB3 LEU 124 1HB LEU 124 -0.793 18.472 -1.049 979 HG LEU 124 HG LEU 124 -1.414 16.894 0.847 980 HD11 LEU 124 1HD1 LEU 124 -2.764 15.310 -0.362 981 HD12 LEU 124 2HD1 LEU 124 -1.388 14.504 0.396 982 HD13 LEU 124 3HD1 LEU 124 -1.372 14.831 -1.336 983 HD21 LEU 124 3HD2 LEU 124 0.870 16.123 -0.958 984 HD22 LEU 124 1HD2 LEU 124 0.713 15.692 0.745 985 HD23 LEU 124 2HD2 LEU 124 0.889 17.383 0.274 986 H ASP 125 H ASP 125 -1.847 20.311 -0.749 987 HA ASP 125 HA ASP 125 -3.113 21.687 -2.997 988 HB2 ASP 125 2HB ASP 125 -3.369 22.740 -0.772 989 HB3 ASP 125 1HB ASP 125 -1.619 22.834 -0.626 990 H ARG 126 H ARG 126 -0.030 20.818 -1.596 991 HA ARG 126 HA ARG 126 1.540 22.093 -3.638 992 HB2 ARG 126 2HB ARG 126 2.208 20.137 -1.446 993 HB3 ARG 126 1HB ARG 126 3.372 20.461 -2.711 994 HG2 ARG 126 2HG ARG 126 3.810 21.769 -0.689 995 HG3 ARG 126 1HG ARG 126 3.474 22.800 -2.070 996 HD2 ARG 126 2HD ARG 126 1.190 23.145 -1.233 997 HD3 ARG 126 1HD ARG 126 1.536 22.077 0.125 998 HE ARG 126 HE ARG 126 3.482 23.989 0.183 999 HH11 ARG 126 1HH1 ARG 126 -0.054 24.103 0.299 1000 HH12 ARG 126 2HH1 ARG 126 -0.119 25.413 1.377 1001 HH21 ARG 126 1HH2 ARG 126 3.377 25.797 1.657 1002 HH22 ARG 126 2HH2 ARG 126 1.872 26.405 2.155 1003 H LEU 127 H LEU 127 -0.312 19.322 -3.512 1004 HA LEU 127 HA LEU 127 0.905 18.346 -5.999 1005 HB2 LEU 127 2HB LEU 127 -0.671 16.637 -4.054 1006 HB3 LEU 127 1HB LEU 127 0.118 16.138 -5.500 1007 HG LEU 127 HG LEU 127 1.510 16.961 -2.959 1008 HD11 LEU 127 1HD1 LEU 127 0.374 14.847 -2.758 1009 HD12 LEU 127 2HD1 LEU 127 2.110 14.572 -2.881 1010 HD13 LEU 127 3HD1 LEU 127 1.075 14.293 -4.278 1011 HD21 LEU 127 3HD2 LEU 127 2.877 17.498 -4.922 1012 HD22 LEU 127 1HD2 LEU 127 2.633 15.854 -5.530 1013 HD23 LEU 127 2HD2 LEU 127 3.526 16.115 -4.031 1014 H GLN 128 H GLN 128 -0.933 16.876 -6.961 1015 HA GLN 128 HA GLN 128 -3.619 17.936 -6.596 1016 HB2 GLN 128 2HB GLN 128 -2.200 17.611 -9.265 1017 HB3 GLN 128 1HB GLN 128 -3.922 17.878 -9.094 1018 HG2 GLN 128 2HG GLN 128 -3.488 20.060 -8.116 1019 HG3 GLN 128 1HG GLN 128 -1.748 19.774 -8.261 1020 HE21 GLN 128 1HE2 GLN 128 -4.696 20.445 -9.981 1021 HE22 GLN 128 2HE2 GLN 128 -3.953 20.884 -11.472 1022 H TRP 129 H TRP 129 -5.013 16.213 -6.513 1023 HA TRP 129 HA TRP 129 -3.971 13.590 -6.516 1024 HB2 TRP 129 2HB TRP 129 -6.018 14.070 -5.240 1025 HB3 TRP 129 1HB TRP 129 -6.882 14.447 -6.730 1026 HD1 TRP 129 HD TRP 129 -7.978 12.461 -8.012 1027 HE1 TRP 129 1HE TRP 129 -8.031 9.912 -7.714 1028 HE3 TRP 129 3HE TRP 129 -4.500 12.029 -4.297 1029 HZ2 TRP 129 2HZ TRP 129 -6.738 7.945 -6.093 1030 HZ3 TRP 129 3HZ TRP 129 -3.977 9.788 -3.434 1031 HH2 TRP 129 HH TRP 129 -5.077 7.799 -4.318 1032 H GLU 130 H GLU 130 -5.495 15.529 -8.899 1033 HA GLU 130 HA GLU 130 -5.974 13.665 -10.904 1034 HB2 GLU 130 2HB GLU 130 -5.171 16.564 -11.067 1035 HB3 GLU 130 1HB GLU 130 -5.806 15.635 -12.424 1036 HG2 GLU 130 2HG GLU 130 -7.899 15.342 -11.359 1037 HG3 GLU 130 1HG GLU 130 -7.295 15.964 -9.835 1038 H ASN 131 H ASN 131 -3.006 15.408 -10.063 1039 HA ASN 131 HA ASN 131 -1.461 14.281 -12.197 1040 HB2 ASN 131 2HB ASN 131 -0.549 15.559 -9.608 1041 HB3 ASN 131 1HB ASN 131 0.540 15.052 -10.889 1042 HD21 ASN 131 1HD2 ASN 131 0.135 17.700 -9.745 1043 HD22 ASN 131 2HD2 ASN 131 -0.378 18.698 -11.038 1044 H VAL 132 H VAL 132 -2.002 13.478 -8.820 1045 HA VAL 132 HA VAL 132 -0.104 11.413 -8.585 1046 HB VAL 132 HB VAL 132 -2.733 11.717 -7.082 1047 HG11 VAL 132 1HG1 VAL 132 -1.867 9.448 -6.881 1048 HG12 VAL 132 2HG1 VAL 132 -1.701 10.311 -5.351 1049 HG13 VAL 132 3HG1 VAL 132 -0.294 10.070 -6.390 1050 HG21 VAL 132 3HG2 VAL 132 -1.356 12.737 -5.320 1051 HG22 VAL 132 1HG2 VAL 132 -1.280 13.660 -6.821 1052 HG23 VAL 132 2HG2 VAL 132 0.061 12.611 -6.360 1053 H SER 133 H SER 133 -3.623 11.155 -9.225 1054 HA SER 133 HA SER 133 -3.820 8.459 -9.649 1055 HB2 SER 133 2HB SER 133 -5.721 10.016 -9.471 1056 HB3 SER 133 1HB SER 133 -5.273 10.751 -11.001 1057 HG SER 133 HG SER 133 -5.878 8.930 -12.061 1058 H ALA 134 H ALA 134 -3.067 11.042 -12.008 1059 HA ALA 134 HA ALA 134 -2.781 9.397 -14.257 1060 HB1 ALA 134 1HB ALA 134 -3.024 11.835 -14.375 1061 HB2 ALA 134 2HB ALA 134 -1.609 11.274 -15.269 1062 HB3 ALA 134 3HB ALA 134 -1.414 12.024 -13.682 1063 H MET 135 H MET 135 -0.419 10.557 -11.939 1064 HA MET 135 HA MET 135 1.979 9.562 -12.923 1065 HB2 MET 135 2HB MET 135 1.780 11.001 -10.981 1066 HB3 MET 135 1HB MET 135 0.968 9.729 -10.087 1067 HG2 MET 135 2HG MET 135 3.078 8.374 -10.359 1068 HG3 MET 135 1HG MET 135 3.834 9.856 -10.947 1069 HE1 MET 135 3HE MET 135 3.913 12.127 -9.450 1070 HE2 MET 135 1HE MET 135 3.286 12.184 -7.805 1071 HE3 MET 135 2HE MET 135 2.175 11.974 -9.160 1072 H ILE 136 H ILE 136 -0.356 8.076 -10.759 1073 HA ILE 136 HA ILE 136 0.938 5.608 -10.459 1074 HB ILE 136 HB ILE 136 -2.035 6.242 -10.197 1075 HG12 ILE 136 2HG1 ILE 136 0.146 6.122 -8.103 1076 HG13 ILE 136 1HG1 ILE 136 -0.590 7.593 -8.725 1077 HG21 ILE 136 1HG2 ILE 136 -2.158 4.259 -8.774 1078 HG22 ILE 136 2HG2 ILE 136 -0.463 3.895 -9.121 1079 HG23 ILE 136 3HG2 ILE 136 -1.665 3.838 -10.413 1080 HD11 ILE 136 3HD1 ILE 136 -2.012 5.435 -7.164 1081 HD12 ILE 136 1HD1 ILE 136 -2.746 6.914 -7.782 1082 HD13 ILE 136 2HD1 ILE 136 -1.497 7.005 -6.540 1083 H GLU 137 H GLU 137 -1.370 6.787 -12.895 1084 HA GLU 137 HA GLU 137 -1.699 4.278 -14.186 1085 HB2 GLU 137 2HB GLU 137 -1.961 7.045 -15.393 1086 HB3 GLU 137 1HB GLU 137 -2.547 5.552 -16.106 1087 HG2 GLU 137 2HG GLU 137 -4.045 5.280 -14.181 1088 HG3 GLU 137 1HG GLU 137 -3.513 6.843 -13.578 1089 H GLU 138 H GLU 138 0.471 7.020 -14.639 1090 HA GLU 138 HA GLU 138 1.744 6.181 -16.987 1091 HB2 GLU 138 2HB GLU 138 2.988 7.794 -14.758 1092 HB3 GLU 138 1HB GLU 138 3.533 7.736 -16.424 1093 HG2 GLU 138 2HG GLU 138 1.307 8.728 -17.082 1094 HG3 GLU 138 1HG GLU 138 0.993 8.924 -15.356 1095 H VAL 139 H VAL 139 2.569 5.574 -13.615 1096 HA VAL 139 HA VAL 139 4.932 4.098 -14.188 1097 HB VAL 139 HB VAL 139 3.189 4.031 -11.693 1098 HG11 VAL 139 1HG1 VAL 139 4.484 2.025 -11.902 1099 HG12 VAL 139 2HG1 VAL 139 5.133 3.002 -10.586 1100 HG13 VAL 139 3HG1 VAL 139 5.968 2.951 -12.139 1101 HG21 VAL 139 3HG2 VAL 139 4.907 5.477 -10.705 1102 HG22 VAL 139 1HG2 VAL 139 4.214 6.240 -12.127 1103 HG23 VAL 139 2HG2 VAL 139 5.800 5.482 -12.214 1104 H PHE 140 H PHE 140 1.635 3.074 -13.391 1105 HA PHE 140 HA PHE 140 2.250 0.331 -13.739 1106 HB2 PHE 140 2HB PHE 140 -0.335 1.729 -13.223 1107 HB3 PHE 140 1HB PHE 140 -0.288 0.021 -13.623 1108 HD1 PHE 140 2HD PHE 140 0.886 -1.553 -12.115 1109 HD2 PHE 140 1HD PHE 140 0.244 2.513 -11.062 1110 HE1 PHE 140 2HE PHE 140 1.248 -2.096 -9.738 1111 HE2 PHE 140 1HE PHE 140 0.621 1.942 -8.691 1112 HZ PHE 140 HZ PHE 140 1.115 -0.418 -8.071 1113 H GLU 141 H GLU 141 1.564 2.683 -16.030 1114 HA GLU 141 HA GLU 141 -0.017 1.534 -17.897 1115 HB2 GLU 141 2HB GLU 141 0.824 3.786 -17.991 1116 HB3 GLU 141 1HB GLU 141 2.455 3.200 -18.250 1117 HG2 GLU 141 2HG GLU 141 1.800 2.269 -20.354 1118 HG3 GLU 141 1HG GLU 141 0.141 2.819 -20.081 1119 H ALA 142 H ALA 142 3.263 0.698 -17.201 1120 HA ALA 142 HA ALA 142 3.490 -0.969 -19.592 1121 HB1 ALA 142 1HB ALA 142 5.780 -1.373 -18.885 1122 HB2 ALA 142 2HB ALA 142 5.465 -0.542 -17.359 1123 HB3 ALA 142 3HB ALA 142 5.422 0.353 -18.877 1124 H THR 143 H THR 143 1.847 -1.404 -16.945 1125 HA THR 143 HA THR 143 2.287 -4.284 -16.790 1126 HB THR 143 HB THR 143 2.078 -4.185 -14.301 1127 HG1 THR 143 1HG THR 143 1.527 -1.607 -14.854 1128 HG21 THR 143 3HG2 THR 143 4.370 -2.495 -15.324 1129 HG22 THR 143 1HG2 THR 143 4.367 -4.260 -15.194 1130 HG23 THR 143 2HG2 THR 143 4.278 -3.255 -13.741 1131 H ASP 144 H ASP 144 0.313 -5.007 -15.158 1132 HA ASP 144 HA ASP 144 -1.957 -3.213 -15.411 1133 HB2 ASP 144 2HB ASP 144 -2.072 -6.082 -16.350 1134 HB3 ASP 144 1HB ASP 144 -3.501 -5.138 -15.972 1135 H ILE 145 H ILE 145 -1.802 -2.806 -13.319 1136 HA ILE 145 HA ILE 145 -2.720 -4.954 -11.590 1137 HB ILE 145 HB ILE 145 -0.727 -2.753 -10.795 1138 HG12 ILE 145 2HG1 ILE 145 -0.272 -5.735 -11.018 1139 HG13 ILE 145 1HG1 ILE 145 0.191 -4.581 -12.258 1140 HG21 ILE 145 1HG2 ILE 145 -1.836 -5.001 -9.166 1141 HG22 ILE 145 2HG2 ILE 145 -2.218 -3.290 -8.989 1142 HG23 ILE 145 3HG2 ILE 145 -0.577 -3.865 -8.682 1143 HD11 ILE 145 3HD1 ILE 145 1.147 -4.431 -9.427 1144 HD12 ILE 145 1HD1 ILE 145 1.709 -3.553 -10.854 1145 HD13 ILE 145 2HD1 ILE 145 2.001 -5.279 -10.747 1146 H LYS 146 H LYS 146 -4.418 -4.365 -10.370 1147 HA LYS 146 HA LYS 146 -5.857 -1.995 -11.145 1148 HB2 LYS 146 2HB LYS 146 -6.470 -4.046 -9.071 1149 HB3 LYS 146 1HB LYS 146 -7.582 -2.889 -9.776 1150 HG2 LYS 146 2HG LYS 146 -7.457 -4.004 -11.888 1151 HG3 LYS 146 1HG LYS 146 -6.220 -5.108 -11.261 1152 HD2 LYS 146 2HD LYS 146 -7.798 -5.698 -9.468 1153 HD3 LYS 146 1HD LYS 146 -8.995 -4.737 -10.340 1154 HE2 LYS 146 2HE LYS 146 -8.949 -6.212 -12.222 1155 HE3 LYS 146 1HE LYS 146 -7.525 -7.050 -11.598 1156 HZ1 LYS 146 3HZ LYS 146 -8.846 -7.790 -9.739 1157 HZ2 LYS 146 1HZ LYS 146 -9.445 -8.399 -11.193 1158 HZ3 LYS 146 2HZ LYS 146 -10.249 -7.126 -10.409 1159 H ILE 147 H ILE 147 -6.605 -0.520 -9.625 1160 HA ILE 147 HA ILE 147 -5.096 -0.422 -7.105 1161 HB ILE 147 HB ILE 147 -5.729 1.967 -8.868 1162 HG12 ILE 147 2HG1 ILE 147 -3.899 0.648 -9.867 1163 HG13 ILE 147 1HG1 ILE 147 -3.312 2.190 -9.261 1164 HG21 ILE 147 1HG2 ILE 147 -5.757 2.512 -6.508 1165 HG22 ILE 147 2HG2 ILE 147 -4.353 3.250 -7.281 1166 HG23 ILE 147 3HG2 ILE 147 -4.164 1.795 -6.298 1167 HD11 ILE 147 3HD1 ILE 147 -2.998 -0.493 -7.934 1168 HD12 ILE 147 1HD1 ILE 147 -2.413 1.046 -7.288 1169 HD13 ILE 147 2HD1 ILE 147 -1.757 0.412 -8.798 1170 H THR 148 H THR 148 -6.580 -0.563 -5.580 1171 HA THR 148 HA THR 148 -9.120 0.783 -6.058 1172 HB THR 148 HB THR 148 -8.551 -1.521 -4.152 1173 HG1 THR 148 1HG THR 148 -8.635 -2.305 -6.254 1174 HG21 THR 148 3HG2 THR 148 -11.146 -0.159 -4.908 1175 HG22 THR 148 1HG2 THR 148 -10.329 -0.027 -3.351 1176 HG23 THR 148 2HG2 THR 148 -10.991 -1.577 -3.868 1177 H VAL 149 H VAL 149 -9.303 2.598 -5.082 1178 HA VAL 149 HA VAL 149 -7.558 3.207 -2.825 1179 HB VAL 149 HB VAL 149 -9.026 5.044 -4.743 1180 HG11 VAL 149 1HG1 VAL 149 -8.872 6.074 -2.533 1181 HG12 VAL 149 2HG1 VAL 149 -7.800 6.861 -3.694 1182 HG13 VAL 149 3HG1 VAL 149 -7.136 5.743 -2.494 1183 HG21 VAL 149 3HG2 VAL 149 -7.117 3.910 -5.720 1184 HG22 VAL 149 1HG2 VAL 149 -6.088 4.477 -4.406 1185 HG23 VAL 149 2HG2 VAL 149 -6.803 5.638 -5.534 1186 H TYR 150 H TYR 150 -8.485 2.950 -0.985 1187 HA TYR 150 HA TYR 150 -11.353 3.365 -0.702 1188 HB2 TYR 150 2HB TYR 150 -9.309 2.279 1.237 1189 HB3 TYR 150 1HB TYR 150 -10.993 2.550 1.646 1190 HD1 TYR 150 1HD TYR 150 -8.769 0.601 -0.605 1191 HD2 TYR 150 2HD TYR 150 -12.615 0.915 1.172 1192 HE1 TYR 150 1HE TYR 150 -9.311 -1.662 -1.385 1193 HE2 TYR 150 2HE TYR 150 -13.165 -1.345 0.395 1194 HH TYR 150 HH TYR 150 -10.794 -3.456 -0.869 1195 H THR 151 H THR 151 -12.191 5.049 0.288 1196 HA THR 151 HA THR 151 -10.307 7.089 1.051 1197 HB THR 151 HB THR 151 -12.380 8.558 1.184 1198 HG1 THR 151 1HG THR 151 -13.691 6.570 -0.293 1199 HG21 THR 151 3HG2 THR 151 -10.939 8.503 -0.813 1200 HG22 THR 151 1HG2 THR 151 -12.636 8.703 -1.258 1201 HG23 THR 151 2HG2 THR 151 -11.858 7.131 -1.431 1202 H LEU 152 H LEU 152 -9.720 7.379 2.998 1203 HA LEU 152 HA LEU 152 -11.153 6.171 5.215 1204 HB2 LEU 152 2HB LEU 152 -8.816 5.497 4.817 1205 HB3 LEU 152 1HB LEU 152 -8.309 7.166 4.942 1206 HG LEU 152 HG LEU 152 -9.007 7.169 7.320 1207 HD11 LEU 152 1HD1 LEU 152 -9.500 5.047 8.429 1208 HD12 LEU 152 2HD1 LEU 152 -9.490 4.231 6.866 1209 HD13 LEU 152 3HD1 LEU 152 -10.721 5.445 7.220 1210 HD21 LEU 152 3HD2 LEU 152 -6.692 6.705 6.711 1211 HD22 LEU 152 1HD2 LEU 152 -7.066 4.988 6.559 1212 HD23 LEU 152 2HD2 LEU 152 -7.165 5.775 8.133 Start of MODEL 19 1 H GLU 1 H GLU 1 -29.701 -21.891 -1.993 2 HA GLU 1 HA GLU 1 -30.947 -19.309 -2.303 3 HB2 GLU 1 2HB GLU 1 -29.131 -18.557 -0.739 4 HB3 GLU 1 1HB GLU 1 -30.269 -19.728 -0.088 5 HG2 GLU 1 2HG GLU 1 -28.673 -21.485 -0.426 6 HG3 GLU 1 1HG GLU 1 -27.537 -20.337 -1.144 7 H ALA 2 H ALA 2 -30.009 -17.564 -3.307 8 HA ALA 2 HA ALA 2 -27.565 -18.072 -4.866 9 HB1 ALA 2 1HB ALA 2 -30.131 -16.937 -5.978 10 HB2 ALA 2 2HB ALA 2 -29.466 -18.537 -6.322 11 HB3 ALA 2 3HB ALA 2 -28.608 -17.093 -6.851 12 H SER 3 H SER 3 -28.438 -16.393 -2.467 13 HA SER 3 HA SER 3 -28.266 -13.701 -3.341 14 HB2 SER 3 2HB SER 3 -27.865 -14.890 -0.587 15 HB3 SER 3 1HB SER 3 -28.077 -13.176 -0.934 16 HG SER 3 HG SER 3 -30.090 -13.836 -1.957 17 H SER 4 H SER 4 -26.450 -13.658 -4.648 18 HA SER 4 HA SER 4 -23.927 -13.399 -3.205 19 HB2 SER 4 2HB SER 4 -24.283 -14.846 -5.839 20 HB3 SER 4 1HB SER 4 -22.760 -14.607 -4.983 21 HG SER 4 HG SER 4 -24.200 -15.704 -3.215 22 H LEU 5 H LEU 5 -23.864 -11.180 -3.434 23 HA LEU 5 HA LEU 5 -24.228 -10.135 -6.138 24 HB2 LEU 5 2HB LEU 5 -24.283 -8.671 -3.505 25 HB3 LEU 5 1HB LEU 5 -24.471 -7.925 -5.075 26 HG LEU 5 HG LEU 5 -26.373 -9.918 -3.844 27 HD11 LEU 5 1HD1 LEU 5 -27.904 -8.021 -3.695 28 HD12 LEU 5 2HD1 LEU 5 -26.632 -6.951 -4.283 29 HD13 LEU 5 3HD1 LEU 5 -26.453 -7.767 -2.728 30 HD21 LEU 5 3HD2 LEU 5 -27.840 -9.349 -5.732 31 HD22 LEU 5 1HD2 LEU 5 -26.349 -10.114 -6.275 32 HD23 LEU 5 2HD2 LEU 5 -26.557 -8.367 -6.431 33 H ASN 6 H ASN 6 -22.379 -10.146 -7.159 34 HA ASN 6 HA ASN 6 -20.339 -8.391 -6.286 35 HB2 ASN 6 2HB ASN 6 -19.583 -10.333 -5.015 36 HB3 ASN 6 1HB ASN 6 -19.608 -11.321 -6.470 37 HD21 ASN 6 1HD2 ASN 6 -17.423 -11.809 -6.247 38 HD22 ASN 6 2HD2 ASN 6 -16.186 -10.674 -6.615 39 H GLU 7 H GLU 7 -20.793 -7.340 -8.098 40 HA GLU 7 HA GLU 7 -19.216 -8.107 -10.325 41 HB2 GLU 7 2HB GLU 7 -21.344 -9.203 -10.922 42 HB3 GLU 7 1HB GLU 7 -22.197 -7.687 -10.671 43 HG2 GLU 7 2HG GLU 7 -20.904 -6.679 -12.488 44 HG3 GLU 7 1HG GLU 7 -20.101 -8.224 -12.760 45 H ASP 8 H ASP 8 -18.061 -6.323 -10.075 46 HA ASP 8 HA ASP 8 -19.515 -3.781 -10.123 47 HB2 ASP 8 2HB ASP 8 -18.542 -4.324 -7.881 48 HB3 ASP 8 1HB ASP 8 -16.950 -4.356 -8.625 49 HA PRO 9 HA PRO 9 -17.218 -3.213 -13.877 50 HB2 PRO 9 2HB PRO 9 -17.335 -0.322 -13.203 51 HB3 PRO 9 1HB PRO 9 -17.852 -1.162 -14.671 52 HG2 PRO 9 2HG PRO 9 -19.650 -0.293 -12.940 53 HG3 PRO 9 1HG PRO 9 -19.829 -1.876 -13.729 54 HD2 PRO 9 2HD PRO 9 -18.915 -1.250 -10.943 55 HD3 PRO 9 1HD PRO 9 -20.003 -2.529 -11.536 56 H GLU 10 H GLU 10 -15.209 -2.800 -14.596 57 HA GLU 10 HA GLU 10 -13.098 -2.539 -12.655 58 HB2 GLU 10 2HB GLU 10 -12.946 -2.714 -15.673 59 HB3 GLU 10 1HB GLU 10 -11.546 -2.676 -14.625 60 HG2 GLU 10 2HG GLU 10 -11.958 -4.932 -15.362 61 HG3 GLU 10 1HG GLU 10 -12.273 -4.832 -13.636 62 H GLY 11 H GLY 11 -14.076 -0.693 -15.398 63 HA2 GLY 11 2HA GLY 11 -14.082 1.633 -15.746 64 HA3 GLY 11 1HA GLY 11 -13.468 1.817 -14.111 65 H SER 12 H SER 12 -11.195 1.424 -13.775 66 HA SER 12 HA SER 12 -9.417 1.425 -16.014 67 HB2 SER 12 2HB SER 12 -10.267 3.829 -15.793 68 HB3 SER 12 1HB SER 12 -9.515 3.867 -14.206 69 HG SER 12 HG SER 12 -7.714 4.415 -15.229 70 H ARG 13 H ARG 13 -7.227 2.358 -14.632 71 HA ARG 13 HA ARG 13 -6.411 0.232 -13.034 72 HB2 ARG 13 2HB ARG 13 -5.451 3.066 -13.142 73 HB3 ARG 13 1HB ARG 13 -4.614 1.825 -12.217 74 HG2 ARG 13 2HG ARG 13 -5.150 1.668 -15.169 75 HG3 ARG 13 1HG ARG 13 -3.639 2.265 -14.463 76 HD2 ARG 13 2HD ARG 13 -3.132 0.252 -13.528 77 HD3 ARG 13 1HD ARG 13 -4.705 -0.477 -13.731 78 HE ARG 13 HE ARG 13 -3.011 0.285 -16.011 79 HH11 ARG 13 1HH1 ARG 13 -4.799 -2.237 -14.248 80 HH12 ARG 13 2HH1 ARG 13 -4.559 -3.407 -15.476 81 HH21 ARG 13 1HH2 ARG 13 -2.690 -1.384 -17.631 82 HH22 ARG 13 2HH2 ARG 13 -3.342 -2.920 -17.396 83 H ILE 14 H ILE 14 -7.331 3.467 -11.960 84 HA ILE 14 HA ILE 14 -7.472 2.545 -9.217 85 HB ILE 14 HB ILE 14 -8.017 5.277 -10.362 86 HG12 ILE 14 2HG1 ILE 14 -5.506 4.225 -9.025 87 HG13 ILE 14 1HG1 ILE 14 -5.671 4.584 -10.739 88 HG21 ILE 14 1HG2 ILE 