NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555877 | 2m14 | 18842 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 1HT PRO 1 -12.561 14.001 7.421 2 H3 PRO 1 2HT PRO 1 -13.466 13.226 8.555 3 HA PRO 1 HA PRO 1 -12.592 11.469 7.981 4 HB2 PRO 1 2HB PRO 1 -13.539 11.248 5.248 5 HB3 PRO 1 1HB PRO 1 -14.064 10.364 6.686 6 HG2 PRO 1 2HG PRO 1 -15.608 12.227 5.438 7 HG3 PRO 1 1HG PRO 1 -15.716 11.871 7.172 8 HD2 PRO 1 2HD PRO 1 -14.296 14.126 5.784 9 HD3 PRO 1 1HD PRO 1 -15.302 14.165 7.245 10 H SER 2 H SER 2 -10.431 12.258 7.958 11 HA SER 2 HA SER 2 -9.285 12.845 5.326 12 HB2 SER 2 2HB SER 2 -7.201 13.253 6.928 13 HB3 SER 2 1HB SER 2 -8.454 14.476 6.721 14 HG SER 2 HG SER 2 -8.690 14.325 8.796 15 H HIS 3 H HIS 3 -8.109 11.099 8.204 16 HA HIS 3 HA HIS 3 -6.617 9.283 6.523 17 HB2 HIS 3 2HB HIS 3 -5.656 8.441 8.545 18 HB3 HIS 3 1HB HIS 3 -5.728 10.193 8.679 19 HD1 HIS 3 1HD HIS 3 -8.974 9.825 9.390 20 HD2 HIS 3 2HD HIS 3 -5.631 8.384 11.385 21 HE1 HIS 3 1HE HIS 3 -9.728 9.422 11.755 22 HE2 HIS 3 2HE HIS 3 -7.663 8.639 12.968 23 H SER 4 H SER 4 -9.027 8.801 5.703 24 HA SER 4 HA SER 4 -9.492 6.095 6.289 25 HB2 SER 4 2HB SER 4 -11.715 6.264 7.367 26 HB3 SER 4 1HB SER 4 -10.432 6.919 8.386 27 HG SER 4 HG SER 4 -11.173 8.915 8.072 28 H GLY 5 H GLY 5 -10.328 5.252 4.489 29 HA2 GLY 5 2HA GLY 5 -12.379 6.717 3.015 30 HA3 GLY 5 1HA GLY 5 -10.880 6.378 2.159 31 H ALA 6 H ALA 6 -13.592 5.409 1.591 32 HA ALA 6 HA ALA 6 -13.750 2.682 2.392 33 HB1 ALA 6 1HB ALA 6 -15.811 3.546 1.844 34 HB2 ALA 6 2HB ALA 6 -15.413 2.623 0.393 35 HB3 ALA 6 3HB ALA 6 -15.203 4.375 0.410 36 H ALA 7 H ALA 7 -12.214 1.298 1.835 37 HA ALA 7 HA ALA 7 -11.224 1.339 -0.944 38 HB1 ALA 7 1HB ALA 7 -9.633 1.708 1.087 39 HB2 ALA 7 2HB ALA 7 -9.139 0.637 -0.228 40 HB3 ALA 7 3HB ALA 7 -9.768 -0.043 1.272 41 H ILE 8 H ILE 8 -10.907 -0.661 -2.030 42 HA ILE 8 HA ILE 8 -12.782 -2.723 -1.160 43 HB ILE 8 HB ILE 8 -11.559 -2.028 -3.799 44 HG12 ILE 8 2HG1 ILE 8 -14.280 -2.785 -3.957 45 HG13 ILE 8 1HG1 ILE 8 -14.109 -1.793 -2.514 46 HG21 ILE 8 1HG2 ILE 8 -12.793 -4.683 -3.099 47 HG22 ILE 8 2HG2 ILE 8 -11.172 -4.384 -3.725 48 HG23 ILE 8 3HG2 ILE 8 -12.580 -4.092 -4.747 49 HD11 ILE 8 3HD1 ILE 8 -14.677 -0.600 -4.646 50 HD12 ILE 8 1HD1 ILE 8 -13.029 -0.954 -5.166 51 HD13 ILE 8 2HD1 ILE 8 -13.310 0.026 -3.726 52 H PHE 9 H PHE 9 -12.231 -4.879 -0.909 53 HA PHE 9 HA PHE 9 -9.458 -5.694 -1.229 54 HB2 PHE 9 2HB PHE 9 -9.912 -4.680 1.141 55 HB3 PHE 9 1HB PHE 9 -10.730 -6.210 1.439 56 HD1 PHE 9 1HD PHE 9 -7.594 -5.352 -0.388 57 HD2 PHE 9 2HD PHE 9 -9.412 -7.509 2.798 58 HE1 PHE 9 1HE PHE 9 -5.430 -6.402 0.130 59 HE2 PHE 9 2HE PHE 9 -7.251 -8.562 3.323 60 HZ PHE 9 HZ PHE 9 -5.256 -8.008 1.989 61 H GLU 10 H GLU 10 -9.480 -7.627 -2.163 62 HA GLU 10 HA GLU 10 -10.059 -9.754 -2.726 63 HB2 GLU 10 2HB GLU 10 -11.084 -9.460 -0.029 64 HB3 GLU 10 1HB GLU 10 -12.103 -10.530 -0.980 65 HG2 GLU 10 2HG GLU 10 -9.203 -10.989 -1.191 66 HG3 GLU 10 1HG GLU 10 -9.934 -11.336 0.375 67 H LYS 11 H LYS 11 -11.393 -7.444 -3.805 68 HA LYS 11 HA LYS 11 -12.939 -7.137 -5.459 69 HB2 LYS 11 2HB LYS 11 -14.309 -9.700 -4.676 70 HB3 LYS 11 1HB LYS 11 -14.368 -8.862 -6.219 71 HG2 LYS 11 2HG LYS 11 -12.502 -9.842 -6.962 72 HG3 LYS 11 1HG LYS 11 -11.676 -9.670 -5.413 73 HD2 LYS 11 2HD LYS 11 -12.893 -11.595 -4.538 74 HD3 LYS 11 1HD LYS 11 -13.757 -11.755 -6.069 75 HE2 LYS 11 2HE LYS 11 -11.827 -13.323 -5.784 76 HE3 LYS 11 1HE LYS 11 -11.755 -12.317 -7.229 77 HZ1 LYS 11 3HZ LYS 11 -9.625 -12.489 -6.009 78 HZ2 LYS 11 1HZ LYS 11 -10.337 -11.686 -4.700 79 HZ3 LYS 11 2HZ LYS 11 -10.169 -10.897 -6.186 80 H VAL 12 H VAL 12 -13.532 -7.342 -2.190 81 HA VAL 12 HA VAL 12 -16.287 -6.374 -2.481 82 HB VAL 12 HB VAL 12 -15.916 -8.306 -0.963 83 HG11 VAL 12 1HG1 VAL 12 -14.044 -8.242 0.253 84 HG12 VAL 12 2HG1 VAL 12 -15.002 -7.281 1.378 85 HG13 VAL 12 3HG1 VAL 12 -13.954 -6.482 0.209 86 HG21 VAL 12 3HG2 VAL 12 -16.797 -6.366 0.998 87 HG22 VAL 12 1HG2 VAL 12 -17.708 -7.634 0.177 88 HG23 VAL 12 2HG2 VAL 12 -17.500 -6.060 -0.591 89 H SER 13 H SER 13 -16.918 -4.417 -1.570 90 HA SER 13 HA SER 13 -14.714 -2.562 -1.138 91 HB2 SER 13 2HB SER 13 -17.532 -1.612 -1.149 92 HB3 SER 13 1HB SER 13 -16.090 -0.874 -1.844 93 HG SER 13 HG SER 13 -16.194 -2.715 -3.383 94 H GLY 14 H GLY 14 -14.098 -1.988 0.814 95 HA2 GLY 14 2HA GLY 14 -16.064 -2.178 3.011 96 HA3 GLY 14 1HA GLY 14 -14.382 -2.651 3.201 97 H ILE 15 H ILE 15 -13.798 -1.218 4.759 98 HA ILE 15 HA ILE 15 -13.729 1.601 3.934 99 HB ILE 15 HB ILE 15 -14.209 0.801 6.790 100 HG12 ILE 15 2HG1 ILE 15 -16.061 0.050 5.208 101 HG13 ILE 15 1HG1 ILE 15 -16.544 1.094 6.540 102 HG21 ILE 15 1HG2 ILE 15 -14.222 3.365 5.247 103 HG22 ILE 15 2HG2 ILE 15 -13.378 2.966 6.751 104 HG23 ILE 15 3HG2 ILE 15 -15.127 3.218 6.755 105 HD11 ILE 15 3HD1 ILE 15 -16.016 2.066 3.745 106 HD12 ILE 15 1HD1 ILE 15 -16.729 2.971 5.081 107 HD13 ILE 15 2HD1 ILE 15 -17.608 1.620 4.362 108 H ILE 16 H ILE 16 -11.719 2.295 3.888 109 HA ILE 16 HA ILE 16 -9.698 0.875 5.449 110 HB ILE 16 HB ILE 16 -9.720 2.251 2.884 111 HG12 ILE 16 2HG1 ILE 16 -7.863 0.306 4.254 112 HG13 ILE 16 1HG1 ILE 16 -9.121 -0.069 3.083 113 HG21 ILE 16 1HG2 ILE 16 -7.526 3.219 2.935 114 HG22 ILE 16 2HG2 ILE 16 -7.345 2.812 4.643 115 HG23 ILE 16 3HG2 ILE 16 -8.544 4.006 4.139 116 HD11 ILE 16 3HD1 ILE 16 -7.365 1.779 1.868 117 HD12 ILE 16 1HD1 ILE 16 -7.629 0.082 1.461 118 HD13 ILE 16 2HD1 ILE 16 -6.385 0.525 2.630 119 H ALA 17 H ALA 17 -9.012 1.690 7.294 120 HA ALA 17 HA ALA 17 -9.073 4.600 7.676 121 HB1 ALA 17 1HB ALA 17 -10.190 4.476 9.735 122 HB2 ALA 17 2HB ALA 17 -9.986 2.727 9.838 123 HB3 ALA 17 3HB ALA 17 -11.105 3.418 8.656 124 H ILE 18 H ILE 18 -7.267 5.392 8.521 125 HA ILE 18 HA ILE 18 -5.147 3.570 9.274 126 HB ILE 18 HB ILE 18 -5.119 6.586 9.114 127 HG12 ILE 18 2HG1 ILE 18 -3.702 5.906 6.998 128 HG13 ILE 18 1HG1 ILE 18 -4.644 4.422 7.102 129 HG21 ILE 18 1HG2 ILE 18 -2.709 6.395 9.106 130 HG22 ILE 18 2HG2 ILE 18 -2.820 4.637 9.201 131 HG23 ILE 18 3HG2 ILE 18 -3.364 5.630 10.553 132 HD11 ILE 18 3HD1 ILE 18 -5.994 7.086 7.112 133 HD12 ILE 18 1HD1 ILE 18 -6.635 5.511 6.647 134 HD13 ILE 18 2HD1 ILE 18 -5.478 6.335 5.602 135 H ASN 19 H ASN 19 -4.777 2.951 11.285 136 HA ASN 19 HA ASN 19 -6.048 4.274 13.517 137 HB2 ASN 19 2HB ASN 19 -5.442 1.687 13.064 138 HB3 ASN 19 1HB ASN 19 -4.028 2.158 14.002 139 HD21 ASN 19 1HD2 ASN 19 -4.766 0.703 15.621 140 HD22 ASN 19 2HD2 ASN 19 -6.017 1.171 16.716 141 H GLU 20 H GLU 20 -5.094 6.278 13.713 142 HA GLU 20 HA GLU 20 -2.197 6.382 14.122 143 HB2 GLU 20 2HB GLU 20 -4.271 8.527 13.671 144 HB3 GLU 20 1HB GLU 20 -2.609 8.889 14.114 145 HG2 GLU 20 2HG GLU 20 -1.942 7.521 12.072 146 HG3 GLU 20 1HG GLU 20 -3.637 7.626 11.598 147 H ASP 21 H ASP 21 -4.131 5.264 16.072 148 HA ASP 21 HA ASP 21 -3.760 7.152 18.293 149 HB2 ASP 21 2HB ASP 21 -5.793 5.042 17.712 150 HB3 ASP 21 1HB ASP 21 -5.414 5.402 19.394 151 H VAL 22 H VAL 22 -2.349 4.471 16.940 152 HA VAL 22 HA VAL 22 -1.482 3.402 19.547 153 HB VAL 22 HB VAL 22 -0.759 1.408 18.383 154 HG11 VAL 22 1HG1 VAL 22 -2.998 0.729 17.349 155 HG12 VAL 22 2HG1 VAL 22 -3.543 2.351 17.776 156 HG13 VAL 22 3HG1 VAL 22 -3.000 1.243 19.036 157 HG21 VAL 22 3HG2 VAL 22 0.058 2.205 16.321 158 HG22 VAL 22 1HG2 VAL 22 -1.487 2.947 15.902 159 HG23 VAL 22 2HG2 VAL 22 -1.327 1.190 15.916 160 H SER 23 H SER 23 0.898 2.332 19.130 161 HA SER 23 HA SER 23 2.644 4.546 18.999 162 HB2 SER 23 2HB SER 23 2.889 1.681 19.497 163 HB3 SER 23 1HB SER 23 4.260 2.319 18.588 164 HG SER 23 HG SER 23 3.447 2.840 21.190 165 HA PRO 24 HA PRO 24 3.801 3.300 14.609 166 HB2 PRO 24 2HB PRO 24 3.516 0.851 13.660 167 HB3 PRO 24 1HB PRO 24 4.742 1.171 14.895 168 HG2 PRO 24 2HG PRO 24 2.061 -0.113 15.174 169 HG3 PRO 24 1HG PRO 24 3.585 -0.513 15.984 170 HD2 PRO 24 2HD PRO 24 1.508 1.056 17.049 171 HD3 PRO 24 1HD PRO 24 3.161 0.935 17.678 172 H ALA 25 H ALA 25 2.321 4.513 13.520 173 HA ALA 25 HA ALA 25 -0.391 4.274 13.427 174 HB1 ALA 25 1HB ALA 25 0.438 5.080 10.822 175 HB2 ALA 25 2HB ALA 25 1.554 5.751 12.013 176 HB3 ALA 25 3HB ALA 25 -0.177 6.065 12.150 177 H GLU 26 H GLU 26 -1.774 2.815 12.729 178 HA GLU 26 HA GLU 26 -0.845 0.809 10.786 179 HB2 GLU 26 2HB GLU 26 -3.113 0.544 12.761 180 HB3 GLU 26 1HB GLU 26 -2.416 -0.728 11.767 181 HG2 GLU 26 2HG GLU 26 -0.304 -0.513 12.985 182 HG3 GLU 26 1HG GLU 26 -1.023 0.742 13.993 183 H LEU 27 H LEU 27 -2.724 -0.245 9.614 184 HA LEU 27 HA LEU 27 -4.728 1.713 8.729 185 HB2 LEU 27 2HB LEU 27 -2.708 1.507 7.185 186 HB3 LEU 27 1HB LEU 27 -3.225 -0.137 6.878 187 HG LEU 27 HG LEU 27 -5.375 1.774 6.441 188 HD11 LEU 27 1HD1 LEU 27 -4.427 2.747 4.389 189 HD12 LEU 27 2HD1 LEU 27 -2.858 2.051 4.799 190 HD13 LEU 27 3HD1 LEU 27 -3.577 3.282 5.839 191 HD21 LEU 27 3HD2 LEU 27 -4.149 -0.592 5.157 192 HD22 LEU 27 1HD2 LEU 27 -4.969 0.550 4.086 193 HD23 LEU 27 2HD2 LEU 27 -5.848 -0.189 5.424 194 H THR 28 H THR 28 -6.608 0.797 9.364 195 HA THR 28 HA THR 28 -6.873 -2.123 9.095 196 HB THR 28 HB THR 28 -8.646 -0.384 10.788 197 HG1 THR 28 1HG THR 28 -6.265 -1.659 11.642 198 HG21 THR 28 3HG2 THR 28 -7.832 -3.259 11.115 199 HG22 THR 28 1HG2 THR 28 -9.343 -2.717 10.386 200 HG23 THR 28 2HG2 THR 28 -9.006 -2.366 12.081 201 H TRP 29 H TRP 29 -8.129 -2.874 7.553 202 HA TRP 29 HA TRP 29 -10.038 -1.127 6.238 203 HB2 TRP 29 2HB TRP 29 -8.559 -2.388 4.788 204 HB3 TRP 29 1HB TRP 29 -9.027 -3.897 5.566 205 HD1 TRP 29 HD TRP 29 -10.646 -1.099 3.471 206 HE1 TRP 29 1HE TRP 29 -12.523 -2.143 2.032 207 HE3 TRP 29 3HE TRP 29 -10.433 -5.870 5.251 208 HZ2 TRP 29 2HZ TRP 29 -13.747 -4.678 1.721 209 HZ3 TRP 29 3HZ TRP 29 -11.990 -7.545 4.346 210 HH2 TRP 29 HH TRP 29 -13.609 -6.960 2.621 211 H ARG 30 H ARG 30 -11.997 -1.050 7.132 212 HA ARG 30 HA ARG 30 -13.145 -3.532 8.232 213 HB2 ARG 30 2HB ARG 30 -13.654 -0.630 8.878 214 HB3 ARG 30 1HB ARG 30 -14.754 -1.907 9.380 215 HG2 ARG 30 2HG ARG 30 -12.768 -2.994 10.507 216 HG3 ARG 30 1HG ARG 30 -11.900 -1.486 10.212 217 HD2 ARG 30 2HD ARG 30 -14.567 -1.245 11.458 218 HD3 ARG 30 1HD ARG 30 -13.306 -1.978 12.448 219 HE ARG 30 HE ARG 30 -12.118 0.252 11.480 220 HH11 ARG 30 1HH1 ARG 30 -15.127 -0.319 13.153 221 HH12 ARG 30 2HH1 ARG 30 -15.142 1.234 13.917 222 HH21 ARG 30 1HH2 ARG 30 -12.135 2.296 12.485 223 HH22 ARG 30 2HH2 ARG 30 -13.444 2.719 13.538 224 H SER 31 H SER 31 -14.517 -4.491 6.877 225 