14 -9.089 4.938 -8.198 89 HG22 ILE 14 2HG2 ILE 14 -7.736 6.052 -8.015 90 HG23 ILE 14 3HG2 ILE 14 -7.568 4.378 -7.509 91 HD11 ILE 14 3HD1 ILE 14 -5.834 6.582 -8.482 92 HD12 ILE 14 1HD1 ILE 14 -5.996 6.955 -10.191 93 HD13 ILE 14 2HD1 ILE 14 -4.468 6.354 -9.568 94 H THR 15 H THR 15 -9.160 1.894 -8.350 95 HA THR 15 HA THR 15 -11.788 2.762 -9.317 96 HB THR 15 HB THR 15 -11.089 0.133 -7.973 97 HG1 THR 15 1HG THR 15 -11.835 0.613 -10.698 98 HG21 THR 15 3HG2 THR 15 -13.397 0.882 -7.559 99 HG22 THR 15 1HG2 THR 15 -13.382 -0.536 -8.607 100 HG23 THR 15 2HG2 THR 15 -13.653 1.064 -9.295 101 H TYR 16 H TYR 16 -12.824 3.919 -7.825 102 HA TYR 16 HA TYR 16 -11.649 4.126 -5.171 103 HB2 TYR 16 2HB TYR 16 -13.752 5.816 -6.515 104 HB3 TYR 16 1HB TYR 16 -13.127 6.093 -4.896 105 HD1 TYR 16 2HD TYR 16 -10.788 6.807 -4.587 106 HD2 TYR 16 1HD TYR 16 -12.516 6.445 -8.456 107 HE1 TYR 16 2HE TYR 16 -8.981 8.166 -5.512 108 HE2 TYR 16 1HE TYR 16 -10.707 7.804 -9.395 109 HH TYR 16 HH TYR 16 -9.110 9.411 -8.690 110 H VAL 17 H VAL 17 -12.421 3.102 -3.538 111 HA VAL 17 HA VAL 17 -15.247 2.330 -3.561 112 HB VAL 17 HB VAL 17 -12.996 0.829 -2.244 113 HG11 VAL 17 1HG1 VAL 17 -14.673 -0.954 -1.919 114 HG12 VAL 17 2HG1 VAL 17 -15.901 0.106 -2.613 115 HG13 VAL 17 3HG1 VAL 17 -15.109 0.549 -1.101 116 HG21 VAL 17 3HG2 VAL 17 -13.339 -0.910 -3.970 117 HG22 VAL 17 1HG2 VAL 17 -12.775 0.625 -4.645 118 HG23 VAL 17 2HG2 VAL 17 -14.474 0.173 -4.783 119 H LYS 18 H LYS 18 -16.293 3.252 -1.973 120 HA LYS 18 HA LYS 18 -14.754 4.388 0.176 121 HB2 LYS 18 2HB LYS 18 -16.922 5.448 0.881 122 HB3 LYS 18 1HB LYS 18 -16.303 5.948 -0.679 123 HG2 LYS 18 2HG LYS 18 -17.948 4.506 -1.781 124 HG3 LYS 18 1HG LYS 18 -18.553 4.000 -0.197 125 HD2 LYS 18 2HD LYS 18 -19.196 6.268 0.332 126 HD3 LYS 18 1HD LYS 18 -18.491 6.855 -1.173 127 HE2 LYS 18 2HE LYS 18 -20.139 5.586 -2.441 128 HE3 LYS 18 1HE LYS 18 -20.811 4.943 -0.944 129 HZ1 LYS 18 3HZ LYS 18 -21.502 7.133 -0.308 130 HZ2 LYS 18 1HZ LYS 18 -22.075 6.837 -1.856 131 HZ3 LYS 18 2HZ LYS 18 -20.746 7.845 -1.625 132 H GLY 19 H GLY 19 -14.345 3.339 1.902 133 HA2 GLY 19 2HA GLY 19 -16.081 2.039 3.552 134 HA3 GLY 19 1HA GLY 19 -15.526 0.815 2.413 135 H ASP 20 H ASP 20 -14.462 -0.298 4.060 136 HA ASP 20 HA ASP 20 -12.319 1.058 5.511 137 HB2 ASP 20 2HB ASP 20 -13.943 -0.462 6.697 138 HB3 ASP 20 1HB ASP 20 -13.307 -1.773 5.735 139 H LEU 21 H LEU 21 -10.185 0.719 5.103 140 HA LEU 21 HA LEU 21 -9.404 -0.637 2.709 141 HB2 LEU 21 2HB LEU 21 -8.273 1.349 3.491 142 HB3 LEU 21 1HB LEU 21 -7.735 0.481 4.917 143 HG LEU 21 HG LEU 21 -6.381 -1.016 3.563 144 HD11 LEU 21 1HD1 LEU 21 -7.369 0.608 1.227 145 HD12 LEU 21 2HD1 LEU 21 -7.749 -1.092 1.543 146 HD13 LEU 21 3HD1 LEU 21 -6.095 -0.604 1.175 147 HD21 LEU 21 3HD2 LEU 21 -4.820 0.624 2.690 148 HD22 LEU 21 1HD2 LEU 21 -5.428 1.044 4.311 149 HD23 LEU 21 2HD2 LEU 21 -6.124 1.817 2.884 150 H PHE 22 H PHE 22 -9.302 -1.397 6.131 151 HA PHE 22 HA PHE 22 -7.560 -3.631 5.812 152 HB2 PHE 22 2HB PHE 22 -9.279 -2.724 8.142 153 HB3 PHE 22 1HB PHE 22 -8.216 -4.126 8.216 154 HD1 PHE 22 2HD PHE 22 -8.040 -0.532 7.206 155 HD2 PHE 22 1HD PHE 22 -6.125 -3.771 9.210 156 HE1 PHE 22 2HE PHE 22 -6.193 0.928 7.818 157 HE2 PHE 22 1HE PHE 22 -4.277 -2.297 9.802 158 HZ PHE 22 HZ PHE 22 -4.305 0.047 9.105 159 H ALA 23 H ALA 23 -10.776 -3.136 5.145 160 HA ALA 23 HA ALA 23 -11.588 -5.874 5.532 161 HB1 ALA 23 1HB ALA 23 -13.175 -4.036 5.871 162 HB2 ALA 23 2HB ALA 23 -13.716 -5.154 4.620 163 HB3 ALA 23 3HB ALA 23 -13.018 -3.597 4.169 164 H CYS 24 H CYS 24 -9.616 -4.436 3.255 165 HA CYS 24 HA CYS 24 -10.750 -5.423 0.882 166 HB2 CYS 24 2HB CYS 24 -8.539 -5.070 -0.155 167 HB3 CYS 24 1HB CYS 24 -9.001 -3.690 0.823 168 HG CYS 24 HG CYS 24 -6.301 -4.072 0.986 169 HA PRO 25 HA PRO 25 -10.118 -9.769 1.134 170 HB2 PRO 25 2HB PRO 25 -9.218 -9.633 -1.701 171 HB3 PRO 25 1HB PRO 25 -10.499 -10.615 -0.981 172 HG2 PRO 25 2HG PRO 25 -11.134 -8.492 -2.434 173 HG3 PRO 25 1HG PRO 25 -12.011 -8.838 -0.934 174 HD2 PRO 25 2HD PRO 25 -9.846 -6.838 -1.441 175 HD3 PRO 25 1HD PRO 25 -11.355 -6.673 -0.511 176 H LYS 26 H LYS 26 -8.480 -11.416 1.105 177 HA LYS 26 HA LYS 26 -5.912 -10.329 1.704 178 HB2 LYS 26 2HB LYS 26 -5.165 -12.493 2.363 179 HB3 LYS 26 1HB LYS 26 -6.825 -12.346 2.891 180 HG2 LYS 26 2HG LYS 26 -5.943 -13.835 0.420 181 HG3 LYS 26 1HG LYS 26 -6.192 -14.581 1.985 182 HD2 LYS 26 2HD LYS 26 -8.565 -13.907 1.888 183 HD3 LYS 26 1HD LYS 26 -8.274 -13.183 0.302 184 HE2 LYS 26 2HE LYS 26 -9.258 -15.441 0.099 185 HE3 LYS 26 1HE LYS 26 -7.647 -15.359 -0.605 186 HZ1 LYS 26 3HZ LYS 26 -6.770 -16.396 1.410 187 HZ2 LYS 26 1HZ LYS 26 -7.933 -17.369 0.711 188 HZ3 LYS 26 2HZ LYS 26 -8.299 -16.472 2.084 189 H THR 27 H THR 27 -7.289 -11.317 -1.186 190 HA THR 27 HA THR 27 -4.876 -12.150 -2.473 191 HB THR 27 HB THR 27 -6.456 -11.921 -4.486 192 HG1 THR 27 1HG THR 27 -8.208 -10.904 -3.903 193 HG21 THR 27 3HG2 THR 27 -7.527 -14.078 -3.935 194 HG22 THR 27 1HG2 THR 27 -7.076 -13.855 -2.245 195 HG23 THR 27 2HG2 THR 27 -5.825 -14.069 -3.473 196 H ASP 28 H ASP 28 -6.380 -9.242 -1.744 197 HA ASP 28 HA ASP 28 -5.038 -7.660 -3.833 198 HB2 ASP 28 2HB ASP 28 -6.989 -6.892 -1.632 199 HB3 ASP 28 1HB ASP 28 -6.291 -5.766 -2.785 200 H SER 29 H SER 29 -3.124 -6.675 -3.376 201 HA SER 29 HA SER 29 -2.192 -6.945 -0.665 202 HB2 SER 29 2HB SER 29 -0.829 -5.953 -3.179 203 HB3 SER 29 1HB SER 29 -0.033 -6.093 -1.598 204 HG SER 29 HG SER 29 -1.325 -8.204 -2.964 205 H LEU 30 H LEU 30 -1.092 -4.966 0.355 206 HA LEU 30 HA LEU 30 -2.995 -2.763 -0.098 207 HB2 LEU 30 2HB LEU 30 -3.367 -4.366 1.921 208 HB3 LEU 30 1HB LEU 30 -1.928 -3.645 2.565 209 HG LEU 30 HG LEU 30 -4.421 -2.082 1.932 210 HD11 LEU 30 1HD1 LEU 30 -4.916 -3.698 3.610 211 HD12 LEU 30 2HD1 LEU 30 -4.793 -2.101 4.371 212 HD13 LEU 30 3HD1 LEU 30 -3.471 -3.264 4.519 213 HD21 LEU 30 3HD2 LEU 30 -1.922 -1.425 3.471 214 HD22 LEU 30 1HD2 LEU 30 -3.357 -0.395 3.468 215 HD23 LEU 30 2HD2 LEU 30 -2.488 -0.721 1.954 216 H ALA 31 H ALA 31 -2.118 -0.728 0.066 217 HA ALA 31 HA ALA 31 0.736 -0.509 0.686 218 HB1 ALA 31 1HB ALA 31 -0.529 0.558 -1.838 219 HB2 ALA 31 2HB ALA 31 0.505 -0.861 -1.735 220 HB3 ALA 31 3HB ALA 31 1.164 0.734 -1.360 221 H HIS 32 H HIS 32 1.417 1.580 1.267 222 HA HIS 32 HA HIS 32 -0.125 3.888 1.037 223 HB2 HIS 32 2HB HIS 32 -0.518 4.425 3.476 224 HB3 HIS 32 1HB HIS 32 -1.506 3.098 2.883 225 HD1 HIS 32 1HD HIS 32 1.094 3.974 5.365 226 HD2 HIS 32 2HD HIS 32 -0.881 0.608 3.953 227 HE1 HIS 32 1HE HIS 32 1.693 2.153 6.964 228 HE2 HIS 32 2HE HIS 32 0.640 0.072 6.005 229 H CYS 33 H CYS 33 0.963 5.741 2.516 230 HA CYS 33 HA CYS 33 3.800 5.361 1.923 231 HB2 CYS 33 2HB CYS 33 2.167 7.874 2.208 232 HB3 CYS 33 1HB CYS 33 3.883 7.807 1.820 233 HG CYS 33 HG CYS 33 2.592 5.892 -0.343 234 H ILE 34 H ILE 34 5.398 5.840 3.369 235 HA ILE 34 HA ILE 34 4.772 6.894 6.012 236 HB ILE 34 HB ILE 34 6.084 5.155 7.184 237 HG12 ILE 34 2HG1 ILE 34 6.190 3.690 4.551 238 HG13 ILE 34 1HG1 ILE 34 7.507 4.629 5.233 239 HG21 ILE 34 1HG2 ILE 34 3.705 4.825 7.087 240 HG22 ILE 34 2HG2 ILE 34 4.574 3.298 7.103 241 HG23 ILE 34 3HG2 ILE 34 3.876 3.901 5.592 242 HD11 ILE 34 3HD1 ILE 34 6.269 2.221 6.545 243 HD12 ILE 34 1HD1 ILE 34 7.621 3.169 7.152 244 HD13 ILE 34 2HD1 ILE 34 7.796 2.241 5.662 245 H SER 35 H SER 35 6.976 7.251 7.203 246 HA SER 35 HA SER 35 8.812 8.345 5.275 247 HB2 SER 35 2HB SER 35 10.013 9.146 7.255 248 HB3 SER 35 1HB SER 35 8.421 9.814 7.167 249 HG SER 35 HG SER 35 8.161 9.014 9.109 250 H GLU 36 H GLU 36 11.229 7.955 5.602 251 HA GLU 36 HA GLU 36 11.790 5.202 5.389 252 HB2 GLU 36 2HB GLU 36 13.035 7.256 4.371 253 HB3 GLU 36 1HB GLU 36 13.872 7.348 5.920 254 HG2 GLU 36 2HG GLU 36 13.866 5.157 3.895 255 HG3 GLU 36 1HG GLU 36 15.152 6.309 4.206 256 H ASP 37 H ASP 37 12.197 7.586 7.980 257 HA ASP 37 HA ASP 37 13.377 5.766 9.853 258 HB2 ASP 37 2HB ASP 37 11.981 8.409 10.294 259 HB3 ASP 37 1HB ASP 37 12.707 7.468 11.586 260 H CYS 38 H CYS 38 10.256 6.147 8.688 261 HA CYS 38 HA CYS 38 8.304 5.131 9.097 262 HB2 CYS 38 2HB CYS 38 10.013 3.284 10.769 263 HB3 CYS 38 1HB CYS 38 8.361 2.948 10.253 264 HG CYS 38 HG CYS 38 9.590 3.715 7.574 265 H ARG 39 H ARG 39 9.235 7.263 10.829 266 HA ARG 39 HA ARG 39 8.178 6.777 13.434 267 HB2 ARG 39 2HB ARG 39 8.616 9.401 12.027 268 HB3 ARG 39 1HB ARG 39 8.273 9.195 13.733 269 HG2 ARG 39 2HG ARG 39 10.394 7.967 13.985 270 HG3 ARG 39 1HG ARG 39 10.739 8.275 12.277 271 HD2 ARG 39 2HD ARG 39 10.485 10.682 12.718 272 HD3 ARG 39 1HD ARG 39 10.272 10.274 14.424 273 HE ARG 39 HE ARG 39 12.678 9.146 13.707 274 HH11 ARG 39 1HH1 ARG 39 11.369 12.448 13.826 275 HH12 ARG 39 2HH1 ARG 39 12.893 13.181 13.982 276 HH21 ARG 39 1HH2 ARG 39 14.731 10.167 13.933 277 HH22 ARG 39 2HH2 ARG 39 14.859 11.876 14.039 278 H MET 40 H MET 40 6.052 5.933 13.131 279 HA MET 40 HA MET 40 4.213 7.906 12.018 280 HB2 MET 40 2HB MET 40 2.516 6.193 11.734 281 HB3 MET 40 1HB MET 40 3.979 5.724 10.897 282 HG2 MET 40 2HG MET 40 3.314 4.795 13.616 283 HG3 MET 40 1HG MET 40 2.668 3.951 12.199 284 HE1 MET 40 3HE MET 40 5.162 4.110 10.176 285 HE2 MET 40 1HE MET 40 4.259 2.628 10.446 286 HE3 MET 40 2HE MET 40 6.009 2.615 10.554 287 H GLY 41 H GLY 41 3.258 9.138 13.314 288 HA2 GLY 41 2HA GLY 41 2.721 8.151 16.039 289 HA3 GLY 41 1HA GLY 41 2.889 9.848 15.595 290 H ALA 42 H ALA 42 1.329 9.221 13.091 291 HA ALA 42 HA ALA 42 -1.314 8.683 14.093 292 HB1 ALA 42 1HB ALA 42 -0.587 11.314 12.782 293 HB2 ALA 42 2HB ALA 42 -1.058 11.111 14.467 294 HB3 ALA 42 3HB ALA 42 -2.220 10.776 13.179 295 H GLY 43 H GLY 43 -2.845 8.736 12.194 296 HA2 GLY 43 2HA GLY 43 -3.168 8.579 9.855 297 HA3 GLY 43 1HA GLY 43 -1.453 8.207 9.686 298 H ILE 44 H ILE 44 -2.703 6.581 8.323 299 HA ILE 44 HA ILE 44 -3.957 4.415 9.686 300 HB ILE 44 HB ILE 44 -4.598 4.980 7.412 301 HG12 ILE 44 2HG1 ILE 44 -3.315 2.267 7.531 302 HG13 ILE 44 1HG1 ILE 44 -4.875 2.660 8.255 303 HG21 ILE 44 1HG2 ILE 44 -1.829 4.083 6.619 304 HG22 ILE 44 2HG2 ILE 44 -2.474 5.726 6.510 305 HG23 ILE 44 3HG2 ILE 44 -3.144 4.446 5.499 306 HD11 ILE 44 3HD1 ILE 44 -5.138 1.527 6.191 307 HD12 ILE 44 1HD1 ILE 44 -4.122 2.722 5.373 308 HD13 ILE 44 2HD1 ILE 44 -5.700 3.198 6.042 309 H ALA 45 H ALA 45 -0.686 5.167 8.950 310 HA ALA 45 HA ALA 45 0.398 2.568 8.859 311 HB1 ALA 45 1HB ALA 45 1.699 4.503 8.147 312 HB2 ALA 45 2HB ALA 45 2.544 3.577 9.373 313 HB3 ALA 45 3HB ALA 45 1.752 5.089 9.809 314 H VAL 46 H VAL 46 -0.687 4.492 11.536 315 HA VAL 46 HA VAL 46 0.773 3.193 13.574 316 HB VAL 46 HB VAL 46 -1.941 4.579 13.775 317 HG11 VAL 46 1HG1 VAL 46 0.050 3.867 15.938 318 HG12 VAL 46 2HG1 VAL 46 -1.523 3.107 15.699 319 HG13 VAL 46 3HG1 VAL 46 -1.423 4.809 16.160 320 HG21 VAL 46 3HG2 VAL 46 -0.638 6.484 14.564 321 HG22 VAL 46 1HG2 VAL 46 -0.191 6.027 12.921 322 HG23 VAL 46 2HG2 VAL 46 0.849 5.582 14.274 323 H LEU 47 H LEU 47 -2.213 2.375 11.929 324 HA LEU 47 HA LEU 47 -2.904 0.219 13.625 325 HB2 LEU 47 2HB LEU 47 -3.691 1.019 10.873 326 HB3 LEU 47 1HB LEU 47 -4.173 -0.549 11.493 327 HG LEU 47 HG LEU 47 -4.839 2.041 12.891 328 HD11 LEU 47 1HD1 LEU 47 -5.888 1.948 10.644 329 HD12 LEU 47 2HD1 LEU 47 -7.081 1.767 11.934 330 HD13 LEU 47 3HD1 LEU 47 -6.533 0.355 11.031 331 HD21 LEU 47 3HD2 LEU 47 -5.865 -0.764 13.082 332 HD22 LEU 47 1HD2 LEU 47 -6.500 0.605 13.994 333 HD23 LEU 47 2HD2 LEU 47 -4.858 0.025 14.303 334 H PHE 48 H PHE 48 -0.860 0.404 10.805 335 HA PHE 48 HA PHE 48 -0.503 -2.443 10.694 336 HB2 PHE 48 2HB PHE 48 1.021 -0.175 9.404 337 HB3 PHE 48 1HB PHE 48 1.411 -1.871 9.136 338 HD1 PHE 48 2HD PHE 48 -1.241 0.676 8.730 339 HD2 PHE 48 1HD PHE 48 0.190 -3.164 7.621 340 HE1 PHE 48 2HE PHE 48 -2.944 0.533 6.941 341 HE2 PHE 48 1HE PHE 48 -1.508 -3.285 5.849 342 HZ PHE 48 HZ PHE 48 -3.064 -1.427 5.528 343 H LYS 49 H LYS 49 1.181 0.243 12.034 344 HA LYS 49 HA LYS 49 3.421 -0.961 13.137 345 HB2 LYS 49 2HB LYS 49 3.163 1.425 13.024 346 HB3 LYS 49 1HB LYS 49 1.667 1.364 13.910 347 HG2 LYS 49 2HG LYS 49 4.296 0.675 15.167 348 HG3 LYS 49 1HG LYS 49 3.729 2.347 15.042 349 HD2 LYS 49 2HD LYS 49 1.650 1.584 16.252 350 HD3 LYS 49 1HD LYS 49 2.462 0.043 16.525 351 HE2 LYS 49 2HE LYS 49 3.383 2.751 17.417 352 HE3 LYS 49 1HE LYS 49 2.655 1.528 18.454 353 HZ1 LYS 49 3HZ LYS 49 5.056 1.546 18.681 354 HZ2 LYS 49 1HZ LYS 49 5.278 1.274 17.044 355 HZ3 LYS 49 2HZ LYS 49 4.596 0.085 18.021 356 H LYS 50 H LYS 50 0.227 -0.490 14.463 357 HA LYS 50 HA LYS 50 0.628 -1.850 16.837 358 HB2 LYS 50 2HB LYS 50 -1.798 -1.023 15.397 359 HB3 LYS 50 1HB LYS 50 -1.898 -1.965 16.888 360 HG2 LYS 50 2HG LYS 50 -0.746 -0.339 18.120 361 HG3 LYS 50 1HG LYS 50 -0.253 0.514 16.660 362 HD2 LYS 50 2HD LYS 50 -1.976 1.643 17.805 363 HD3 LYS 50 1HD LYS 50 -2.447 1.053 16.189 364 HE2 LYS 50 2HE LYS 50 -3.712 -0.746 17.150 365 HE3 LYS 50 1HE LYS 50 -3.194 -0.323 18.793 366 HZ1 LYS 50 3HZ LYS 50 -4.426 1.764 18.535 367 HZ2 LYS 50 1HZ LYS 50 -5.431 0.424 18.333 368 HZ3 LYS 50 2HZ LYS 50 -4.916 1.306 16.994 369 H LYS 51 H LYS 51 -0.954 -2.971 13.809 370 HA LYS 51 HA LYS 51 -1.665 -5.489 14.909 371 HB2 LYS 51 2HB LYS 51 -1.723 -4.438 12.126 372 HB3 LYS 51 1HB LYS 51 -2.282 -6.036 12.582 373 HG2 LYS 51 2HG LYS 51 -3.940 -5.063 14.048 374 HG3 LYS 51 1HG LYS 51 -3.357 -3.440 13.650 375 HD2 LYS 51 2HD LYS 51 -3.861 -3.796 11.361 376 HD3 LYS 51 1HD LYS 51 -4.403 -5.440 11.694 377 HE2 LYS 51 2HE LYS 51 -5.679 -2.922 12.792 378 HE3 LYS 51 1HE LYS 51 -6.315 -3.860 11.442 379 HZ1 LYS 51 3HZ LYS 51 -6.559 -5.752 12.959 380 HZ2 LYS 51 1HZ LYS 51 -7.460 -4.435 13.470 381 HZ3 LYS 51 2HZ LYS 51 -6.013 -4.814 14.241 382 H PHE 52 H PHE 52 0.883 -4.482 12.616 383 HA PHE 52 HA PHE 52 1.677 -7.301 12.508 384 HB2 PHE 52 2HB PHE 52 2.486 -5.029 10.688 385 HB3 PHE 52 1HB PHE 52 2.944 -6.718 10.494 386 HD1 PHE 52 2HD PHE 52 1.065 -8.409 10.138 387 HD2 PHE 52 1HD PHE 52 0.511 -4.214 9.749 388 HE1 PHE 52 2HE PHE 52 -0.974 -8.799 8.822 389 HE2 PHE 52 1HE PHE 52 -1.528 -4.603 8.438 390 HZ PHE 52 HZ PHE 52 -2.271 -6.893 7.972 391 H GLY 53 H GLY 53 2.704 -4.216 13.643 392 HA2 GLY 53 2HA GLY 53 4.534 -3.529 14.829 393 HA3 GLY 53 1HA GLY 53 4.720 -5.214 15.296 394 H GLY 54 H GLY 54 4.850 -4.314 11.970 395 HA2 GLY 54 2HA GLY 54 7.493 -5.492 11.787 396 HA3 GLY 54 1HA GLY 54 6.466 -5.033 10.445 397 H VAL 55 H VAL 55 7.195 -2.794 13.000 398 HA VAL 55 HA VAL 55 8.147 -0.834 11.219 399 HB VAL 55 HB VAL 55 8.488 -0.991 14.228 400 HG11 VAL 55 1HG1 VAL 55 8.739 1.443 14.140 401 HG12 VAL 55 2HG1 VAL 55 8.646 1.379 12.377 402 HG13 VAL 55 3HG1 VAL 55 10.002 0.620 13.215 403 HG21 VAL 55 3HG2 VAL 55 6.497 0.445 14.329 404 HG22 VAL 55 1HG2 VAL 55 6.150 -1.115 13.583 405 HG23 VAL 55 2HG2 VAL 55 6.334 0.325 12.577 406 H GLN 56 H GLN 56 9.778 -3.127 13.387 407 HA GLN 56 HA GLN 56 12.429 -2.283 12.943 408 HB2 GLN 56 2HB GLN 56 11.239 -4.952 13.654 409 HB3 GLN 56 1HB GLN 56 12.949 -4.622 13.594 410 HG2 GLN 56 2HG GLN 56 12.066 -4.656 15.870 411 HG3 GLN 56 1HG GLN 56 12.778 -3.108 15.458 412 HE21 GLN 56 1HE2 GLN 56 11.452 -1.304 15.365 413 HE22 GLN 56 2HE2 GLN 56 9.817 -1.304 15.932 414 H GLU 57 H GLU 57 10.421 -4.642 11.359 415 HA GLU 57 HA GLU 57 12.373 -5.511 9.597 416 HB2 GLU 57 2HB GLU 57 9.407 -5.518 9.345 417 HB3 GLU 57 1HB GLU 57 10.498 -6.323 8.210 418 HG2 GLU 57 2HG GLU 57 10.301 -6.862 11.162 419 HG3 GLU 57 1HG GLU 57 9.729 -7.852 9.812 420 H LEU 58 H LEU 58 10.140 -2.861 9.410 421 HA LEU 58 HA LEU 58 10.719 -2.089 6.744 422 HB2 LEU 58 2HB LEU 58 9.778 -0.417 9.064 423 HB3 LEU 58 1HB LEU 58 9.772 0.092 7.389 424 HG LEU 58 HG LEU 58 8.136 -2.158 8.552 425 HD11 LEU 58 1HD1 LEU 58 7.363 0.024 9.285 426 HD12 LEU 58 2HD1 LEU 58 6.235 -0.677 8.123 427 HD13 LEU 58 3HD1 LEU 58 7.355 0.591 7.614 428 HD21 LEU 58 3HD2 LEU 58 8.188 -0.980 5.780 429 HD22 LEU 58 1HD2 LEU 58 7.026 -2.172 6.364 430 HD23 LEU 58 2HD2 LEU 58 8.730 -2.597 6.236 431 H LEU 59 H LEU 59 12.062 -1.199 9.870 432 HA LEU 59 HA LEU 59 13.879 0.695 8.760 433 HB2 LEU 59 2HB LEU 59 13.787 -0.582 11.486 434 HB3 LEU 59 1HB LEU 59 14.897 0.695 11.031 435 HG LEU 59 HG LEU 59 11.889 0.937 11.092 436 HD11 LEU 59 1HD1 LEU 59 12.845 0.835 13.323 437 HD12 LEU 59 2HD1 LEU 59 12.281 2.469 12.947 438 HD13 LEU 59 3HD1 LEU 59 14.001 2.098 12.889 439 HD21 LEU 59 3HD2 LEU 59 14.028 2.964 10.493 440 HD22 LEU 59 1HD2 LEU 59 12.319 3.316 10.711 441 HD23 LEU 59 2HD2 LEU 59 12.840 2.329 9.349 442 H ASN 60 H ASN 60 14.181 -2.644 9.824 443 HA ASN 60 HA ASN 60 16.912 -2.934 9.492 444 HB2 ASN 60 2HB ASN 60 14.708 -4.981 9.194 445 HB3 ASN 60 1HB ASN 60 16.414 -5.402 9.158 446 HD21 ASN 60 1HD2 ASN 60 14.229 -6.124 11.065 447 HD22 ASN 60 2HD2 ASN 60 14.809 -5.654 12.611 448 H GLN 61 H GLN 61 14.385 -3.072 7.077 449 HA GLN 61 HA GLN 61 16.057 -4.041 4.995 450 HB2 GLN 61 2HB GLN 61 13.419 -2.567 4.844 451 HB3 GLN 61 1HB GLN 61 14.248 -3.231 3.446 452 HG2 GLN 61 2HG GLN 61 14.051 -5.478 4.408 453 HG3 GLN 61 1HG GLN 61 13.224 -4.799 5.806 454 HE21 GLN 61 1HE2 GLN 61 11.098 -4.131 5.568 455 HE22 GLN 61 2HE2 GLN 61 10.128 -4.586 4.208 456 H GLN 62 H GLN 62 15.741 -0.918 6.414 457 HA GLN 62 HA GLN 62 16.214 1.158 5.847 458 HB2 GLN 62 2HB GLN 62 18.648 -0.212 4.723 459 HB3 GLN 62 1HB GLN 62 18.461 1.528 4.927 460 HG2 GLN 62 2HG GLN 62 18.101 1.240 7.285 461 HG3 GLN 62 1HG GLN 62 18.321 -0.500 7.124 462 HE21 GLN 62 1HE2 GLN 62 20.080 -0.510 8.508 463 HE22 GLN 62 2HE2 GLN 62 21.619 0.125 8.058 464 H LYS 63 H LYS 63 14.953 2.268 4.635 465 HA LYS 63 HA LYS 63 14.505 1.317 2.037 466 HB2 LYS 63 2HB LYS 63 13.119 3.214 3.807 467 HB3 LYS 63 1HB LYS 63 12.536 2.596 2.242 468 HG2 LYS 63 2HG LYS 63 12.662 0.379 2.954 469 HG3 LYS 63 1HG LYS 63 13.462 0.849 4.446 470 HD2 LYS 63 2HD LYS 63 10.769 1.476 3.536 471 HD3 LYS 63 1HD LYS 63 11.375 0.223 4.687 472 HE2 LYS 63 2HE LYS 63 11.507 3.247 5.073 473 HE3 LYS 63 1HE LYS 63 10.436 2.187 5.978 474 HZ1 LYS 63 3HZ LYS 63 12.276 2.676 7.313 475 HZ2 LYS 63 1HZ LYS 63 13.374 2.375 6.076 476 HZ3 LYS 63 2HZ LYS 63 12.555 1.071 6.777 477 H LYS 64 H LYS 64 13.820 3.372 0.568 478 HA LYS 64 HA LYS 64 15.452 5.745 1.092 479 HB2 LYS 64 2HB LYS 64 15.100 4.363 -1.568 480 HB3 LYS 64 1HB LYS 64 15.848 5.929 -1.335 481 HG2 LYS 64 2HG LYS 64 16.800 3.404 -0.127 482 HG3 LYS 64 1HG LYS 64 17.407 4.067 -1.669 483 HD2 LYS 64 2HD LYS 64 18.139 6.080 -0.425 484 HD3 LYS 64 1HD LYS 64 17.575 5.335 1.075 485 HE2 LYS 64 2HE LYS 64 19.993 5.065 0.803 486 HE3 LYS 64 1HE LYS 64 19.158 3.512 0.789 487 HZ1 LYS 64 3HZ LYS 64 20.066 4.976 -1.636 488 HZ2 LYS 64 1HZ LYS 64 19.329 3.483 -1.631 489 HZ3 LYS 64 2HZ LYS 64 20.855 3.652 -0.948 490 H SER 65 H SER 65 14.519 7.571 0.358 491 HA SER 65 HA SER 65 11.698 7.552 -0.006 492 HB2 SER 65 2HB SER 65 12.029 10.003 -0.619 493 HB3 SER 65 1HB SER 65 12.614 9.525 0.976 494 HG SER 65 HG SER 65 14.162 9.771 -1.385 495 H GLY 66 H GLY 66 10.685 6.909 -1.724 496 HA2 GLY 66 2HA GLY 66 10.265 6.932 -4.077 497 HA3 GLY 66 1HA GLY 66 11.992 7.177 -4.341 498 H GLU 67 H GLU 67 11.198 5.011 -1.892 499 HA GLU 67 HA GLU 67 11.382 2.705 -3.633 500 HB2 GLU 67 2HB GLU 67 13.636 3.133 -2.719 501 HB3 GLU 67 1HB GLU 67 12.971 3.171 -1.093 502 HG2 GLU 67 2HG GLU 67 12.395 0.831 -1.257 503 HG3 GLU 67 1HG GLU 67 12.969 0.787 -2.920 504 H VAL 68 H VAL 68 10.629 0.759 -2.418 505 HA VAL 68 HA VAL 68 8.549 1.562 -0.544 506 HB VAL 68 HB VAL 68 7.729 1.053 -2.842 507 HG11 VAL 68 1HG1 VAL 68 9.310 -0.681 -3.456 508 HG12 VAL 68 2HG1 VAL 68 7.649 -1.253 -3.648 509 HG13 VAL 68 3HG1 VAL 68 8.621 -1.762 -2.262 510 HG21 VAL 68 3HG2 VAL 68 5.906 -0.329 -2.194 511 HG22 VAL 68 1HG2 VAL 68 6.319 0.829 -0.915 512 HG23 VAL 68 2HG2 VAL 68 6.791 -0.867 -0.741 513 H ALA 69 H ALA 69 8.277 0.242 1.172 514 HA ALA 69 HA ALA 69 10.129 -2.022 1.436 515 HB1 ALA 69 1HB ALA 69 10.224 -0.410 3.229 516 HB2 ALA 69 2HB ALA 69 9.607 -1.949 3.819 517 HB3 ALA 69 3HB ALA 69 8.499 -0.603 3.542 518 H VAL 70 H VAL 70 9.301 -4.048 1.963 519 HA VAL 70 HA VAL 70 6.415 -4.238 1.515 520 HB VAL 70 HB VAL 70 8.487 -6.129 0.415 521 HG11 VAL 70 1HG1 VAL 70 5.520 -5.981 -0.036 522 HG12 VAL 70 2HG1 VAL 70 6.387 -7.215 0.879 523 HG13 VAL 70 3HG1 VAL 70 6.628 -7.075 -0.863 524 HG21 VAL 70 3HG2 VAL 70 6.888 -4.030 -1.053 525 HG22 VAL 70 1HG2 VAL 70 7.916 -5.241 -1.816 526 HG23 VAL 70 2HG2 VAL 70 8.628 -4.003 -0.781 527 H LEU 71 H LEU 71 5.406 -5.528 2.824 528 HA LEU 71 HA LEU 71 6.955 -7.429 4.453 529 HB2 LEU 71 2HB LEU 71 4.355 -6.057 5.194 530 HB3 LEU 71 1HB LEU 71 5.149 -7.275 6.144 531 HG LEU 71 HG LEU 71 6.194 -4.493 5.607 532 HD11 LEU 71 1HD1 LEU 71 5.863 -4.176 8.003 533 HD12 LEU 71 2HD1 LEU 71 5.205 -5.805 8.128 534 HD13 LEU 71 3HD1 LEU 71 4.345 -4.580 7.198 535 HD21 LEU 71 3HD2 LEU 71 8.054 -6.074 5.735 536 HD22 LEU 71 1HD2 LEU 71 7.406 -6.730 7.242 537 HD23 LEU 71 2HD2 LEU 71 7.989 -5.066 7.181 538 H LYS 72 H LYS 72 6.479 -9.467 4.032 539 HA LYS 72 HA LYS 72 4.146 -10.028 2.398 540 HB2 LYS 72 2HB LYS 72 6.289 -10.964 1.738 541 HB3 LYS 72 1HB LYS 72 6.414 -11.811 3.289 542 HG2 LYS 72 2HG LYS 72 4.455 -13.151 2.675 543 HG3 LYS 72 1HG LYS 72 4.336 -12.281 1.145 544 HD2 LYS 72 2HD LYS 72 6.601 -13.091 0.553 545 HD3 LYS 72 1HD LYS 72 6.635 -14.015 2.050 546 HE2 LYS 72 2HE LYS 72 4.671 -15.287 1.308 547 HE3 LYS 72 1HE LYS 72 4.641 -14.358 -0.188 548 HZ1 LYS 72 3HZ LYS 72 6.825 -15.252 -0.741 549 HZ2 LYS 72 1HZ LYS 72 5.734 -16.508 -0.473 550 HZ3 LYS 72 2HZ LYS 72 6.858 -16.109 0.705 551 H ARG 73 H ARG 73 2.459 -10.940 3.188 552 HA ARG 73 HA ARG 73 2.555 -11.864 6.013 553 HB2 ARG 73 2HB ARG 73 0.277 -10.399 4.678 554 HB3 ARG 73 1HB ARG 73 0.298 -10.984 6.331 555 HG2 ARG 73 2HG ARG 73 2.007 -8.800 5.155 556 HG3 ARG 73 1HG ARG 73 0.695 -8.616 6.321 557 HD2 ARG 73 2HD ARG 73 3.337 -10.010 6.759 558 HD3 ARG 73 1HD ARG 73 2.829 -8.475 7.452 559 HE ARG 73 HE ARG 73 0.938 -10.327 8.200 560 HH11 ARG 73 1HH1 ARG 73 4.406 -9.885 8.690 561 HH12 ARG 73 2HH1 ARG 73 4.434 -10.613 10.219 562 HH21 ARG 73 1HH2 ARG 73 0.959 -11.350 10.274 563 HH22 ARG 73 2HH2 ARG 73 2.433 -11.497 11.129 564 H ASP 74 H ASP 74 2.532 -13.062 3.250 565 HA ASP 74 HA ASP 74 1.791 -14.824 2.114 566 HB2 ASP 74 2HB ASP 74 2.191 -16.088 4.213 567 HB3 ASP 74 1HB ASP 74 0.535 -15.757 4.715 568 H GLY 75 H GLY 75 0.430 -14.592 0.609 569 HA2 GLY 75 2HA GLY 75 -1.791 -14.685 -0.253 570 HA3 GLY 75 1HA GLY 75 -2.363 -13.956 1.254 571 H ARG 76 H ARG 76 -0.990 -11.833 1.711 572 HA ARG 76 HA ARG 76 -0.859 -10.350 -0.778 573 HB2 ARG 76 2HB ARG 76 -1.863 -8.428 0.350 574 HB3 ARG 76 1HB ARG 76 -2.984 -9.767 0.127 575 HG2 ARG 76 2HG ARG 76 -2.653 -10.334 2.516 576 HG3 ARG 76 1HG ARG 76 -1.611 -8.915 2.679 577 HD2 ARG 76 2HD ARG 76 -3.440 -7.481 1.958 578 HD3 ARG 76 1HD ARG 76 -4.470 -8.895 1.762 579 HE ARG 76 HE ARG 76 -3.408 -8.606 4.408 580 HH11 ARG 76 1HH1 ARG 76 -6.021 -7.650 2.214 581 HH12 ARG 76 2HH1 ARG 76 -7.124 -7.248 3.413 582 HH21 ARG 76 1HH2 ARG 76 -4.943 -8.013 6.155 583 HH22 ARG 76 2HH2 ARG 76 -6.487 -7.457 5.733 584 H TYR 77 H TYR 77 0.261 -8.323 -0.586 585 HA TYR 77 HA TYR 77 2.450 -8.459 1.357 586 HB2 TYR 77 2HB TYR 77 2.408 -7.348 -1.464 587 HB3 TYR 77 1HB TYR 77 3.768 -7.227 -0.359 588 HD1 TYR 77 2HD TYR 77 1.759 -9.543 -2.417 589 HD2 TYR 77 1HD TYR 77 5.210 -9.089 0.025 590 HE1 TYR 77 2HE TYR 77 2.595 -11.715 -3.200 591 HE2 TYR 77 1HE TYR 77 6.048 -11.259 -0.753 592 HH TYR 77 HH TYR 77 4.719 -12.880 -3.396 593 H ILE 78 H ILE 78 2.981 -6.571 2.407 594 HA ILE 78 HA ILE 78 1.042 -4.386 2.126 595 HB ILE 78 HB ILE 78 3.106 -4.651 4.323 596 HG12 ILE 78 2HG1 ILE 78 1.737 -6.725 4.364 597 HG13 ILE 78 1HG1 ILE 78 1.435 -5.711 5.767 598 HG21 ILE 78 1HG2 ILE 78 0.443 -3.257 4.130 599 HG22 ILE 78 2HG2 ILE 78 2.036 -2.497 4.028 600 HG23 ILE 78 3HG2 ILE 78 1.504 -3.234 5.542 601 HD11 ILE 78 3HD1 ILE 78 -0.625 -4.936 4.745 602 HD12 ILE 78 1HD1 ILE 78 -0.589 -6.697 4.924 603 HD13 ILE 78 2HD1 ILE 78 -0.314 -5.965 3.336 604 H TYR 79 H TYR 79 1.743 -2.630 1.108 605 HA TYR 79 HA TYR 79 4.620 -2.308 0.689 606 HB2 TYR 79 2HB TYR 79 2.296 -1.261 -0.906 607 HB3 TYR 79 1HB TYR 79 3.975 -0.832 -1.208 608 HD1 TYR 79 2HD TYR 79 5.522 -2.451 -2.070 609 HD2 TYR 79 1HD TYR 79 1.445 -3.444 -1.474 610 HE1 TYR 79 2HE TYR 79 5.823 -4.447 -3.435 611 HE2 TYR 79 1HE TYR 79 1.719 -5.445 -2.845 612 HH TYR 79 HH TYR 79 3.232 -6.335 -4.554 613 H TYR 80 H TYR 80 5.641 -0.745 1.488 614 HA TYR 80 HA TYR 80 4.186 1.555 2.576 615 HB2 TYR 80 2HB TYR 80 6.799 0.327 3.444 616 HB3 TYR 80 1HB TYR 80 6.135 1.807 4.103 617 HD1 TYR 80 2HD TYR 80 5.618 -1.837 3.825 618 HD2 TYR 80 1HD TYR 80 4.471 1.739 5.833 619 HE1 TYR 80 2HE TYR 80 4.408 -3.156 5.500 620 HE2 TYR 80 1HE TYR 80 3.268 0.427 7.498 621 HH TYR 80 HH TYR 80 3.635 -2.931 7.774 622 H LEU 81 H LEU 81 4.298 2.968 1.006 623 HA LEU 81 HA LEU 81 6.582 3.320 -0.758 624 HB2 LEU 81 2HB LEU 81 4.131 5.032 -0.357 625 HB3 LEU 81 1HB LEU 81 5.226 5.112 -1.712 626 HG LEU 81 HG LEU 81 3.362 2.808 -1.091 627 HD11 LEU 81 1HD1 LEU 81 2.171 4.781 -1.852 628 HD12 LEU 81 2HD1 LEU 81 2.173 3.528 -3.096 629 HD13 LEU 81 3HD1 LEU 81 3.251 4.912 -3.242 630 HD21 LEU 81 3HD2 LEU 81 5.142 3.238 -3.505 631 HD22 LEU 81 1HD2 LEU 81 4.011 1.913 -3.255 632 HD23 LEU 81 2HD2 LEU 81 5.418 2.067 -2.213 633 H ILE 82 H ILE 82 8.303 4.481 -0.138 634 HA ILE 82 HA ILE 82 8.076 6.184 2.201 635 HB ILE 82 HB ILE 82 10.535 5.688 0.510 636 HG12 ILE 82 2HG1 ILE 82 9.675 3.587 1.520 637 HG13 ILE 82 1HG1 ILE 82 11.233 4.083 2.170 638 HG21 ILE 82 1HG2 ILE 82 11.764 6.496 2.485 639 HG22 ILE 82 2HG2 ILE 82 10.230 6.806 3.298 640 HG23 ILE 82 3HG2 ILE 82 10.663 7.723 1.855 641 HD11 ILE 82 3HD1 ILE 82 10.166 4.917 4.151 642 HD12 ILE 82 1HD1 ILE 82 9.829 3.237 3.903 643 HD13 ILE 82 2HD1 ILE 82 8.562 4.429 3.560 644 H THR 83 H THR 83 6.954 7.963 1.612 645 HA THR 83 HA THR 83 7.999 9.565 -0.580 646 HB THR 83 HB THR 83 5.998 11.073 0.067 647 HG1 THR 83 1HG THR 83 4.408 9.242 0.761 648 HG21 THR 83 3HG2 THR 83 6.117 9.808 -1.990 649 HG22 THR 83 1HG2 THR 83 4.483 9.708 -1.326 650 HG23 THR 83 2HG2 THR 83 5.590 8.340 -1.162 651 H LYS 84 H LYS 84 8.305 9.404 2.846 652 HA LYS 84 HA LYS 84 9.559 11.991 2.711 653 HB2 LYS 84 2HB LYS 84 7.975 10.821 5.019 654 HB3 LYS 84 1HB LYS 84 9.048 12.186 5.174 655 HG2 LYS 84 2HG LYS 84 6.866 13.078 5.064 656 HG3 LYS 84 1HG LYS 84 7.592 13.399 3.500 657 HD2 LYS 84 2HD LYS 84 5.308 12.684 3.185 658 HD3 LYS 84 1HD LYS 84 6.385 11.410 2.608 659 HE2 LYS 84 2HE LYS 84 6.077 10.187 4.702 660 HE3 LYS 84 1HE LYS 84 5.043 11.477 5.307 661 HZ1 LYS 84 3HZ LYS 84 3.453 10.969 3.554 662 HZ2 LYS 84 1HZ LYS 84 3.788 9.602 4.471 663 HZ3 LYS 84 2HZ LYS 84 4.495 9.780 2.945 664 H LYS 85 H LYS 85 11.674 11.466 2.667 665 HA LYS 85 HA LYS 85 12.751 9.139 3.846 666 HB2 LYS 85 2HB LYS 85 13.951 10.424 2.111 667 HB3 LYS 85 1HB LYS 85 14.122 11.767 3.226 668 HG2 LYS 85 2HG LYS 85 15.610 10.567 4.573 669 HG3 LYS 85 1HG LYS 85 15.317 9.046 3.702 670 HD2 LYS 85 2HD LYS 85 16.263 10.087 1.683 671 HD3 LYS 85 1HD LYS 85 16.580 11.559 2.598 672 HE2 LYS 85 2HE LYS 85 18.075 10.356 4.065 673 HE3 LYS 85 1HE LYS 85 17.723 8.842 3.233 674 HZ1 LYS 85 3HZ LYS 85 19.028 11.211 1.989 675 HZ2 LYS 85 1HZ LYS 85 18.703 9.740 1.237 676 HZ3 LYS 85 2HZ LYS 85 19.808 9.808 2.494 677 H ARG 86 H ARG 86 12.240 12.352 4.966 678 HA ARG 86 HA ARG 86 12.572 11.454 7.748 679 HB2 ARG 86 2HB ARG 86 13.041 14.250 6.649 680 HB3 ARG 86 1HB ARG 86 13.155 13.781 8.330 681 HG2 ARG 86 2HG ARG 86 14.972 12.833 6.126 682 HG3 ARG 86 1HG ARG 86 15.345 14.108 7.294 683 HD2 ARG 86 2HD ARG 86 15.011 12.532 9.073 684 HD3 ARG 86 1HD ARG 86 14.730 11.252 7.877 685 HE ARG 86 HE ARG 86 17.183 12.500 7.350 686 HH11 ARG 86 1HH1 ARG 86 15.754 10.227 9.688 687 HH12 ARG 86 2HH1 ARG 86 17.245 9.596 10.190 688 HH21 ARG 86 1HH2 ARG 86 19.236 11.583 8.025 689 HH22 ARG 86 2HH2 ARG 86 19.264 10.365 9.215 690 H ALA 87 H ALA 87 10.974 12.370 9.131 691 HA ALA 87 HA ALA 87 8.407 12.339 8.062 692 HB1 ALA 87 1HB ALA 87 8.919 11.910 10.422 693 HB2 ALA 87 2HB ALA 87 7.638 13.108 10.237 694 HB3 ALA 87 3HB ALA 87 9.273 13.623 10.648 695 H SER 88 H SER 88 10.581 15.009 8.392 696 HA SER 88 HA SER 88 8.553 17.021 7.950 697 HB2 SER 88 2HB SER 88 11.551 17.255 8.046 698 HB3 SER 88 1HB SER 88 10.389 18.573 8.189 699 HG SER 88 HG SER 88 9.764 17.849 10.135 700 H HIS 89 H HIS 89 10.062 14.885 5.896 701 HA HIS 89 HA HIS 89 10.853 16.675 3.824 702 HB2 HIS 89 2HB HIS 89 10.623 13.681 3.885 703 HB3 HIS 89 1HB HIS 89 10.779 14.521 2.368 704 HD1 HIS 89 1HD HIS 89 13.177 13.538 1.935 705 HD2 HIS 89 2HD HIS 89 12.800 15.834 5.361 706 HE1 HIS 89 1HE HIS 89 15.505 13.908 2.724 707 HE2 HIS 89 2HE HIS 89 15.276 15.589 4.572 708 H LYS 90 H LYS 90 10.086 16.885 1.877 709 HA LYS 90 HA LYS 90 7.164 16.806 1.717 710 HB2 LYS 90 2HB LYS 90 7.390 18.466 -0.112 711 HB3 LYS 90 1HB LYS 90 8.136 19.011 1.382 712 HG2 LYS 90 2HG LYS 90 10.336 18.402 0.509 713 HG3 LYS 90 1HG LYS 90 9.593 17.852 -0.992 714 HD2 LYS 90 2HD LYS 90 8.778 20.098 -1.416 715 HD3 LYS 90 1HD LYS 90 9.476 20.657 0.106 716 HE2 LYS 90 2HE LYS 90 11.717 19.987 -0.747 717 HE3 LYS 90 1HE LYS 90 10.962 19.561 -2.282 718 HZ1 LYS 90 3HZ LYS 90 11.925 21.793 -2.351 719 HZ2 LYS 90 1HZ LYS 90 10.986 22.253 -1.044 720 HZ3 LYS 90 2HZ LYS 90 10.244 21.878 -2.505 721 HA PRO 91 HA PRO 91 7.660 13.605 -1.406 722 HB2 PRO 91 2HB PRO 91 4.926 14.056 -2.261 723 HB3 PRO 91 1HB PRO 91 5.583 12.690 -1.369 724 HG2 PRO 91 2HG PRO 91 3.861 14.490 -0.263 725 HG3 PRO 91 1HG PRO 91 5.071 13.600 0.673 726 HD2 PRO 91 2HD PRO 91 5.152 16.410 -0.344 727 HD3 PRO 91 1HD PRO 91 5.671 15.740 1.223 728 H THR 92 H THR 92 8.292 13.679 -3.554 729 HA THR 92 HA THR 92 7.522 16.023 -5.067 730 HB THR 92 HB THR 92 9.657 15.365 -6.394 731 HG1 THR 92 1HG THR 92 11.193 14.355 -4.897 732 HG21 THR 92 3HG2 THR 92 11.140 16.590 -4.889 733 HG22 THR 92 1HG2 THR 92 9.984 16.383 -3.568 734 HG23 THR 92 2HG2 THR 92 9.563 17.374 -4.965 735 H TYR 93 H TYR 93 7.472 15.492 -7.458 736 HA TYR 93 HA TYR 93 5.765 13.283 -7.783 737 HB2 TYR 93 2HB TYR 93 7.050 15.066 -9.822 738 HB3 TYR 93 1HB TYR 93 5.911 13.788 -10.240 739 HD1 TYR 93 2HD TYR 93 3.625 13.889 -8.989 740 HD2 TYR 93 1HD TYR 93 6.271 17.186 -9.406 741 HE1 TYR 93 2HE TYR 93 1.755 15.415 -8.607 742 HE2 TYR 93 1HE TYR 93 4.410 18.735 -9.031 743 HH TYR 93 HH TYR 93 2.034 18.767 -9.237 744 H GLU 94 H GLU 94 9.194 13.750 -8.539 745 HA GLU 94 HA GLU 94 9.618 11.259 -9.827 746 HB2 GLU 94 2HB GLU 94 11.254 13.101 -9.848 747 HB3 GLU 94 1HB GLU 94 11.452 12.945 -8.106 748 HG2 GLU 94 2HG GLU 94 12.243 10.661 -8.442 749 HG3 GLU 94 1HG GLU 94 12.154 10.919 -10.186 750 H ASN 95 H ASN 95 9.688 12.267 -6.454 751 HA ASN 95 HA ASN 95 10.575 9.855 -5.299 752 HB2 ASN 95 2HB ASN 95 10.485 12.160 -4.285 753 HB3 ASN 95 1HB ASN 95 8.772 12.014 -4.243 754 HD21 ASN 95 1HD2 ASN 95 8.803 12.338 -2.097 755 HD22 ASN 95 2HD2 ASN 95 9.222 11.100 -0.974 756 H LEU 96 H LEU 96 7.361 11.199 -5.953 757 HA LEU 96 HA LEU 96 5.799 9.101 -4.956 758 HB2 LEU 96 2HB LEU 96 4.915 11.278 -5.537 759 HB3 LEU 96 1HB LEU 96 5.377 11.048 -7.209 760 HG LEU 96 HG LEU 96 3.716 9.217 -7.371 761 HD11 LEU 96 1HD1 LEU 96 3.650 8.586 -5.022 762 HD12 LEU 96 2HD1 LEU 96 2.046 8.969 -5.640 763 HD13 LEU 96 3HD1 LEU 96 2.907 10.140 -4.637 764 HD21 LEU 96 3HD2 LEU 96 3.199 11.490 -8.085 765 HD22 LEU 96 1HD2 LEU 96 2.651 11.882 -6.459 766 HD23 LEU 96 2HD2 LEU 96 1.780 10.690 -7.428 767 H GLN 97 H GLN 97 6.994 9.810 -8.248 768 HA GLN 97 HA GLN 97 5.973 7.739 -9.648 769 HB2 GLN 97 2HB GLN 97 6.909 9.715 -10.583 770 HB3 GLN 97 1HB GLN 97 8.462 9.394 -9.846 771 HG2 GLN 97 2HG GLN 97 8.857 7.663 -11.200 772 HG3 GLN 97 1HG GLN 97 7.209 7.679 -11.931 773 HE21 GLN 97 1HE2 