HA SER 31 HA SER 31 -15.507 -3.535 4.519 226 HB2 SER 31 2HB SER 31 -17.170 -5.307 4.590 227 HB3 SER 31 1HB SER 31 -15.649 -5.900 5.257 228 HG SER 31 HG SER 31 -16.618 -5.275 7.364 229 H THR 32 H THR 32 -17.829 -3.106 3.929 230 HA THR 32 HA THR 32 -18.748 -0.837 5.401 231 HB THR 32 HB THR 32 -20.678 -1.715 3.496 232 HG1 THR 32 1HG THR 32 -19.520 -2.241 1.793 233 HG21 THR 32 3HG2 THR 32 -20.063 0.641 4.111 234 HG22 THR 32 1HG2 THR 32 -20.249 0.317 2.388 235 HG23 THR 32 2HG2 THR 32 -18.637 0.443 3.093 236 H ASP 33 H ASP 33 -19.850 -4.092 4.807 237 HA ASP 33 HA ASP 33 -22.190 -3.776 6.440 238 HB2 ASP 33 2HB ASP 33 -21.044 -6.299 5.242 239 HB3 ASP 33 1HB ASP 33 -22.661 -6.107 5.914 240 H GLY 34 H GLY 34 -18.998 -5.127 6.741 241 HA2 GLY 34 2HA GLY 34 -17.931 -5.212 8.894 242 HA3 GLY 34 1HA GLY 34 -19.505 -5.512 9.615 243 H ASP 35 H ASP 35 -18.608 -7.185 6.717 244 HA ASP 35 HA ASP 35 -18.468 -9.676 8.258 245 HB2 ASP 35 2HB ASP 35 -20.056 -9.109 6.154 246 HB3 ASP 35 1HB ASP 35 -18.666 -9.777 5.304 247 H LYS 36 H LYS 36 -16.556 -7.526 6.415 248 HA LYS 36 HA LYS 36 -14.380 -9.510 6.390 249 HB2 LYS 36 2HB LYS 36 -14.706 -7.362 4.301 250 HB3 LYS 36 1HB LYS 36 -13.592 -8.722 4.284 251 HG2 LYS 36 2HG LYS 36 -16.029 -9.959 4.458 252 HG3 LYS 36 1HG LYS 36 -16.376 -8.564 3.435 253 HD2 LYS 36 2HD LYS 36 -15.152 -9.362 1.719 254 HD3 LYS 36 1HD LYS 36 -13.895 -10.000 2.781 255 HE2 LYS 36 2HE LYS 36 -15.055 -11.789 1.577 256 HE3 LYS 36 1HE LYS 36 -15.294 -11.913 3.320 257 HZ1 LYS 36 3HZ LYS 36 -17.222 -11.017 1.266 258 HZ2 LYS 36 1HZ LYS 36 -17.443 -10.658 2.904 259 HZ3 LYS 36 2HZ LYS 36 -17.390 -12.269 2.391 260 H VAL 37 H VAL 37 -12.410 -8.841 7.080 261 HA VAL 37 HA VAL 37 -11.979 -6.003 7.589 262 HB VAL 37 HB VAL 37 -12.862 -7.616 9.635 263 HG11 VAL 37 1HG1 VAL 37 -11.034 -7.980 11.165 264 HG12 VAL 37 2HG1 VAL 37 -9.885 -7.315 10.004 265 HG13 VAL 37 3HG1 VAL 37 -10.713 -8.832 9.654 266 HG21 VAL 37 3HG2 VAL 37 -12.888 -5.178 9.554 267 HG22 VAL 37 1HG2 VAL 37 -11.151 -5.147 9.860 268 HG23 VAL 37 2HG2 VAL 37 -12.252 -5.766 11.091 269 H HIS 38 H HIS 38 -9.745 -5.463 8.032 270 HA HIS 38 HA HIS 38 -7.719 -7.485 7.681 271 HB2 HIS 38 2HB HIS 38 -8.636 -6.698 5.344 272 HB3 HIS 38 1HB HIS 38 -7.632 -5.285 5.651 273 HD1 HIS 38 1HD HIS 38 -7.070 -9.048 5.942 274 HD2 HIS 38 2HD HIS 38 -5.236 -5.622 4.471 275 HE1 HIS 38 1HE HIS 38 -4.893 -9.824 4.950 276 HE2 HIS 38 2HE HIS 38 -3.764 -7.722 4.141 277 H THR 39 H THR 39 -5.665 -6.791 8.298 278 HA THR 39 HA THR 39 -5.550 -4.059 9.399 279 HB THR 39 HB THR 39 -3.842 -6.165 10.601 280 HG1 THR 39 1HG THR 39 -5.438 -7.175 11.609 281 HG21 THR 39 3HG2 THR 39 -3.793 -3.905 11.492 282 HG22 THR 39 1HG2 THR 39 -4.425 -5.046 12.679 283 HG23 THR 39 2HG2 THR 39 -5.527 -3.983 11.804 284 H VAL 40 H VAL 40 -3.782 -2.848 8.988 285 HA VAL 40 HA VAL 40 -1.468 -4.093 7.685 286 HB VAL 40 HB VAL 40 -3.234 -2.008 6.529 287 HG11 VAL 40 1HG1 VAL 40 -0.244 -2.028 6.206 288 HG12 VAL 40 2HG1 VAL 40 -1.271 -0.686 6.709 289 HG13 VAL 40 3HG1 VAL 40 -1.335 -1.270 5.046 290 HG21 VAL 40 3HG2 VAL 40 -1.574 -4.271 5.479 291 HG22 VAL 40 1HG2 VAL 40 -2.495 -3.172 4.444 292 HG23 VAL 40 2HG2 VAL 40 -3.335 -4.198 5.609 293 H VAL 41 H VAL 41 0.350 -3.430 8.562 294 HA VAL 41 HA VAL 41 0.229 -0.997 10.189 295 HB VAL 41 HB VAL 41 2.259 -3.234 10.297 296 HG11 VAL 41 1HG1 VAL 41 2.580 -1.788 12.589 297 HG12 VAL 41 2HG1 VAL 41 2.259 -0.517 11.410 298 HG13 VAL 41 3HG1 VAL 41 3.597 -1.637 11.155 299 HG21 VAL 41 3HG2 VAL 41 -0.134 -2.489 11.936 300 HG22 VAL 41 1HG2 VAL 41 1.203 -3.391 12.654 301 HG23 VAL 41 2HG2 VAL 41 0.323 -4.064 11.281 302 H LEU 42 H LEU 42 0.952 0.788 9.305 303 HA LEU 42 HA LEU 42 2.410 0.917 6.920 304 HB2 LEU 42 2HB LEU 42 1.894 2.932 9.087 305 HB3 LEU 42 1HB LEU 42 2.819 3.330 7.652 306 HG LEU 42 HG LEU 42 0.592 4.083 7.285 307 HD11 LEU 42 1HD1 LEU 42 1.863 2.539 5.531 308 HD12 LEU 42 2HD1 LEU 42 0.263 3.210 5.215 309 HD13 LEU 42 3HD1 LEU 42 0.426 1.544 5.768 310 HD21 LEU 42 3HD2 LEU 42 -0.541 1.345 7.675 311 HD22 LEU 42 1HD2 LEU 42 -1.348 2.912 7.734 312 HD23 LEU 42 2HD2 LEU 42 -0.299 2.410 9.060 313 H SER 43 H SER 43 3.449 0.452 10.168 314 HA SER 43 HA SER 43 6.042 1.488 10.059 315 HB2 SER 43 2HB SER 43 4.585 0.292 11.994 316 HB3 SER 43 1HB SER 43 5.672 -1.031 11.571 317 HG SER 43 HG SER 43 6.237 0.859 13.186 318 H THR 44 H THR 44 4.681 -1.434 8.794 319 HA THR 44 HA THR 44 7.298 -2.510 8.092 320 HB THR 44 HB THR 44 6.268 -4.543 7.697 321 HG1 THR 44 1HG THR 44 4.770 -4.336 6.225 322 HG21 THR 44 3HG2 THR 44 4.296 -3.231 9.550 323 HG22 THR 44 1HG2 THR 44 5.811 -3.999 10.023 324 HG23 THR 44 2HG2 THR 44 4.512 -4.967 9.324 325 H ILE 45 H ILE 45 4.515 -1.009 6.685 326 HA ILE 45 HA ILE 45 4.877 -1.528 3.988 327 HB ILE 45 HB ILE 45 3.913 1.057 5.218 328 HG12 ILE 45 2HG1 ILE 45 2.719 -1.038 5.950 329 HG13 ILE 45 1HG1 ILE 45 1.701 0.144 5.140 330 HG21 ILE 45 1HG2 ILE 45 4.505 0.604 2.585 331 HG22 ILE 45 2HG2 ILE 45 3.372 1.812 3.187 332 HG23 ILE 45 3HG2 ILE 45 2.784 0.240 2.654 333 HD11 ILE 45 3HD1 ILE 45 1.042 -1.417 3.723 334 HD12 ILE 45 1HD1 ILE 45 2.102 -2.588 4.512 335 HD13 ILE 45 2HD1 ILE 45 2.706 -1.618 3.169 336 H ASP 46 H ASP 46 6.868 -1.437 3.099 337 HA ASP 46 HA ASP 46 8.773 0.593 3.732 338 HB2 ASP 46 2HB ASP 46 9.311 -1.762 2.982 339 HB3 ASP 46 1HB ASP 46 8.839 -1.273 1.358 340 H LYS 47 H LYS 47 6.409 0.118 1.176 341 HA LYS 47 HA LYS 47 6.913 2.861 0.290 342 HB2 LYS 47 2HB LYS 47 6.599 0.580 -1.665 343 HB3 LYS 47 1HB LYS 47 6.899 2.268 -2.047 344 HG2 LYS 47 2HG LYS 47 8.988 1.385 -2.303 345 HG3 LYS 47 1HG LYS 47 9.055 1.904 -0.617 346 HD2 LYS 47 2HD LYS 47 9.789 -0.200 -0.271 347 HD3 LYS 47 1HD LYS 47 8.070 -0.593 -0.323 348 HE2 LYS 47 2HE LYS 47 9.245 -2.122 -1.748 349 HE3 LYS 47 1HE LYS 47 8.301 -1.027 -2.758 350 HZ1 LYS 47 3HZ LYS 47 10.241 -0.846 -3.852 351 HZ2 LYS 47 1HZ LYS 47 11.180 -1.314 -2.524 352 HZ3 LYS 47 2HZ LYS 47 10.616 0.276 -2.644 353 H LEU 48 H LEU 48 5.161 3.705 -1.092 354 HA LEU 48 HA LEU 48 2.570 2.452 -0.453 355 HB2 LEU 48 2HB LEU 48 2.783 4.434 0.868 356 HB3 LEU 48 1HB LEU 48 3.354 5.361 -0.504 357 HG LEU 48 HG LEU 48 1.042 4.954 -1.531 358 HD11 LEU 48 1HD1 LEU 48 0.726 3.748 1.140 359 HD12 LEU 48 2HD1 LEU 48 -0.116 3.404 -0.371 360 HD13 LEU 48 3HD1 LEU 48 -0.583 4.799 0.601 361 HD21 LEU 48 3HD2 LEU 48 0.939 6.591 0.974 362 HD22 LEU 48 1HD2 LEU 48 0.233 6.927 -0.607 363 HD23 LEU 48 2HD2 LEU 48 1.976 7.057 -0.374 364 H GLN 49 H GLN 49 0.857 2.825 -2.013 365 HA GLN 49 HA GLN 49 1.762 3.723 -4.654 366 HB2 GLN 49 2HB GLN 49 0.213 1.158 -4.396 367 HB3 GLN 49 1HB GLN 49 1.080 1.778 -5.793 368 HG2 GLN 49 2HG GLN 49 3.120 1.557 -4.075 369 HG3 GLN 49 1HG GLN 49 2.072 0.283 -3.454 370 HE21 GLN 49 1HE2 GLN 49 3.433 1.514 -6.484 371 HE22 GLN 49 2HE2 GLN 49 3.664 -0.044 -7.215 372 H ALA 50 H ALA 50 0.211 4.617 -5.933 373 HA ALA 50 HA ALA 50 -2.589 4.382 -5.358 374 HB1 ALA 50 1HB ALA 50 -2.344 5.944 -3.669 375 HB2 ALA 50 2HB ALA 50 -2.755 6.956 -5.054 376 HB3 ALA 50 3HB ALA 50 -1.078 6.824 -4.525 377 H THR 51 H THR 51 -3.756 4.769 -7.155 378 HA THR 51 HA THR 51 -2.326 5.566 -9.554 379 HB THR 51 HB THR 51 -4.517 4.995 -10.670 380 HG1 THR 51 1HG THR 51 -5.826 5.336 -8.801 381 HG21 THR 51 3HG2 THR 51 -3.144 3.191 -10.841 382 HG22 THR 51 1HG2 THR 51 -4.432 2.500 -9.855 383 HG23 THR 51 2HG2 THR 51 -2.935 3.042 -9.096 384 HA PRO 52 HA PRO 52 -3.514 9.874 -8.687 385 HB2 PRO 52 2HB PRO 52 -2.391 10.625 -11.138 386 HB3 PRO 52 1HB PRO 52 -1.573 10.646 -9.571 387 HG2 PRO 52 2HG PRO 52 -1.562 8.526 -11.683 388 HG3 PRO 52 1HG PRO 52 -0.212 9.138 -10.709 389 HD2 PRO 52 2HD PRO 52 -1.301 6.833 -10.105 390 HD3 PRO 52 1HD PRO 52 -0.950 7.987 -8.797 391 H ALA 53 H ALA 53 -4.812 11.435 -9.881 392 HA ALA 53 HA ALA 53 -7.123 10.369 -10.992 393 HB1 ALA 53 1HB ALA 53 -6.097 13.147 -11.530 394 HB2 ALA 53 2HB ALA 53 -6.836 12.658 -10.005 395 HB3 ALA 53 3HB ALA 53 -7.773 12.599 -11.498 396 H SER 54 H SER 54 -4.064 10.890 -12.473 397 HA SER 54 HA SER 54 -4.964 11.221 -15.152 398 HB2 SER 54 2HB SER 54 -2.671 11.832 -14.246 399 HB3 SER 54 1HB SER 54 -2.289 10.111 -14.296 400 HG SER 54 HG SER 54 -2.015 10.267 -16.368 401 H SER 55 H SER 55 -4.654 8.511 -13.073 402 HA SER 55 HA SER 55 -4.639 6.606 -15.282 403 HB2 SER 55 2HB SER 55 -4.144 6.462 -12.357 404 HB3 SER 55 1HB SER 55 -4.845 5.030 -13.111 405 HG SER 55 HG SER 55 -2.459 6.349 -13.908 406 H GLU 56 H GLU 56 -6.461 5.881 -16.140 407 HA GLU 56 HA GLU 56 -9.011 6.602 -15.261 408 HB2 GLU 56 2HB GLU 56 -8.112 5.633 -17.559 409 HB3 GLU 56 1HB GLU 56 -8.670 4.115 -16.868 410 HG2 GLU 56 2HG GLU 56 -10.635 4.640 -17.768 411 HG3 GLU 56 1HG GLU 56 -10.799 5.757 -16.413 412 H LYS 57 H LYS 57 -6.964 4.001 -14.316 413 HA LYS 57 HA LYS 57 -9.162 2.613 -12.971 414 HB2 LYS 57 2HB LYS 57 -6.315 1.673 -12.925 415 HB3 LYS 57 1HB LYS 57 -7.794 0.729 -12.832 416 HG2 LYS 57 2HG LYS 57 -6.599 2.034 -15.263 417 HG3 LYS 57 1HG LYS 57 -6.802 0.310 -14.947 418 HD2 LYS 57 2HD LYS 57 -9.079 2.268 -15.214 419 HD3 LYS 57 1HD LYS 57 -8.476 1.261 -16.532 420 HE2 LYS 57 2HE LYS 57 -9.437 -0.609 -15.716 421 HE3 LYS 57 1HE LYS 57 -9.109 -0.169 -14.040 422 HZ1 LYS 57 3HZ LYS 57 -11.034 1.056 -13.891 423 HZ2 LYS 57 1HZ LYS 57 -11.530 -0.214 -14.894 424 HZ3 LYS 57 2HZ LYS 57 -11.159 1.295 -15.561 425 H MET 58 H MET 58 -9.622 3.213 -10.968 426 HA MET 58 HA MET 58 -7.605 4.542 -9.341 427 HB2 MET 58 2HB MET 58 -10.485 4.012 -8.618 428 HB3 MET 58 1HB MET 58 -9.399 5.193 -7.901 429 HG2 MET 58 2HG MET 58 -9.750 5.536 -10.773 430 HG3 MET 58 1HG MET 58 -11.247 5.687 -9.857 431 HE1 MET 58 3HE MET 58 -7.948 8.681 -10.314 432 HE2 MET 58 1HE MET 58 -9.087 8.087 -11.522 433 HE3 MET 58 2HE MET 58 -7.902 6.990 -10.813 434 H MET 59 H MET 59 -6.255 3.186 -8.330 435 HA MET 59 HA MET 59 -7.343 1.307 -6.422 436 HB2 MET 59 2HB MET 59 -5.404 0.284 -8.494 437 HB3 MET 59 1HB MET 59 -6.218 -0.642 -7.241 438 HG2 MET 59 2HG MET 59 -8.367 -0.216 -8.342 439 HG3 MET 59 1HG MET 59 -7.525 0.670 -9.613 440 HE1 MET 59 3HE MET 59 -4.985 -1.980 -10.682 441 HE2 MET 59 1HE MET 59 -5.381 -0.272 -10.490 442 HE3 MET 59 2HE MET 59 -6.057 -1.188 -11.837 443 H LEU 60 H LEU 60 -6.013 0.991 -4.695 444 HA LEU 60 HA LEU 60 -3.389 2.333 -4.808 445 HB2 LEU 60 2HB LEU 60 -5.498 2.209 -2.710 446 HB3 LEU 60 1HB LEU 60 -3.826 2.303 -2.193 447 HG LEU 60 HG LEU 60 -3.621 4.367 -3.660 448 HD11 LEU 60 1HD1 LEU 60 -6.593 4.560 -3.467 449 HD12 LEU 60 2HD1 LEU 60 -5.856 3.713 -4.826 450 HD13 LEU 60 3HD1 LEU 60 -5.477 5.411 -4.535 451 HD21 LEU 60 3HD2 LEU 60 -3.850 4.365 -1.176 452 HD22 LEU 60 1HD2 LEU 60 -5.590 4.563 -1.388 453 HD23 LEU 60 2HD2 LEU 60 -4.484 5.811 -1.961 454 H ARG 61 H ARG 61 -1.677 1.433 -3.502 455 HA ARG 61 HA ARG 61 -1.990 -1.269 -2.500 456 HB2 ARG 61 2HB ARG 61 0.234 -0.943 -4.457 457 HB3 ARG 61 1HB ARG 61 -0.644 -2.391 -3.992 458 HG2 ARG 61 2HG ARG 61 -2.475 -1.842 -5.387 459 HG3 ARG 61 1HG ARG 61 -1.870 -0.206 -5.650 460 HD2 ARG 61 2HD ARG 61 -1.493 -1.720 -7.576 461 HD3 ARG 61 1HD ARG 61 -0.009 -1.034 -6.918 462 HE ARG 61 HE ARG 61 -0.198 -3.398 -5.633 463 HH11 ARG 61 1HH1 ARG 61 -0.361 -2.514 -9.006 464 HH12 ARG 61 2HH1 ARG 61 0.283 -4.023 -9.561 465 HH21 ARG 61 1HH2 ARG 61 0.649 -5.383 -6.363 466 HH22 ARG 61 2HH2 ARG 61 0.856 -5.651 -8.061 467 H LEU 62 H LEU 62 -0.293 -1.917 -1.118 468 HA LEU 62 HA LEU 62 1.711 0.163 -0.544 469 HB2 LEU 62 2HB LEU 62 -0.184 -1.198 1.303 470 HB3 LEU 62 1HB LEU 62 1.413 -0.791 1.894 471 HG LEU 62 HG LEU 62 0.667 1.570 0.760 472 HD11 LEU 62 1HD1 LEU 62 -1.735 1.564 2.091 473 HD12 LEU 62 2HD1 LEU 62 -1.741 0.023 1.235 474 HD13 LEU 62 3HD1 LEU 62 -1.512 1.529 0.339 475 HD21 LEU 62 3HD2 LEU 62 1.419 2.005 2.814 476 HD22 LEU 62 1HD2 LEU 62 0.857 0.458 3.441 477 HD23 LEU 62 2HD2 LEU 62 -0.256 1.821 3.340 478 H ILE 63 H ILE 63 3.749 -0.526 -0.390 479 HA ILE 63 HA ILE 63 4.286 -3.361 -0.710 480 HB ILE 63 HB ILE 63 6.184 -1.011 -0.652 481 HG12 ILE 63 2HG1 ILE 63 4.682 -0.926 -2.567 482 HG13 ILE 63 1HG1 ILE 63 6.300 -1.375 -3.099 483 HG21 ILE 63 1HG2 ILE 63 6.610 -3.910 -0.739 484 HG22 ILE 63 2HG2 ILE 63 7.712 -2.613 -0.278 485 HG23 ILE 63 3HG2 ILE 63 7.474 -3.005 -1.981 486 HD11 ILE 63 3HD1 ILE 63 5.422 -3.125 -4.116 487 HD12 ILE 63 1HD1 ILE 63 3.832 -2.764 -3.442 488 HD13 ILE 63 2HD1 ILE 63 4.964 -3.773 -2.539 489 H GLY 64 H GLY 64 4.860 -4.684 0.886 490 HA2 GLY 64 2HA GLY 64 5.266 -3.568 3.553 491 HA3 GLY 64 1HA GLY 64 5.006 -5.261 3.163 492 H LYS 65 H LYS 65 6.962 -4.488 4.964 493 HA LYS 65 HA LYS 65 9.513 -4.200 3.749 494 HB2 LYS 65 2HB LYS 65 8.502 -4.107 6.346 495 HB3 LYS 65 1HB LYS 65 9.590 -5.489 6.352 496 HG2 LYS 65 2HG LYS 65 10.675 -3.380 7.030 497 HG3 LYS 65 1HG LYS 65 11.421 -4.125 5.616 498 HD2 LYS 65 2HD LYS 65 10.902 -2.392 4.287 499 HD3 LYS 65 1HD LYS 65 9.283 -2.235 4.969 500 HE2 LYS 65 2HE LYS 65 10.815 -1.382 7.042 501 HE3 LYS 65 1HE LYS 65 11.776 -0.844 5.666 502 HZ1 LYS 65 3HZ LYS 65 8.928 -0.297 5.513 503 HZ2 LYS 65 1HZ LYS 65 10.244 0.675 5.080 504 HZ3 LYS 65 2HZ LYS 65 9.773 0.562 6.700 505 H VAL 66 H VAL 66 10.990 -5.689 3.102 506 HA VAL 66 HA VAL 66 10.166 -8.481 3.122 507 HB VAL 66 HB VAL 66 10.351 -7.417 0.929 508 HG11 VAL 66 1HG1 VAL 66 11.934 -5.909 0.594 509 HG12 VAL 66 2HG1 VAL 66 13.084 -7.240 0.471 510 HG13 VAL 66 3HG1 VAL 66 12.828 -6.436 2.019 511 HG21 VAL 66 3HG2 VAL 66 12.420 -9.108 0.268 512 HG22 VAL 66 1HG2 VAL 66 10.717 -9.550 0.398 513 HG23 VAL 66 2HG2 VAL 66 11.798 -9.794 1.770 514 H ASP 67 H ASP 67 13.180 -8.410 2.176 515 HA ASP 67 HA ASP 67 14.692 -8.125 4.536 516 HB2 ASP 67 2HB ASP 67 13.274 -10.279 4.891 517 HB3 ASP 67 1HB ASP 67 14.403 -11.011 3.754 518 H GLU 68 H GLU 68 16.480 -7.357 3.625 519 HA GLU 68 HA GLU 68 17.455 -8.565 1.138 520 HB2 GLU 68 2HB GLU 68 18.226 -5.972 2.489 521 HB3 GLU 68 1HB GLU 68 18.877 -6.550 0.962 522 HG2 GLU 68 2HG GLU 68 16.692 -6.407 -0.063 523 HG3 GLU 68 1HG GLU 68 15.978 -5.924 1.475 524 H SER 69 H SER 69 17.768 -9.841 3.749 525 HA SER 69 HA SER 69 20.709 -9.805 3.950 526 HB2 SER 69 2HB SER 69 18.579 -10.030 6.030 527 HB3 SER 69 1HB SER 69 20.087 -10.909 6.285 528 HG SER 69 HG SER 69 19.904 -8.135 5.712 529 H LYS 70 H LYS 70 19.063 -11.361 2.102 530 HA LYS 70 HA LYS 70 20.075 -14.004 2.833 531 HB2 LYS 70 2HB LYS 70 17.228 -13.438 1.997 532 HB3 LYS 70 1HB LYS 70 17.940 -15.045 2.033 533 HG2 LYS 70 2HG LYS 70 17.960 -13.332 4.481 534 HG3 LYS 70 1HG LYS 70 16.516 -14.242 4.031 535 HD2 LYS 70 2HD LYS 70 19.187 -15.591 4.169 536 HD3 LYS 70 1HD LYS 70 18.240 -15.323 5.634 537 HE2 LYS 70 2HE LYS 70 17.382 -17.344 5.096 538 HE3 LYS 70 1HE LYS 70 16.338 -16.369 4.063 539 HZ1 LYS 70 3HZ LYS 70 17.591 -18.406 3.095 540 HZ2 LYS 70 1HZ LYS 70 18.903 -17.340 3.008 541 HZ3 LYS 70 2HZ LYS 70 17.469 -16.986 2.183 542 H LYS 71 H LYS 71 18.343 -12.184 0.306 543 HA LYS 71 HA LYS 71 18.633 -12.055 -1.946 544 HB2 LYS 71 2HB LYS 71 21.363 -12.641 -0.931 545 HB3 LYS 71 1HB LYS 71 21.093 -12.845 -2.656 546 HG2 LYS 71 2HG LYS 71 20.090 -10.334 -1.488 547 HG3 LYS 71 1HG LYS 71 21.844 -10.532 -1.523 548 HD2 LYS 71 2HD LYS 71 21.924 -10.598 -3.827 549 HD3 LYS 71 1HD LYS 71 20.252 -11.144 -3.973 550 HE2 LYS 71 2HE LYS 71 19.429 -8.963 -3.407 551 HE3 LYS 71 1HE LYS 71 21.055 -8.397 -3.027 552 HZ1 LYS 71 3HZ LYS 71 20.458 -7.603 -5.178 553 HZ2 LYS 71 1HZ LYS 71 20.007 -9.148 -5.700 554 HZ3 LYS 71 2HZ LYS 71 21.632 -8.802 -5.388 555 H ARG 72 H ARG 72 18.653 -13.323 -3.874 556 HA ARG 72 HA ARG 72 19.310 -16.047 -3.988 557 HB2 ARG 72 2HB ARG 72 17.054 -17.048 -3.974 558 HB3 ARG 72 1HB ARG 72 17.494 -16.374 -2.410 559 HG2 ARG 72 2HG ARG 72 15.872 -14.815 -2.474 560 HG3 ARG 72 1HG ARG 72 16.033 -14.563 -4.213 561 HD2 ARG 72 2HD ARG 72 14.080 -15.654 -4.348 562 HD3 ARG 72 1HD ARG 72 15.056 -17.104 -4.113 563 HE ARG 72 HE ARG 72 14.507 -16.326 -1.586 564 HH11 ARG 72 1HH1 ARG 72 12.503 -16.878 -4.389 565 HH12 ARG 72 2HH1 ARG 72 11.124 -17.365 -3.462 566 HH21 ARG 72 1HH2 ARG 72 12.695 -16.967 -0.365 567 HH22 ARG 72 2HH2 ARG 72 11.232 -17.415 -1.178 568 H LYS 73 H LYS 73 17.851 -17.123 -5.856 569 HA LYS 73 HA LYS 73 17.746 -15.117 -8.012 570 HB2 LYS 73 2HB LYS 73 18.639 -17.982 -7.977 571 HB3 LYS 73 1HB LYS 73 18.080 -17.247 -9.474 572 HG2 LYS 73 2HG LYS 73 20.246 -16.720 -9.718 573 HG3 LYS 73 1HG LYS 73 19.835 -15.376 -8.649 574 HD2 LYS 73 2HD LYS 73 20.991 -16.237 -6.910 575 HD3 LYS 73 1HD LYS 73 20.543 -17.898 -7.302 576 HE2 LYS 73 2HE LYS 73 22.315 -18.187 -8.723 577 HE3 LYS 73 1HE LYS 73 22.409 -16.474 -9.127 578 HZ1 LYS 73 3HZ LYS 73 23.557 -16.000 -7.181 579 HZ2 LYS 73 1HZ LYS 73 24.235 -17.470 -7.673 580 HZ3 LYS 73 2HZ LYS 73 23.096 -17.440 -6.423 581 H ASP 74 H ASP 74 16.408 -16.196 -9.956 582 HA ASP 74 HA ASP 74 13.764 -16.735 -8.810 583 HB2 ASP 74 2HB ASP 74 14.439 -14.866 -10.616 584 HB3 ASP 74 1HB ASP 74 14.071 -16.193 -11.714 585 H ASN 75 H ASN 75 15.927 -18.754 -9.181 586 HA ASN 75 HA ASN 75 15.951 -20.997 -9.612 587 HB2 ASN 75 2HB ASN 75 13.365 -20.674 -9.389 588 HB3 ASN 75 1HB ASN 75 13.380 -20.845 -11.142 589 HD21 ASN 75 1HD2 ASN 75 12.625 -22.804 -11.541 590 HD22 ASN 75 2HD2 ASN 75 13.192 -24.269 -10.823 591 H GLU 76 H GLU 76 16.094 -18.576 -11.823 592 HA GLU 76 HA GLU 76 16.620 -20.385 -14.073 593 HB2 GLU 76 2HB GLU 76 16.557 -17.447 -14.478 594 HB3 GLU 76 1HB GLU 76 15.985 -18.734 -15.529 595 HG2 GLU 76 2HG GLU 76 14.039 -19.039 -14.066 596 HG3 GLU 76 1HG GLU 76 14.615 -17.717 -13.051 597 H GLY 77 H GLY 77 17.970 -17.964 -11.997 598 HA2 GLY 77 2HA GLY 77 20.411 -18.306 -11.577 599 HA3 GLY 77 1HA GLY 77 20.587 -18.319 -13.325 600 H ASN 78 H ASN 78 18.470 -16.149 -11.544 601 HA ASN 78 HA ASN 78 20.275 -13.921 -12.220 602 HB2 ASN 78 2HB ASN 78 17.253 -13.816 -12.302 603 HB3 ASN 78 1HB ASN 78 18.369 -12.539 -12.777 604 HD21 ASN 78 1HD2 ASN 78 16.257 -14.028 -14.248 605 HD22 ASN 78 2HD2 ASN 78 17.049 -14.638 -15.668 606 H GLU 79 H GLU 79 21.066 -13.181 -10.363 607 HA GLU 79 HA GLU 79 19.951 -13.558 -7.829 608 HB2 GLU 79 2HB GLU 79 21.510 -11.637 -7.175 609 HB3 GLU 79 1HB GLU 79 22.247 -13.062 -7.893 610 HG2 GLU 79 2HG GLU 79 22.657 -11.984 -9.914 611 HG3 GLU 79 1HG GLU 79 21.498 -10.701 -9.570 612 H VAL 80 H VAL 80 17.970 -12.868 -7.312 613 HA VAL 80 HA VAL 80 17.329 -10.036 -7.818 614 HB VAL 80 HB VAL 80 14.975 -10.621 -8.006 615 HG11 VAL 80 1HG1 VAL 80 15.288 -12.274 -10.059 616 HG12 VAL 80 2HG1 VAL 80 16.981 -11.845 -9.814 617 HG13 VAL 80 3HG1 VAL 80 15.789 -10.585 -10.130 618 HG21 VAL 80 3HG2 VAL 80 15.971 -13.329 -7.267 619 HG22 VAL 80 1HG2 VAL 80 14.572 -13.203 -8.333 620 HG23 VAL 80 2HG2 VAL 80 14.527 -12.472 -6.729 621 H VAL 81 H VAL 81 15.160 -9.639 -6.326 622 HA VAL 81 HA VAL 81 16.013 -10.346 -3.595 623 HB VAL 81 HB VAL 81 14.523 -7.847 -4.397 624 HG11 VAL 81 1HG1 VAL 81 15.112 -7.074 -2.159 625 HG12 VAL 81 2HG1 VAL 81 15.924 -8.606 -1.835 626 HG13 VAL 81 3HG1 VAL 81 14.178 -8.568 -2.086 627 HG21 VAL 81 3HG2 VAL 81 17.417 -8.459 -4.329 628 HG22 VAL 81 1HG2 VAL 81 16.912 -6.913 -3.647 629 HG23 VAL 81 2HG2 VAL 81 16.522 -7.307 -5.321 630 HA PRO 82 HA PRO 82 12.167 -12.459 -2.994 631 HB2 PRO 82 2HB PRO 82 12.272 -11.216 -0.286 632 HB3 PRO 82 1HB PRO 82 12.053 -12.910 -0.739 633 HG2 PRO 82 2HG PRO 82 14.386 -12.054 0.209 634 HG3 PRO 82 1HG PRO 82 14.319 -13.243 -1.104 635 HD2 PRO 82 2HD PRO 82 14.956 -10.330 -1.214 636 HD3 PRO 82 1HD PRO 82 15.627 -11.670 -2.165 637 H LYS 83 H LYS 83 10.211 -11.834 -3.636 638 HA LYS 83 HA LYS 83 9.412 -9.187 -3.939 639 HB2 LYS 83 2HB LYS 83 7.830 -11.750 -3.837 640 HB3 LYS 83 1HB LYS 83 7.080 -10.195 -4.173 641 HG2 LYS 83 2HG LYS 83 7.470 -10.780 -6.306 642 HG3 LYS 83 1HG LYS 83 9.079 -10.139 -5.968 643 HD2 LYS 83 2HD LYS 83 9.949 -12.319 -5.562 644 HD3 LYS 83 1HD LYS 83 8.334 -13.031 -5.573 645 HE2 LYS 83 2HE LYS 83 8.098 -12.680 -7.905 646 HE3 LYS 83 1HE LYS 83 9.518 -11.637 -7.961 647 HZ1 LYS 83 3HZ LYS 83 9.347 -14.539 -7.933 648 HZ2 LYS 83 1HZ LYS 83 10.603 -13.864 -7.021 649 HZ3 LYS 83 2HZ LYS 83 10.483 -13.528 -8.674 650 HA PRO 84 HA PRO 84 8.281 -8.261 0.290 651 HB2 PRO 84 2HB PRO 84 7.513 -5.722 -0.076 652 HB3 PRO 84 1HB PRO 84 9.215 -6.198 -0.143 653 HG2 PRO 84 2HG PRO 84 7.292 -5.735 -2.386 654 HG3 PRO 84 1HG PRO 84 8.964 -5.174 -2.220 655 HD2 PRO 84 2HD PRO 84 8.278 -7.347 -3.699 656 HD3 PRO 84 1HD PRO 84 9.840 -7.202 -2.867 657 H GLN 85 H GLN 85 6.442 -8.729 1.336 658 HA GLN 85 HA GLN 85 4.018 -9.241 0.031 659 HB2 GLN 85 2HB GLN 85 3.060 -9.170 2.401 660 HB3 GLN 85 1HB GLN 85 4.342 -10.332 2.091 661 HG2 GLN 85 2HG GLN 85 5.766 -9.337 3.506 662 HG3 GLN 85 1HG GLN 85 5.258 -7.714 3.040 663 HE21 GLN 85 1HE2 GLN 85 4.129 -10.566 4.812 664 HE22 GLN 85 2HE2 GLN 85 3.289 -9.680 6.047 665 H ARG 86 H ARG 86 2.705 -7.821 -0.896 666 HA ARG 