GLN 97 6.729 9.452 -13.312 774 HE22 GLN 97 2HE2 GLN 97 7.949 10.418 -14.046 775 H LYS 98 H LYS 98 9.153 8.009 -8.061 776 HA LYS 98 HA LYS 98 10.033 5.473 -8.761 777 HB2 LYS 98 2HB LYS 98 10.846 7.341 -6.583 778 HB3 LYS 98 1HB LYS 98 11.641 5.794 -6.739 779 HG2 LYS 98 2HG LYS 98 12.207 6.458 -9.101 780 HG3 LYS 98 1HG LYS 98 11.569 8.055 -8.714 781 HD2 LYS 98 2HD LYS 98 13.210 8.338 -6.975 782 HD3 LYS 98 1HD LYS 98 13.779 6.685 -7.195 783 HE2 LYS 98 2HE LYS 98 13.930 8.889 -9.251 784 HE3 LYS 98 1HE LYS 98 15.267 8.311 -8.259 785 HZ1 LYS 98 3HZ LYS 98 15.341 7.321 -10.465 786 HZ2 LYS 98 1HZ LYS 98 13.796 6.689 -10.297 787 HZ3 LYS 98 2HZ LYS 98 15.053 6.120 -9.344 788 H SER 99 H SER 99 8.137 6.484 -5.989 789 HA SER 99 HA SER 99 8.288 4.034 -4.574 790 HB2 SER 99 2HB SER 99 6.109 6.139 -4.582 791 HB3 SER 99 1HB SER 99 6.339 4.861 -3.380 792 HG SER 99 HG SER 99 8.019 7.094 -3.907 793 H LEU 100 H LEU 100 5.881 5.275 -6.943 794 HA LEU 100 HA LEU 100 4.269 2.930 -7.065 795 HB2 LEU 100 2HB LEU 100 4.760 5.269 -8.923 796 HB3 LEU 100 1HB LEU 100 3.719 3.949 -9.382 797 HG LEU 100 HG LEU 100 2.638 6.026 -8.576 798 HD11 LEU 100 1HD1 LEU 100 0.956 4.767 -7.141 799 HD12 LEU 100 2HD1 LEU 100 2.094 3.431 -7.143 800 HD13 LEU 100 3HD1 LEU 100 1.395 3.963 -8.664 801 HD21 LEU 100 3HD2 LEU 100 2.370 6.358 -6.143 802 HD22 LEU 100 1HD2 LEU 100 4.033 6.594 -6.678 803 HD23 LEU 100 2HD2 LEU 100 3.573 5.099 -5.865 804 H GLU 101 H GLU 101 7.054 3.976 -8.987 805 HA GLU 101 HA GLU 101 7.248 1.860 -10.793 806 HB2 GLU 101 2HB GLU 101 9.361 3.447 -9.362 807 HB3 GLU 101 1HB GLU 101 9.736 2.297 -10.629 808 HG2 GLU 101 2HG GLU 101 7.794 4.471 -11.085 809 HG3 GLU 101 1HG GLU 101 9.513 4.813 -11.156 810 H ALA 102 H ALA 102 8.736 2.200 -7.646 811 HA ALA 102 HA ALA 102 9.952 -0.317 -7.445 812 HB1 ALA 102 1HB ALA 102 10.345 1.623 -5.886 813 HB2 ALA 102 2HB ALA 102 10.097 0.073 -5.073 814 HB3 ALA 102 3HB ALA 102 8.788 1.229 -5.131 815 H MET 103 H MET 103 6.792 0.767 -6.333 816 HA MET 103 HA MET 103 5.981 -1.644 -5.260 817 HB2 MET 103 2HB MET 103 4.953 0.366 -4.543 818 HB3 MET 103 1HB MET 103 4.488 0.798 -6.179 819 HG2 MET 103 2HG MET 103 2.909 -0.713 -6.287 820 HG3 MET 103 1HG MET 103 3.410 -1.650 -4.833 821 HE1 MET 103 3HE MET 103 2.870 2.216 -5.534 822 HE2 MET 103 1HE MET 103 1.210 2.415 -4.976 823 HE3 MET 103 2HE MET 103 1.550 1.394 -6.374 824 H LYS 104 H LYS 104 5.407 -0.303 -8.556 825 HA LYS 104 HA LYS 104 3.815 -2.481 -9.343 826 HB2 LYS 104 2HB LYS 104 3.966 -1.562 -11.582 827 HB3 LYS 104 1HB LYS 104 3.707 -0.286 -10.420 828 HG2 LYS 104 2HG LYS 104 5.136 0.592 -11.939 829 HG3 LYS 104 1HG LYS 104 6.178 0.157 -10.588 830 HD2 LYS 104 2HD LYS 104 6.871 -1.865 -11.806 831 HD3 LYS 104 1HD LYS 104 5.787 -1.405 -13.128 832 HE2 LYS 104 2HE LYS 104 7.065 0.627 -13.492 833 HE3 LYS 104 1HE LYS 104 8.140 0.225 -12.151 834 HZ1 LYS 104 3HZ LYS 104 9.162 -0.341 -14.256 835 HZ2 LYS 104 1HZ LYS 104 7.849 -1.285 -14.697 836 HZ3 LYS 104 2HZ LYS 104 8.836 -1.751 -13.417 837 H SER 105 H SER 105 7.260 -1.884 -9.409 838 HA SER 105 HA SER 105 7.972 -3.974 -11.138 839 HB2 SER 105 2HB SER 105 9.488 -2.092 -10.516 840 HB3 SER 105 1HB SER 105 9.600 -2.749 -8.887 841 HG SER 105 HG SER 105 10.447 -3.916 -11.307 842 H HIS 106 H HIS 106 7.661 -3.796 -7.619 843 HA HIS 106 HA HIS 106 8.507 -6.465 -7.166 844 HB2 HIS 106 2HB HIS 106 8.480 -4.740 -5.385 845 HB3 HIS 106 1HB HIS 106 6.717 -4.793 -5.417 846 HD1 HIS 106 1HD HIS 106 5.773 -6.291 -3.684 847 HD2 HIS 106 2HD HIS 106 9.369 -7.591 -5.191 848 HE1 HIS 106 1HE HIS 106 6.224 -8.301 -2.413 849 HE2 HIS 106 2HE HIS 106 8.628 -8.909 -3.021 850 H CYS 107 H CYS 107 5.369 -5.069 -7.812 851 HA CYS 107 HA CYS 107 3.930 -7.381 -7.165 852 HB2 CYS 107 2HB CYS 107 3.250 -5.116 -9.024 853 HB3 CYS 107 1HB CYS 107 2.101 -6.348 -8.516 854 HG CYS 107 HG CYS 107 3.463 -3.810 -6.786 855 H LEU 108 H LEU 108 5.577 -6.344 -10.086 856 HA LEU 108 HA LEU 108 4.603 -8.277 -11.851 857 HB2 LEU 108 2HB LEU 108 7.344 -7.052 -11.728 858 HB3 LEU 108 1HB LEU 108 6.638 -7.871 -13.101 859 HG LEU 108 HG LEU 108 5.744 -5.261 -11.918 860 HD11 LEU 108 1HD1 LEU 108 7.067 -5.914 -14.534 861 HD12 LEU 108 2HD1 LEU 108 7.821 -5.160 -13.133 862 HD13 LEU 108 3HD1 LEU 108 6.537 -4.308 -14.004 863 HD21 LEU 108 3HD2 LEU 108 3.880 -6.554 -12.742 864 HD22 LEU 108 1HD2 LEU 108 4.692 -6.780 -14.290 865 HD23 LEU 108 2HD2 LEU 108 4.182 -5.158 -13.784 866 H LYS 109 H LYS 109 7.308 -8.276 -9.568 867 HA LYS 109 HA LYS 109 8.490 -10.709 -10.405 868 HB2 LYS 109 2HB LYS 109 8.602 -9.383 -7.706 869 HB3 LYS 109 1HB LYS 109 9.782 -10.511 -8.372 870 HG2 LYS 109 2HG LYS 109 10.218 -8.960 -10.167 871 HG3 LYS 109 1HG LYS 109 9.105 -7.816 -9.466 872 HD2 LYS 109 2HD LYS 109 10.471 -7.715 -7.404 873 HD3 LYS 109 1HD LYS 109 11.653 -8.791 -8.153 874 HE2 LYS 109 2HE LYS 109 12.024 -7.152 -9.940 875 HE3 LYS 109 1HE LYS 109 10.833 -6.085 -9.205 876 HZ1 LYS 109 3HZ LYS 109 13.378 -6.945 -7.943 877 HZ2 LYS 109 1HZ LYS 109 12.246 -5.901 -7.260 878 HZ3 LYS 109 2HZ LYS 109 13.091 -5.442 -8.645 879 H ASN 110 H ASN 110 5.829 -10.019 -8.579 880 HA ASN 110 HA ASN 110 5.700 -12.776 -7.494 881 HB2 ASN 110 2HB ASN 110 4.578 -10.266 -6.279 882 HB3 ASN 110 1HB ASN 110 4.212 -11.886 -5.683 883 HD21 ASN 110 1HD2 ASN 110 6.680 -9.494 -6.138 884 HD22 ASN 110 2HD2 ASN 110 7.824 -10.180 -5.046 885 H GLY 111 H GLY 111 4.380 -11.061 -9.894 886 HA2 GLY 111 2HA GLY 111 2.500 -11.354 -11.188 887 HA3 GLY 111 1HA GLY 111 2.256 -12.864 -10.329 888 H VAL 112 H VAL 112 2.306 -9.645 -8.957 889 HA VAL 112 HA VAL 112 -0.355 -10.090 -7.840 890 HB VAL 112 HB VAL 112 1.681 -7.900 -7.251 891 HG11 VAL 112 1HG1 VAL 112 -0.594 -7.127 -6.838 892 HG12 VAL 112 2HG1 VAL 112 0.283 -7.343 -5.322 893 HG13 VAL 112 3HG1 VAL 112 -0.900 -8.546 -5.833 894 HG21 VAL 112 3HG2 VAL 112 2.015 -9.042 -5.121 895 HG22 VAL 112 1HG2 VAL 112 2.430 -10.085 -6.484 896 HG23 VAL 112 2HG2 VAL 112 0.902 -10.315 -5.633 897 H THR 113 H THR 113 -2.088 -8.981 -8.524 898 HA THR 113 HA THR 113 -1.704 -6.736 -10.387 899 HB THR 113 HB THR 113 -2.147 -8.774 -11.702 900 HG1 THR 113 1HG THR 113 -3.061 -7.049 -12.643 901 HG21 THR 113 3HG2 THR 113 -3.285 -10.127 -10.041 902 HG22 THR 113 1HG2 THR 113 -4.295 -9.983 -11.479 903 HG23 THR 113 2HG2 THR 113 -4.660 -9.031 -10.039 904 H ASP 114 H ASP 114 -2.632 -7.350 -7.430 905 HA ASP 114 HA ASP 114 -4.838 -5.459 -7.600 906 HB2 ASP 114 2HB ASP 114 -4.910 -8.035 -6.044 907 HB3 ASP 114 1HB ASP 114 -6.020 -6.710 -5.736 908 H LEU 115 H LEU 115 -4.765 -3.870 -6.282 909 HA LEU 115 HA LEU 115 -3.078 -3.915 -3.880 910 HB2 LEU 115 2HB LEU 115 -2.852 -1.922 -6.129 911 HB3 LEU 115 1HB LEU 115 -2.188 -1.663 -4.530 912 HG LEU 115 HG LEU 115 -1.395 -3.964 -6.287 913 HD11 LEU 115 1HD1 LEU 115 0.646 -2.616 -6.736 914 HD12 LEU 115 2HD1 LEU 115 -0.048 -1.288 -5.798 915 HD13 LEU 115 3HD1 LEU 115 -0.796 -1.778 -7.317 916 HD21 LEU 115 3HD2 LEU 115 0.475 -4.142 -4.753 917 HD22 LEU 115 1HD2 LEU 115 -1.062 -4.221 -3.892 918 HD23 LEU 115 2HD2 LEU 115 -0.122 -2.737 -3.850 919 H SER 116 H SER 116 -3.723 -2.440 -2.241 920 HA SER 116 HA SER 116 -6.043 -0.840 -2.851 921 HB2 SER 116 2HB SER 116 -7.020 -1.688 -0.675 922 HB3 SER 116 1HB SER 116 -6.996 -2.854 -2.000 923 HG SER 116 HG SER 116 -4.950 -3.595 -1.034 924 H MET 117 H MET 117 -5.921 1.128 -1.970 925 HA MET 117 HA MET 117 -4.309 1.589 0.404 926 HB2 MET 117 2HB MET 117 -3.110 3.493 -0.597 927 HB3 MET 117 1HB MET 117 -2.690 1.990 -1.385 928 HG2 MET 117 2HG MET 117 -4.657 3.997 -2.476 929 HG3 MET 117 1HG MET 117 -2.954 3.942 -2.912 930 HE1 MET 117 3HE MET 117 -1.830 1.910 -4.219 931 HE2 MET 117 1HE MET 117 -2.722 0.489 -4.762 932 HE3 MET 117 2HE MET 117 -2.451 0.750 -3.041 933 HA PRO 118 HA PRO 118 -7.575 4.609 0.839 934 HB2 PRO 118 2HB PRO 118 -6.591 6.061 2.930 935 HB3 PRO 118 1HB PRO 118 -7.268 4.443 3.116 936 HG2 PRO 118 2HG PRO 118 -4.480 5.314 3.341 937 HG3 PRO 118 1HG PRO 118 -5.221 3.794 3.855 938 HD2 PRO 118 2HD PRO 118 -3.657 4.342 1.473 939 HD3 PRO 118 1HD PRO 118 -4.262 2.786 2.071 940 H ARG 119 H ARG 119 -4.525 6.258 1.480 941 HA ARG 119 HA ARG 119 -4.819 7.999 -0.796 942 HB2 ARG 119 2HB ARG 119 -4.459 9.027 2.045 943 HB3 ARG 119 1HB ARG 119 -4.018 9.965 0.641 944 HG2 ARG 119 2HG ARG 119 -6.084 10.824 1.354 945 HG3 ARG 119 1HG ARG 119 -6.467 9.825 -0.035 946 HD2 ARG 119 2HD ARG 119 -7.218 8.038 1.482 947 HD3 ARG 119 1HD ARG 119 -6.823 9.062 2.870 948 HE ARG 119 HE ARG 119 -8.567 10.285 0.957 949 HH11 ARG 119 1HH1 ARG 119 -8.531 8.309 3.915 950 HH12 ARG 119 2HH1 ARG 119 -10.120 8.748 4.351 951 HH21 ARG 119 1HH2 ARG 119 -10.722 10.828 1.594 952 HH22 ARG 119 2HH2 ARG 119 -11.359 10.182 3.060 953 H ILE 120 H ILE 120 -2.861 8.245 -1.739 954 HA ILE 120 HA ILE 120 -0.504 7.739 -0.118 955 HB ILE 120 HB ILE 120 0.586 6.642 -2.077 956 HG12 ILE 120 2HG1 ILE 120 -2.230 6.465 -3.180 957 HG13 ILE 120 1HG1 ILE 120 -0.934 7.454 -3.841 958 HG21 ILE 120 1HG2 ILE 120 -0.161 5.330 -0.250 959 HG22 ILE 120 2HG2 ILE 120 -0.429 4.433 -1.751 960 HG23 ILE 120 3HG2 ILE 120 -1.788 5.206 -0.923 961 HD11 ILE 120 3HD1 ILE 120 -1.288 5.420 -5.121 962 HD12 ILE 120 1HD1 ILE 120 -0.961 4.449 -3.685 963 HD13 ILE 120 2HD1 ILE 120 0.321 5.439 -4.391 964 H GLY 121 H GLY 121 1.480 8.482 -1.363 965 HA2 GLY 121 2HA GLY 121 2.534 10.007 -2.726 966 HA3 GLY 121 1HA GLY 121 0.966 10.664 -3.211 967 H CYS 122 H CYS 122 -0.181 11.328 -0.972 968 HA CYS 122 HA CYS 122 -0.385 12.827 0.695 969 HB2 CYS 122 2HB CYS 122 2.650 12.828 0.856 970 HB3 CYS 122 1HB CYS 122 1.562 13.556 2.030 971 HG CYS 122 HG CYS 122 0.341 10.995 2.497 972 H GLY 123 H GLY 123 -1.314 14.493 -0.216 973 HA2 GLY 123 2HA GLY 123 -0.019 16.115 -2.202 974 HA3 GLY 123 1HA GLY 123 -1.638 16.307 -1.566 975 H LEU 124 H LEU 124 1.713 16.668 -0.510 976 HA LEU 124 HA LEU 124 0.861 19.035 0.987 977 HB2 LEU 124 2HB LEU 124 3.418 17.446 1.213 978 HB3 LEU 124 1HB LEU 124 3.204 18.998 1.976 979 HG LEU 124 HG LEU 124 2.915 17.341 3.628 980 HD11 LEU 124 1HD1 LEU 124 0.208 18.375 2.865 981 HD12 LEU 124 2HD1 LEU 124 1.427 19.201 3.838 982 HD13 LEU 124 3HD1 LEU 124 0.663 17.728 4.436 983 HD21 LEU 124 3HD2 LEU 124 2.461 15.421 2.227 984 HD22 LEU 124 1HD2 LEU 124 0.852 16.045 1.855 985 HD23 LEU 124 2HD2 LEU 124 1.251 15.548 3.502 986 H ASP 125 H ASP 125 0.894 20.784 -0.049 987 HA ASP 125 HA ASP 125 1.534 22.608 -1.152 988 HB2 ASP 125 2HB ASP 125 3.454 22.592 0.321 989 HB3 ASP 125 1HB ASP 125 4.317 21.534 -0.780 990 H ARG 126 H ARG 126 3.779 20.242 -2.522 991 HA ARG 126 HA ARG 126 3.490 21.502 -5.094 992 HB2 ARG 126 2HB ARG 126 5.119 19.118 -4.250 993 HB3 ARG 126 1HB ARG 126 5.078 19.733 -5.892 994 HG2 ARG 126 2HG ARG 126 5.964 21.302 -3.480 995 HG3 ARG 126 1HG ARG 126 7.042 20.514 -4.633 996 HD2 ARG 126 2HD ARG 126 6.136 21.913 -6.431 997 HD3 ARG 126 1HD ARG 126 5.054 22.702 -5.286 998 HE ARG 126 HE ARG 126 7.650 22.934 -4.345 999 HH11 ARG 126 1HH1 ARG 126 5.739 24.099 -7.096 1000 HH12 ARG 126 2HH1 ARG 126 6.549 25.583 -7.228 1001 HH21 ARG 126 1HH2 ARG 126 8.783 24.979 -4.543 1002 HH22 ARG 126 2HH2 ARG 126 8.311 26.105 -5.742 1003 H LEU 127 H LEU 127 2.299 18.545 -3.678 1004 HA LEU 127 HA LEU 127 1.145 18.043 -6.283 1005 HB2 LEU 127 2HB LEU 127 1.055 15.601 -5.838 1006 HB3 LEU 127 1HB LEU 127 2.658 16.263 -5.991 1007 HG LEU 127 HG LEU 127 1.356 15.488 -3.364 1008 HD11 LEU 127 1HD1 LEU 127 2.878 13.577 -3.442 1009 HD12 LEU 127 2HD1 LEU 127 3.400 14.071 -5.057 1010 HD13 LEU 127 3HD1 LEU 127 1.735 13.561 -4.787 1011 HD21 LEU 127 3HD2 LEU 127 3.068 17.217 -3.163 1012 HD22 LEU 127 1HD2 LEU 127 4.188 16.211 -4.069 1013 HD23 LEU 127 2HD2 LEU 127 3.628 15.689 -2.473 1014 H GLN 128 H GLN 128 -0.825 16.572 -6.316 1015 HA GLN 128 HA GLN 128 -2.718 17.120 -4.221 1016 HB2 GLN 128 2HB GLN 128 -2.861 18.957 -5.855 1017 HB3 GLN 128 1HB GLN 128 -2.863 17.792 -7.168 1018 HG2 GLN 128 2HG GLN 128 -4.907 16.914 -6.384 1019 HG3 GLN 128 1HG GLN 128 -4.989 18.123 -5.092 1020 HE21 GLN 128 1HE2 GLN 128 -3.837 18.693 -8.388 1021 HE22 GLN 128 2HE2 GLN 128 -5.085 19.774 -8.830 1022 H TRP 129 H TRP 129 -4.479 15.440 -4.482 1023 HA TRP 129 HA TRP 129 -3.507 12.958 -5.256 1024 HB2 TRP 129 2HB TRP 129 -5.330 13.053 -3.659 1025 HB3 TRP 129 1HB TRP 129 -6.405 13.755 -4.871 1026 HD1 TRP 129 HD TRP 129 -7.757 12.100 -6.347 1027 HE1 TRP 129 1HE TRP 129 -7.766 9.551 -6.693 1028 HE3 TRP 129 3HE TRP 129 -3.640 10.887 -3.575 1029 HZ2 TRP 129 2HZ TRP 129 -6.243 7.327 -5.892 1030 HZ3 TRP 129 3HZ TRP 129 -2.987 8.523 -3.421 1031 HH2 TRP 129 HH TRP 129 -4.263 6.782 -4.552 1032 H GLU 130 H GLU 130 -5.548 15.147 -7.104 1033 HA GLU 130 HA GLU 130 -6.169 13.571 -9.309 1034 HB2 GLU 130 2HB GLU 130 -6.985 15.875 -8.920 1035 HB3 GLU 130 1HB GLU 130 -5.387 16.491 -9.311 1036 HG2 GLU 130 2HG GLU 130 -5.638 15.468 -11.566 1037 HG3 GLU 130 1HG GLU 130 -7.300 15.081 -11.133 1038 H ASN 131 H ASN 131 -3.218 15.216 -8.512 1039 HA ASN 131 HA ASN 131 -1.882 14.866 -11.009 1040 HB2 ASN 131 2HB ASN 131 -0.795 15.529 -8.259 1041 HB3 ASN 131 1HB ASN 131 0.031 15.766 -9.793 1042 HD21 ASN 131 1HD2 ASN 131 0.257 17.960 -9.197 1043 HD22 ASN 131 2HD2 ASN 131 -1.064 19.058 -9.385 1044 H VAL 132 H VAL 132 -2.076 13.286 -7.923 1045 HA VAL 132 HA VAL 132 0.060 11.456 -8.306 1046 HB VAL 132 HB VAL 132 -2.272 11.369 -6.359 1047 HG11 VAL 132 1HG1 VAL 132 -1.309 9.145 -6.636 1048 HG12 VAL 132 2HG1 VAL 132 -0.912 9.803 -5.047 1049 HG13 VAL 132 3HG1 VAL 132 0.299 9.793 -6.328 1050 HG21 VAL 132 3HG2 VAL 132 -0.622 12.215 -4.728 1051 HG22 VAL 132 1HG2 VAL 132 -0.884 13.337 -6.069 1052 HG23 VAL 132 2HG2 VAL 132 0.558 12.339 -6.042 1053 H SER 133 H SER 133 -3.513 11.183 -8.598 1054 HA SER 133 HA SER 133 -3.634 8.516 -9.233 1055 HB2 SER 133 2HB SER 133 -5.830 9.141 -10.313 1056 HB3 SER 133 1HB SER 133 -5.629 9.736 -8.668 1057 HG SER 133 HG SER 133 -6.343 11.429 -9.759 1058 H ALA 134 H ALA 134 -3.050 11.301 -11.284 1059 HA ALA 134 HA ALA 134 -3.031 9.996 -13.776 1060 HB1 ALA 134 1HB ALA 134 -3.044 12.453 -13.547 1061 HB2 ALA 134 2HB ALA 134 -1.724 11.901 -14.580 1062 HB3 ALA 134 3HB ALA 134 -1.400 12.388 -12.916 1063 H MET 135 H MET 135 -0.393 10.741 -11.570 1064 HA MET 135 HA MET 135 1.786 9.590 -12.863 1065 HB2 MET 135 2HB MET 135 1.974 10.922 -10.810 1066 HB3 MET 135 1HB MET 135 1.185 9.645 -9.905 1067 HG2 MET 135 2HG MET 135 3.499 9.464 -9.461 1068 HG3 MET 135 1HG MET 135 3.075 8.130 -10.534 1069 HE1 MET 135 3HE MET 135 5.376 11.940 -11.712 1070 HE2 MET 135 1HE MET 135 4.997 11.453 -10.064 1071 HE3 MET 135 2HE MET 135 3.698 11.943 -11.144 1072 H ILE 136 H ILE 136 -0.499 8.133 -10.611 1073 HA ILE 136 HA ILE 136 0.634 5.585 -10.407 1074 HB ILE 136 HB ILE 136 -2.291 6.372 -10.233 1075 HG12 ILE 136 2HG1 ILE 136 -0.192 6.009 -8.090 1076 HG13 ILE 136 1HG1 ILE 136 -0.828 7.541 -8.645 1077 HG21 ILE 136 1HG2 ILE 136 -2.605 4.298 -8.953 1078 HG22 ILE 136 2HG2 ILE 136 -0.926 3.854 -9.263 1079 HG23 ILE 136 3HG2 ILE 136 -2.072 3.971 -10.601 1080 HD11 ILE 136 3HD1 ILE 136 -2.416 5.393 -7.245 1081 HD12 ILE 136 1HD1 ILE 136 -3.054 6.935 -7.815 1082 HD13 ILE 136 2HD1 ILE 136 -1.847 6.903 -6.531 1083 H GLU 137 H GLU 137 -1.932 6.759 -12.554 1084 HA GLU 137 HA GLU 137 -2.069 4.307 -13.924 1085 HB2 GLU 137 2HB GLU 137 -3.143 7.016 -14.727 1086 HB3 GLU 137 1HB GLU 137 -3.540 5.495 -15.527 1087 HG2 GLU 137 2HG GLU 137 -4.423 4.644 -13.382 1088 HG3 GLU 137 1HG GLU 137 -4.120 6.214 -12.663 1089 H GLU 138 H GLU 138 -0.133 7.202 -14.423 1090 HA GLU 138 HA GLU 138 0.806 6.585 -17.007 1091 HB2 GLU 138 2HB GLU 138 2.308 7.982 -14.777 1092 HB3 GLU 138 1HB GLU 138 2.838 7.920 -16.441 1093 HG2 GLU 138 2HG GLU 138 0.698 9.174 -17.023 1094 HG3 GLU 138 1HG GLU 138 0.488 9.369 -15.272 1095 H VAL 139 H VAL 139 2.110 5.764 -13.824 1096 HA VAL 139 HA VAL 139 4.311 4.270 -14.811 1097 