86 HA ARG 86 2.370 -5.185 0.379 667 HB2 ARG 86 2HB ARG 86 1.894 -4.306 -1.904 668 HB3 ARG 86 1HB ARG 86 3.539 -4.893 -1.701 669 HG2 ARG 86 2HG ARG 86 3.229 -6.670 -3.101 670 HG3 ARG 86 1HG ARG 86 1.496 -6.762 -2.780 671 HD2 ARG 86 2HD ARG 86 0.988 -5.292 -4.409 672 HD3 ARG 86 1HD ARG 86 2.395 -4.283 -4.077 673 HE ARG 86 HE ARG 86 3.437 -5.324 -5.806 674 HH11 ARG 86 1HH1 ARG 86 0.992 -7.486 -4.570 675 HH12 ARG 86 2HH1 ARG 86 1.290 -8.706 -5.762 676 HH21 ARG 86 1HH2 ARG 86 3.830 -6.928 -7.375 677 HH22 ARG 86 2HH2 ARG 86 2.901 -8.390 -7.354 678 H HIS 87 H HIS 87 0.298 -4.204 0.228 679 HA HIS 87 HA HIS 87 -1.879 -6.164 -0.059 680 HB2 HIS 87 2HB HIS 87 -2.315 -3.556 1.323 681 HB3 HIS 87 1HB HIS 87 -3.020 -5.133 1.657 682 HD1 HIS 87 1HD HIS 87 -1.442 -6.842 2.976 683 HD2 HIS 87 2HD HIS 87 -0.159 -2.890 2.875 684 HE1 HIS 87 1HE HIS 87 0.289 -6.650 4.790 685 HE2 HIS 87 2HE HIS 87 0.988 -4.230 4.767 686 H MET 88 H MET 88 -2.868 -5.995 -1.966 687 HA MET 88 HA MET 88 -2.943 -3.440 -3.349 688 HB2 MET 88 2HB MET 88 -2.877 -6.152 -4.156 689 HB3 MET 88 1HB MET 88 -4.401 -5.488 -4.729 690 HG2 MET 88 2HG MET 88 -2.094 -3.756 -5.185 691 HG3 MET 88 1HG MET 88 -2.018 -5.305 -6.023 692 HE1 MET 88 3HE MET 88 -2.079 -4.948 -8.122 693 HE2 MET 88 1HE MET 88 -2.333 -3.258 -8.561 694 HE3 MET 88 2HE MET 88 -3.463 -4.494 -9.116 695 H PHE 89 H PHE 89 -4.637 -2.133 -3.458 696 HA PHE 89 HA PHE 89 -7.265 -3.152 -2.609 697 HB2 PHE 89 2HB PHE 89 -6.067 -0.457 -1.929 698 HB3 PHE 89 1HB PHE 89 -7.699 -0.979 -1.526 699 HD1 PHE 89 1HD PHE 89 -7.968 -2.983 0.004 700 HD2 PHE 89 2HD PHE 89 -4.274 -0.936 -0.520 701 HE1 PHE 89 1HE PHE 89 -7.141 -3.943 2.113 702 HE2 PHE 89 2HE PHE 89 -3.440 -1.893 1.588 703 HZ PHE 89 HZ PHE 89 -4.874 -3.399 2.907 704 H SER 90 H SER 90 -9.061 -1.604 -3.305 705 HA SER 90 HA SER 90 -8.423 -0.289 -5.849 706 HB2 SER 90 2HB SER 90 -9.218 -2.356 -6.646 707 HB3 SER 90 1HB SER 90 -10.463 -2.458 -5.402 708 HG SER 90 HG SER 90 -10.611 -1.374 -7.853 709 H PHE 91 H PHE 91 -9.160 1.716 -5.842 710 HA PHE 91 HA PHE 91 -11.353 2.415 -4.023 711 HB2 PHE 91 2HB PHE 91 -9.186 4.053 -5.331 712 HB3 PHE 91 1HB PHE 91 -10.571 4.795 -4.536 713 HD1 PHE 91 2HD PHE 91 -8.222 2.001 -3.734 714 HD2 PHE 91 1HD PHE 91 -10.081 5.607 -2.455 715 HE1 PHE 91 2HE PHE 91 -7.074 1.820 -1.567 716 HE2 PHE 91 1HE PHE 91 -8.939 5.435 -0.288 717 HZ PHE 91 HZ PHE 91 -7.431 3.538 0.161 718 H ASN 92 H ASN 92 -12.996 3.939 -4.774 719 HA ASN 92 HA ASN 92 -13.458 3.767 -7.678 720 HB2 ASN 92 2HB ASN 92 -14.901 2.343 -5.896 721 HB3 ASN 92 1HB ASN 92 -15.837 3.835 -5.916 722 HD21 ASN 92 1HD2 ASN 92 -14.459 1.340 -7.990 723 HD22 ASN 92 2HD2 ASN 92 -15.656 1.458 -9.231 724 H ASN 93 H ASN 93 -12.229 5.961 -6.932 725 HA ASN 93 HA ASN 93 -13.899 8.049 -7.694 726 HB2 ASN 93 2HB ASN 93 -14.141 7.413 -4.908 727 HB3 ASN 93 1HB ASN 93 -13.388 8.997 -5.067 728 HD21 ASN 93 1HD2 ASN 93 -16.265 7.289 -5.055 729 HD22 ASN 93 2HD2 ASN 93 -17.310 8.538 -5.658 730 H ARG 94 H ARG 94 -12.831 10.164 -7.601 731 HA ARG 94 HA ARG 94 -9.966 9.848 -7.886 732 HB2 ARG 94 2HB ARG 94 -10.100 12.269 -8.621 733 HB3 ARG 94 1HB ARG 94 -10.983 11.115 -9.610 734 HG2 ARG 94 2HG ARG 94 -13.058 11.817 -8.769 735 HG3 ARG 94 1HG ARG 94 -12.312 12.676 -7.420 736 HD2 ARG 94 2HD ARG 94 -12.929 14.363 -8.920 737 HD3 ARG 94 1HD ARG 94 -11.202 14.138 -9.195 738 HE ARG 94 HE ARG 94 -12.564 12.489 -10.979 739 HH11 ARG 94 1HH1 ARG 94 -12.161 15.899 -10.357 740 HH12 ARG 94 2HH1 ARG 94 -12.398 16.356 -12.010 741 HH21 ARG 94 1HH2 ARG 94 -12.874 13.088 -13.154 742 HH22 ARG 94 2HH2 ARG 94 -12.803 14.760 -13.598 743 H THR 95 H THR 95 -12.236 11.499 -5.768 744 HA THR 95 HA THR 95 -10.188 12.895 -4.324 745 HB THR 95 HB THR 95 -13.084 12.828 -4.386 746 HG1 THR 95 1HG THR 95 -11.113 14.725 -3.701 747 HG21 THR 95 3HG2 THR 95 -13.263 13.834 -2.066 748 HG22 THR 95 1HG2 THR 95 -11.729 13.031 -1.730 749 HG23 THR 95 2HG2 THR 95 -13.143 12.077 -2.176 750 H VAL 96 H VAL 96 -12.071 9.960 -3.890 751 HA VAL 96 HA VAL 96 -11.448 9.403 -1.229 752 HB VAL 96 HB VAL 96 -13.137 8.159 -2.523 753 HG11 VAL 96 1HG1 VAL 96 -11.741 7.979 -4.591 754 HG12 VAL 96 2HG1 VAL 96 -12.560 6.491 -4.119 755 HG13 VAL 96 3HG1 VAL 96 -10.838 6.692 -3.796 756 HG21 VAL 96 3HG2 VAL 96 -12.799 6.912 -0.676 757 HG22 VAL 96 1HG2 VAL 96 -11.049 6.884 -0.887 758 HG23 VAL 96 2HG2 VAL 96 -12.066 5.781 -1.814 759 H MET 97 H MET 97 -9.717 8.513 -4.199 760 HA MET 97 HA MET 97 -7.696 6.998 -2.972 761 HB2 MET 97 2HB MET 97 -6.401 7.518 -5.086 762 HB3 MET 97 1HB MET 97 -7.971 6.759 -5.313 763 HG2 MET 97 2HG MET 97 -8.955 8.776 -6.024 764 HG3 MET 97 1HG MET 97 -7.580 9.729 -5.470 765 HE1 MET 97 3HE MET 97 -5.682 10.158 -6.401 766 HE2 MET 97 1HE MET 97 -5.416 10.200 -8.144 767 HE3 MET 97 2HE MET 97 -4.790 8.857 -7.188 768 H ASP 98 H ASP 98 -8.048 10.406 -3.554 769 HA ASP 98 HA ASP 98 -5.374 11.138 -2.915 770 HB2 ASP 98 2HB ASP 98 -7.959 12.639 -3.191 771 HB3 ASP 98 1HB ASP 98 -6.535 13.445 -2.538 772 H ASN 99 H ASN 99 -8.275 10.607 -1.053 773 HA ASN 99 HA ASN 99 -7.509 11.926 1.314 774 HB2 ASN 99 2HB ASN 99 -9.501 9.826 0.601 775 HB3 ASN 99 1HB ASN 99 -9.110 10.043 2.304 776 HD21 ASN 99 1HD2 ASN 99 -10.934 11.138 -0.297 777 HD22 ASN 99 2HD2 ASN 99 -11.563 12.585 0.427 778 H ILE 100 H ILE 100 -6.997 8.618 0.175 779 HA ILE 100 HA ILE 100 -5.590 7.885 2.602 780 HB ILE 100 HB ILE 100 -5.957 6.316 0.047 781 HG12 ILE 100 2HG1 ILE 100 -8.078 6.891 1.227 782 HG13 ILE 100 1HG1 ILE 100 -7.750 5.162 1.181 783 HG21 ILE 100 1HG2 ILE 100 -5.281 4.383 1.320 784 HG22 ILE 100 2HG2 ILE 100 -5.120 5.358 2.780 785 HG23 ILE 100 3HG2 ILE 100 -4.025 5.616 1.423 786 HD11 ILE 100 3HD1 ILE 100 -7.285 6.986 3.525 787 HD12 ILE 100 1HD1 ILE 100 -6.936 5.258 3.478 788 HD13 ILE 100 2HD1 ILE 100 -8.601 5.826 3.344 789 H LYS 101 H LYS 101 -4.807 8.280 -0.845 790 HA LYS 101 HA LYS 101 -2.111 7.649 -0.742 791 HB2 LYS 101 2HB LYS 101 -3.346 7.987 -2.832 792 HB3 LYS 101 1HB LYS 101 -3.469 9.707 -2.490 793 HG2 LYS 101 2HG LYS 101 -0.754 8.525 -2.554 794 HG3 LYS 101 1HG LYS 101 -1.609 8.697 -4.088 795 HD2 LYS 101 2HD LYS 101 -1.652 11.035 -2.276 796 HD3 LYS 101 1HD LYS 101 -0.101 10.641 -3.020 797 HE2 LYS 101 2HE LYS 101 -1.236 10.629 -5.233 798 HE3 LYS 101 1HE LYS 101 -2.707 11.182 -4.435 799 HZ1 LYS 101 3HZ LYS 101 -0.156 12.666 -4.226 800 HZ2 LYS 101 1HZ LYS 101 -1.719 13.217 -3.885 801 HZ3 LYS 101 2HZ LYS 101 -1.250 12.939 -5.486 802 H MET 102 H MET 102 -3.713 10.705 -0.001 803 HA MET 102 HA MET 102 -1.208 12.079 0.397 804 HB2 MET 102 2HB MET 102 -4.061 12.928 0.890 805 HB3 MET 102 1HB MET 102 -2.666 13.973 1.124 806 HG2 MET 102 2HG MET 102 -2.114 13.476 -1.320 807 HG3 MET 102 1HG MET 102 -3.760 12.853 -1.429 808 HE1 MET 102 3HE MET 102 -4.198 14.125 -3.206 809 HE2 MET 102 1HE MET 102 -4.074 15.873 -3.405 810 HE3 MET 102 2HE MET 102 -5.528 15.167 -2.700 811 H THR 103 H THR 103 -3.515 10.393 2.348 812 HA THR 103 HA THR 103 -2.513 11.492 4.830 813 HB THR 103 HB THR 103 -4.523 9.309 4.263 814 HG1 THR 103 1HG THR 103 -6.000 10.842 4.644 815 HG21 THR 103 3HG2 THR 103 -4.928 10.308 6.836 816 HG22 THR 103 1HG2 THR 103 -3.209 9.929 6.733 817 HG23 THR 103 2HG2 THR 103 -4.409 8.686 6.379 818 H LEU 104 H LEU 104 -2.459 8.311 3.224 819 HA LEU 104 HA LEU 104 -1.047 6.909 5.148 820 HB2 LEU 104 2HB LEU 104 -1.622 6.605 2.311 821 HB3 LEU 104 1HB LEU 104 -0.054 5.945 2.736 822 HG LEU 104 HG LEU 104 -1.026 4.429 4.312 823 HD11 LEU 104 1HD1 LEU 104 -2.808 5.088 5.461 824 HD12 LEU 104 2HD1 LEU 104 -3.781 4.650 4.058 825 HD13 LEU 104 3HD1 LEU 104 -3.221 6.310 4.258 826 HD21 LEU 104 3HD2 LEU 104 -2.783 3.299 2.784 827 HD22 LEU 104 1HD2 LEU 104 -1.117 3.443 2.221 828 HD23 LEU 104 2HD2 LEU 104 -2.346 4.562 1.632 829 H GLN 105 H GLN 105 0.209 8.808 2.427 830 HA GLN 105 HA GLN 105 2.920 8.411 2.768 831 HB2 GLN 105 2HB GLN 105 1.269 10.167 1.298 832 HB3 GLN 105 1HB GLN 105 2.437 11.177 2.140 833 HG2 GLN 105 2HG GLN 105 4.255 9.807 1.202 834 HG3 GLN 105 1HG GLN 105 3.057 8.872 0.309 835 HE21 GLN 105 1HE2 GLN 105 1.676 10.091 -1.189 836 HE22 GLN 105 2HE2 GLN 105 2.372 11.433 -2.043 837 H GLN 106 H GLN 106 0.726 10.343 4.652 838 HA GLN 106 HA GLN 106 2.605 11.944 6.006 839 HB2 GLN 106 2HB GLN 106 0.015 10.923 7.169 840 HB3 GLN 106 1HB GLN 106 0.874 12.394 7.603 841 HG2 GLN 106 2HG GLN 106 -0.574 11.821 5.033 842 HG3 GLN 106 1HG GLN 106 -1.023 12.980 6.283 843 HE21 GLN 106 1HE2 GLN 106 1.096 12.295 3.626 844 HE22 GLN 106 2HE2 GLN 106 1.743 13.898 3.460 845 H ILE 107 H ILE 107 1.504 8.690 6.450 846 HA ILE 107 HA ILE 107 2.878 8.335 8.977 847 HB ILE 107 HB ILE 107 1.450 6.363 7.184 848 HG12 ILE 107 2HG1 ILE 107 0.035 6.471 9.501 849 HG13 ILE 107 1HG1 ILE 107 0.631 8.125 9.410 850 HG21 ILE 107 1HG2 ILE 107 2.712 5.990 9.890 851 HG22 ILE 107 2HG2 ILE 107 3.104 5.154 8.388 852 HG23 ILE 107 3HG2 ILE 107 1.556 4.862 9.182 853 HD11 ILE 107 3HD1 ILE 107 -1.320 6.712 7.706 854 HD12 ILE 107 1HD1 ILE 107 -0.257 7.876 6.916 855 HD13 ILE 107 2HD1 ILE 107 -1.287 8.389 8.252 856 H ILE 108 H ILE 108 3.255 7.514 5.600 857 HA ILE 108 HA ILE 108 5.334 5.716 5.592 858 HB ILE 108 HB ILE 108 5.058 8.063 3.709 859 HG12 ILE 108 2HG1 ILE 108 2.957 6.825 3.915 860 HG13 ILE 108 1HG1 ILE 108 3.676 6.614 2.327 861 HG21 ILE 108 1HG2 ILE 108 6.295 5.355 3.273 862 HG22 ILE 108 2HG2 ILE 108 7.175 6.867 3.503 863 HG23 ILE 108 3HG2 ILE 108 6.152 6.648 2.082 864 HD11 ILE 108 3HD1 ILE 108 3.765 4.642 4.593 865 HD12 ILE 108 1HD1 ILE 108 4.520 4.427 3.013 866 HD13 ILE 108 2HD1 ILE 108 2.765 4.535 3.145 867 H SER 109 H SER 109 5.716 9.222 5.203 868 HA SER 109 HA SER 109 8.495 9.262 5.582 869 HB2 SER 109 2HB SER 109 6.503 11.488 6.064 870 HB3 SER 109 1HB SER 109 8.244 11.692 5.869 871 HG SER 109 HG SER 109 7.159 12.073 3.912 872 H ARG 110 H ARG 110 5.906 9.090 7.842 873 HA ARG 110 HA ARG 110 6.991 10.216 10.123 874 HB2 ARG 110 2HB ARG 110 4.728 8.769 9.518 875 HB3 ARG 110 1HB ARG 110 5.575 7.703 10.630 876 HG2 ARG 110 2HG ARG 110 5.711 9.571 12.245 877 HG3 ARG 110 1HG ARG 110 4.749 10.550 11.136 878 HD2 ARG 110 2HD ARG 110 3.541 7.958 11.659 879 HD3 ARG 110 1HD ARG 110 3.782 8.896 13.133 880 HE ARG 110 HE ARG 110 1.835 9.366 11.138 881 HH11 ARG 110 1HH1 ARG 110 4.004 11.054 13.289 882 HH12 ARG 110 2HH1 ARG 110 3.012 12.471 13.379 883 HH21 ARG 110 1HH2 ARG 110 0.529 11.228 11.256 884 HH22 