HB VAL 139 HB VAL 139 2.974 4.159 -12.080 1098 HG11 VAL 139 1HG1 VAL 139 4.265 2.142 -12.573 1099 HG12 VAL 139 2HG1 VAL 139 5.019 3.091 -11.285 1100 HG13 VAL 139 3HG1 VAL 139 5.681 3.122 -12.922 1101 HG21 VAL 139 3HG2 VAL 139 4.855 5.559 -11.357 1102 HG22 VAL 139 1HG2 VAL 139 3.905 6.359 -12.610 1103 HG23 VAL 139 2HG2 VAL 139 5.456 5.610 -13.005 1104 H PHE 140 H PHE 140 1.204 3.221 -13.449 1105 HA PHE 140 HA PHE 140 1.690 0.503 -13.926 1106 HB2 PHE 140 2HB PHE 140 -0.763 1.989 -13.122 1107 HB3 PHE 140 1HB PHE 140 -0.849 0.290 -13.560 1108 HD1 PHE 140 2HD PHE 140 0.405 -1.384 -12.270 1109 HD2 PHE 140 1HD PHE 140 0.143 2.674 -11.016 1110 HE1 PHE 140 2HE PHE 140 1.038 -2.039 -10.009 1111 HE2 PHE 140 1HE PHE 140 0.801 1.981 -8.736 1112 HZ PHE 140 HZ PHE 140 1.232 -0.453 -8.288 1113 H GLU 141 H GLU 141 0.787 2.847 -16.176 1114 HA GLU 141 HA GLU 141 -0.932 1.447 -17.827 1115 HB2 GLU 141 2HB GLU 141 -0.372 3.851 -17.980 1116 HB3 GLU 141 1HB GLU 141 1.213 3.419 -18.591 1117 HG2 GLU 141 2HG GLU 141 0.235 2.369 -20.468 1118 HG3 GLU 141 1HG GLU 141 -1.387 2.743 -19.864 1119 H ALA 142 H ALA 142 2.462 1.129 -17.374 1120 HA ALA 142 HA ALA 142 2.846 -0.522 -19.749 1121 HB1 ALA 142 1HB ALA 142 5.181 -0.672 -19.056 1122 HB2 ALA 142 2HB ALA 142 4.790 0.114 -17.528 1123 HB3 ALA 142 3HB ALA 142 4.632 1.003 -19.043 1124 H THR 143 H THR 143 1.432 -1.120 -16.923 1125 HA THR 143 HA THR 143 2.232 -3.950 -16.865 1126 HB THR 143 HB THR 143 1.950 -3.893 -14.376 1127 HG1 THR 143 1HG THR 143 1.003 -1.438 -14.919 1128 HG21 THR 143 3HG2 THR 143 3.989 -1.883 -15.344 1129 HG22 THR 143 1HG2 THR 143 4.231 -3.634 -15.288 1130 HG23 THR 143 2HG2 THR 143 4.014 -2.715 -13.795 1131 H ASP 144 H ASP 144 0.366 -4.917 -15.155 1132 HA ASP 144 HA ASP 144 -2.125 -3.528 -15.623 1133 HB2 ASP 144 2HB ASP 144 -2.130 -5.166 -17.436 1134 HB3 ASP 144 1HB ASP 144 -1.796 -6.466 -16.294 1135 H ILE 145 H ILE 145 -2.057 -2.930 -13.507 1136 HA ILE 145 HA ILE 145 -2.768 -5.057 -11.634 1137 HB ILE 145 HB ILE 145 -0.826 -2.736 -10.969 1138 HG12 ILE 145 2HG1 ILE 145 -0.250 -5.709 -11.175 1139 HG13 ILE 145 1HG1 ILE 145 0.038 -4.590 -12.491 1140 HG21 ILE 145 1HG2 ILE 145 -1.766 -5.013 -9.280 1141 HG22 ILE 145 2HG2 ILE 145 -2.218 -3.321 -9.110 1142 HG23 ILE 145 3HG2 ILE 145 -0.542 -3.810 -8.869 1143 HD11 ILE 145 3HD1 ILE 145 1.255 -4.376 -9.772 1144 HD12 ILE 145 1HD1 ILE 145 1.623 -3.410 -11.203 1145 HD13 ILE 145 2HD1 ILE 145 2.022 -5.136 -11.181 1146 H LYS 146 H LYS 146 -4.554 -4.535 -10.422 1147 HA LYS 146 HA LYS 146 -5.905 -2.057 -11.026 1148 HB2 LYS 146 2HB LYS 146 -6.709 -4.422 -9.352 1149 HB3 LYS 146 1HB LYS 146 -7.701 -2.994 -9.533 1150 HG2 LYS 146 2HG LYS 146 -6.829 -4.798 -11.781 1151 HG3 LYS 146 1HG LYS 146 -8.401 -4.847 -11.000 1152 HD2 LYS 146 2HD LYS 146 -7.338 -2.395 -12.446 1153 HD3 LYS 146 1HD LYS 146 -8.300 -3.632 -13.232 1154 HE2 LYS 146 2HE LYS 146 -9.719 -1.748 -12.646 1155 HE3 LYS 146 1HE LYS 146 -10.174 -3.130 -11.673 1156 HZ1 LYS 146 3HZ LYS 146 -8.529 -0.811 -10.706 1157 HZ2 LYS 146 1HZ LYS 146 -9.101 -2.130 -9.771 1158 HZ3 LYS 146 2HZ LYS 146 -10.154 -1.042 -10.461 1159 H ILE 147 H ILE 147 -6.214 -0.389 -9.735 1160 HA ILE 147 HA ILE 147 -4.787 -0.427 -7.182 1161 HB ILE 147 HB ILE 147 -5.745 1.964 -8.764 1162 HG12 ILE 147 2HG1 ILE 147 -4.291 0.792 -10.302 1163 HG13 ILE 147 1HG1 ILE 147 -3.452 2.208 -9.692 1164 HG21 ILE 147 1HG2 ILE 147 -5.181 2.378 -6.450 1165 HG22 ILE 147 2HG2 ILE 147 -4.035 3.177 -7.526 1166 HG23 ILE 147 3HG2 ILE 147 -3.584 1.683 -6.700 1167 HD11 ILE 147 3HD1 ILE 147 -3.046 -0.631 -8.815 1168 HD12 ILE 147 1HD1 ILE 147 -2.149 0.769 -8.196 1169 HD13 ILE 147 2HD1 ILE 147 -2.020 0.288 -9.903 1170 H THR 148 H THR 148 -6.264 -0.609 -5.528 1171 HA THR 148 HA THR 148 -8.933 0.453 -6.028 1172 HB THR 148 HB THR 148 -8.129 -1.651 -3.998 1173 HG1 THR 148 1HG THR 148 -7.972 -2.748 -5.825 1174 HG21 THR 148 3HG2 THR 148 -10.811 -0.778 -5.084 1175 HG22 THR 148 1HG2 THR 148 -10.185 -0.391 -3.482 1176 HG23 THR 148 2HG2 THR 148 -10.541 -2.066 -3.907 1177 H VAL 149 H VAL 149 -9.175 2.325 -5.124 1178 HA VAL 149 HA VAL 149 -7.594 2.959 -2.770 1179 HB VAL 149 HB VAL 149 -9.038 4.792 -4.707 1180 HG11 VAL 149 1HG1 VAL 149 -8.972 5.745 -2.452 1181 HG12 VAL 149 2HG1 VAL 149 -7.900 6.609 -3.556 1182 HG13 VAL 149 3HG1 VAL 149 -7.225 5.481 -2.383 1183 HG21 VAL 149 3HG2 VAL 149 -7.055 3.706 -5.632 1184 HG22 VAL 149 1HG2 VAL 149 -6.095 4.326 -4.280 1185 HG23 VAL 149 2HG2 VAL 149 -6.838 5.443 -5.428 1186 H TYR 150 H TYR 150 -8.570 2.778 -0.945 1187 HA TYR 150 HA TYR 150 -11.467 2.907 -0.870 1188 HB2 TYR 150 2HB TYR 150 -9.469 1.981 1.198 1189 HB3 TYR 150 1HB TYR 150 -11.188 2.144 1.534 1190 HD1 TYR 150 1HD TYR 150 -8.696 0.288 -0.475 1191 HD2 TYR 150 2HD TYR 150 -12.738 0.475 0.816 1192 HE1 TYR 150 1HE TYR 150 -9.069 -1.989 -1.328 1193 HE2 TYR 150 2HE TYR 150 -13.122 -1.802 -0.036 1194 HH TYR 150 HH TYR 150 -12.146 -3.331 -1.710 1195 H THR 151 H THR 151 -12.318 4.712 -0.605 1196 HA THR 151 HA THR 151 -10.863 6.859 0.690 1197 HB THR 151 HB THR 151 -12.626 8.279 -0.391 1198 HG1 THR 151 1HG THR 151 -14.110 6.472 -0.591 1199 HG21 THR 151 3HG2 THR 151 -10.421 7.953 -1.445 1200 HG22 THR 151 1HG2 THR 151 -11.693 8.070 -2.661 1201 HG23 THR 151 2HG2 THR 151 -11.023 6.496 -2.235 1202 H LEU 152 H LEU 152 -11.678 7.920 2.408 1203 HA LEU 152 HA LEU 152 -14.330 7.332 3.366 1204 HB2 LEU 152 2HB LEU 152 -12.863 5.643 4.434 1205 HB3 LEU 152 1HB LEU 152 -11.837 6.931 5.031 1206 HG LEU 152 HG LEU 152 -13.679 7.745 6.440 1207 HD11 LEU 152 1HD1 LEU 152 -15.687 6.379 6.727 1208 HD12 LEU 152 2HD1 LEU 152 -15.161 5.328 5.411 1209 HD13 LEU 152 3HD1 LEU 152 -15.566 7.015 5.087 1210 HD21 LEU 152 3HD2 LEU 152 -12.070 6.164 7.353 1211 HD22 LEU 152 1HD2 LEU 152 -13.054 4.821 6.769 1212 HD23 LEU 152 2HD2 LEU 152 -13.678 5.885 8.025 Start of MODEL 20 1 H GLU 1 H GLU 1 -25.059 -18.899 3.738 2 HA GLU 1 HA GLU 1 -23.179 -19.669 1.704 3 HB2 GLU 1 2HB GLU 1 -26.185 -19.742 1.691 4 HB3 GLU 1 1HB GLU 1 -25.189 -20.235 0.333 5 HG2 GLU 1 2HG GLU 1 -25.125 -21.438 3.077 6 HG3 GLU 1 1HG GLU 1 -25.902 -22.141 1.653 7 H ALA 2 H ALA 2 -22.243 -17.688 1.557 8 HA ALA 2 HA ALA 2 -23.116 -16.166 -0.673 9 HB1 ALA 2 1HB ALA 2 -23.038 -14.823 2.045 10 HB2 ALA 2 2HB ALA 2 -24.478 -15.068 1.058 11 HB3 ALA 2 3HB ALA 2 -23.196 -13.995 0.495 12 H SER 3 H SER 3 -21.237 -15.864 -1.688 13 HA SER 3 HA SER 3 -18.851 -15.734 -0.059 14 HB2 SER 3 2HB SER 3 -17.716 -16.346 -2.272 15 HB3 SER 3 1HB SER 3 -18.703 -17.599 -1.517 16 HG SER 3 HG SER 3 -18.910 -16.641 -3.942 17 H SER 4 H SER 4 -18.599 -13.640 0.423 18 HA SER 4 HA SER 4 -19.147 -11.645 -1.517 19 HB2 SER 4 2HB SER 4 -18.337 -10.074 0.296 20 HB3 SER 4 1HB SER 4 -19.729 -11.081 0.710 21 HG SER 4 HG SER 4 -17.143 -11.996 1.245 22 H LEU 5 H LEU 5 -17.759 -12.418 -3.066 23 HA LEU 5 HA LEU 5 -15.300 -10.964 -3.292 24 HB2 LEU 5 2HB LEU 5 -15.349 -13.999 -3.482 25 HB3 LEU 5 1HB LEU 5 -14.065 -13.009 -4.124 26 HG LEU 5 HG LEU 5 -14.757 -13.293 -1.195 27 HD11 LEU 5 1HD1 LEU 5 -13.817 -15.333 -2.186 28 HD12 LEU 5 2HD1 LEU 5 -12.697 -14.567 -1.067 29 HD13 LEU 5 3HD1 LEU 5 -12.455 -14.397 -2.807 30 HD21 LEU 5 3HD2 LEU 5 -12.444 -11.910 -2.565 31 HD22 LEU 5 1HD2 LEU 5 -12.638 -12.116 -0.825 32 HD23 LEU 5 2HD2 LEU 5 -13.772 -11.106 -1.726 33 H ASN 6 H ASN 6 -14.455 -11.974 -5.629 34 HA ASN 6 HA ASN 6 -14.787 -12.125 -7.802 35 HB2 ASN 6 2HB ASN 6 -16.113 -14.160 -7.344 36 HB3 ASN 6 1HB ASN 6 -17.558 -13.178 -7.141 37 HD21 ASN 6 1HD2 ASN 6 -18.557 -12.321 -8.978 38 HD22 ASN 6 2HD2 ASN 6 -18.182 -12.847 -10.577 39 H GLU 7 H GLU 7 -14.538 -9.965 -7.950 40 HA GLU 7 HA GLU 7 -16.741 -8.691 -9.252 41 HB2 GLU 7 2HB GLU 7 -16.571 -6.615 -7.935 42 HB3 GLU 7 1HB GLU 7 -17.091 -7.961 -6.940 43 HG2 GLU 7 2HG GLU 7 -14.829 -8.158 -6.042 44 HG3 GLU 7 1HG GLU 7 -14.326 -6.783 -7.030 45 H ASP 8 H ASP 8 -15.920 -6.722 -10.361 46 HA ASP 8 HA ASP 8 -13.036 -6.903 -10.724 47 HB2 ASP 8 2HB ASP 8 -14.002 -8.162 -12.507 48 HB3 ASP 8 1HB ASP 8 -15.064 -6.816 -12.948 49 HA PRO 9 HA PRO 9 -13.855 -2.547 -10.395 50 HB2 PRO 9 2HB PRO 9 -11.424 -1.909 -9.474 51 HB3 PRO 9 1HB PRO 9 -12.720 -2.521 -8.442 52 HG2 PRO 9 2HG PRO 9 -10.294 -3.877 -9.477 53 HG3 PRO 9 1HG PRO 9 -11.155 -4.171 -7.954 54 HD2 PRO 9 2HD PRO 9 -11.360 -5.710 -10.317 55 HD3 PRO 9 1HD PRO 9 -12.467 -5.779 -8.935 56 H GLU 10 H GLU 10 -13.385 -1.053 -11.803 57 HA GLU 10 HA GLU 10 -10.998 -0.833 -13.277 58 HB2 GLU 10 2HB GLU 10 -11.807 -2.810 -14.497 59 HB3 GLU 10 1HB GLU 10 -13.298 -1.965 -14.893 60 HG2 GLU 10 2HG GLU 10 -12.020 -0.315 -16.184 61 HG3 GLU 10 1HG GLU 10 -10.535 -1.159 -15.781 62 H GLY 11 H GLY 11 -11.074 1.261 -12.837 63 HA2 GLY 11 2HA GLY 11 -13.156 2.858 -14.162 64 HA3 GLY 11 1HA GLY 11 -11.896 3.493 -13.087 65 H SER 12 H SER 12 -9.761 2.213 -14.063 66 HA SER 12 HA SER 12 -9.305 2.198 -16.815 67 HB2 SER 12 2HB SER 12 -9.424 4.648 -16.335 68 HB3 SER 12 1HB SER 12 -8.130 4.460 -15.182 69 HG SER 12 HG SER 12 -6.997 4.968 -16.846 70 H ARG 13 H ARG 13 -7.727 3.135 -13.873 71 HA ARG 13 HA ARG 13 -6.411 0.522 -13.602 72 HB2 ARG 13 2HB ARG 13 -5.285 3.275 -13.161 73 HB3 ARG 13 1HB ARG 13 -4.610 1.877 -12.369 74 HG2 ARG 13 2HG ARG 13 -4.851 2.024 -15.341 75 HG3 ARG 13 1HG ARG 13 -3.492 2.741 -14.479 76 HD2 ARG 13 2HD ARG 13 -2.742 0.498 -15.086 77 HD3 ARG 13 1HD ARG 13 -3.129 0.520 -13.411 78 HE ARG 13 HE ARG 13 -5.248 -0.574 -13.918 79 HH11 ARG 13 1HH1 ARG 13 -2.643 -0.807 -16.299 80 HH12 ARG 13 2HH1 ARG 13 -3.170 -2.269 -16.951 81 HH21 ARG 13 1HH2 ARG 13 -5.970 -2.594 -14.770 82 HH22 ARG 13 2HH2 ARG 13 -5.131 -3.365 -16.017 83 H ILE 14 H ILE 14 -7.150 3.579 -12.087 84 HA ILE 14 HA ILE 14 -7.453 2.440 -9.473 85 HB ILE 14 HB ILE 14 -7.812 5.243 -10.515 86 HG12 ILE 14 2HG1 ILE 14 -5.515 3.999 -8.999 87 HG13 ILE 14 1HG1 ILE 14 -5.501 4.415 -10.710 88 HG21 ILE 14 1HG2 ILE 14 -9.118 4.890 -8.524 89 HG22 ILE 14 2HG2 ILE 14 -7.730 5.920 -8.164 90 HG23 ILE 14 3HG2 ILE 14 -7.719 4.217 -7.697 91 HD11 ILE 14 3HD1 ILE 14 -5.783 6.354 -8.425 92 HD12 ILE 14 1HD1 ILE 14 -5.737 6.763 -10.143 93 HD13 ILE 14 2HD1 ILE 14 -4.326 6.051 -9.368 94 H THR 15 H THR 15 -9.160 1.922 -8.595 95 HA THR 15 HA THR 15 -11.728 2.800 -9.675 96 HB THR 15 HB THR 15 -11.122 0.203 -8.231 97 HG1 THR 15 1HG THR 15 -10.117 0.174 -10.202 98 HG21 THR 15 3HG2 THR 15 -13.445 1.018 -8.086 99 HG22 THR 15 1HG2 THR 15 -13.342 -0.445 -9.072 100 HG23 THR 15 2HG2 THR 15 -13.498 1.133 -9.846 101 H TYR 16 H TYR 16 -12.955 3.831 -8.120 102 HA TYR 16 HA TYR 16 -11.650 4.162 -5.542 103 HB2 TYR 16 2HB TYR 16 -13.860 5.768 -6.814 104 HB3 TYR 16 1HB TYR 16 -13.062 6.138 -5.293 105 HD1 TYR 16 2HD TYR 16 -10.523 6.638 -5.378 106 HD2 TYR 16 1HD TYR 16 -13.006 6.574 -8.841 107 HE1 TYR 16 2HE TYR 16 -8.879 7.975 -6.578 108 HE2 TYR 16 1HE TYR 16 -11.342 7.908 -10.059 109 HH TYR 16 HH TYR 16 -9.557 9.462 -9.557 110 H VAL 17 H VAL 17 -12.461 3.421 -3.732 111 HA VAL 17 HA VAL 17 -15.310 2.761 -3.511 112 HB VAL 17 HB VAL 17 -13.096 1.006 -2.399 113 HG11 VAL 17 1HG1 VAL 17 -14.873 -0.605 -1.930 114 HG12 VAL 17 2HG1 VAL 17 -16.066 0.538 -2.543 115 HG13 VAL 17 3HG1 VAL 17 -15.126 0.931 -1.103 116 HG21 VAL 17 3HG2 VAL 17 -13.695 -0.686 -4.027 117 HG22 VAL 17 1HG2 VAL 17 -13.076 0.778 -4.797 118 HG23 VAL 17 2HG2 VAL 17 -14.822 0.454 -4.796 119 H LYS 18 H LYS 18 -16.048 3.402 -1.457 120 HA LYS 18 HA LYS 18 -13.982 4.504 0.250 121 HB2 LYS 18 2HB LYS 18 -15.813 5.542 1.523 122 HB3 LYS 18 1HB LYS 18 -15.812 6.049 -0.157 123 HG2 LYS 18 2HG LYS 18 -17.680 4.493 -0.585 124 HG3 LYS 18 1HG LYS 18 -17.655 4.029 1.118 125 HD2 LYS 18 2HD LYS 18 -18.218 6.796 0.031 126 HD3 LYS 18 1HD LYS 18 -19.415 5.665 0.663 127 HE2 LYS 18 2HE LYS 18 -18.281 5.737 2.862 128 HE3 LYS 18 1HE LYS 18 -17.143 6.914 2.218 129 HZ1 LYS 18 3HZ LYS 18 -18.859 8.029 3.432 130 HZ2 LYS 18 1HZ LYS 18 -20.066 7.282 2.521 131 HZ3 LYS 18 2HZ LYS 18 -19.039 8.405 1.793 132 H GLY 19 H GLY 19 -13.315 3.414 2.040 133 HA2 GLY 19 2HA GLY 19 -14.852 1.845 3.701 134 HA3 GLY 19 1HA GLY 19 -14.246 0.768 2.452 135 H ASP 20 H ASP 20 -12.983 -0.394 3.896 136 HA ASP 20 HA ASP 20 -10.714 1.050 5.119 137 HB2 ASP 20 2HB ASP 20 -12.286 0.216 6.810 138 HB3 ASP 20 1HB ASP 20 -12.186 -1.393 6.123 139 H LEU 21 H LEU 21 -8.659 0.044 5.032 140 HA LEU 21 HA LEU 21 -8.279 -1.605 2.708 141 HB2 LEU 21 2HB LEU 21 -6.313 -0.453 4.623 142 HB3 LEU 21 1HB LEU 21 -5.919 -1.358 3.173 143 HG LEU 21 HG LEU 21 -7.310 1.309 3.288 144 HD11 LEU 21 1HD1 LEU 21 -5.336 2.021 2.119 145 HD12 LEU 21 2HD1 LEU 21 -4.764 0.338 2.171 146 HD13 LEU 21 3HD1 LEU 21 -4.896 1.258 3.669 147 HD21 LEU 21 3HD2 LEU 21 -8.260 -0.029 1.504 148 HD22 LEU 21 1HD2 LEU 21 -6.639 -0.449 0.943 149 HD23 LEU 21 2HD2 LEU 21 -7.195 1.214 0.851 150 H PHE 22 H PHE 22 -8.445 -2.211 6.090 151 HA PHE 22 HA PHE 22 -7.062 -4.751 5.820 152 HB2 PHE 22 2HB PHE 22 -8.428 -3.490 8.223 153 HB3 PHE 22 1HB PHE 22 -7.634 -5.056 8.244 154 HD1 PHE 22 1HD PHE 22 -5.162 -5.113 7.670 155 HD2 PHE 22 2HD PHE 22 -7.225 -1.538 8.680 156 HE1 PHE 22 1HE PHE 22 -3.028 -4.040 8.220 157 HE2 PHE 22 2HE PHE 22 -5.100 -0.459 9.213 158 HZ PHE 22 HZ PHE 22 -2.992 -1.703 8.993 159 H ALA 23 H ALA 23 -10.159 -3.412 5.622 160 HA ALA 23 HA ALA 23 -11.545 -5.937 5.978 161 HB1 ALA 23 1HB ALA 23 -12.596 -3.840 6.730 162 HB2 ALA 23 2HB ALA 23 -13.571 -4.655 5.504 163 HB3 ALA 23 3HB ALA 23 -12.594 -3.257 5.063 164 H CYS 24 H CYS 24 -9.636 -4.924 3.679 165 HA CYS 24 HA CYS 24 -11.232 -5.493 1.336 166 HB2 CYS 24 2HB CYS 24 -8.265 -5.045 1.673 167 HB3 CYS 24 1HB CYS 24 -9.106 -5.160 0.129 168 HG CYS 24 HG CYS 24 -10.201 -2.785 2.272 169 HA PRO 25 HA PRO 25 -10.255 -9.850 1.074 170 HB2 PRO 25 2HB PRO 25 -9.342 -9.404 -1.722 171 HB3 PRO 25 1HB PRO 25 -10.597 -10.492 -1.117 172 HG2 PRO 25 2HG PRO 25 -11.249 -8.276 -2.423 173 HG3 PRO 25 1HG PRO 25 -12.193 -8.820 -1.022 174 HD2 PRO 25 2HD PRO 25 -10.138 -6.656 -1.204 175 HD3 PRO 25 1HD PRO 25 -11.692 -6.673 -0.337 176 H LYS 26 H LYS 26 -8.469 -11.090 1.416 177 HA LYS 26 HA LYS 26 -6.018 -9.747 1.813 178 HB2 LYS 26 2HB LYS 26 -6.693 -12.653 2.025 179 HB3 LYS 26 1HB LYS 26 -5.147 -11.955 2.503 180 HG2 LYS 26 2HG LYS 26 -6.386 -10.463 4.073 181 HG3 LYS 26 1HG LYS 26 -7.854 -11.361 3.679 182 HD2 LYS 26 2HD LYS 26 -5.338 -12.528 4.752 183 HD3 LYS 26 1HD LYS 26 -6.731 -12.111 5.760 184 HE2 LYS 26 2HE LYS 26 -8.094 -13.737 4.518 185 HE3 LYS 26 1HE LYS 26 -6.728 -14.133 3.492 186 HZ1 LYS 26 3HZ LYS 26 -5.543 -14.891 5.462 187 HZ2 LYS 26 1HZ LYS 26 -6.950 -15.789 5.224 188 HZ3 LYS 26 2HZ LYS 26 -6.903 -14.616 6.427 189 H THR 27 H THR 27 -7.305 -11.284 -0.920 190 HA THR 27 HA THR 27 -4.841 -12.083 -2.095 191 HB THR 27 HB THR 27 -6.333 -12.066 -4.171 192 HG1 THR 27 1HG THR 27 -8.048 -10.878 -3.680 193 HG21 THR 27 3HG2 THR 27 -7.452 -14.164 -3.469 194 HG22 THR 27 1HG2 THR 27 -7.046 -13.798 -1.791 195 HG23 THR 27 2HG2 THR 27 -5.763 -14.115 -2.960 196 H ASP 28 H ASP 28 -6.447 -9.160 -1.683 197 HA ASP 28 HA ASP 28 -5.021 -7.759 -3.823 198 HB2 ASP 28 2HB ASP 28 -6.964 -6.786 -1.697 199 HB3 ASP 28 1HB ASP 28 -6.208 -5.743 -2.890 200 H SER 29 H SER 29 -3.233 -6.331 -3.348 201 HA SER 29 HA SER 29 -2.252 -6.857 -0.689 202 HB2 SER 29 2HB SER 29 -0.843 -5.910 -3.201 203 HB3 SER 29 1HB SER 29 -0.055 -6.073 -1.623 204 HG SER 29 HG SER 29 -1.432 -8.155 -2.959 205 H LEU 30 H LEU 30 -0.708 -4.635 -0.116 206 HA LEU 30 HA LEU 30 -2.689 -2.507 -0.402 207 HB2 LEU 30 2HB LEU 30 -2.941 -4.047 1.656 208 HB3 LEU 30 1HB LEU 30 -1.469 -3.300 2.215 209 HG LEU 30 HG LEU 30 -4.051 -1.872 1.669 210 HD11 LEU 30 1HD1 LEU 30 -4.298 -3.359 3.492 211 HD12 LEU 30 2HD1 LEU 30 -4.181 -1.709 4.120 212 HD13 LEU 30 3HD1 LEU 30 -2.788 -2.789 4.223 213 HD21 LEU 30 3HD2 LEU 30 -1.455 -0.936 2.872 214 HD22 LEU 30 1HD2 LEU 30 -2.977 -0.008 2.935 215 HD23 LEU 30 2HD2 LEU 30 -2.252 -0.430 1.380 216 H ALA 31 H ALA 31 -1.750 -0.500 -0.420 217 HA ALA 31 HA ALA 31 1.124 -0.290 0.122 218 HB1 ALA 31 1HB ALA 31 -0.182 0.678 -2.421 219 HB2 ALA 31 2HB ALA 31 0.862 -0.737 -2.276 220 HB3 ALA 31 3HB ALA 31 1.516 0.872 -1.979 221 H HIS 32 H HIS 32 1.829 1.703 0.808 222 HA HIS 32 HA HIS 32 0.472 4.149 0.471 223 HB2 HIS 32 2HB HIS 32 -0.043 4.704 2.854 224 HB3 HIS 32 1HB HIS 32 -1.037 3.372 2.286 225 HD1 HIS 32 1HD HIS 32 1.783 4.185 4.651 226 HD2 HIS 32 2HD HIS 32 -0.683 0.997 3.615 227 HE1 HIS 32 1HE HIS 32 2.255 2.406 6.337 228 HE2 HIS 32 2HE HIS 32 0.938 0.414 5.568 229 H CYS 33 H CYS 33 1.656 5.909 1.978 230 HA CYS 33 HA CYS 33 4.485 5.260 1.638 231 HB2 CYS 33 2HB CYS 33 4.743 7.733 1.668 232 HB3 CYS 33 1HB CYS 33 3.706 7.146 0.370 233 HG CYS 33 HG CYS 33 2.548 8.418 3.311 234 H ILE 34 H ILE 34 6.056 5.693 3.191 235 HA ILE 34 HA ILE 34 5.305 6.713 5.784 236 HB ILE 34 HB ILE 34 6.450 4.938 7.034 237 HG12 ILE 34 2HG1 ILE 34 6.714 3.457 4.428 238 HG13 ILE 34 1HG1 ILE 34 8.001 4.362 5.202 239 HG21 ILE 34 1HG2 ILE 34 4.076 4.670 6.735 240 HG22 ILE 34 2HG2 ILE 34 4.900 3.114 6.821 241 HG23 ILE 34 3HG2 ILE 34 4.352 3.743 5.262 242 HD11 ILE 34 3HD1 ILE 34 6.590 2.026 6.448 243 HD12 ILE 34 1HD1 ILE 34 7.937 2.930 7.130 244 HD13 ILE 34 2HD1 ILE 34 8.177 1.968 5.670 245 H SER 35 H SER 35 7.457 6.902 7.088 246 HA SER 35 HA SER 35 9.398 8.054 5.276 247 HB2 SER 35 2HB SER 35 10.409 8.936 7.348 248 HB3 SER 35 1HB SER 35 8.715 9.385 7.183 249 HG SER 35 HG SER 35 8.262 8.265 8.945 250 H GLU 36 H GLU 36 11.645 7.493 5.373 251 HA GLU 36 HA GLU 36 12.166 4.711 5.609 252 HB2 GLU 36 2HB GLU 36 14.578 5.393 5.280 253 HB3 GLU 36 1HB GLU 36 13.478 5.839 3.978 254 HG2 GLU 36 2HG GLU 36 13.478 8.057 4.759 255 HG3 GLU 36 1HG GLU 36 14.473 7.615 6.172 256 H ASP 37 H ASP 37 12.320 7.213 7.867 257 HA ASP 37 HA ASP 37 14.073 5.696 9.651 258 HB2 ASP 37 2HB ASP 37 14.289 8.195 9.413 259 HB3 ASP 37 1HB ASP 37 12.688 8.355 10.116 260 H CYS 38 H CYS 38 10.902 5.813 8.776 261 HA CYS 38 HA CYS 38 8.996 4.999 9.467 262 HB2 CYS 38 2HB CYS 38 10.728 3.410 11.348 263 HB3 CYS 38 1HB CYS 38 9.007 3.118 11.087 264 HG CYS 38 HG CYS 38 10.320 3.234 8.157 265 H ARG 39 H ARG 39 10.407 7.227 11.191 266 HA ARG 39 HA ARG 39 8.673 7.127 13.409 267 HB2 ARG 39 2HB ARG 39 9.363 9.507 13.881 268 HB3 ARG 39 1HB ARG 39 10.643 8.317 13.875 269 HG2 ARG 39 2HG ARG 39 11.466 10.164 12.928 270 HG3 ARG 39 1HG ARG 39 11.178 9.114 11.545 271 HD2 ARG 39 2HD ARG 39 10.448 11.332 10.928 272 HD3 ARG 39 1HD ARG 39 9.015 10.333 11.210 273 HE ARG 39 HE ARG 39 10.050 12.128 13.288 274 HH11 ARG 39 1HH1 ARG 39 7.313 11.006 11.286 275 HH12 ARG 39 2HH1 ARG 39 6.243 12.155 11.924 276 HH21 ARG 39 1HH2 ARG 39 8.510 13.680 14.151 277 HH22 ARG 39 2HH2 ARG 39 6.916 13.668 13.567 278 H MET 40 H MET 40 6.637 7.391 13.451 279 HA MET 40 HA MET 40 5.294 9.332 11.846 280 HB2 MET 40 2HB MET 40 3.906 7.515 10.616 281 HB3 MET 40 1HB MET 40 5.579 7.681 10.089 282 HG2 MET 40 2HG MET 40 6.112 5.804 11.517 283 HG3 MET 40 1HG MET 40 4.386 5.624 11.840 284 HE1 MET 40 3HE MET 40 5.277 2.744 9.384 285 HE2 MET 40 1HE MET 40 4.602 3.223 10.961 286 HE3 MET 40 2HE MET 40 6.307 3.529 10.616 287 H GLY 41 H GLY 41 3.865 10.094 13.186 288 HA2 GLY 41 2HA GLY 41 2.769 8.318 15.264 289 HA3 GLY 41 1HA GLY 41 2.903 10.067 15.389 290 H ALA 42 H ALA 42 1.883 9.792 12.396 291 HA ALA 42 HA ALA 42 -0.910 9.243 12.982 292 HB1 ALA 42 1HB ALA 42 0.025 11.860 11.779 293 HB2 ALA 42 2HB ALA 42 -0.640 11.659 13.400 294 HB3 ALA 42 3HB ALA 42 -1.653 11.358 11.990 295 H GLY 43 H GLY 43 -2.168 8.887 11.134 296 HA2 GLY 43 2HA GLY 43 -2.193 8.886 8.656 297 HA3 GLY 43 1HA GLY 43 -0.554 8.252 8.762 298 H ILE 44 H ILE 44 -2.345 6.818 7.366 299 HA ILE 44 HA ILE 44 -3.746 4.902 8.924 300 HB ILE 44 HB ILE 44 -4.274 5.363 6.541 301 HG12 ILE 44 2HG1 ILE 44 -3.568 2.478 7.118 302 HG13 ILE 44 1HG1 ILE 44 -5.039 3.298 7.630 303 HG21 ILE 44 1HG2 ILE 44 -1.706 3.879 5.990 304 HG22 ILE 44 2HG2 ILE 44 -2.050 5.571 5.610 305 HG23 ILE 44 3HG2 ILE 44 -2.920 4.284 4.782 306 HD11 ILE 44 3HD1 ILE 44 -5.410 1.910 5.730 307 HD12 ILE 44 1HD1 ILE 44 -4.152 2.793 4.838 308 HD13 ILE 44 2HD1 ILE 44 -5.631 3.627 5.330 309 H ALA 45 H ALA 45 -0.478 5.294 8.084 310 HA ALA 45 HA ALA 45 0.520 2.690 8.209 311 HB1 ALA 45 1HB ALA 45 1.811 4.595 7.398 312 HB2 ALA 45 2HB ALA 45 2.669 3.713 8.660 313 HB3 ALA 45 3HB ALA 45 1.880 5.243 9.038 314 H VAL 46 H VAL 46 -0.587 4.811 10.730 315 HA VAL 46 HA VAL 46 0.814 3.639 12.862 316 HB VAL 46 HB VAL 46 -1.837 5.158 12.901 317 HG11 VAL 46 1HG1 VAL 46 -0.015 4.420 15.196 318 HG12 VAL 46 2HG1 VAL 46 -1.622 3.760 14.907 319 HG13 VAL 46 3HG1 VAL 46 -1.429 5.469 15.303 320 HG21 VAL 46 3HG2 VAL 46 -0.463 7.013 13.674 321 HG22 VAL 46 1HG2 VAL 46 0.050 6.449 12.083 322 HG23 VAL 46 2HG2 VAL 46 0.979 6.013 13.518 323 H LEU 47 H LEU 47 -2.173 2.782 11.263 324 HA LEU 47 HA LEU 47 -3.054 0.801 13.077 325 HB2 LEU 47 2HB LEU 47 -3.477 1.043 10.102 326 HB3 LEU 47 1HB LEU 47 -4.316 -0.094 11.137 327 HG LEU 47 HG LEU 47 -4.517 2.911 11.394 328 HD11 LEU 47 1HD1 LEU 47 -5.501 2.090 9.293 329 HD12 LEU 47 2HD1 LEU 47 -6.735 2.646 10.424 330 HD13 LEU 47 3HD1 LEU 47 -6.453 0.923 10.213 331 HD21 LEU 47 3HD2 LEU 47 -6.083 0.665 12.637 332 HD22 LEU 47 1HD2 LEU 47 -6.406 2.384 12.838 333 HD23 LEU 47 2HD2 LEU 47 -4.919 1.684 13.486 334 H PHE 48 H PHE 48 -0.711 0.790 10.533 335 HA PHE 48 HA PHE 48 -0.428 -2.056 10.450 336 HB2 PHE 48 2HB PHE 48 1.301 0.149 9.326 337 HB3 PHE 48 1HB PHE 48 1.618 -1.567 9.077 338 HD1 PHE 48 2HD PHE 48 -0.884 1.098 8.495 339 HD2 PHE 48 1HD PHE 48 0.509 -2.763 7.412 340 HE1 PHE 48 2HE PHE 48 -2.422 1.075 6.584 341 HE2 PHE 48 1HE PHE 48 -1.036 -2.783 5.503 342 HZ PHE 48 HZ PHE 48 -2.501 -0.851 5.101 343 H LYS 49 H LYS 49 1.175 0.582 12.074 344 HA LYS 49 HA LYS 49 3.234 -0.949 13.279 345 HB2 LYS 49 2HB LYS 49 1.830 1.458 14.363 346 HB3 LYS 49 1HB LYS 49 3.350 0.800 14.949 347 HG2 LYS 49 2HG LYS 49 4.238 1.209 12.601 348 HG3 LYS 49 1HG LYS 49 2.783 2.191 12.366 349 HD2 LYS 49 2HD LYS 49 4.763 2.455 14.537 350 HD3 LYS 49 1HD LYS 49 4.725 3.521 13.121 351 HE2 LYS 49 2HE LYS 49 2.494 4.321 13.802 352 HE3 LYS 49 1HE LYS 49 2.493 3.215 15.174 353 HZ1 LYS 49 3HZ LYS 49 3.046 5.417 15.866 354 HZ2 LYS 49 1HZ LYS 49 4.322 5.526 14.773 355 HZ3 LYS 49 2HZ LYS 49 4.384 4.435 16.064 356 H LYS 50 H LYS 50 -0.044 -0.141 14.136 357 HA LYS 50 HA LYS 50 -0.080 -1.230 16.654 358 HB2 LYS 50 2HB LYS 50 -2.209 -0.528 14.735 359 HB3 LYS 50 1HB LYS 50 -2.583 -1.256 16.303 360 HG2 LYS 50 2HG LYS 50 -1.514 0.479 17.471 361 HG3 LYS 50 1HG LYS 50 -0.826 1.144 15.995 362 HD2 LYS 50 2HD LYS 50 -2.641 2.426 16.800 363 HD3 LYS 50 1HD LYS 50 -2.941 1.668 15.209 364 HE2 LYS 50 2HE LYS 50 -4.370 0.016 16.207 365 HE3 LYS 50 1HE LYS 50 -4.000 0.580 17.838 366 HZ1 LYS 50 3HZ LYS 50 -5.176 2.619 17.364 367 HZ2 LYS 50 1HZ LYS 50 -6.161 1.311 17.045 368 HZ3 LYS 50 2HZ LYS 50 -5.465 2.147 15.763 369 H LYS 51 H LYS 51 -1.261 -2.621 13.524 370 HA LYS 51 HA LYS 51 -1.938 -5.034 14.840 371 HB2 LYS 51 2HB LYS 51 -2.033 -4.282 11.953 372 HB3 LYS 51 1HB LYS 51 -2.583 -5.817 12.604 373 HG2 LYS 51 2HG LYS 51 -4.171 -4.546 14.054 374 HG3 LYS 51 1HG LYS 51 -3.691 -3.085 13.187 375 HD2 LYS 51 2HD LYS 51 -4.323 -4.113 11.108 376 HD3 LYS 51 1HD LYS 51 -4.840 -5.564 11.964 377 HE2 LYS 51 2HE LYS 51 -6.486 -4.139 13.234 378 HE3 LYS 51 1HE LYS 51 -6.038 -2.795 12.195 379 HZ1 LYS 51 3HZ LYS 51 -6.865 -4.051 10.305 380 HZ2 LYS 51 1HZ LYS 51 -8.054 -3.862 11.483 381 HZ3 LYS 51 2HZ LYS 51 -7.269 -5.344 11.310 382 H PHE 52 H PHE 52 0.662 -4.088 12.549 383 HA PHE 52 HA PHE 52 1.504 -6.900 12.605 384 HB2 PHE 52 2HB PHE 52 2.424 -4.688 10.774 385 HB3 PHE 52 1HB PHE 52 2.884 -6.380 10.656 386 HD1 PHE 52 2HD PHE 52 0.722 -8.003 10.596 387 HD2 PHE 52 1HD PHE 52 0.837 -3.951 9.317 388 HE1 PHE 52 2HE PHE 52 -1.228 -8.403 9.143 389 HE2 PHE 52 1HE PHE 52 -1.095 -4.343 7.872 390 HZ PHE 52 HZ PHE 52 -2.136 -6.575 7.777 391 H GLY 53 H GLY 53 2.484 -3.764 13.692 392 HA2 GLY 53 2HA GLY 53 4.366 -3.000 14.799 393 HA3 GLY 53 1HA GLY 53 4.447 -4.632 15.451 394 H GLY 54 H GLY 54 4.859 -3.596 12.104 395 HA2 GLY 54 2HA GLY 54 7.355 -5.123 12.052 396 HA3 GLY 54 1HA GLY 54 6.419 -4.639 10.651 397 H VAL 55 H VAL 55 7.281 -2.420 13.206 398 HA VAL 55 HA VAL 55 8.378 -0.556 11.403 399 HB VAL 55 HB VAL 55 8.727 -0.714 14.415 400 HG11 VAL 55 1HG1 VAL 55 9.193 1.674 14.298 401 HG12 VAL 55 2HG1 VAL 55 9.073 1.605 12.539 402 HG13 VAL 55 3HG1 VAL 55 10.374 0.743 13.369 403 HG21 VAL 55 3HG2 VAL 55 6.877 0.881 14.515 404 HG22 VAL 55 1HG2 VAL 55 6.376 -0.623 13.744 405 HG23 VAL 55 2HG2 VAL 55 6.707 0.805 12.763 406 H GLN 56 H GLN 56 9.904 -2.861 13.646 407 HA GLN 56 HA GLN 56 12.591 -2.218 13.032 408 HB2 GLN 56 2HB GLN 56 11.216 -4.634 14.167 409 HB3 GLN 56 1HB GLN 56 12.950 -4.562 13.944 410 HG2 GLN 56 2HG GLN 56 12.231 -4.161 16.272 411 HG3 GLN 56 1HG GLN 56 13.115 -2.802 15.602 412 HE21 GLN 56 1HE2 GLN 56 12.058 -0.886 15.297 413 HE22 GLN 56 2HE2 GLN 56 10.503 -0.526 15.960 414 H GLU 57 H GLU 57 10.325 -4.516 11.730 415 HA GLU 57 HA GLU 57 12.036 -5.851 9.991 416 HB2 GLU 57 2HB GLU 57 9.108 -5.187 9.668 417 HB3 GLU 57 1HB GLU 57 9.973 -6.324 8.649 418 HG2 GLU 57 2HG GLU 57 10.418 -7.738 10.576 419 HG3 GLU 57 1HG GLU 57 9.611 -6.561 11.614 420 H LEU 58 H LEU 58 10.097 -2.965 9.452 421 HA LEU 58 HA LEU 58 10.849 -2.452 6.798 422 HB2 LEU 58 2HB LEU 58 10.029 -0.531 8.970 423 HB3 LEU 58 1HB LEU 58 10.077 -0.158 7.257 424 HG LEU 58 HG LEU 58 8.294 -2.230 8.527 425 HD11 LEU 58 1HD1 LEU 58 7.645 0.005 9.196 426 HD12 LEU 58 2HD1 LEU 58 6.482 -0.658 8.045 427 HD13 LEU 58 3HD1 LEU 58 7.676 0.528 7.513 428 HD21 LEU 58 3HD2 LEU 58 8.420 -1.152 5.715 429 HD22 LEU 58 1HD2 LEU 58 7.187 -2.242 6.344 430 HD23 LEU 58 2HD2 LEU 58 8.858 -2.784 6.239 431 H LEU 59 H LEU 59 12.093 -1.068 9.823 432 HA LEU 59 HA LEU 59 14.134 0.455 8.652 433 HB2 LEU 59 2HB LEU 59 13.892 -0.653 11.438 434 HB3 LEU 59 1HB LEU 59 15.190 0.413 10.940 435 HG LEU 59 HG LEU 59 12.258 1.137 10.894 436 HD11 LEU 59 1HD1 LEU 59 13.091 0.896 13.177 437 HD12 LEU 59 2HD1 LEU 59 12.829 2.600 12.765 438 HD13 LEU 59 3HD1 LEU 59 14.460 1.941 12.787 439 HD21 LEU 59 3HD2 LEU 59 14.745 2.768 10.412 440 HD22 LEU 59 1HD2 LEU 59 13.103 3.402 10.518 441 HD23 LEU 59 2HD2 LEU 59 13.548 2.315 9.204 442 H ASN 60 H ASN 60 14.207 -2.859 9.863 443 HA ASN 60 HA ASN 60 16.966 -3.152 9.438 444 HB2 ASN 60 2HB ASN 60 14.814 -5.246 9.673 445 HB3 ASN 60 1HB ASN 60 16.531 -5.620 9.545 446 HD21 ASN 60 1HD2 ASN 60 14.583 -6.012 11.723 447 HD22 ASN 60 2HD2 ASN 60 15.302 -5.300 13.114 448 H GLN 61 H GLN 61 14.350 -3.340 7.093 449 HA GLN 61 HA GLN 61 15.946 -4.600 5.079 450 HB2 GLN 61 2HB GLN 61 13.669 -2.658 4.671 451 HB3 GLN 61 1HB GLN 61 14.284 -3.839 3.525 452 HG2 GLN 61 2HG GLN 61 13.508 -5.633 4.966 453 HG3 GLN 61 1HG GLN 61 12.876 -4.439 6.100 454 HE21 GLN 61 1HE2 GLN 61 11.504 -6.437 4.706 455 HE22 GLN 61 2HE2 GLN 61 10.251 -5.718 3.780 456 H GLN 62 H GLN 62 15.603 -1.347 6.407 457 HA GLN 62 HA GLN 62 16.266 0.548 6.020 458 HB2 GLN 62 2HB GLN 62 18.337 -0.670 6.650 459 HB3 GLN 62 1HB GLN 62 18.738 -0.726 4.933 460 HG2 GLN 62 2HG GLN 62 18.505 1.677 4.848 461 HG3 GLN 62 1HG GLN 62 18.178 1.562 6.592 462 HE21 GLN 62 1HE2 GLN 62 19.876 1.322 8.011 463 HE22 GLN 62 2HE2 GLN 62 21.546 1.280 7.541 464 H LYS 63 H LYS 63 14.688 1.026 4.456 465 HA LYS 63 HA LYS 63 15.634 1.070 1.732 466 HB2 LYS 63 2HB LYS 63 13.004 1.809 2.973 467 HB3 LYS 63 1HB LYS 63 13.345 1.830 1.243 468 HG2 LYS 63 2HG LYS 63 13.427 -0.553 3.052 469 HG3 LYS 63 1HG LYS 63 12.135 -0.150 1.916 470 HD2 LYS 63 2HD LYS 63 13.742 -0.349 0.056 471 HD3 LYS 63 1HD LYS 63 15.015 -0.720 1.214 472 HE2 LYS 63 2HE LYS 63 13.734 -2.727 1.898 473 HE3 LYS 63 1HE LYS 63 12.566 -2.355 0.630 474 HZ1 LYS 63 3HZ LYS 63 15.434 -2.967 0.246 475 HZ2 LYS 63 1HZ LYS 63 14.381 -2.555 -1.003 476 HZ3 LYS 63 2HZ LYS 63 14.171 -3.993 -0.133 477 H LYS 64 H LYS 64 15.272 3.048 0.535 478 HA LYS 64 HA LYS 64 15.966 5.384 2.174 479 HB2 LYS 64 2HB LYS 64 16.875 4.772 -0.625 480 HB3 LYS 64 1HB LYS 64 17.376 6.145 0.353 481 HG2 LYS 64 2HG LYS 64 18.043 3.237 0.817 482 HG3 LYS 64 1HG LYS 64 19.135 4.504 0.262 483 HD2 LYS 64 2HD LYS 64 18.911 5.652 2.407 484 HD3 LYS 64 1HD LYS 64 17.756 4.431 2.940 485 HE2 LYS 64 2HE LYS 64 19.939 3.958 3.888 486 HE3 LYS 64 1HE LYS 64 19.486 2.707 2.739 487 HZ1 LYS 64 3HZ LYS 64 21.347 4.956 2.222 488 HZ2 LYS 64 1HZ LYS 64 20.944 3.774 1.086 489 HZ3 LYS 64 2HZ LYS 64 21.785 3.367 2.489 490 H SER 65 H SER 65 15.566 7.385 0.855 491 HA SER 65 HA SER 65 12.853 7.654 0.257 492 HB2 SER 65 2HB SER 65 15.162 9.420 -0.595 493 HB3 SER 65 1HB SER 65 13.465 9.896 -0.539 494 HG SER 65 HG SER 65 14.532 8.858 1.848 495 H GLY 66 H GLY 66 11.697 7.109 -1.525 496 HA2 GLY 66 2HA GLY 66 11.287 7.116 -3.846 497 HA3 GLY 66 1HA GLY 66 13.019 7.090 -4.140 498 H GLU 67 H GLU 67 12.361 4.919 -1.723 499 HA GLU 67 HA GLU 67 12.069 2.740 -3.606 500 HB2 GLU 67 2HB GLU 67 13.785 2.797 -1.125 501 HB3 GLU 67 1HB GLU 67 13.472 1.363 -2.098 502 HG2 GLU 67 2HG GLU 67 14.460 2.530 -4.042 503 HG3 GLU 67 1HG GLU 67 14.869 3.867 -2.973 504 H VAL 68 H VAL 68 11.324 0.720 -2.493 505 HA VAL 68 HA VAL 68 9.154 1.510 -0.684 506 HB VAL 68 HB VAL 68 8.389 1.036 -3.013 507 HG11 VAL 68 1HG1 VAL 68 10.008 -0.646 -3.646 508 HG12 VAL 68 2HG1 VAL 68 8.362 -1.245 -3.880 509 HG13 VAL 68 3HG1 VAL 68 9.317 -1.775 -2.492 510 HG21 VAL 68 3HG2 VAL 68 6.559 -0.426 -2.454 511 HG22 VAL 68 1HG2 VAL 68 6.873 0.719 -1.145 512 HG23 VAL 68 2HG2 VAL 68 7.403 -0.959 -0.987 513 H ALA 69 H ALA 69 8.788 0.258 1.034 514 HA ALA 69 HA ALA 69 10.546 -2.040 1.495 515 HB1 ALA 69 1HB ALA 69 10.597 -0.285 3.226 516 HB2 ALA 69 2HB ALA 69 9.908 -1.770 3.868 517 HB3 ALA 69 3HB ALA 69 8.857 -0.428 3.443 518 H VAL 70 H VAL 70 9.600 -4.078 2.025 519 HA VAL 70 HA VAL 70 6.718 -4.210 1.460 520 HB VAL 70 HB VAL 70 8.765 -6.188 0.457 521 HG11 VAL 70 1HG1 VAL 70 5.836 -5.948 -0.151 522 HG12 VAL 70 2HG1 VAL 70 6.615 -7.193 0.833 523 HG13 VAL 70 3HG1 VAL 70 6.957 -7.089 -0.896 524 HG21 VAL 70 3HG2 VAL 70 7.332 -4.063 -1.159 525 HG22 VAL 70 1HG2 VAL 70 8.352 -5.337 -1.835 526 HG23 VAL 70 2HG2 VAL 70 9.059 -4.099 -0.795 527 H LEU 71 H LEU 71 5.651 -5.453 2.814 528 HA LEU 71 HA LEU 71 7.151 -7.339 4.522 529 HB2 LEU 71 2HB LEU 71 4.637 -5.829 5.282 530 HB3 LEU 71 1HB LEU 71 5.379 -7.072 6.245 531 HG LEU 71 HG LEU 71 6.531 -4.349 5.636 532 HD11 LEU 71 1HD1 LEU 71 6.336 -4.012 8.043 533 HD12 LEU 71 2HD1 LEU 71 5.626 -5.618 8.213 534 HD13 LEU 71 3HD1 LEU 71 4.770 -4.370 7.314 535 HD21 LEU 71 3HD2 LEU 71 8.335 -6.010 5.671 536 HD22 LEU 71 1HD2 LEU 71 7.754 -6.610 7.226 537 HD23 LEU 71 2HD2 LEU 71 8.396 -4.976 7.095 538 H LYS 72 H LYS 72 6.230 -9.304 4.923 539 HA LYS 72 HA LYS 72 4.358 -10.093 2.834 540 HB2 LYS 72 2HB LYS 72 6.443 -11.294 2.906 541 HB3 LYS 72 1HB LYS 72 6.160 -11.722 4.592 542 HG2 LYS 72 2HG LYS 72 5.750 -13.612 3.104 543 HG3 LYS 72 1HG LYS 72 4.268 -13.114 3.922 544 HD2 LYS 72 2HD LYS 72 3.549 -11.935 1.920 545 HD3 LYS 72 1HD LYS 72 5.063 -12.348 1.117 546 HE2 LYS 72 2HE LYS 72 3.007 -14.323 2.101 547 HE3 LYS 72 1HE LYS 72 3.196 -13.799 0.431 548 HZ1 LYS 72 3HZ LYS 72 5.434 -14.748 0.433 549 HZ2 LYS 72 1HZ LYS 72 4.275 -15.899 0.803 550 HZ3 LYS 72 2HZ LYS 72 5.236 -15.288 2.023 551 H ARG 73 H ARG 73 2.424 -10.843 3.220 552 HA ARG 73 HA ARG 73 1.638 -11.671 5.896 553 HB2 ARG 73 2HB ARG 73 0.883 -9.280 5.404 554 HB3 ARG 73 1HB ARG 73 0.006 -9.913 4.029 555 HG2 ARG 73 2HG ARG 73 -1.568 -9.552 5.777 556 HG3 ARG 73 1HG ARG 73 -1.351 -11.291 5.644 557 HD2 ARG 73 2HD ARG 73 -0.017 -9.503 7.693 558 HD3 ARG 73 1HD ARG 73 -1.434 -10.495 7.996 559 HE ARG 73 