ARG 110 2HH2 ARG 110 1.039 12.570 12.225 885 H TYR 111 H TYR 111 7.854 7.267 8.511 886 HA TYR 111 HA TYR 111 9.453 6.367 10.787 887 HB2 TYR 111 2HB TYR 111 9.163 4.992 8.116 888 HB3 TYR 111 1HB TYR 111 9.698 4.291 9.640 889 HD1 TYR 111 2HD TYR 111 7.833 4.714 11.605 890 HD2 TYR 111 1HD TYR 111 7.066 4.347 7.437 891 HE1 TYR 111 2HE TYR 111 5.528 4.014 12.097 892 HE2 TYR 111 1HE TYR 111 4.758 3.648 7.917 893 HH TYR 111 HH TYR 111 3.719 2.725 10.994 894 H LYS 112 H LYS 112 9.798 7.520 7.477 895 HA LYS 112 HA LYS 112 12.573 7.089 7.226 896 HB2 LYS 112 2HB LYS 112 11.124 9.351 5.875 897 HB3 LYS 112 1HB LYS 112 12.469 8.394 5.271 898 HG2 LYS 112 2HG LYS 112 10.869 6.421 5.274 899 HG3 LYS 112 1HG LYS 112 9.585 7.609 5.509 900 HD2 LYS 112 2HD LYS 112 9.545 7.657 3.259 901 HD3 LYS 112 1HD LYS 112 10.941 8.721 3.442 902 HE2 LYS 112 2HE LYS 112 11.358 5.769 3.351 903 HE3 LYS 112 1HE LYS 112 11.038 6.638 1.850 904 HZ1 LYS 112 3HZ LYS 112 13.384 6.702 3.568 905 HZ2 LYS 112 1HZ LYS 112 12.916 8.185 2.900 906 HZ3 LYS 112 2HZ LYS 112 13.265 6.874 1.889 907 H ASP 113 H ASP 113 10.732 9.990 8.143 908 HA ASP 113 HA ASP 113 12.875 11.720 8.526 909 HB2 ASP 113 2HB ASP 113 11.371 13.034 9.938 910 HB3 ASP 113 1HB ASP 113 10.523 12.446 8.511 911 H ALA 114 H ALA 114 11.429 9.389 10.752 912 HA ALA 114 HA ALA 114 13.082 10.148 12.965 913 HB1 ALA 114 1HB ALA 114 12.200 7.730 13.699 914 HB2 ALA 114 2HB ALA 114 11.023 8.095 12.438 915 HB3 ALA 114 3HB ALA 114 11.214 9.188 13.809 916 H ASP 115 H ASP 115 13.044 7.399 10.710 917 HA ASP 115 HA ASP 115 15.282 6.072 11.769 918 HB2 ASP 115 2HB ASP 115 13.802 5.995 9.181 919 HB3 ASP 115 1HB ASP 115 15.390 5.235 9.247 920 H TYR 90 1HT TYR 90 4.065 -5.592 -17.152 921 HA TYR 90 HA TYR 90 5.231 -2.924 -16.836 922 HB2 TYR 90 2HB TYR 90 3.430 -4.300 -18.838 923 HB3 TYR 90 1HB TYR 90 3.749 -2.569 -18.857 924 HD1 TYR 90 1HD TYR 90 5.451 -5.874 -19.024 925 HD2 TYR 90 2HD TYR 90 5.624 -1.730 -19.972 926 HE1 TYR 90 1HE TYR 90 7.478 -6.270 -20.359 927 HE2 TYR 90 2HE TYR 90 7.650 -2.115 -21.310 928 HH TYR 90 HH TYR 90 8.706 -5.224 -22.197 929 H ASP 91 H ASP 91 4.030 -3.448 -14.568 930 HA ASP 91 HA ASP 91 1.196 -2.809 -14.726 931 HB2 ASP 91 2HB ASP 91 3.038 -3.810 -12.622 932 HB3 ASP 91 1HB ASP 91 1.654 -2.863 -12.084 933 H SER 92 H SER 92 3.607 -0.903 -15.256 934 HA SER 92 HA SER 92 3.113 1.156 -13.268 935 HB2 SER 92 2HB SER 92 4.784 1.673 -15.685 936 HB3 SER 92 1HB SER 92 5.038 2.176 -14.013 937 HG SER 92 HG SER 92 6.513 0.546 -14.679 938 H GLU 93 H GLU 93 2.291 0.398 -16.572 939 HA GLU 93 HA GLU 93 1.426 2.935 -17.411 940 HB2 GLU 93 2HB GLU 93 0.953 0.132 -18.286 941 HB3 GLU 93 1HB GLU 93 -0.163 1.359 -18.870 942 HG2 GLU 93 2HG GLU 93 1.987 2.643 -19.529 943 HG3 GLU 93 1HG GLU 93 2.763 1.067 -19.384 944 H GLU 94 H GLU 94 -0.103 0.467 -15.472 945 HA GLU 94 HA GLU 94 -2.533 2.126 -15.320 946 HB2 GLU 94 2HB GLU 94 -2.705 -0.268 -16.199 947 HB3 GLU 94 1HB GLU 94 -2.358 -0.782 -14.554 948 HG2 GLU 94 2HG GLU 94 -4.354 0.851 -13.999 949 HG3 GLU 94 1HG GLU 94 -4.786 0.503 -15.672 950 H PHE 95 H PHE 95 0.036 2.320 -13.771 951 HA PHE 95 HA PHE 95 -1.122 2.842 -11.236 952 HB2 PHE 95 2HB PHE 95 -0.093 0.193 -11.641 953 HB3 PHE 95 1HB PHE 95 0.913 1.028 -10.462 954 HD1 PHE 95 2HD PHE 95 -0.296 2.184 -8.511 955 HD2 PHE 95 1HD PHE 95 -2.099 -0.762 -10.997 956 HE1 PHE 95 2HE PHE 95 -1.976 1.747 -6.767 957 HE2 PHE 95 1HE PHE 95 -3.783 -1.204 -9.258 958 HZ PHE 95 HZ PHE 95 -3.722 0.050 -7.140 959 H GLU 96 H GLU 96 0.055 4.337 -10.173 960 HA GLU 96 HA GLU 96 2.635 5.074 -11.351 961 HB2 GLU 96 2HB GLU 96 0.531 6.651 -10.877 962 HB3 GLU 96 1HB GLU 96 1.316 6.790 -9.310 963 HG2 GLU 96 2HG GLU 96 3.399 7.168 -11.041 964 HG3 GLU 96 1HG GLU 96 2.054 7.928 -11.891 965 H ASP 97 H ASP 97 4.346 5.842 -9.885 966 HA ASP 97 HA ASP 97 4.555 4.057 -7.579 967 HB2 ASP 97 2HB ASP 97 6.974 4.677 -7.640 968 HB3 ASP 97 1HB ASP 97 6.400 3.930 -9.128 969 H VAL 98 H VAL 98 5.599 4.888 -5.602 970 HA VAL 98 HA VAL 98 5.093 7.742 -5.118 971 HB VAL 98 HB VAL 98 4.388 5.733 -3.005 972 HG11 VAL 98 1HG1 VAL 98 4.287 7.748 -1.984 973 HG12 VAL 98 2HG1 VAL 98 2.678 7.773 -2.706 974 HG13 VAL 98 3HG1 VAL 98 4.009 8.621 -3.491 975 HG21 VAL 98 3HG2 VAL 98 2.090 5.686 -3.728 976 HG22 VAL 98 1HG2 VAL 98 3.117 5.133 -5.052 977 HG23 VAL 98 2HG2 VAL 98 2.451 6.766 -5.074 978 H THR 99 H THR 99 6.079 8.452 -2.992 979 HA THR 99 HA THR 99 8.791 8.110 -2.952 980 HB THR 99 HB THR 99 7.600 9.883 -1.728 981 HG1 THR 99 1HG THR 99 9.374 10.028 -0.653 982 HG21 THR 99 3HG2 THR 99 6.182 7.815 -0.527 983 HG22 THR 99 1HG2 THR 99 6.104 9.534 -0.140 984 HG23 THR 99 2HG2 THR 99 7.204 8.480 0.748 985 H ASP 100 H ASP 100 9.827 6.219 -2.872 986 HA ASP 100 HA ASP 100 8.891 4.105 -1.099 987 HB2 ASP 100 2HB ASP 100 11.182 4.080 -3.074 988 HB3 ASP 100 1HB ASP 100 10.506 2.682 -2.244 989 H GLY 101 H GLY 101 10.822 2.798 -0.081 990 HA2 GLY 101 2HA GLY 101 11.928 4.446 1.934 991 HA3 GLY 101 1HA GLY 101 12.331 2.759 1.650 992 H ASN 102 H ASN 102 14.517 3.279 2.191 993 HA ASN 102 HA ASN 102 15.990 5.127 0.547 994 HB2 ASN 102 2HB ASN 102 16.538 4.674 2.948 995 HB3 ASN 102 1HB ASN 102 17.063 3.060 2.477 996 HD21 ASN 102 1HD2 ASN 102 19.004 2.789 1.469 997 HD22 ASN 102 2HD2 ASN 102 20.155 4.061 1.263 998 H GLU 103 H GLU 103 17.758 4.560 -0.831 999 HA GLU 103 HA GLU 103 18.085 1.822 -1.671 1000 HB2 GLU 103 2HB GLU 103 16.071 2.501 -2.923 1001 HB3 GLU 103 1HB GLU 103 16.962 3.852 -3.611 1002 HG2 GLU 103 2HG GLU 103 18.266 2.480 -4.947 1003 HG3 GLU 103 1HG GLU 103 17.941 1.051 -3.967 1004 H VAL 104 H VAL 104 18.639 5.192 -2.692 1005 HA VAL 104 HA VAL 104 21.506 4.585 -2.867 1006 HB VAL 104 HB VAL 104 21.622 6.062 -4.910 1007 HG11 VAL 104 1HG1 VAL 104 20.488 4.168 -6.372 1008 HG12 VAL 104 2HG1 VAL 104 20.442 3.338 -4.816 1009 HG13 VAL 104 3HG1 VAL 104 21.982 3.883 -5.479 1010 HG21 VAL 104 3HG2 VAL 104 19.367 7.066 -4.593 1011 HG22 VAL 104 1HG2 VAL 104 18.660 5.521 -5.064 1012 HG23 VAL 104 2HG2 VAL 104 19.641 6.430 -6.214 Start of MODEL 2 1 H2 PRO 1 1HT PRO 1 -11.975 13.622 9.005 2 H3 PRO 1 2HT PRO 1 -12.222 12.387 10.063 3 HA PRO 1 HA PRO 1 -12.301 10.903 8.604 4 HB2 PRO 1 2HB PRO 1 -13.371 12.043 6.237 5 HB3 PRO 1 1HB PRO 1 -14.169 10.928 7.355 6 HG2 PRO 1 2HG PRO 1 -14.302 13.892 7.220 7 HG3 PRO 1 1HG PRO 1 -15.539 12.730 7.733 8 HD2 PRO 1 2HD PRO 1 -14.249 14.218 9.530 9 HD3 PRO 1 1HD PRO 1 -14.629 12.518 9.872 10 H SER 2 H SER 2 -10.170 12.686 9.002 11 HA SER 2 HA SER 2 -9.067 13.128 6.321 12 HB2 SER 2 2HB SER 2 -8.364 14.199 9.044 13 HB3 SER 2 1HB SER 2 -7.224 14.311 7.703 14 HG SER 2 HG SER 2 -9.248 15.912 8.233 15 H HIS 3 H HIS 3 -9.325 10.471 7.494 16 HA HIS 3 HA HIS 3 -6.816 9.421 6.807 17 HB2 HIS 3 2HB HIS 3 -5.966 8.663 8.941 18 HB3 HIS 3 1HB HIS 3 -6.164 10.411 8.992 19 HD1 HIS 3 1HD HIS 3 -9.082 10.686 9.757 20 HD2 HIS 3 2HD HIS 3 -6.534 7.887 11.471 21 HE1 HIS 3 1HE HIS 3 -10.108 10.116 11.981 22 HE2 HIS 3 2HE HIS 3 -8.596 8.355 12.960 23 H SER 4 H SER 4 -9.310 8.797 5.984 24 HA SER 4 HA SER 4 -9.427 6.021 6.316 25 HB2 SER 4 2HB SER 4 -11.547 5.796 7.571 26 HB3 SER 4 1HB SER 4 -10.270 6.507 8.558 27 HG SER 4 HG SER 4 -12.661 7.551 7.819 28 H GLY 5 H GLY 5 -10.415 5.208 4.572 29 HA2 GLY 5 2HA GLY 5 -12.676 6.624 3.385 30 HA3 GLY 5 1HA GLY 5 -11.242 6.442 2.382 31 H ALA 6 H ALA 6 -13.792 5.352 1.755 32 HA ALA 6 HA ALA 6 -13.887 2.598 2.475 33 HB1 ALA 6 1HB ALA 6 -15.324 4.296 0.482 34 HB2 ALA 6 2HB ALA 6 -15.955 3.423 1.878 35 HB3 ALA 6 3HB ALA 6 -15.482 2.540 0.426 36 H ALA 7 H ALA 7 -12.239 1.323 1.946 37 HA ALA 7 HA ALA 7 -11.174 1.469 -0.799 38 HB1 ALA 7 1HB ALA 7 -9.603 1.888 1.146 39 HB2 ALA 7 2HB ALA 7 -9.106 0.640 -0.000 40 HB3 ALA 7 3HB ALA 7 -9.806 0.182 1.552 41 H ILE 8 H ILE 8 -10.674 -0.511 -1.895 42 HA ILE 8 HA ILE 8 -12.501 -2.673 -1.145 43 HB ILE 8 HB ILE 8 -11.334 -1.786 -3.748 44 HG12 ILE 8 2HG1 ILE 8 -13.990 -2.756 -3.936 45 HG13 ILE 8 1HG1 ILE 8 -13.889 -1.809 -2.457 46 HG21 ILE 8 1HG2 ILE 8 -12.195 -3.883 -4.792 47 HG22 ILE 8 2HG2 ILE 8 -12.342 -4.566 -3.173 48 HG23 ILE 8 3HG2 ILE 8 -10.757 -4.102 -3.794 49 HD11 ILE 8 3HD1 ILE 8 -14.571 -0.566 -4.510 50 HD12 ILE 8 1HD1 ILE 8 -12.925 -0.798 -5.098 51 HD13 ILE 8 2HD1 ILE 8 -13.212 0.110 -3.613 52 H PHE 9 H PHE 9 -11.839 -4.794 -0.948 53 HA PHE 9 HA PHE 9 -9.038 -5.474 -1.320 54 HB2 PHE 9 2HB PHE 9 -9.201 -4.577 1.003 55 HB3 PHE 9 1HB PHE 9 -10.377 -5.834 1.370 56 HD1 PHE 9 1HD PHE 9 -7.030 -5.688 -0.283 57 HD2 PHE 9 2HD PHE 9 -9.531 -7.554 2.611 58 HE1 PHE 9 1HE PHE 9 -5.199 -7.223 0.302 59 HE2 PHE 9 2HE PHE 9 -7.703 -9.093 3.203 60 HZ PHE 9 HZ PHE 9 -5.534 -8.929 2.048 61 H GLU 10 H GLU 10 -8.879 -7.469 -2.133 62 HA GLU 10 HA GLU 10 -9.394 -9.594 -2.764 63 HB2 GLU 10 2HB GLU 10 -11.355 -9.555 -0.461 64 HB3 GLU 10 1HB GLU 10 -10.743 -10.980 -1.290 65 HG2 GLU 10 2HG GLU 10 -8.446 -9.727 -0.478 66 HG3 GLU 10 1HG GLU 10 -9.560 -9.402 0.850 67 H LYS 11 H LYS 11 -10.803 -7.281 -3.821 68 HA LYS 11 HA LYS 11 -12.316 -6.992 -5.507 69 HB2 LYS 11 2HB LYS 11 -13.596 -9.638 -4.873 70 HB3 LYS 11 1HB LYS 11 -13.592 -8.761 -6.396 71 HG2 LYS 11 2HG LYS 11 -10.898 -9.275 -5.735 72 HG3 LYS 11 1HG LYS 11 -11.796 -10.771 -5.473 73 HD2 LYS 11 2HD LYS 11 -11.845 -9.112 -7.995 74 HD3 LYS 11 1HD LYS 11 -10.930 -10.605 -7.767 75 HE2 LYS 11 2HE LYS 11 -12.801 -11.923 -7.830 76 HE3 LYS 11 1HE LYS 11 -13.852 -10.647 -7.220 77 HZ1 LYS 11 3HZ LYS 11 -13.448 -9.535 -9.449 78 HZ2 LYS 11 1HZ LYS 11 -14.438 -10.908 -9.450 79 HZ3 LYS 11 2HZ LYS 11 -12.832 -11.021 -9.970 80 H VAL 12 H VAL 12 -12.968 -7.309 -2.273 81 HA VAL 12 HA VAL 12 -15.775 -6.511 -2.603 82 HB VAL 12 HB VAL 12 -15.275 -8.448 -1.091 83 HG11 VAL 12 1HG1 VAL 12 -14.573 -7.251 1.286 84 HG12 VAL 12 2HG1 VAL 12 -13.494 -6.497 0.115 85 HG13 VAL 12 3HG1 VAL 12 -13.531 -8.252 0.276 86 HG21 VAL 12 3HG2 VAL 12 -17.134 -6.472 -0.856 87 HG22 VAL 12 1HG2 VAL 12 -16.421 -6.486 0.757 88 HG23 VAL 12 2HG2 VAL 12 -17.121 -7.961 0.087 89 H SER 13 H SER 13 -16.556 -4.637 -1.570 90 HA SER 13 HA SER 13 -14.462 -2.652 -1.105 91 HB2 SER 13 2HB SER 13 -17.341 -1.889 -1.179 92 HB3 SER 13 1HB SER 13 -15.929 -1.023 -1.783 93 HG SER 13 HG SER 13 -17.536 -2.869 -3.036 94 H GLY 14 H GLY 14 -13.924 -2.066 0.858 95 HA2 GLY 14 2HA GLY 14 -15.921 -2.369 3.014 96 HA3 GLY 14 1HA GLY 14 -14.229 -2.795 3.233 97 H ILE 15 H ILE 15 -13.708 -1.357 4.814 98 HA ILE 15 HA ILE 15 -13.703 1.466 3.999 99 HB ILE 15 HB ILE 15 -14.197 0.673 6.852 100 HG12 ILE 15 2HG1 ILE 15 -16.001 -0.211 5.312 101 HG13 ILE 15 1HG1 ILE 15 -16.550 0.890 6.569 102 HG21 ILE 15 1HG2 ILE 15 -15.237 3.039 6.764 103 HG22 ILE 15 2HG2 ILE 15 -14.320 3.206 5.266 104 HG23 ILE 15 3HG2 ILE 15 -13.477 2.875 6.787 105 HD11 ILE 15 3HD1 ILE 15 -16.833 2.650 5.015 106 HD12 ILE 15 1HD1 ILE 15 -17.566 1.211 4.306 107 HD13 ILE 15 2HD1 ILE 15 -15.981 1.760 3.753 108 H ILE 16 H ILE 16 -11.704 2.206 3.993 109 HA ILE 16 HA ILE 16 -9.690 0.845 5.617 110 HB ILE 16 HB ILE 16 -9.666 2.205 3.033 111 HG12 ILE 16 2HG1 ILE 16 -7.777 0.314 4.441 112 HG13 ILE 16 1HG1 ILE 16 -9.059 -0.128 3.322 113 HG21 ILE 16 1HG2 ILE 16 -8.536 3.973 4.316 114 HG22 ILE 16 2HG2 ILE 16 -7.474 3.189 3.149 115 HG23 ILE 16 3HG2 ILE 16 -7.348 2.788 4.863 116 HD11 ILE 16 3HD1 ILE 16 -7.627 0.006 1.648 117 HD12 ILE 16 1HD1 ILE 16 -6.354 0.497 2.765 118 HD13 ILE 16 2HD1 ILE 16 -7.374 1.716 2.000 119 H ALA 17 H ALA 17 -9.021 1.721 7.449 120 HA ALA 17 HA ALA 17 -9.155 4.631 7.770 121 HB1 ALA 17 1HB ALA 17 -10.382 4.561 9.761 122 HB2 ALA 17 2HB ALA 17 -10.154 2.822 9.946 123 HB3 ALA 17 3HB ALA 17 -11.224 3.443 8.683 124 H ILE 18 H ILE 18 -7.337 5.419 8.557 125 HA ILE 18 HA ILE 18 -5.235 3.684 9.442 126 HB ILE 18 HB ILE 18 -5.342 6.703 9.402 127 HG12 ILE 18 2HG1 ILE 18 -3.712 6.069 7.371 128 HG13 ILE 18 1HG1 ILE 18 -4.745 4.644 7.343 129 HG21 ILE 18 1HG2 ILE 18 -2.925 4.908 9.520 130 HG22 ILE 18 2HG2 ILE 18 -3.629 5.718 10.920 131 HG23 ILE 18 3HG2 ILE 18 -2.956 6.669 9.596 132 HD11 ILE 18 3HD1 ILE 18 -6.614 5.851 6.763 133 HD12 ILE 18 1HD1 ILE 18 -5.338 6.700 5.891 134 HD13 ILE 18 2HD1 ILE 18 -5.966 7.362 7.401 135 H ASN 19 H ASN 19 -4.768 3.095 11.448 136 HA ASN 19 HA ASN 19 -6.270 4.222 13.664 137 HB2 ASN 19 2HB ASN 19 -5.578 1.681 13.141 138 HB3 ASN 19 1HB ASN 19 -4.196 2.145 14.129 139 HD21 ASN 19 1HD2 ASN 19 -4.719 0.864 15.850 140 HD22 ASN 19 2HD2 ASN 19 -6.085 1.154 16.865 141 H GLU 20 H GLU 20 -5.443 6.196 14.170 142 HA GLU 20 HA GLU 20 -2.562 6.506 14.481 143 HB2 GLU 20 2HB GLU 20 -4.889 8.403 14.454 144 HB3 GLU 20 1HB GLU 20 -3.335 8.914 15.099 145 HG2 GLU 20 2HG GLU 20 -2.264 8.481 12.986 146 HG3 GLU 20 1HG GLU 20 -3.761 7.823 12.327 147 H ASP 21 H ASP 21 -4.323 4.888 16.326 148 HA ASP 21 HA ASP 21 -3.991 6.352 18.833 149 HB2 ASP 21 2HB ASP 21 -6.039 4.794 18.013 150 HB3 ASP 21 1HB ASP 21 -5.064 3.588 18.848 151 H VAL 22 H VAL 22 -2.419 4.070 16.889 152 HA VAL 22 HA VAL 22 -0.972 2.833 19.100 153 HB VAL 22 HB VAL 22 0.112 1.470 17.341 154 HG11 VAL 22 1HG1 VAL 22 -2.322 1.144 18.379 155 HG12 VAL 22 2HG1 VAL 22 -1.627 0.023 17.209 156 HG13 VAL 22 3HG1 VAL 22 -2.763 1.261 16.674 157 HG21 VAL 22 3HG2 VAL 22 0.216 2.302 15.280 158 HG22 VAL 22 1HG2 VAL 22 -1.016 3.513 15.637 159 HG23 VAL 22 2HG2 VAL 22 -1.492 1.901 15.107 160 H SER 23 H SER 23 1.526 2.453 17.967 161 HA SER 23 HA SER 23 2.636 5.121 18.263 162 HB2 SER 23 2HB SER 23 3.609 2.371 18.642 163 HB3 SER 23 1HB SER 23 4.802 3.479 17.965 164 HG SER 23 HG SER 23 3.959 3.282 20.487 165 HA PRO 24 HA PRO 24 4.521 4.135 14.020 166 HB2 PRO 24 2HB PRO 24 4.205 1.754 12.852 167 HB3 PRO 24 1HB PRO 24 5.435 2.022 14.090 168 HG2 PRO 24 2HG PRO 24 2.753 0.726 14.322 169 HG3 PRO 24 1HG PRO 24 4.291 0.255 15.063 170 HD2 PRO 24 2HD PRO 24 2.303 1.649 16.359 171 HD3 PRO 24 1HD PRO 24 4.016 1.689 16.816 172 H ALA 25 H ALA 25 1.423 3.733 14.770 173 HA ALA 25 HA ALA 25 -0.580 4.129 13.763 174 HB1 ALA 25 1HB ALA 25 -0.540 5.967 12.506 175 HB2 ALA 25 2HB ALA 25 0.437 5.192 11.257 176 HB3 ALA 25 3HB ALA 25 1.216 5.910 12.669 177 H GLU 26 H GLU 26 -1.822 2.581 12.970 178 HA GLU 26 HA GLU 26 -0.779 0.908 10.782 179 HB2 GLU 26 2HB GLU 26 -2.925 0.208 12.790 180 HB3 GLU 26 1HB GLU 26 -2.199 -0.869 11.604 181 HG2 GLU 26 2HG GLU 26 -0.017 -0.562 12.749 182 HG3 GLU 26 1HG GLU 26 -0.852 0.369 13.992 183 H LEU 27 H LEU 27 -2.616 -0.156 9.514 184 HA LEU 27 HA LEU 27 -4.718 1.812 8.901 185 HB2 LEU 27 2HB LEU 27 -2.957 1.799 7.175 186 HB3 LEU 27 1HB LEU 27 -3.190 0.077 6.955 187 HG LEU 27 HG LEU 27 -5.709 1.385 6.603 188 HD11 LEU 27 1HD1 LEU 27 -3.746 2.385 4.592 189 HD12 LEU 27 2HD1 LEU 27 -3.996 3.284 6.089 190 HD13 LEU 27 3HD1 LEU 27 -5.352 2.991 4.999 191 HD21 LEU 27 3HD2 LEU 27 -5.813 0.099 4.701 192 HD22 LEU 27 1HD2 LEU 27 -4.634 -0.807 5.655 193 HD23 LEU 27 2HD2 LEU 27 -4.089 0.263 4.363 194 H THR 28 H THR 28 -6.588 0.896 9.593 195 HA THR 28 HA THR 28 -6.875 -2.015 9.339 196 HB THR 28 HB THR 28 -8.689 -0.224 10.928 197 HG1 THR 28 1HG THR 28 -6.221 -1.359 11.734 198 HG21 THR 28 3HG2 THR 28 -7.862 -3.024 11.577 199 HG22 THR 28 1HG2 THR 28 -9.218 -2.683 10.502 200 HG23 THR 28 2HG2 THR 28 -9.248 -2.108 12.170 201 H TRP 29 H TRP 29 -8.043 -2.793 7.737 202 HA TRP 29 HA TRP 29 -9.996 -1.115 6.390 203 HB2 TRP 29 2HB TRP 29 -8.443 -2.294 4.946 204 HB3 TRP 29 1HB TRP 29 -8.852 -3.831 5.705 205 HD1 TRP 29 HD TRP 29 -10.546 -1.093 3.598 206 HE1 TRP 29 1HE TRP 29 -12.371 -2.193 2.134 207 HE3 TRP 29 3HE TRP 29 -10.216 -5.856 5.385 208 HZ2 TRP 29 2HZ TRP 29 -13.516 -4.761 1.808 209 HZ3 TRP 29 3HZ TRP 29 -11.716 -7.576 4.462 210 HH2 TRP 29 HH TRP 29 -13.326 -7.038 2.711 211 H ARG 30 H ARG 30 -11.976 -1.147 7.246 212 HA ARG 30 HA ARG 30 -13.011 -3.704 8.286 213 HB2 ARG 30 2HB ARG 30 -14.119 -0.952 8.863 214 HB3 ARG 30 1HB ARG 30 -14.498 -2.456 9.690 215 HG2 ARG 30 2HG ARG 30 -11.664 -1.821 9.773 216 HG3 ARG 30 1HG ARG 30 -12.671 -0.567 10.499 217 HD2 ARG 30 2HD ARG 30 -13.342 -3.352 11.209 218 HD3 ARG 30 1HD ARG 30 -11.805 -2.744 11.824 219 HE ARG 30 HE ARG 30 -13.543 -0.777 12.466 220 HH11 ARG 30 1HH1 ARG 30 -13.551 -4.225 12.998 221 HH12 ARG 30 2HH1 ARG 30 -14.452 -4.122 14.473 222 HH21 ARG 30 1HH2 ARG 30 -14.729 -0.638 14.405 223 HH22 ARG 30 2HH2 ARG 30 -15.121 -2.085 15.272 224 H SER 31 H SER 31 -14.302 -4.710 6.886 225 HA SER 31 HA SER 31 -15.271 -3.763 4.518 226 HB2 SER 31 2HB SER 31 -16.262 -5.786 4.301 227 HB3 SER 31 1HB SER 31 -15.415 -6.153 5.802 228 HG SER 31 HG SER 31 -17.915 -6.375 5.483 229 H THR 32 H THR 32 -17.650 -3.526 3.898 230 HA THR 32 HA THR 32 -18.690 -1.273 5.301 231 HB THR 32 HB THR 32 -20.580 -2.340 3.450 232 HG1 THR 32 1HG THR 32 -17.964 -2.115 2.394 233 HG21 THR 32 3HG2 THR 32 -20.241 0.050 3.924 234 HG22 THR 32 1HG2 THR 32 -20.183 -0.329 2.203 235 HG23 THR 32 2HG2 THR 32 -18.688 -0.034 3.092 236 H ASP 33 H ASP 33 -19.614 -4.608 4.854 237 HA ASP 33 HA ASP 33 -21.982 -4.359 6.439 238 HB2 ASP 33 2HB ASP 33 -22.057 -6.878 6.212 239 HB3 ASP 33 1HB ASP 33 -22.080 -5.978 4.698 240 H GLY 34 H GLY 34 -18.695 -5.345 6.956 241 HA2 GLY 34 2HA GLY 34 -17.687 -5.210 9.115 242 HA3 GLY 34 1HA GLY 34 -19.261 -5.518 9.833 243 H ASP 35 H ASP 35 -18.140 -7.415 7.145 244 HA ASP 35 HA ASP 35 -17.846 -9.710 8.961 245 HB2 ASP 35 2HB ASP 35 -18.603 -9.657 6.033 246 HB3 ASP 35 1HB ASP 35 -18.408 -11.115 7.002 247 H LYS 36 H LYS 36 -16.197 -7.703 6.736 248 HA LYS 36 HA LYS 36 -13.953 -9.613 6.669 249 HB2 LYS 36 2HB LYS 36 -14.389 -7.411 4.660 250 HB3 LYS 36 1HB LYS 36 -13.297 -8.784 4.543 251 HG2 LYS 36 2HG LYS 36 -15.343 -10.257 4.530 252 HG3 LYS 36 1HG LYS 36 -16.293 -8.783 4.333 253 HD2 LYS 36 2HD LYS 36 -15.745 -8.592 2.169 254 HD3 LYS 36 1HD LYS 36 -14.048 -8.967 2.477 255 HE2 LYS 36 2HE LYS 36 -14.667 -10.769 1.196 256 HE3 LYS 36 1HE LYS 36 -14.962 -11.396 2.817 257 HZ1 LYS 36 3HZ LYS 36 -16.755 -11.560 0.913 258 HZ2 LYS 36 1HZ LYS 36 -17.167 -10.021 1.482 259 HZ3 LYS 36 2HZ LYS 36 -17.198 -11.346 2.532 260 H VAL 37 H VAL 37 -11.931 -8.909 7.197 261 HA VAL 37 HA VAL 37 -11.552 -6.086 7.827 262 HB VAL 37 HB VAL 37 -12.217 -7.825 9.844 263 HG11 VAL 37 1HG1 VAL 37 -9.227 -7.477 9.990 264 HG12 VAL 37 2HG1 VAL 37 -10.049 -8.991 9.610 265 HG13 VAL 37 3HG1 VAL 37 -10.266 -8.243 11.192 266 HG21 VAL 37 3HG2 VAL 37 -11.498 -6.046 11.349 267 HG22 VAL 37 1HG2 VAL 37 -12.302 -5.396 9.921 268 HG23 VAL 37 2HG2 VAL 37 -10.544 -5.329 10.050 269 H HIS 38 H HIS 38 -9.470 -5.372 7.585 270 HA HIS 38 HA HIS 38 -7.295 -7.273 7.274 271 HB2 HIS 38 2HB HIS 38 -8.505 -6.889 5.005 272 HB3 HIS 38 1HB HIS 38 -7.731 -5.308 5.040 273 HD1 HIS 38 1HD HIS 38 -6.532 -8.889 5.587 274 HD2 HIS 38 2HD HIS 38 -5.425 -5.380 3.655 275 HE1 HIS 38 1HE HIS 38 -4.366 -9.417 4.424 276 HE2 HIS 38 2HE HIS 38 -3.761 -7.304 3.189 277 H THR 39 H THR 39 -5.797 -6.458 8.578 278 HA THR 39 HA THR 39 -5.570 -3.553 8.858 279 HB THR 39 HB THR 39 -4.015 -5.472 10.540 280 HG1 THR 39 1HG THR 39 -5.797 -5.799 11.846 281 HG21 THR 39 3HG2 THR 39 -4.469 -2.727 10.622 282 HG22 THR 39 1HG2 THR 39 -3.715 -3.729 11.863 283 HG23 THR 39 2HG2 THR 39 -5.448 -3.404 11.924 284 H VAL 40 H VAL 40 -3.648 -2.454 8.619 285 HA VAL 40 HA VAL 40 -1.359 -3.898 7.487 286 HB VAL 40 HB VAL 40 -2.891 -1.693 6.200 287 HG11 VAL 40 1HG1 VAL 40 -0.869 -1.176 4.785 288 HG12 VAL 40 2HG1 VAL 40 0.094 -2.017 6.000 289 HG13 VAL 40 3HG1 VAL 40 -0.810 -0.569 6.441 290 HG21 VAL 40 3HG2 VAL 40 -3.250 -3.730 5.172 291 HG22 VAL 40 1HG2 VAL 40 -1.578 -4.244 5.408 292 HG23 VAL 40 2HG2 VAL 40 -1.966 -3.031 4.184 293 H VAL 41 H VAL 41 0.527 -3.232 8.288 294 HA VAL 41 HA VAL 41 0.414 -0.879 10.028 295 HB VAL 41 HB VAL 41 2.440 -3.121 9.992 296 HG11 VAL 41 1HG1 VAL 41 3.234 -2.011 12.126 297 HG12 VAL 41 2HG1 VAL 41 2.309 -0.593 11.630 298 HG13 VAL 41 3HG1 VAL 41 3.639 -1.174 10.628 299 HG21 VAL 41 3HG2 VAL 41 1.455 -3.336 12.380 300 HG22 VAL 41 1HG2 VAL 41 0.536 -3.969 11.013 301 HG23 VAL 41 2HG2 VAL 41 0.104 -2.412 11.722 302 H LEU 42 H LEU 42 0.934 0.907 9.038 303 HA LEU 42 HA LEU 42 2.373 1.221 6.706 304 HB2 LEU 42 2HB LEU 42 1.844 3.065 9.016 305 HB3 LEU 42 1HB LEU 42 2.776 3.595 7.628 306 HG LEU 42 HG LEU 42 0.503 4.324 7.361 307 HD11 LEU 42 1HD1 LEU 42 0.508 2.027 5.496 308 HD12 LEU 42 2HD1 LEU 42 1.906 3.102 5.459 309 HD13 LEU 42 3HD1 LEU 42 0.288 3.749 5.180 310 HD21 LEU 42 3HD2 LEU 42 -0.369 2.402 8.856 311 HD22 LEU 42 1HD2 LEU 42 -0.476 1.492 7.351 312 HD23 LEU 42 2HD2 LEU 42 -1.392 2.985 7.545 313 H SER 43 H SER 43 3.541 0.683 9.923 314 HA SER 43 HA SER 43 6.142 1.723 9.648 315 HB2 SER 43 2HB SER 43 4.672 0.303 11.623 316 HB3 SER 43 1HB SER 43 6.186 -0.563 11.365 317 HG SER 43 HG SER 43 5.923 2.204 11.942 318 H THR 44 H THR 44 4.695 -1.291 8.714 319 HA THR 44 HA THR 44 7.260 -2.431 7.936 320 HB