HE ARG 73 0.365 -12.330 7.222 560 HH11 ARG 73 1HH1 ARG 73 0.633 -9.697 9.577 561 HH12 ARG 73 2HH1 ARG 73 1.767 -10.525 10.538 562 HH21 ARG 73 1HH2 ARG 73 1.905 -13.430 8.551 563 HH22 ARG 73 2HH2 ARG 73 2.507 -12.676 9.948 564 H ASP 74 H ASP 74 -0.616 -12.932 5.464 565 HA ASP 74 HA ASP 74 -0.014 -14.761 3.397 566 HB2 ASP 74 2HB ASP 74 -2.074 -15.940 4.138 567 HB3 ASP 74 1HB ASP 74 -0.964 -15.632 5.459 568 H GLY 75 H GLY 75 -0.466 -14.516 1.411 569 HA2 GLY 75 2HA GLY 75 -1.857 -14.270 -0.455 570 HA3 GLY 75 1HA GLY 75 -3.059 -13.505 0.567 571 H ARG 76 H ARG 76 -1.253 -11.524 1.674 572 HA ARG 76 HA ARG 76 -0.962 -9.865 -0.716 573 HB2 ARG 76 2HB ARG 76 -1.534 -7.913 0.788 574 HB3 ARG 76 1HB ARG 76 -2.860 -8.950 0.268 575 HG2 ARG 76 2HG ARG 76 -3.012 -9.926 2.436 576 HG3 ARG 76 1HG ARG 76 -1.480 -9.204 2.933 577 HD2 ARG 76 2HD ARG 76 -3.524 -8.073 3.844 578 HD3 ARG 76 1HD ARG 76 -2.410 -7.027 2.967 579 HE ARG 76 HE ARG 76 -4.295 -7.881 1.136 580 HH11 ARG 76 1HH1 ARG 76 -4.520 -6.062 4.188 581 HH12 ARG 76 2HH1 ARG 76 -5.710 -4.983 3.606 582 HH21 ARG 76 1HH2 ARG 76 -5.889 -6.425 0.387 583 HH22 ARG 76 2HH2 ARG 76 -6.492 -5.163 1.375 584 H TYR 77 H TYR 77 0.498 -8.277 -0.750 585 HA TYR 77 HA TYR 77 2.657 -8.442 1.217 586 HB2 TYR 77 2HB TYR 77 2.681 -7.552 -1.680 587 HB3 TYR 77 1HB TYR 77 4.047 -7.368 -0.592 588 HD1 TYR 77 2HD TYR 77 1.976 -9.813 -2.423 589 HD2 TYR 77 1HD TYR 77 5.418 -9.224 0.002 590 HE1 TYR 77 2HE TYR 77 2.749 -12.091 -2.966 591 HE2 TYR 77 1HE TYR 77 6.191 -11.482 -0.531 592 HH TYR 77 HH TYR 77 4.842 -13.345 -3.013 593 H ILE 78 H ILE 78 3.248 -6.592 2.246 594 HA ILE 78 HA ILE 78 1.368 -4.370 1.914 595 HB ILE 78 HB ILE 78 3.424 -4.620 4.111 596 HG12 ILE 78 2HG1 ILE 78 2.053 -6.703 4.148 597 HG13 ILE 78 1HG1 ILE 78 1.756 -5.692 5.553 598 HG21 ILE 78 1HG2 ILE 78 0.751 -3.242 3.888 599 HG22 ILE 78 2HG2 ILE 78 2.334 -2.469 3.796 600 HG23 ILE 78 3HG2 ILE 78 1.796 -3.203 5.312 601 HD11 ILE 78 3HD1 ILE 78 -0.313 -4.918 4.546 602 HD12 ILE 78 1HD1 ILE 78 -0.267 -6.676 4.709 603 HD13 ILE 78 2HD1 ILE 78 0.002 -5.932 3.124 604 H TYR 79 H TYR 79 2.055 -2.616 0.869 605 HA TYR 79 HA TYR 79 4.911 -2.301 0.394 606 HB2 TYR 79 2HB TYR 79 2.535 -1.218 -1.095 607 HB3 TYR 79 1HB TYR 79 4.204 -0.776 -1.447 608 HD1 TYR 79 1HD TYR 79 1.717 -3.475 -1.537 609 HD2 TYR 79 2HD TYR 79 5.664 -2.283 -2.521 610 HE1 TYR 79 1HE TYR 79 1.947 -5.447 -2.945 611 HE2 TYR 79 2HE TYR 79 5.928 -4.237 -3.920 612 HH TYR 79 HH TYR 79 3.300 -6.291 -4.743 613 H TYR 80 H TYR 80 5.964 -0.846 1.334 614 HA TYR 80 HA TYR 80 4.589 1.486 2.430 615 HB2 TYR 80 2HB TYR 80 7.086 0.070 3.268 616 HB3 TYR 80 1HB TYR 80 6.569 1.595 3.968 617 HD1 TYR 80 2HD TYR 80 5.955 -2.003 3.751 618 HD2 TYR 80 1HD TYR 80 4.725 1.647 5.521 619 HE1 TYR 80 2HE TYR 80 4.667 -3.250 5.417 620 HE2 TYR 80 1HE TYR 80 3.425 0.411 7.197 621 HH TYR 80 HH TYR 80 3.775 -2.933 7.638 622 H LEU 81 H LEU 81 4.797 2.930 0.900 623 HA LEU 81 HA LEU 81 7.059 3.204 -0.852 624 HB2 LEU 81 2HB LEU 81 4.825 5.150 -0.255 625 HB3 LEU 81 1HB LEU 81 5.861 5.175 -1.648 626 HG LEU 81 HG LEU 81 3.766 3.107 -1.009 627 HD11 LEU 81 1HD1 LEU 81 2.833 5.209 -1.729 628 HD12 LEU 81 2HD1 LEU 81 2.638 3.986 -2.982 629 HD13 LEU 81 3HD1 LEU 81 3.888 5.218 -3.143 630 HD21 LEU 81 3HD2 LEU 81 5.568 3.282 -3.436 631 HD22 LEU 81 1HD2 LEU 81 4.264 2.129 -3.176 632 HD23 LEU 81 2HD2 LEU 81 5.685 2.093 -2.142 633 H ILE 82 H ILE 82 8.922 4.134 -0.214 634 HA ILE 82 HA ILE 82 8.903 5.815 2.192 635 HB ILE 82 HB ILE 82 11.234 4.826 0.550 636 HG12 ILE 82 2HG1 ILE 82 10.056 2.908 1.567 637 HG13 ILE 82 1HG1 ILE 82 11.631 3.174 2.298 638 HG21 ILE 82 1HG2 ILE 82 12.541 5.474 2.433 639 HG22 ILE 82 2HG2 ILE 82 11.068 6.001 3.302 640 HG23 ILE 82 3HG2 ILE 82 11.610 6.851 1.845 641 HD11 ILE 82 3HD1 ILE 82 10.531 4.255 4.213 642 HD12 ILE 82 1HD1 ILE 82 9.995 2.598 3.973 643 HD13 ILE 82 2HD1 ILE 82 8.962 3.934 3.475 644 H THR 83 H THR 83 8.373 7.741 1.838 645 HA THR 83 HA THR 83 9.145 9.054 -0.595 646 HB THR 83 HB THR 83 7.883 10.973 0.456 647 HG1 THR 83 1HG THR 83 6.814 10.621 2.362 648 HG21 THR 83 3HG2 THR 83 6.804 9.446 -1.130 649 HG22 THR 83 1HG2 THR 83 5.669 9.918 0.135 650 HG23 THR 83 2HG2 THR 83 6.433 8.326 0.183 651 H LYS 84 H LYS 84 9.577 9.632 2.875 652 HA LYS 84 HA LYS 84 12.119 10.980 2.253 653 HB2 LYS 84 2HB LYS 84 9.851 12.174 3.823 654 HB3 LYS 84 1HB LYS 84 11.475 12.832 3.803 655 HG2 LYS 84 2HG LYS 84 9.741 12.514 1.358 656 HG3 LYS 84 1HG LYS 84 9.852 14.004 2.284 657 HD2 LYS 84 2HD LYS 84 12.292 14.045 1.825 658 HD3 LYS 84 1HD LYS 84 12.100 12.604 0.824 659 HE2 LYS 84 2HE LYS 84 10.608 13.831 -0.659 660 HE3 LYS 84 1HE LYS 84 10.734 15.252 0.374 661 HZ1 LYS 84 3HZ LYS 84 12.969 13.992 -1.113 662 HZ2 LYS 84 1HZ LYS 84 13.111 15.328 -0.122 663 HZ3 LYS 84 2HZ LYS 84 12.217 15.432 -1.527 664 H LYS 85 H LYS 85 13.164 11.712 4.407 665 HA LYS 85 HA LYS 85 13.601 9.418 6.052 666 HB2 LYS 85 2HB LYS 85 14.319 12.279 6.703 667 HB3 LYS 85 1HB LYS 85 15.033 10.818 7.366 668 HG2 LYS 85 2HG LYS 85 15.951 10.306 5.115 669 HG3 LYS 85 1HG LYS 85 15.255 11.845 4.573 670 HD2 LYS 85 2HD LYS 85 16.581 13.035 6.242 671 HD3 LYS 85 1HD LYS 85 17.325 11.514 6.726 672 HE2 LYS 85 2HE LYS 85 18.224 11.237 4.461 673 HE3 LYS 85 1HE LYS 85 17.470 12.770 4.004 674 HZ1 LYS 85 3HZ LYS 85 18.842 13.871 5.677 675 HZ2 LYS 85 1HZ LYS 85 19.807 13.080 4.531 676 HZ3 LYS 85 2HZ LYS 85 19.567 12.428 6.067 677 H ARG 86 H ARG 86 11.718 12.379 6.362 678 HA ARG 86 HA ARG 86 10.746 11.426 8.969 679 HB2 ARG 86 2HB ARG 86 10.781 14.245 7.876 680 HB3 ARG 86 1HB ARG 86 10.186 13.769 9.451 681 HG2 ARG 86 2HG ARG 86 13.055 13.547 8.538 682 HG3 ARG 86 1HG ARG 86 12.401 14.849 9.529 683 HD2 ARG 86 2HD ARG 86 11.775 13.286 11.183 684 HD3 ARG 86 1HD ARG 86 12.438 11.935 10.241 685 HE ARG 86 HE ARG 86 14.289 14.078 10.803 686 HH11 ARG 86 1HH1 ARG 86 13.107 10.943 12.027 687 HH12 ARG 86 2HH1 ARG 86 14.473 10.653 12.986 688 HH21 ARG 86 1HH2 ARG 86 16.164 13.638 12.110 689 HH22 ARG 86 2HH2 ARG 86 16.257 12.212 13.023 690 H ALA 87 H ALA 87 8.525 11.165 9.153 691 HA ALA 87 HA ALA 87 7.019 11.117 6.737 692 HB1 ALA 87 1HB ALA 87 6.628 9.501 8.548 693 HB2 ALA 87 2HB ALA 87 5.157 10.377 8.138 694 HB3 ALA 87 3HB ALA 87 6.066 10.807 9.589 695 H SER 88 H SER 88 7.754 13.524 9.006 696 HA SER 88 HA SER 88 5.487 15.158 8.557 697 HB2 SER 88 2HB SER 88 6.999 16.735 9.876 698 HB3 SER 88 1HB SER 88 6.498 15.246 10.689 699 HG SER 88 HG SER 88 8.897 16.055 10.403 700 H HIS 89 H HIS 89 8.003 14.272 6.676 701 HA HIS 89 HA HIS 89 8.611 16.846 5.496 702 HB2 HIS 89 2HB HIS 89 9.558 14.052 4.940 703 HB3 HIS 89 1HB HIS 89 9.847 15.280 3.760 704 HD1 HIS 89 1HD HIS 89 12.385 14.643 4.213 705 HD2 HIS 89 2HD HIS 89 10.379 16.546 7.302 706 HE1 HIS 89 1HE HIS 89 14.155 15.311 5.764 707 HE2 HIS 89 2HE HIS 89 12.984 16.883 7.339 708 H LYS 90 H LYS 90 8.299 17.221 3.336 709 HA LYS 90 HA LYS 90 5.703 16.339 2.370 710 HB2 LYS 90 2HB LYS 90 5.948 18.022 0.615 711 HB3 LYS 90 1HB LYS 90 6.309 18.725 2.188 712 HG2 LYS 90 2HG LYS 90 8.678 18.661 1.739 713 HG3 LYS 90 1HG LYS 90 8.408 17.756 0.258 714 HD2 LYS 90 2HD LYS 90 8.884 20.090 -0.214 715 HD3 LYS 90 1HD LYS 90 7.249 19.668 -0.709 716 HE2 LYS 90 2HE LYS 90 6.352 20.711 1.288 717 HE3 LYS 90 1HE LYS 90 7.984 21.060 1.860 718 HZ1 LYS 90 3HZ LYS 90 6.834 22.172 -0.664 719 HZ2 LYS 90 1HZ LYS 90 8.326 22.499 0.025 720 HZ3 LYS 90 2HZ LYS 90 6.935 22.991 0.812 721 HA PRO 91 HA PRO 91 7.659 13.610 -0.601 722 HB2 PRO 91 2HB PRO 91 5.433 12.762 -1.862 723 HB3 PRO 91 1HB PRO 91 5.845 12.202 -0.238 724 HG2 PRO 91 2HG PRO 91 3.801 14.179 -1.095 725 HG3 PRO 91 1HG PRO 91 3.780 13.061 0.276 726 HD2 PRO 91 2HD PRO 91 4.401 15.799 0.379 727 HD3 PRO 91 1HD PRO 91 4.704 14.602 1.654 728 H THR 92 H THR 92 8.048 13.642 -2.916 729 HA THR 92 HA THR 92 7.028 16.009 -4.238 730 HB THR 92 HB THR 92 9.196 15.532 -5.674 731 HG1 THR 92 1HG THR 92 10.809 14.542 -4.539 732 HG21 THR 92 3HG2 THR 92 10.548 16.924 -4.181 733 HG22 THR 92 1HG2 THR 92 9.428 16.604 -2.855 734 HG23 THR 92 2HG2 THR 92 8.898 17.542 -4.255 735 H TYR 93 H TYR 93 6.568 15.716 -6.545 736 HA TYR 93 HA TYR 93 5.097 13.381 -7.053 737 HB2 TYR 93 2HB TYR 93 6.229 15.326 -9.080 738 HB3 TYR 93 1HB TYR 93 5.016 14.109 -9.414 739 HD1 TYR 93 2HD TYR 93 3.027 14.335 -7.400 740 HD2 TYR 93 1HD TYR 93 5.367 17.430 -9.146 741 HE1 TYR 93 2HE TYR 93 1.252 15.952 -6.897 742 HE2 TYR 93 1HE TYR 93 3.606 19.051 -8.648 743 HH TYR 93 HH TYR 93 1.033 18.479 -6.574 744 H GLU 94 H GLU 94 8.293 14.405 -8.019 745 HA GLU 94 HA GLU 94 9.129 12.397 -9.719 746 HB2 GLU 94 2HB GLU 94 10.287 14.497 -9.238 747 HB3 GLU 94 1HB GLU 94 10.611 13.950 -7.607 748 HG2 GLU 94 2HG GLU 94 11.959 12.120 -8.563 749 HG3 GLU 94 1HG GLU 94 11.715 12.848 -10.159 750 H ASN 95 H ASN 95 9.402 12.649 -6.226 751 HA ASN 95 HA ASN 95 10.737 10.199 -5.778 752 HB2 ASN 95 2HB ASN 95 10.752 12.224 -4.344 753 HB3 ASN 95 1HB ASN 95 9.097 11.928 -3.951 754 HD21 ASN 95 1HD2 ASN 95 11.510 12.079 -2.382 755 HD22 ASN 95 2HD2 ASN 95 11.513 10.652 -1.391 756 H LEU 96 H LEU 96 7.350 11.260 -5.486 757 HA LEU 96 HA LEU 96 6.298 8.880 -4.535 758 HB2 LEU 96 2HB LEU 96 5.077 11.016 -4.613 759 HB3 LEU 96 1HB LEU 96 4.978 10.889 -6.357 760 HG LEU 96 HG LEU 96 3.580 8.862 -6.117 761 HD11 LEU 96 1HD1 LEU 96 4.388 8.084 -3.953 762 HD12 LEU 96 2HD1 LEU 96 2.641 8.300 -3.928 763 HD13 LEU 96 3HD1 LEU 96 3.689 9.499 -3.169 764 HD21 LEU 96 3HD2 LEU 96 2.560 11.055 -6.372 765 HD22 LEU 96 1HD2 LEU 96 2.599 11.280 -4.624 766 HD23 LEU 96 2HD2 LEU 96 1.578 10.021 -5.320 767 H GLN 97 H GLN 97 6.866 9.912 -7.931 768 HA GLN 97 HA GLN 97 5.736 7.740 -9.229 769 HB2 GLN 97 2HB GLN 97 8.260 9.226 -9.919 770 HB3 GLN 97 1HB GLN 97 7.375 8.160 -10.992 771 HG2 GLN 97 2HG GLN 97 5.463 9.647 -10.890 772 HG3 GLN 97 1HG GLN 97 6.382 10.676 -9.779 773 HE21 GLN 97 1HE2 GLN 97 5.274 11.229 -12.448 774 HE22 GLN 97 2HE2 GLN 97 6.623 11.772 -13.386 775 H LYS 98 H LYS 98 8.962 8.216 -8.003 776 HA LYS 98 HA LYS 98 10.129 5.801 -8.753 777 HB2 LYS 98 2HB LYS 98 10.718 7.423 -6.284 778 HB3 LYS 98 1HB LYS 98 11.716 6.103 -6.855 779 HG2 LYS 98 2HG LYS 98 12.097 7.373 -8.950 780 HG3 LYS 98 1HG LYS 98 11.186 8.715 -8.248 781 HD2 LYS 98 2HD LYS 98 12.769 8.845 -6.401 782 HD3 LYS 98 1HD LYS 98 13.671 7.483 -7.061 783 HE2 LYS 98 2HE LYS 98 14.117 8.814 -9.091 784 HE3 LYS 98 1HE LYS 98 13.274 10.175 -8.354 785 HZ1 LYS 98 3HZ LYS 98 15.647 10.392 -8.050 786 HZ2 LYS 98 1HZ LYS 98 15.744 8.879 -7.336 787 HZ3 LYS 98 2HZ LYS 98 14.929 10.119 -6.547 788 H SER 99 H SER 99 8.292 6.487 -5.804 789 HA SER 99 HA SER 99 8.704 3.904 -4.692 790 HB2 SER 99 2HB SER 99 6.982 4.507 -3.076 791 HB3 SER 99 1HB SER 99 8.106 5.816 -3.309 792 HG SER 99 HG SER 99 6.356 6.540 -4.964 793 H LEU 100 H LEU 100 6.021 5.182 -6.695 794 HA LEU 100 HA LEU 100 4.469 2.755 -6.863 795 HB2 LEU 100 2HB LEU 100 4.818 5.163 -8.724 796 HB3 LEU 100 1HB LEU 100 3.755 3.845 -9.099 797 HG LEU 100 HG LEU 100 2.802 6.050 -8.225 798 HD11 LEU 100 1HD1 LEU 100 0.994 4.853 -7.023 799 HD12 LEU 100 2HD1 LEU 100 1.994 3.412 -7.051 800 HD13 LEU 100 3HD1 LEU 100 1.429 4.113 -8.567 801 HD21 LEU 100 3HD2 LEU 100 2.489 6.175 -5.792 802 HD22 LEU 100 1HD2 LEU 100 4.186 6.334 -6.251 803 HD23 LEU 100 2HD2 LEU 100 3.588 4.811 -5.591 804 H GLU 101 H GLU 101 7.041 4.060 -8.937 805 HA GLU 101 HA GLU 101 7.260 1.986 -10.845 806 HB2 GLU 101 2HB GLU 101 9.339 3.721 -9.521 807 HB3 GLU 101 1HB GLU 101 9.676 2.655 -10.876 808 HG2 GLU 101 2HG GLU 101 7.595 4.783 -10.951 809 HG3 GLU 101 1HG GLU 101 9.281 5.055 -11.391 810 H ALA 102 H ALA 102 8.927 2.354 -7.829 811 HA ALA 102 HA ALA 102 10.299 -0.069 -7.808 812 HB1 ALA 102 1HB ALA 102 10.672 1.789 -6.185 813 HB2 ALA 102 2HB ALA 102 10.549 0.194 -5.432 814 HB3 ALA 102 3HB ALA 102 9.184 1.286 -5.363 815 H MET 103 H MET 103 7.013 0.638 -6.480 816 HA MET 103 HA MET 103 6.812 -2.052 -5.684 817 HB2 MET 103 2HB MET 103 4.399 -1.482 -5.147 818 HB3 MET 103 1HB MET 103 5.619 -0.475 -4.322 819 HG2 MET 103 2HG MET 103 4.997 1.226 -5.775 820 HG3 MET 103 1HG MET 103 3.916 0.125 -6.664 821 HE1 MET 103 3HE MET 103 3.036 2.733 -5.412 822 HE2 MET 103 1HE MET 103 1.473 2.375 -4.626 823 HE3 MET 103 2HE MET 103 1.887 1.659 -6.207 824 H LYS 104 H LYS 104 5.623 -0.330 -8.547 825 HA LYS 104 HA LYS 104 3.875 -2.348 -9.369 826 HB2 LYS 104 2HB LYS 104 3.780 -1.235 -11.481 827 HB3 LYS 104 1HB LYS 104 3.806 -0.038 -10.215 828 HG2 LYS 104 2HG LYS 104 5.098 0.870 -11.855 829 HG3 LYS 104 1HG LYS 104 6.303 0.181 -10.769 830 HD2 LYS 104 2HD LYS 104 6.539 -1.756 -12.248 831 HD3 LYS 104 1HD LYS 104 5.265 -1.106 -13.287 832 HE2 LYS 104 2HE LYS 104 7.539 -0.703 -14.199 833 HE3 LYS 104 1HE LYS 104 6.670 0.793 -13.869 834 HZ1 LYS 104 3HZ LYS 104 7.950 1.170 -12.075 835 HZ2 LYS 104 1HZ LYS 104 9.028 0.703 -13.236 836 HZ3 LYS 104 2HZ LYS 104 8.648 -0.387 -11.993 837 H SER 105 H SER 105 7.326 -1.938 -9.836 838 HA SER 105 HA SER 105 7.618 -4.046 -11.686 839 HB2 SER 105 2HB SER 105 9.615 -2.881 -9.730 840 HB3 SER 105 1HB SER 105 10.008 -3.888 -11.126 841 HG SER 105 HG SER 105 10.283 -1.741 -11.620 842 H HIS 106 H HIS 106 7.639 -3.811 -8.189 843 HA HIS 106 HA HIS 106 8.533 -6.488 -7.675 844 HB2 HIS 106 2HB HIS 106 8.744 -4.703 -5.990 845 HB3 HIS 106 1HB HIS 106 6.989 -4.621 -5.885 846 HD1 HIS 106 1HD HIS 106 6.042 -5.968 -4.021 847 HD2 HIS 106 2HD HIS 106 9.468 -7.566 -5.606 848 HE1 HIS 106 1HE HIS 106 6.482 -7.886 -2.604 849 HE2 HIS 106 2HE HIS 106 8.819 -8.623 -3.259 850 H CYS 107 H CYS 107 5.294 -5.026 -7.712 851 HA CYS 107 HA CYS 107 4.070 -7.377 -6.940 852 HB2 CYS 107 2HB CYS 107 1.965 -6.305 -8.017 853 HB3 CYS 107 1HB CYS 107 2.733 -5.489 -6.658 854 HG CYS 107 HG CYS 107 3.714 -4.512 -9.738 855 H LEU 108 H LEU 108 5.101 -6.382 -10.114 856 HA LEU 108 HA LEU 108 3.841 -8.349 -11.650 857 HB2 LEU 108 2HB LEU 108 6.605 -7.202 -11.925 858 HB3 LEU 108 1HB LEU 108 5.739 -8.092 -13.154 859 HG LEU 108 HG LEU 108 4.984 -5.409 -12.046 860 HD11 LEU 108 1HD1 LEU 108 6.103 -6.245 -14.711 861 HD12 LEU 108 2HD1 LEU 108 6.961 -5.381 -13.434 862 HD13 LEU 108 3HD1 LEU 108 5.609 -4.605 -14.264 863 HD21 LEU 108 3HD2 LEU 108 3.068 -6.722 -12.623 864 HD22 LEU 108 1HD2 LEU 108 3.748 -7.090 -14.210 865 HD23 LEU 108 2HD2 LEU 108 3.282 -5.424 -13.811 866 H LYS 109 H LYS 109 6.837 -8.384 -9.727 867 HA LYS 109 HA LYS 109 7.689 -10.924 -10.750 868 HB2 LYS 109 2HB LYS 109 8.684 -9.311 -8.416 869 HB3 LYS 109 1HB LYS 109 9.544 -10.616 -9.241 870 HG2 LYS 109 2HG LYS 109 9.469 -9.370 -11.284 871 HG3 LYS 109 1HG LYS 109 8.646 -8.061 -10.489 872 HD2 LYS 109 2HD LYS 109 10.565 -7.733 -8.970 873 HD3 LYS 109 1HD LYS 109 11.453 -8.988 -9.836 874 HE2 LYS 109 2HE LYS 109 11.300 -7.689 -11.900 875 HE3 LYS 109 1HE LYS 109 10.373 -6.456 -11.059 876 HZ1 LYS 109 3HZ LYS 109 13.181 -7.200 -10.435 877 HZ2 LYS 109 1HZ LYS 109 12.271 -6.025 -9.661 878 HZ3 LYS 109 2HZ LYS 109 12.683 -5.829 -11.281 879 H ASN 110 H ASN 110 5.642 -9.902 -8.435 880 HA ASN 110 HA ASN 110 5.823 -12.461 -6.957 881 HB2 ASN 110 2HB ASN 110 4.612 -9.865 -5.997 882 HB3 ASN 110 1HB ASN 110 4.439 -11.382 -5.135 883 HD21 ASN 110 1HD2 ASN 110 7.350 -10.286 -6.799 884 HD22 ASN 110 2HD2 ASN 110 8.320 -10.127 -5.382 885 H GLY 111 H GLY 111 4.107 -11.199 -9.377 886 HA2 GLY 111 2HA GLY 111 2.192 -11.912 -10.420 887 HA3 GLY 111 1HA GLY 111 2.113 -13.217 -9.241 888 H VAL 112 H VAL 112 2.064 -9.747 -8.673 889 HA VAL 112 HA VAL 112 -0.520 -10.103 -7.378 890 HB VAL 112 HB VAL 112 1.590 -7.965 -6.940 891 HG11 VAL 112 1HG1 VAL 112 -0.658 -7.056 -6.640 892 HG12 VAL 112 2HG1 VAL 112 0.178 -7.190 -5.092 893 HG13 VAL 112 3HG1 VAL 112 -1.051 -8.374 -5.535 894 HG21 VAL 112 3HG2 VAL 112 1.814 -8.976 -4.711 895 HG22 VAL 112 1HG2 VAL 112 2.212 -10.116 -6.001 896 HG23 VAL 112 2HG2 VAL 112 