THR 44 HB THR 44 6.204 -4.486 7.773 321 HG1 THR 44 1HG THR 44 3.806 -3.073 7.245 322 HG21 THR 44 3HG2 THR 44 4.549 -4.751 9.548 323 HG22 THR 44 1HG2 THR 44 4.395 -2.996 9.657 324 HG23 THR 44 2HG2 THR 44 5.923 -3.776 10.072 325 H ILE 45 H ILE 45 4.389 -1.059 6.573 326 HA ILE 45 HA ILE 45 4.452 -1.814 3.956 327 HB ILE 45 HB ILE 45 3.868 0.942 5.039 328 HG12 ILE 45 2HG1 ILE 45 2.354 -0.636 5.978 329 HG13 ILE 45 1HG1 ILE 45 1.485 0.149 4.663 330 HG21 ILE 45 1HG2 ILE 45 2.654 1.349 2.954 331 HG22 ILE 45 2HG2 ILE 45 3.203 -0.207 2.329 332 HG23 ILE 45 3HG2 ILE 45 4.370 1.074 2.656 333 HD11 ILE 45 3HD1 ILE 45 2.468 -1.941 3.330 334 HD12 ILE 45 1HD1 ILE 45 0.933 -1.988 4.194 335 HD13 ILE 45 2HD1 ILE 45 2.385 -2.645 4.945 336 H ASP 46 H ASP 46 6.245 -2.053 2.789 337 HA ASP 46 HA ASP 46 8.584 -0.544 2.990 338 HB2 ASP 46 2HB ASP 46 7.935 -2.823 1.711 339 HB3 ASP 46 1HB ASP 46 7.942 -1.715 0.342 340 H LYS 47 H LYS 47 5.849 -0.230 0.728 341 HA LYS 47 HA LYS 47 6.455 2.578 0.399 342 HB2 LYS 47 2HB LYS 47 6.284 0.969 -2.129 343 HB3 LYS 47 1HB LYS 47 6.888 2.603 -1.901 344 HG2 LYS 47 2HG LYS 47 8.841 1.705 -0.721 345 HG3 LYS 47 1HG LYS 47 8.237 0.068 -0.991 346 HD2 LYS 47 2HD LYS 47 8.595 1.900 -3.321 347 HD3 LYS 47 1HD LYS 47 10.009 1.119 -2.611 348 HE2 LYS 47 2HE LYS 47 9.175 -1.038 -3.074 349 HE3 LYS 47 1HE LYS 47 7.558 -0.423 -3.415 350 HZ1 LYS 47 3HZ LYS 47 8.158 0.276 -5.484 351 HZ2 LYS 47 1HZ LYS 47 9.200 -1.049 -5.334 352 HZ3 LYS 47 2HZ LYS 47 9.781 0.518 -5.075 353 H LEU 48 H LEU 48 4.818 3.688 -0.925 354 HA LEU 48 HA LEU 48 2.204 2.350 -0.686 355 HB2 LEU 48 2HB LEU 48 3.067 4.778 0.336 356 HB3 LEU 48 1HB LEU 48 2.169 5.244 -1.095 357 HG LEU 48 HG LEU 48 0.415 3.511 0.014 358 HD11 LEU 48 1HD1 LEU 48 0.384 3.599 2.340 359 HD12 LEU 48 2HD1 LEU 48 1.525 4.942 2.401 360 HD13 LEU 48 3HD1 LEU 48 2.084 3.330 1.958 361 HD21 LEU 48 3HD2 LEU 48 0.218 5.967 -0.726 362 HD22 LEU 48 1HD2 LEU 48 0.529 6.351 0.966 363 HD23 LEU 48 2HD2 LEU 48 -0.878 5.381 0.526 364 H GLN 49 H GLN 49 0.645 2.715 -2.392 365 HA GLN 49 HA GLN 49 1.781 3.708 -4.910 366 HB2 GLN 49 2HB GLN 49 0.772 0.973 -4.334 367 HB3 GLN 49 1HB GLN 49 0.365 1.671 -5.896 368 HG2 GLN 49 2HG GLN 49 2.712 2.000 -6.392 369 HG3 GLN 49 1HG GLN 49 3.153 1.383 -4.801 370 HE21 GLN 49 1HE2 GLN 49 3.557 -0.708 -4.614 371 HE22 GLN 49 2HE2 GLN 49 3.167 -1.923 -5.792 372 H ALA 50 H ALA 50 0.335 4.595 -6.350 373 HA ALA 50 HA ALA 50 -2.508 4.516 -5.828 374 HB1 ALA 50 1HB ALA 50 -1.761 6.275 -4.295 375 HB2 ALA 50 2HB ALA 50 -2.775 6.922 -5.585 376 HB3 ALA 50 3HB ALA 50 -1.025 7.135 -5.647 377 H THR 51 H THR 51 -3.623 4.671 -7.672 378 HA THR 51 HA THR 51 -2.386 4.639 -10.170 379 HB THR 51 HB THR 51 -4.788 5.246 -10.975 380 HG1 THR 51 1HG THR 51 -5.376 6.097 -8.876 381 HG21 THR 51 3HG2 THR 51 -3.632 2.844 -10.188 382 HG22 THR 51 1HG2 THR 51 -5.074 3.065 -11.178 383 HG23 THR 51 2HG2 THR 51 -5.226 2.863 -9.433 384 HA PRO 52 HA PRO 52 -1.163 9.003 -10.320 385 HB2 PRO 52 2HB PRO 52 -0.327 8.653 -12.966 386 HB3 PRO 52 1HB PRO 52 0.688 8.488 -11.529 387 HG2 PRO 52 2HG PRO 52 -0.774 6.375 -13.063 388 HG3 PRO 52 1HG PRO 52 0.871 6.335 -12.400 389 HD2 PRO 52 2HD PRO 52 -1.051 5.069 -11.153 390 HD3 PRO 52 1HD PRO 52 0.077 6.066 -10.205 391 H ALA 53 H ALA 53 -1.745 10.791 -11.740 392 HA ALA 53 HA ALA 53 -4.439 10.956 -12.331 393 HB1 ALA 53 1HB ALA 53 -3.528 12.860 -13.954 394 HB2 ALA 53 2HB ALA 53 -2.051 12.562 -13.037 395 HB3 ALA 53 3HB ALA 53 -3.530 13.032 -12.199 396 H SER 54 H SER 54 -1.912 9.517 -14.199 397 HA SER 54 HA SER 54 -3.258 9.675 -16.724 398 HB2 SER 54 2HB SER 54 -1.508 7.942 -17.386 399 HB3 SER 54 1HB SER 54 -0.892 9.499 -16.834 400 HG SER 54 HG SER 54 -0.177 7.221 -15.915 401 H SER 55 H SER 55 -3.417 7.609 -13.991 402 HA SER 55 HA SER 55 -4.701 5.458 -15.491 403 HB2 SER 55 2HB SER 55 -3.577 5.734 -12.736 404 HB3 SER 55 1HB SER 55 -4.839 4.532 -13.009 405 HG SER 55 HG SER 55 -3.544 3.501 -14.462 406 H GLU 56 H GLU 56 -6.721 6.087 -16.049 407 HA GLU 56 HA GLU 56 -8.427 7.716 -14.562 408 HB2 GLU 56 2HB GLU 56 -8.514 6.516 -17.036 409 HB3 GLU 56 1HB GLU 56 -9.807 5.698 -16.171 410 HG2 GLU 56 2HG GLU 56 -11.072 7.414 -16.801 411 HG3 GLU 56 1HG GLU 56 -10.252 8.312 -15.524 412 H LYS 57 H LYS 57 -7.652 4.384 -14.187 413 HA LYS 57 HA LYS 57 -9.998 3.763 -12.624 414 HB2 LYS 57 2HB LYS 57 -7.519 2.251 -13.398 415 HB3 LYS 57 1HB LYS 57 -8.639 1.615 -12.204 416 HG2 LYS 57 2HG LYS 57 -8.849 0.896 -14.675 417 HG3 LYS 57 1HG LYS 57 -10.303 1.260 -13.751 418 HD2 LYS 57 2HD LYS 57 -10.549 2.293 -15.876 419 HD3 LYS 57 1HD LYS 57 -10.207 3.581 -14.723 420 HE2 LYS 57 2HE LYS 57 -8.489 4.215 -15.976 421 HE3 LYS 57 1HE LYS 57 -7.721 2.654 -15.689 422 HZ1 LYS 57 3HZ LYS 57 -7.986 3.163 -18.059 423 HZ2 LYS 57 1HZ LYS 57 -9.667 3.209 -17.864 424 HZ3 LYS 57 2HZ LYS 57 -8.826 1.763 -17.615 425 H MET 58 H MET 58 -10.188 4.355 -10.572 426 HA MET 58 HA MET 58 -7.980 5.294 -9.031 427 HB2 MET 58 2HB MET 58 -10.905 5.070 -8.699 428 HB3 MET 58 1HB MET 58 -9.972 5.022 -7.210 429 HG2 MET 58 2HG MET 58 -9.896 7.226 -7.253 430 HG3 MET 58 1HG MET 58 -8.887 7.114 -8.693 431 HE1 MET 58 3HE MET 58 -11.175 7.135 -11.560 432 HE2 MET 58 1HE MET 58 -9.581 6.857 -10.851 433 HE3 MET 58 2HE MET 58 -10.117 8.501 -11.207 434 H MET 59 H MET 59 -6.499 3.885 -8.291 435 HA MET 59 HA MET 59 -7.359 1.771 -6.512 436 HB2 MET 59 2HB MET 59 -5.538 1.000 -8.778 437 HB3 MET 59 1HB MET 59 -6.368 -0.051 -7.640 438 HG2 MET 59 2HG MET 59 -8.511 0.548 -8.655 439 HG3 MET 59 1HG MET 59 -7.669 1.586 -9.805 440 HE1 MET 59 3HE MET 59 -5.411 -1.020 -11.641 441 HE2 MET 59 1HE MET 59 -5.314 0.445 -10.663 442 HE3 MET 59 2HE MET 59 -6.314 0.418 -12.116 443 H LEU 60 H LEU 60 -5.887 1.312 -4.953 444 HA LEU 60 HA LEU 60 -3.214 2.527 -5.224 445 HB2 LEU 60 2HB LEU 60 -5.188 2.731 -2.991 446 HB3 LEU 60 1HB LEU 60 -3.476 2.760 -2.619 447 HG LEU 60 HG LEU 60 -3.164 4.741 -3.980 448 HD11 LEU 60 1HD1 LEU 60 -5.518 5.792 -4.685 449 HD12 LEU 60 2HD1 LEU 60 -5.901 4.081 -4.878 450 HD13 LEU 60 3HD1 LEU 60 -4.550 4.788 -5.766 451 HD21 LEU 60 3HD2 LEU 60 -4.347 4.679 -1.566 452 HD22 LEU 60 1HD2 LEU 60 -5.576 5.543 -2.489 453 HD23 LEU 60 2HD2 LEU 60 -3.929 6.169 -2.411 454 H ARG 61 H ARG 61 -1.500 1.353 -4.471 455 HA ARG 61 HA ARG 61 -2.124 -1.330 -3.426 456 HB2 ARG 61 2HB ARG 61 -0.169 -0.376 -5.447 457 HB3 ARG 61 1HB ARG 61 0.361 -1.670 -4.381 458 HG2 ARG 61 2HG ARG 61 -1.816 -2.844 -5.044 459 HG3 ARG 61 1HG ARG 61 -1.887 -1.667 -6.357 460 HD2 ARG 61 2HD ARG 61 -0.199 -2.639 -7.488 461 HD3 ARG 61 1HD ARG 61 0.711 -2.999 -6.021 462 HE ARG 61 HE ARG 61 -1.585 -4.656 -6.240 463 HH11 ARG 61 1HH1 ARG 61 1.646 -4.225 -7.487 464 HH12 ARG 61 2HH1 ARG 61 1.853 -5.899 -7.878 465 HH21 ARG 61 1HH2 ARG 61 -1.315 -6.859 -6.753 466 HH22 ARG 61 2HH2 ARG 61 0.172 -7.395 -7.461 467 H LEU 62 H LEU 62 -0.733 -2.224 -1.842 468 HA LEU 62 HA LEU 62 0.939 -0.257 -0.424 469 HB2 LEU 62 2HB LEU 62 -1.470 -1.149 0.471 470 HB3 LEU 62 1HB LEU 62 -0.392 -2.310 1.211 471 HG LEU 62 HG LEU 62 0.339 -0.836 2.747 472 HD11 LEU 62 1HD1 LEU 62 0.252 1.322 0.655 473 HD12 LEU 62 2HD1 LEU 62 1.678 0.472 1.249 474 HD13 LEU 62 3HD1 LEU 62 0.785 1.550 2.321 475 HD21 LEU 62 3HD2 LEU 62 -2.041 0.685 1.725 476 HD22 LEU 62 1HD2 LEU 62 -1.282 0.918 3.300 477 HD23 LEU 62 2HD2 LEU 62 -2.061 -0.618 2.914 478 H ILE 63 H ILE 63 2.979 -0.938 -0.577 479 HA ILE 63 HA ILE 63 3.592 -3.773 -0.754 480 HB ILE 63 HB ILE 63 5.404 -1.353 -0.842 481 HG12 ILE 63 2HG1 ILE 63 3.958 -1.488 -2.786 482 HG13 ILE 63 1HG1 ILE 63 5.595 -1.945 -3.248 483 HG21 ILE 63 1HG2 ILE 63 7.111 -2.952 -1.681 484 HG22 ILE 63 2HG2 ILE 63 6.018 -4.273 -1.269 485 HG23 ILE 63 3HG2 ILE 63 6.654 -3.226 -0.001 486 HD11 ILE 63 3HD1 ILE 63 4.636 -4.363 -2.692 487 HD12 ILE 63 1HD1 ILE 63 4.478 -3.611 -4.279 488 HD13 ILE 63 2HD1 ILE 63 3.130 -3.561 -3.142 489 H GLY 64 H GLY 64 4.435 -4.992 0.848 490 HA2 GLY 64 2HA GLY 64 4.719 -3.707 3.474 491 HA3 GLY 64 1HA GLY 64 4.442 -5.418 3.196 492 H LYS 65 H LYS 65 6.360 -4.744 4.964 493 HA LYS 65 HA LYS 65 8.941 -4.481 3.768 494 HB2 LYS 65 2HB LYS 65 7.926 -4.215 6.325 495 HB3 LYS 65 1HB LYS 65 8.897 -5.676 6.436 496 HG2 LYS 65 2HG LYS 65 10.163 -3.673 7.040 497 HG3 LYS 65 1HG LYS 65 10.842 -4.485 5.629 498 HD2 LYS 65 2HD LYS 65 10.766 -2.517 4.585 499 HD3 LYS 65 1HD LYS 65 9.009 -2.677 4.577 500 HE2 LYS 65 2HE LYS 65 9.191 -0.656 5.615 501 HE3 LYS 65 1HE LYS 65 9.274 -1.710 7.025 502 HZ1 LYS 65 3HZ LYS 65 11.060 -0.340 7.363 503 HZ2 LYS 65 1HZ LYS 65 11.418 -0.189 5.716 504 HZ3 LYS 65 2HZ LYS 65 11.810 -1.613 6.539 505 H VAL 66 H VAL 66 10.432 -6.020 3.252 506 HA VAL 66 HA VAL 66 9.560 -8.795 3.360 507 HB VAL 66 HB VAL 66 9.776 -7.810 1.127 508 HG11 VAL 66 1HG1 VAL 66 12.526 -7.732 0.696 509 HG12 VAL 66 2HG1 VAL 66 12.260 -6.840 2.195 510 HG13 VAL 66 3HG1 VAL 66 11.405 -6.371 0.726 511 HG21 VAL 66 3HG2 VAL 66 11.152 -10.191 2.070 512 HG22 VAL 66 1HG2 VAL 66 11.801 -9.582 0.547 513 HG23 VAL 66 2HG2 VAL 66 10.087 -9.973 0.682 514 H ASP 67 H ASP 67 12.569 -8.832 2.431 515 HA ASP 67 HA ASP 67 14.155 -8.390 4.681 516 HB2 ASP 67 2HB ASP 67 12.784 -10.199 5.662 517 HB3 ASP 67 1HB ASP 67 13.293 -11.274 4.364 518 H GLU 68 H GLU 68 15.461 -7.620 2.973 519 HA GLU 68 HA GLU 68 16.576 -9.632 1.159 520 HB2 GLU 68 2HB GLU 68 16.663 -6.618 1.165 521 HB3 GLU 68 1HB GLU 68 17.639 -7.592 0.074 522 HG2 GLU 68 2HG GLU 68 15.247 -8.668 -0.422 523 HG3 GLU 68 1HG GLU 68 14.738 -7.051 0.060 524 H SER 69 H SER 69 17.251 -9.513 4.012 525 HA SER 69 HA SER 69 20.079 -8.735 3.885 526 HB2 SER 69 2HB SER 69 18.270 -8.074 5.780 527 HB3 SER 69 1HB SER 69 18.914 -9.559 6.479 528 HG SER 69 HG SER 69 20.577 -7.476 5.530 529 H LYS 70 H LYS 70 17.976 -11.436 4.041 530 HA LYS 70 HA LYS 70 20.266 -13.208 4.590 531 HB2 LYS 70 2HB LYS 70 17.329 -13.725 5.090 532 HB3 LYS 70 1HB LYS 70 18.629 -14.874 5.380 533 HG2 LYS 70 2HG LYS 70 18.503 -12.189 6.723 534 HG3 LYS 70 1HG LYS 70 17.754 -13.638 7.395 535 HD2 LYS 70 2HD LYS 70 20.075 -14.713 7.115 536 HD3 LYS 70 1HD LYS 70 20.663 -13.059 6.942 537 HE2 LYS 70 2HE LYS 70 19.046 -14.061 9.282 538 HE3 LYS 70 1HE LYS 70 20.806 -13.948 9.262 539 HZ1 LYS 70 3HZ LYS 70 19.238 -12.012 10.157 540 HZ2 LYS 70 1HZ LYS 70 19.353 -11.536 8.537 541 HZ3 LYS 70 2HZ LYS 70 20.753 -11.718 9.467 542 H LYS 71 H LYS 71 17.363 -12.720 2.642 543 HA LYS 