0.652 -10.221 -5.185 897 H THR 113 H THR 113 -2.132 -9.404 -8.478 898 HA THR 113 HA THR 113 -1.863 -7.026 -10.215 899 HB THR 113 HB THR 113 -2.034 -9.084 -11.597 900 HG1 THR 113 1HG THR 113 -3.005 -7.341 -12.535 901 HG21 THR 113 3HG2 THR 113 -3.220 -10.534 -10.038 902 HG22 THR 113 1HG2 THR 113 -4.107 -10.445 -11.560 903 HG23 THR 113 2HG2 THR 113 -4.659 -9.525 -10.160 904 H ASP 114 H ASP 114 -2.978 -7.972 -7.392 905 HA ASP 114 HA ASP 114 -5.418 -6.316 -7.563 906 HB2 ASP 114 2HB ASP 114 -4.799 -8.591 -5.648 907 HB3 ASP 114 1HB ASP 114 -6.240 -7.584 -5.598 908 H LEU 115 H LEU 115 -5.105 -4.405 -6.452 909 HA LEU 115 HA LEU 115 -3.299 -4.481 -4.162 910 HB2 LEU 115 2HB LEU 115 -2.132 -3.892 -6.342 911 HB3 LEU 115 1HB LEU 115 -3.073 -2.418 -6.328 912 HG LEU 115 HG LEU 115 -2.085 -2.028 -4.035 913 HD11 LEU 115 1HD1 LEU 115 -1.303 -4.105 -3.497 914 HD12 LEU 115 2HD1 LEU 115 0.091 -3.042 -3.622 915 HD13 LEU 115 3HD1 LEU 115 -0.256 -4.196 -4.922 916 HD21 LEU 115 3HD2 LEU 115 -0.285 -1.991 -6.460 917 HD22 LEU 115 1HD2 LEU 115 -0.017 -1.043 -4.994 918 HD23 LEU 115 2HD2 LEU 115 -1.427 -0.724 -6.003 919 H SER 116 H SER 116 -3.873 -2.839 -2.489 920 HA SER 116 HA SER 116 -6.022 -1.085 -3.266 921 HB2 SER 116 2HB SER 116 -7.050 -1.539 -1.011 922 HB3 SER 116 1HB SER 116 -7.102 -2.912 -2.110 923 HG SER 116 HG SER 116 -4.996 -3.468 -0.968 924 H MET 117 H MET 117 -5.895 0.930 -2.386 925 HA MET 117 HA MET 117 -3.881 1.449 -0.375 926 HB2 MET 117 2HB MET 117 -2.762 3.194 -1.711 927 HB3 MET 117 1HB MET 117 -2.634 1.625 -2.482 928 HG2 MET 117 2HG MET 117 -4.517 2.307 -3.992 929 HG3 MET 117 1HG MET 117 -4.429 3.895 -3.224 930 HE1 MET 117 3HE MET 117 -0.975 2.103 -5.691 931 HE2 MET 117 1HE MET 117 -2.452 1.221 -5.325 932 HE3 MET 117 2HE MET 117 -1.305 1.607 -4.037 933 HA PRO 118 HA PRO 118 -6.951 4.510 0.621 934 HB2 PRO 118 2HB PRO 118 -5.665 5.940 2.449 935 HB3 PRO 118 1HB PRO 118 -5.934 4.217 2.722 936 HG2 PRO 118 2HG PRO 118 -3.445 5.628 1.871 937 HG3 PRO 118 1HG PRO 118 -3.641 4.244 2.960 938 HD2 PRO 118 2HD PRO 118 -2.946 4.122 0.248 939 HD3 PRO 118 1HD PRO 118 -3.491 2.767 1.249 940 H ARG 119 H ARG 119 -6.419 7.178 1.369 941 HA ARG 119 HA ARG 119 -6.016 8.337 -1.220 942 HB2 ARG 119 2HB ARG 119 -7.743 9.246 0.340 943 HB3 ARG 119 1HB ARG 119 -6.455 9.733 1.435 944 HG2 ARG 119 2HG ARG 119 -5.543 11.167 -0.370 945 HG3 ARG 119 1HG ARG 119 -6.953 10.771 -1.341 946 HD2 ARG 119 2HD ARG 119 -6.970 12.177 1.337 947 HD3 ARG 119 1HD ARG 119 -7.214 12.939 -0.226 948 HE ARG 119 HE ARG 119 -9.061 11.150 1.178 949 HH11 ARG 119 1HH1 ARG 119 -8.443 13.492 -1.451 950 HH12 ARG 119 2HH1 ARG 119 -10.073 13.712 -1.825 951 HH21 ARG 119 1HH2 ARG 119 -11.339 11.516 0.670 952 HH22 ARG 119 2HH2 ARG 119 -11.762 12.560 -0.605 953 H ILE 120 H ILE 120 -3.882 7.840 -1.627 954 HA ILE 120 HA ILE 120 -1.813 8.879 0.083 955 HB ILE 120 HB ILE 120 -0.248 8.000 -1.712 956 HG12 ILE 120 2HG1 ILE 120 -2.830 6.938 -2.888 957 HG13 ILE 120 1HG1 ILE 120 -1.810 8.173 -3.619 958 HG21 ILE 120 1HG2 ILE 120 -0.816 6.655 0.248 959 HG22 ILE 120 2HG2 ILE 120 -0.649 5.635 -1.187 960 HG23 ILE 120 3HG2 ILE 120 -2.251 6.044 -0.588 961 HD11 ILE 120 3HD1 ILE 120 -1.596 6.001 -4.648 962 HD12 ILE 120 1HD1 ILE 120 -1.123 5.293 -3.136 963 HD13 ILE 120 2HD1 ILE 120 -0.045 6.475 -3.903 964 H GLY 121 H GLY 121 -0.917 10.808 -0.061 965 HA2 GLY 121 2HA GLY 121 -0.365 12.901 -0.971 966 HA3 GLY 121 1HA GLY 121 -0.997 12.351 -2.530 967 H CYS 122 H CYS 122 -2.302 12.666 0.697 968 HA CYS 122 HA CYS 122 -4.973 13.070 0.016 969 HB2 CYS 122 2HB CYS 122 -5.121 13.592 2.472 970 HB3 CYS 122 1HB CYS 122 -4.413 12.040 2.028 971 HG CYS 122 HG CYS 122 -3.195 14.151 4.061 972 H GLY 123 H GLY 123 -3.154 15.274 -1.072 973 HA2 GLY 123 2HA GLY 123 -3.459 17.556 -1.466 974 HA3 GLY 123 1HA GLY 123 -4.904 17.468 -0.454 975 H LEU 124 H LEU 124 -1.592 16.691 0.224 976 HA LEU 124 HA LEU 124 -1.640 17.822 2.816 977 HB2 LEU 124 2HB LEU 124 -0.201 15.939 2.146 978 HB3 LEU 124 1HB LEU 124 0.698 17.006 1.093 979 HG LEU 124 HG LEU 124 1.417 18.291 3.089 980 HD11 LEU 124 1HD1 LEU 124 -0.390 17.726 4.611 981 HD12 LEU 124 2HD1 LEU 124 1.165 17.271 5.305 982 HD13 LEU 124 3HD1 LEU 124 0.116 16.037 4.612 983 HD21 LEU 124 3HD2 LEU 124 2.845 16.592 2.092 984 HD22 LEU 124 1HD2 LEU 124 2.094 15.352 3.093 985 HD23 LEU 124 2HD2 LEU 124 3.047 16.639 3.840 986 H ASP 125 H ASP 125 -0.292 18.874 -0.278 987 HA ASP 125 HA ASP 125 -0.564 21.612 0.298 988 HB2 ASP 125 2HB ASP 125 1.409 21.266 1.741 989 HB3 ASP 125 1HB ASP 125 2.292 20.576 0.390 990 H ARG 126 H ARG 126 2.134 20.188 -1.461 991 HA ARG 126 HA ARG 126 1.171 21.374 -3.890 992 HB2 ARG 126 2HB ARG 126 3.584 19.656 -3.346 993 HB3 ARG 126 1HB ARG 126 3.191 20.291 -4.934 994 HG2 ARG 126 2HG ARG 126 3.694 21.978 -2.489 995 HG3 ARG 126 1HG ARG 126 4.890 21.628 -3.739 996 HD2 ARG 126 2HD ARG 126 3.497 22.730 -5.407 997 HD3 ARG 126 1HD ARG 126 2.250 23.032 -4.201 998 HE ARG 126 HE ARG 126 4.337 24.194 -3.089 999 HH11 ARG 126 1HH1 ARG 126 3.149 24.446 -6.447 1000 HH12 ARG 126 2HH1 ARG 126 3.629 26.061 -6.630 1001 HH21 ARG 126 1HH2 ARG 126 4.952 26.451 -3.365 1002 HH22 ARG 126 2HH2 ARG 126 4.663 27.238 -4.839 1003 H LEU 127 H LEU 127 1.350 18.119 -2.605 1004 HA LEU 127 HA LEU 127 0.370 17.107 -5.096 1005 HB2 LEU 127 2HB LEU 127 0.845 15.659 -2.516 1006 HB3 LEU 127 1HB LEU 127 0.201 14.897 -3.945 1007 HG LEU 127 HG LEU 127 2.328 15.568 -5.118 1008 HD11 LEU 127 1HD1 LEU 127 3.076 17.286 -3.669 1009 HD12 LEU 127 2HD1 LEU 127 4.285 16.006 -3.769 1010 HD13 LEU 127 3HD1 LEU 127 3.256 16.142 -2.336 1011 HD21 LEU 127 3HD2 LEU 127 3.589 13.693 -4.207 1012 HD22 LEU 127 1HD2 LEU 127 1.871 13.336 -4.417 1013 HD23 LEU 127 2HD2 LEU 127 2.503 13.658 -2.805 1014 H GLN 128 H GLN 128 -1.487 16.371 -5.595 1015 HA GLN 128 HA GLN 128 -3.734 16.668 -3.813 1016 HB2 GLN 128 2HB GLN 128 -3.462 18.726 -5.153 1017 HB3 GLN 128 1HB GLN 128 -3.380 17.753 -6.614 1018 HG2 GLN 128 2HG GLN 128 -5.525 16.927 -6.184 1019 HG3 GLN 128 1HG GLN 128 -5.698 17.968 -4.762 1020 HE21 GLN 128 1HE2 GLN 128 -5.731 20.264 -5.124 1021 HE22 GLN 128 2HE2 GLN 128 -6.204 20.910 -6.644 1022 H TRP 129 H TRP 129 -5.409 15.156 -4.546 1023 HA TRP 129 HA TRP 129 -4.338 12.753 -5.407 1024 HB2 TRP 129 2HB TRP 129 -6.386 12.814 -4.056 1025 HB3 TRP 129 1HB TRP 129 -7.275 13.502 -5.420 1026 HD1 TRP 129 HD TRP 129 -8.184 11.845 -7.218 1027 HE1 TRP 129 1HE TRP 129 -7.992 9.318 -7.599 1028 HE3 TRP 129 3HE TRP 129 -4.749 10.782 -3.623 1029 HZ2 TRP 129 2HZ TRP 129 -6.533 7.130 -6.481 1030 HZ3 TRP 129 3HZ TRP 129 -4.016 8.476 -3.340 1031 HH2 TRP 129 HH TRP 129 -4.892 6.683 -4.736 1032 H GLU 130 H GLU 130 -6.027 15.167 -7.309 1033 HA GLU 130 HA GLU 130 -6.513 13.843 -9.666 1034 HB2 GLU 130 2HB GLU 130 -7.119 16.193 -9.161 1035 HB3 GLU 130 1HB GLU 130 -5.438 16.655 -9.373 1036 HG2 GLU 130 2HG GLU 130 -6.673 17.223 -11.341 1037 HG3 GLU 130 1HG GLU 130 -5.575 15.894 -11.714 1038 H ASN 131 H ASN 131 -3.491 15.295 -8.607 1039 HA ASN 131 HA ASN 131 -2.046 14.694 -11.023 1040 HB2 ASN 131 2HB ASN 131 -0.984 15.515 -8.300 1041 HB3 ASN 131 1HB ASN 131 -0.017 15.396 -9.757 1042 HD21 ASN 131 1HD2 ASN 131 -2.405 17.245 -8.044 1043 HD22 ASN 131 2HD2 ASN 131 -2.343 18.630 -9.057 1044 H VAL 132 H VAL 132 -2.541 13.160 -7.946 1045 HA VAL 132 HA VAL 132 -0.429 11.262 -8.185 1046 HB VAL 132 HB VAL 132 -2.906 11.176 -6.437 1047 HG11 VAL 132 1HG1 VAL 132 -1.921 8.976 -6.653 1048 HG12 VAL 132 2HG1 VAL 132 -1.625 9.624 -5.040 1049 HG13 VAL 132 3HG1 VAL 132 -0.331 9.617 -6.242 1050 HG21 VAL 132 3HG2 VAL 132 -1.440 12.015 -4.659 1051 HG22 VAL 132 1HG2 VAL 132 -1.562 13.157 -5.998 1052 HG23 VAL 132 2HG2 VAL 132 -0.121 12.158 -5.822 1053 H SER 133 H SER 133 -3.941 11.106 -8.658 1054 HA SER 133 HA SER 133 -4.205 8.435 -9.339 1055 HB2 SER 133 2HB SER 133 -6.091 9.966 -8.864 1056 HB3 SER 133 1HB SER 133 -5.770 10.823 -10.364 1057 HG SER 133 HG SER 133 -7.369 8.811 -10.043 1058 H ALA 134 H ALA 134 -3.562 11.222 -11.442 1059 HA ALA 134 HA ALA 134 -3.476 9.819 -13.877 1060 HB1 ALA 134 1HB ALA 134 -3.654 12.269 -13.758 1061 HB2 ALA 134 2HB ALA 134 -2.290 11.772 -14.761 1062 HB3 ALA 134 3HB ALA 134 -2.013 12.346 -13.116 1063 H MET 135 H MET 135 -0.931 10.734 -11.651 1064 HA MET 135 HA MET 135 1.326 9.736 -12.914 1065 HB2 MET 135 2HB MET 135 1.405 11.093 -10.898 1066 HB3 MET 135 1HB MET 135 0.674 9.797 -9.972 1067 HG2 MET 135 2HG MET 135 2.652 8.392 -10.449 1068 HG3 MET 135 1HG MET 135 3.384 9.769 -11.270 1069 HE1 MET 135 3HE MET 135 3.739 12.320 -8.307 1070 HE2 MET 135 1HE MET 135 2.330 12.167 -9.350 1071 HE3 MET 135 2HE MET 135 3.955 12.067 -10.038 1072 H ILE 136 H ILE 136 -0.877 8.102 -10.678 1073 HA ILE 136 HA ILE 136 0.453 5.627 -10.605 1074 HB ILE 136 HB ILE 136 -2.484 6.262 -10.207 1075 HG12 ILE 136 2HG1 ILE 136 -0.231 5.867 -8.239 1076 HG13 ILE 136 1HG1 ILE 136 -0.954 7.403 -8.671 1077 HG21 ILE 136 1HG2 ILE 136 -2.658 4.118 -9.023 1078 HG22 ILE 136 2HG2 ILE 136 -0.989 3.736 -9.426 1079 HG23 ILE 136 3HG2 ILE 136 -2.198 3.859 -10.704 1080 HD11 ILE 136 3HD1 ILE 136 -2.343 5.133 -7.254 1081 HD12 ILE 136 1HD1 ILE 136 -3.088 6.671 -7.704 1082 HD13 ILE 136 2HD1 ILE 136 -1.772 6.639 -6.532 1083 H GLU 137 H GLU 137 -2.091 6.860 -12.711 1084 HA GLU 137 HA GLU 137 -2.301 4.484 -14.199 1085 HB2 GLU 137 2HB GLU 137 -3.139 7.288 -14.856 1086 HB3 GLU 137 1HB GLU 137 -3.421 5.924 -15.925 1087 HG2 GLU 137 2HG GLU 137 -4.676 4.828 -14.104 1088 HG3 GLU 137 1HG GLU 137 -4.482 6.295 -13.148 1089 H GLU 138 H GLU 138 -0.174 7.221 -14.456 1090 HA GLU 138 HA GLU 138 0.781 6.584 -17.065 1091 HB2 GLU 138 2HB GLU 138 2.259 8.035 -14.862 1092 HB3 GLU 138 1HB GLU 138 2.673 8.043 -16.565 1093 HG2 GLU 138 2HG GLU 138 0.466 9.176 -16.997 1094 HG3 GLU 138 1HG GLU 138 0.280 9.278 -15.239 1095 H VAL 139 H VAL 139 1.990 5.918 -13.827 1096 HA VAL 139 HA VAL 139 4.255 4.420 -14.564 1097 HB VAL 139 HB VAL 139 2.618 4.356 -12.004 1098 HG11 VAL 139 1HG1 VAL 139 3.926 2.328 -12.225 1099 HG12 VAL 139 2HG1 VAL 139 4.581 3.356 -10.948 1100 HG13 VAL 139 3HG1 VAL 139 5.384 3.281 -12.515 1101 HG21 VAL 139 3HG2 VAL 139 4.390 5.796 -11.115 1102 HG22 VAL 139 1HG2 VAL 139 3.587 6.536 -12.502 1103 HG23 VAL 139 2HG2 VAL 139 5.178 5.799 -12.692 1104 H PHE 140 H PHE 140 1.065 3.325 -13.495 1105 HA PHE 140 HA PHE 140 1.630 0.609 -14.034 1106 HB2 PHE 140 2HB PHE 140 -0.824 1.998 -13.105 1107 HB3 PHE 140 1HB PHE 140 -0.908 0.341 -13.686 1108 HD1 PHE 140 2HD PHE 140 0.524 -1.429 -12.537 1109 HD2 PHE 140 1HD PHE 140 -0.106 2.473 -10.916 1110 HE1 PHE 140 2HE PHE 140 1.068 -2.255 -10.335 1111 HE2 PHE 140 1HE PHE 140 0.483 1.588 -8.680 1112 HZ PHE 140 HZ PHE 140 1.049 -0.880 -8.469 1113 H GLU 141 H GLU 141 0.796 3.005 -16.189 1114 HA GLU 141 HA GLU 141 -1.114 2.038 -17.837 1115 HB2 GLU 141 2HB GLU 141 0.073 4.202 -17.989 1116 HB3 GLU 141 1HB GLU 141 1.447 3.360 -18.682 1117 HG2 GLU 141 2HG GLU 141 0.135 2.676 -20.529 1118 HG3 GLU 141 1HG GLU 141 -1.294 3.462 -19.837 1119 H ALA 142 H ALA 142 2.120 0.835 -17.590 1120 HA ALA 142 HA ALA 142 1.728 -0.943 -19.913 1121 HB1 ALA 142 1HB ALA 142 4.126 -1.342 -19.855 1122 HB2 ALA 142 2HB ALA 142 4.263 -0.391 -18.375 1123 HB3 ALA 142 3HB ALA 142 3.787 0.388 -19.882 1124 H THR 143 H THR 143 0.927 -1.196 -16.814 1125 HA THR 143 HA THR 143 1.583 -4.060 -16.657 1126 HB THR 143 HB THR 143 1.842 -3.747 -14.167 1127 HG1 THR 143 1HG THR 143 0.844 -1.547 -14.467 1128 HG21 THR 143 3HG2 THR 143 3.816 -2.239 -15.881 1129 HG22 THR 143 1HG2 THR 143 3.822 -3.985 -15.586 1130 HG23 THR 143 2HG2 THR 143 4.105 -2.851 -14.251 1131 H ASP 144 H ASP 144 -0.319 -5.163 -16.548 1132 HA ASP 144 HA ASP 144 -2.693 -3.709 -15.837 1133 HB2 ASP 144 2HB ASP 144 -2.869 -5.227 -17.719 1134 HB3 ASP 144 1HB ASP 144 -2.407 -6.591 -16.706 1135 H ILE 145 H ILE 145 -2.470 -3.211 -13.743 1136 HA ILE 145 HA ILE 145 -3.103 -5.406 -11.928 1137 HB ILE 145 HB ILE 145 -1.198 -3.044 -11.189 1138 HG12 ILE 145 2HG1 ILE 145 -0.672 -6.016 -11.361 1139 HG13 ILE 145 1HG1 ILE 145 -0.353 -4.925 -12.692 1140 HG21 ILE 145 1HG2 ILE 145 -2.183 -5.264 -9.474 1141 HG22 ILE 145 2HG2 ILE 145 -2.630 -3.568 -9.365 1142 HG23 ILE 145 3HG2 ILE 145 -0.958 -4.051 -9.095 1143 HD11 ILE 145 3HD1 ILE 145 0.785 -4.569 -9.968 1144 HD12 ILE 145 1HD1 ILE 145 1.213 -3.750 -11.462 1145 HD13 ILE 145 2HD1 ILE 145 1.591 -5.474 -11.268 1146 H LYS 146 H LYS 146 -4.699 -4.977 -10.469 1147 HA LYS 146 HA LYS 146 -6.486 -2.815 -11.159 1148 HB2 LYS 146 2HB LYS 146 -6.602 -4.926 -9.013 1149 HB3 LYS 146 1HB LYS 146 -7.896 -3.812 -9.396 1150 HG2 LYS 146 2HG LYS 146 -6.796 -5.903 -11.257 1151 HG3 LYS 146 1HG LYS 146 -8.224 -6.090 -10.243 1152 HD2 LYS 146 2HD LYS 146 -9.193 -4.092 -11.422 1153 HD3 LYS 146 1HD LYS 146 -7.825 -4.187 -12.538 1154 HE2 LYS 146 2HE LYS 146 -8.446 -6.435 -13.161 1155 HE3 LYS 146 1HE LYS 146 -9.755 -6.434 -11.988 1156 HZ1 LYS 146 3HZ LYS 146 -9.562 -4.870 -14.494 1157 HZ2 LYS 146 1HZ LYS 146 -10.704 -4.517 -13.273 1158 HZ3 LYS 146 2HZ LYS 146 -10.699 -6.021 -14.041 1159 H ILE 147 H ILE 147 -6.433 -0.873 -10.117 1160 HA ILE 147 HA ILE 147 -4.980 -0.810 -7.568 1161 HB ILE 147 HB ILE 147 -5.887 1.601 -9.116 1162 HG12 ILE 147 2HG1 ILE 147 -4.591 0.324 -10.767 1163 HG13 ILE 147 1HG1 ILE 147 -3.728 1.769 -10.279 1164 HG21 ILE 147 1HG2 ILE 147 -5.127 1.949 -6.857 1165 HG22 ILE 147 2HG2 ILE 147 -4.002 2.696 -7.995 1166 HG23 ILE 147 3HG2 ILE 147 -3.598 1.163 -7.225 1167 HD11 ILE 147 3HD1 ILE 147 -3.161 -1.030 -9.332 1168 HD12 ILE 147 1HD1 ILE 147 -2.239 0.449 -8.936 1169 HD13 ILE 147 2HD1 ILE 147 -2.327 -0.132 -10.603 1170 H THR 148 H THR 148 -6.435 -0.891 -5.915 1171 HA THR 148 HA THR 148 -9.011 0.376 -6.407 1172 HB THR 148 HB THR 148 -8.382 -1.794 -4.371 1173 HG1 THR 148 1HG THR 148 -8.311 -2.787 -6.316 1174 HG21 THR 148 3HG2 THR 148 -10.998 -0.653 -5.374 1175 HG22 THR 148 1HG2 THR 148 -10.295 -0.346 -3.790 1176 HG23 THR 148 2HG2 THR 148 -10.830 -1.972 -4.218 1177 H VAL 149 H VAL 149 -9.141 2.276 -5.531 1178 HA VAL 149 HA VAL 149 -7.464 2.885 -3.229 1179 HB VAL 149 HB VAL 149 -8.759 4.734 -5.249 1180 HG11 VAL 149 1HG1 VAL 149 -8.732 5.766 -3.008 1181 HG12 VAL 149 2HG1 VAL 149 -7.584 6.553 -4.089 1182 HG13 VAL 149 3HG1 VAL 149 -7.009 5.415 -2.871 1183 HG21 VAL 149 3HG2 VAL 149 -6.793 3.508 -6.030 1184 HG22 VAL 149 1HG2 VAL 149 -5.876 4.129 -4.657 1185 HG23 VAL 149 2HG2 VAL 149 -6.494 5.244 -5.883 1186 H TYR 150 H TYR 150 -8.324 3.169 -1.404 1187 HA TYR 150 HA TYR 150 -11.185 3.496 -1.286 1188 HB2 TYR 150 2HB TYR 150 -9.241 2.586 0.828 1189 HB3 TYR 150 1HB TYR 150 -10.944 2.923 1.160 1190 HD1 TYR 150 1HD TYR 150 -8.710 0.816 -0.936 1191 HD2 TYR 150 2HD TYR 150 -12.604 1.296 0.703 1192 HE1 TYR 150 1HE TYR 150 -9.298 -1.419 -1.692 1193 HE2 TYR 150 2HE TYR 150 -13.197 -0.948 -0.062 1194 HH TYR 150 HH TYR 150 -10.841 -3.138 -1.188 1195 H THR 151 H THR 151 -12.051 5.256 -0.924 1196 HA THR 151 HA THR 151 -10.327 7.521 -0.580 1197 HB THR 151 HB THR 151 -12.461 8.725 -1.237 1198 HG1 THR 151 1HG THR 151 -14.047 7.358 -0.891 1199 HG21 THR 151 3HG2 THR 151 -10.640 8.247 -2.829 1200 HG22 THR 151 1HG2 THR 151 -12.216 8.091 -3.604 1201 HG23 THR 151 2HG2 THR 151 -11.326 6.647 -3.124 1202 H LEU 152 H LEU 152 -10.073 8.447 1.259 1203 HA LEU 152 HA LEU 152 -12.286 8.634 3.133 1204 HB2 LEU 152 2HB LEU 152 -10.448 6.987 3.828 1205 HB3 LEU 152 1HB LEU 152 -9.340 8.330 3.831 1206 HG LEU 152 HG LEU 152 -10.028 7.677 6.098 1207 HD11 LEU 152 1HD1 LEU 152 -9.406 9.993 5.809 1208 HD12 LEU 152 2HD1 LEU 152 -10.697 9.841 6.998 1209 HD13 LEU 152 3HD1 LEU 152 -11.066 10.403 5.368 1210 HD21 LEU 152 3HD2 LEU 152 -12.325 8.060 6.869 1211 HD22 LEU 152 1HD2 LEU 152 -12.230 6.817 5.631 1212 HD23 LEU 152 2HD2 LEU 152 -12.808 8.435 5.218
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