71 HA LYS 71 16.754 -13.480 0.586 544 HB2 LYS 71 2HB LYS 71 19.706 -14.093 0.357 545 HB3 LYS 71 1HB LYS 71 18.566 -14.126 -0.981 546 HG2 LYS 71 2HG LYS 71 18.830 -11.643 0.646 547 HG3 LYS 71 1HG LYS 71 20.060 -12.031 -0.559 548 HD2 LYS 71 2HD LYS 71 17.920 -12.431 -2.070 549 HD3 LYS 71 1HD LYS 71 17.200 -11.305 -0.919 550 HE2 LYS 71 2HE LYS 71 18.008 -9.754 -2.343 551 HE3 LYS 71 1HE LYS 71 19.506 -10.024 -1.451 552 HZ1 LYS 71 3HZ LYS 71 20.443 -11.118 -3.176 553 HZ2 LYS 71 1HZ LYS 71 19.368 -10.173 -4.078 554 HZ3 LYS 71 2HZ LYS 71 18.985 -11.781 -3.718 555 H ARG 72 H ARG 72 16.345 -15.420 -0.651 556 HA ARG 72 HA ARG 72 17.291 -17.956 0.300 557 HB2 ARG 72 2HB ARG 72 14.965 -18.772 0.884 558 HB3 ARG 72 1HB ARG 72 15.707 -17.679 2.045 559 HG2 ARG 72 2HG ARG 72 13.634 -16.762 1.939 560 HG3 ARG 72 1HG ARG 72 14.407 -15.866 0.629 561 HD2 ARG 72 2HD ARG 72 13.373 -17.155 -1.020 562 HD3 ARG 72 1HD ARG 72 12.980 -18.451 0.109 563 HE ARG 72 HE ARG 72 11.688 -15.963 0.731 564 HH11 ARG 72 1HH1 ARG 72 11.490 -18.879 -1.176 565 HH12 ARG 72 2HH1 ARG 72 9.768 -18.805 -1.340 566 HH21 ARG 72 1HH2 ARG 72 9.422 -15.864 0.516 567 HH22 ARG 72 2HH2 ARG 72 8.594 -17.094 -0.379 568 H LYS 73 H LYS 73 15.734 -19.745 -0.737 569 HA LYS 73 HA LYS 73 15.590 -19.029 -3.568 570 HB2 LYS 73 2HB LYS 73 15.464 -21.742 -2.237 571 HB3 LYS 73 1HB LYS 73 15.513 -21.453 -3.970 572 HG2 LYS 73 2HG LYS 73 17.700 -22.036 -3.379 573 HG3 LYS 73 1HG LYS 73 17.727 -20.281 -3.560 574 HD2 LYS 73 2HD LYS 73 17.881 -19.918 -1.275 575 HD3 LYS 73 1HD LYS 73 17.217 -21.504 -0.878 576 HE2 LYS 73 2HE LYS 73 19.348 -22.435 -1.981 577 HE3 LYS 73 1HE LYS 73 19.977 -20.797 -1.811 578 HZ1 LYS 73 3HZ LYS 73 20.650 -21.639 0.161 579 HZ2 LYS 73 1HZ LYS 73 19.415 -22.794 0.237 580 HZ3 LYS 73 2HZ LYS 73 19.093 -21.182 0.641 581 H ASP 74 H ASP 74 13.814 -20.641 -4.665 582 HA ASP 74 HA ASP 74 11.276 -19.773 -3.477 583 HB2 ASP 74 2HB ASP 74 12.132 -19.358 -5.979 584 HB3 ASP 74 1HB ASP 74 11.366 -20.927 -6.216 585 H ASN 75 H ASN 75 12.843 -22.164 -2.647 586 HA ASN 75 HA ASN 75 12.292 -24.217 -1.810 587 HB2 ASN 75 2HB ASN 75 9.903 -23.178 -1.847 588 HB3 ASN 75 1HB ASN 75 9.667 -24.201 -3.261 589 HD21 ASN 75 1HD2 ASN 75 8.153 -24.503 -0.987 590 HD22 ASN 75 2HD2 ASN 75 8.543 -26.008 -0.235 591 H GLU 76 H GLU 76 12.753 -23.447 -4.962 592 HA GLU 76 HA GLU 76 12.550 -26.220 -5.896 593 HB2 GLU 76 2HB GLU 76 13.207 -24.036 -7.790 594 HB3 GLU 76 1HB GLU 76 12.193 -25.454 -8.023 595 HG2 GLU 76 2HG GLU 76 10.417 -24.396 -6.725 596 HG3 GLU 76 1HG GLU 76 11.439 -22.979 -6.485 597 H GLY 77 H GLY 77 14.710 -23.576 -5.326 598 HA2 GLY 77 2HA GLY 77 17.009 -24.311 -4.696 599 HA3 GLY 77 1HA GLY 77 16.976 -25.282 -6.161 600 H ASN 78 H ASN 78 15.689 -22.022 -5.941 601 HA ASN 78 HA ASN 78 17.938 -21.078 -7.593 602 HB2 ASN 78 2HB ASN 78 15.030 -20.296 -7.889 603 HB3 ASN 78 1HB ASN 78 16.369 -19.679 -8.851 604 HD21 ASN 78 1HD2 ASN 78 14.073 -22.148 -8.457 605 HD22 ASN 78 2HD2 ASN 78 14.578 -23.154 -9.779 606 H GLU 79 H GLU 79 19.080 -19.744 -6.349 607 HA GLU 79 HA GLU 79 18.152 -18.394 -4.087 608 HB2 GLU 79 2HB GLU 79 20.570 -18.885 -4.842 609 HB3 GLU 79 1HB GLU 79 20.441 -17.390 -5.758 610 HG2 GLU 79 2HG GLU 79 19.832 -16.247 -3.608 611 HG3 GLU 79 1HG GLU 79 20.258 -17.744 -2.780 612 H VAL 80 H VAL 80 16.217 -17.333 -4.605 613 HA VAL 80 HA VAL 80 16.492 -14.986 -6.363 614 HB VAL 80 HB VAL 80 14.074 -14.990 -6.605 615 HG11 VAL 80 1HG1 VAL 80 13.937 -17.514 -7.491 616 HG12 VAL 80 2HG1 VAL 80 15.683 -17.369 -7.294 617 HG13 VAL 80 3HG1 VAL 80 14.817 -16.242 -8.337 618 HG21 VAL 80 3HG2 VAL 80 14.234 -17.094 -4.504 619 HG22 VAL 80 1HG2 VAL 80 12.943 -17.194 -5.702 620 HG23 VAL 80 2HG2 VAL 80 13.093 -15.760 -4.683 621 H VAL 81 H VAL 81 14.527 -13.371 -5.591 622 HA VAL 81 HA VAL 81 15.227 -12.715 -2.810 623 HB VAL 81 HB VAL 81 14.119 -10.840 -4.902 624 HG11 VAL 81 1HG1 VAL 81 13.881 -10.414 -2.353 625 HG12 VAL 81 2HG1 VAL 81 14.456 -9.114 -3.397 626 HG13 VAL 81 3HG1 VAL 81 15.603 -10.043 -2.430 627 HG21 VAL 81 3HG2 VAL 81 16.980 -11.169 -4.003 628 HG22 VAL 81 1HG2 VAL 81 16.375 -9.976 -5.152 629 HG23 VAL 81 2HG2 VAL 81 16.330 -11.692 -5.557 630 HA PRO 82 HA PRO 82 11.027 -13.663 -1.702 631 HB2 PRO 82 2HB PRO 82 10.953 -12.333 0.675 632 HB3 PRO 82 1HB PRO 82 11.714 -13.913 0.459 633 HG2 PRO 82 2HG PRO 82 12.963 -11.201 0.501 634 HG3 PRO 82 1HG PRO 82 13.515 -12.698 1.272 635 HD2 PRO 82 2HD PRO 82 14.599 -11.805 -1.019 636 HD3 PRO 82 1HD PRO 82 14.386 -13.540 -0.702 637 H LYS 83 H LYS 83 9.261 -12.730 -2.504 638 HA LYS 83 HA LYS 83 9.182 -9.933 -3.102 639 HB2 LYS 83 2HB LYS 83 6.920 -11.931 -3.239 640 HB3 LYS 83 1HB LYS 83 7.008 -10.381 -4.063 641 HG2 LYS 83 2HG LYS 83 7.638 -11.687 -5.788 642 HG3 LYS 83 1HG LYS 83 9.226 -11.500 -5.042 643 HD2 LYS 83 2HD LYS 83 9.276 -13.647 -4.291 644 HD3 LYS 83 1HD LYS 83 7.529 -13.718 -4.054 645 HE2 LYS 83 2HE LYS 83 7.556 -13.545 -6.705 646 HE3 LYS 83 1HE LYS 83 9.150 -14.265 -6.481 647 HZ1 LYS 83 3HZ LYS 83 7.949 -16.155 -6.542 648 HZ2 LYS 83 1HZ LYS 83 6.516 -15.413 -6.036 649 HZ3 LYS 83 2HZ LYS 83 7.702 -15.823 -4.902 650 HA PRO 84 HA PRO 84 7.380 -8.639 0.749 651 HB2 PRO 84 2HB PRO 84 6.736 -6.122 0.102 652 HB3 PRO 84 1HB PRO 84 8.420 -6.632 0.287 653 HG2 PRO 84 2HG PRO 84 6.806 -6.304 -2.209 654 HG3 PRO 84 1HG PRO 84 8.461 -5.766 -1.874 655 HD2 PRO 84 2HD PRO 84 7.896 -8.034 -3.265 656 HD3 PRO 84 1HD PRO 84 9.351 -7.853 -2.263 657 H GLN 85 H GLN 85 5.359 -8.301 1.692 658 HA GLN 85 HA GLN 85 3.120 -9.312 0.335 659 HB2 GLN 85 2HB GLN 85 2.972 -7.530 2.763 660 HB3 GLN 85 1HB GLN 85 1.869 -8.817 2.293 661 HG2 GLN 85 2HG GLN 85 3.823 -10.404 2.611 662 HG3 GLN 85 1HG GLN 85 4.644 -9.060 3.403 663 HE21 GLN 85 1HE2 GLN 85 3.446 -11.742 4.265 664 HE22 GLN 85 2HE2 GLN 85 2.527 -11.334 5.680 665 H ARG 86 H ARG 86 2.052 -8.374 -1.266 666 HA ARG 86 HA ARG 86 1.895 -5.440 -1.341 667 HB2 ARG 86 2HB ARG 86 1.243 -7.305 -3.616 668 HB3 ARG 86 1HB ARG 86 1.603 -5.585 -3.690 669 HG2 ARG 86 2HG ARG 86 3.918 -6.223 -2.803 670 HG3 ARG 86 1HG ARG 86 3.481 -7.876 -3.241 671 HD2 ARG 86 2HD ARG 86 2.822 -6.706 -5.522 672 HD3 ARG 86 1HD ARG 86 4.004 -5.517 -4.976 673 HE ARG 86 HE ARG 86 5.255 -7.930 -4.679 674 HH11 ARG 86 1HH1 ARG 86 3.743 -6.242 -7.333 675 HH12 ARG 86 2HH1 ARG 86 4.769 -6.953 -8.533 676 HH21 ARG 86 1HH2 ARG 86 6.607 -8.865 -6.256 677 HH22 ARG 86 2HH2 ARG 86 6.395 -8.442 -7.923 678 H HIS 87 H HIS 87 0.074 -4.613 -0.583 679 HA HIS 87 HA HIS 87 -2.382 -6.189 -0.639 680 HB2 HIS 87 2HB HIS 87 -1.906 -3.480 0.622 681 HB3 HIS 87 1HB HIS 87 -3.280 -4.546 0.894 682 HD1 HIS 87 1HD HIS 87 -2.319 -7.088 1.792 683 HD2 HIS 87 2HD HIS 87 -0.170 -3.642 2.671 684 HE1 HIS 87 1HE HIS 87 -0.875 -7.681 3.763 685 HE2 HIS 87 2HE HIS 87 0.355 -5.556 4.330 686 H MET 88 H MET 88 -3.563 -6.041 -2.430 687 HA MET 88 HA MET 88 -3.460 -3.658 -4.078 688 HB2 MET 88 2HB MET 88 -3.393 -5.885 -5.123 689 HB3 MET 88 1HB MET 88 -4.984 -6.239 -4.463 690 HG2 MET 88 2HG MET 88 -6.059 -4.839 -5.928 691 HG3 MET 88 1HG MET 88 -4.632 -3.836 -6.184 692 HE1 MET 88 3HE MET 88 -3.506 -4.733 -9.405 693 HE2 MET 88 1HE MET 88 -2.404 -5.026 -8.060 694 HE3 MET 88 2HE MET 88 -3.546 -3.684 -7.987 695 H PHE 89 H PHE 89 -4.686 -1.989 -3.516 696 HA PHE 89 HA PHE 89 -7.410 -2.517 -2.528 697 HB2 PHE 89 2HB PHE 89 -5.628 -0.118 -2.044 698 HB3 PHE 89 1HB PHE 89 -7.290 -0.267 -1.483 699 HD1 PHE 89 2HD PHE 89 -7.828 -2.232 0.072 700 HD2 PHE 89 1HD PHE 89 -3.873 -0.888 -0.739 701 HE1 PHE 89 2HE PHE 89 -7.038 -3.335 2.123 702 HE2 PHE 89 1HE PHE 89 -3.075 -1.989 1.312 703 HZ PHE 89 HZ PHE 89 -4.658 -3.214 2.746 704 H SER 90 H SER 90 -9.085 -1.793 -3.694 705 HA SER 90 HA SER 90 -8.475 -0.129 -6.043 706 HB2 SER 90 2HB SER 90 -11.110 -1.438 -5.948 707 HB3 SER 90 1HB SER 90 -9.927 -1.371 -7.254 708 HG SER 90 HG SER 90 -8.724 -2.971 -6.039 709 H PHE 91 H PHE 91 -9.105 1.904 -6.010 710 HA PHE 91 HA PHE 91 -11.081 2.773 -4.044 711 HB2 PHE 91 2HB PHE 91 -9.030 4.208 -5.715 712 HB3 PHE 91 1HB PHE 91 -10.311 5.088 -4.885 713 HD1 PHE 91 2HD PHE 91 -8.227 2.176 -3.846 714 HD2 PHE 91 1HD PHE 91 -9.366 6.207 -3.113 715 HE1 PHE 91 2HE PHE 91 -6.887 2.172 -1.788 716 HE2 PHE 91 1HE PHE 91 -8.031 6.214 -1.051 717 HZ PHE 91 HZ PHE 91 -6.790 4.195 -0.379 718 H ASN 92 H ASN 92 -12.760 4.327 -4.694 719 HA ASN 92 HA ASN 92 -13.562 4.058 -7.509 720 HB2 ASN 92 2HB ASN 92 -14.759 2.570 -5.612 721 HB3 ASN 92 1HB ASN 92 -15.738 4.029 -5.496 722 HD21 ASN 92 1HD2 ASN 92 -15.096 1.195 -7.244 723 HD22 ASN 92 2HD2 ASN 92 -16.206 1.458 -8.541 724 H ASN 93 H ASN 93 -12.384 6.266 -5.843 725 HA ASN 93 HA ASN 93 -14.134 8.336 -6.818 726 HB2 ASN 93 2HB ASN 93 -14.538 7.493 -4.197 727 HB3 ASN 93 1HB ASN 93 -13.545 8.937 -4.032 728 HD21 ASN 93 1HD2 ASN 93 -16.565 7.651 -5.208 729 HD22 ASN 93 2HD2 ASN 93 -17.392 9.173 -5.327 730 H ARG 94 H ARG 94 -13.155 10.417 -6.833 731 HA ARG 94 HA ARG 94 -10.291 10.299 -7.071 732 HB2 ARG 94 2HB ARG 94 -10.557 12.737 -7.691 733 HB3 ARG 94 1HB ARG 94 -11.407 11.591 -8.718 734 HG2 ARG 94 2HG ARG 94 -13.496 12.145 -7.788 735 HG3 ARG 94 1HG ARG 94 -12.752 13.001 -6.435 736 HD2 ARG 94 2HD ARG 94 -11.715 14.370 -8.523 737 HD3 ARG 94 1HD ARG 94 -13.277 13.897 -9.191 738 HE ARG 94 HE ARG 94 -13.890 14.892 -6.737 739 HH11 ARG 94 1HH1 ARG 94 -12.127 16.125 -9.485 740 HH12 ARG 94 2HH1 ARG 94 -12.539 17.777 -9.167 741 HH21 ARG 94 1HH2 ARG 94 -14.435 17.063 -6.318 742 HH22 ARG 94 2HH2 ARG 94 -13.849 18.310 -7.369 743 H THR 95 H THR 95 -12.624 11.744 -4.857 744 HA THR 95 HA THR 95 -10.762 13.263 -3.384 745 HB THR 95 HB THR 95 -13.185 12.376 -2.043 746 HG1 THR 95 1HG THR 95 -14.476 12.606 -3.653 747 HG21 THR 95 3HG2 THR 95 -11.882 14.352 -1.359 748 HG22 THR 95 1HG2 THR 95 -13.572 14.709 -1.714 749 HG23 THR 95 2HG2 THR 95 -12.320 15.109 -2.890 750 H VAL 96 H VAL 96 -12.292 10.102 -2.873 751 HA VAL 96 HA VAL 96 -11.189 9.574 -0.353 752 HB VAL 96 HB VAL 96 -13.038 8.259 -1.289 753 HG11 VAL 96 1HG1 VAL 96 -12.926 6.960 -3.147 754 HG12 VAL 96 2HG1 VAL 96 -11.212 6.611 -2.938 755 HG13 VAL 96 3HG1 VAL 96 -11.719 8.167 -3.593 756 HG21 VAL 96 3HG2 VAL 96 -12.184 5.996 -0.646 757 HG22 VAL 96 1HG2 VAL 96 -11.861 7.267 0.533 758 HG23 VAL 96 2HG2 VAL 96 -10.572 6.704 -0.531 759 H MET 97 H MET 97 -9.922 9.008 -3.600 760 HA MET 97 HA MET 97 -7.657 7.515 -2.742 761 HB2 MET 97 2HB MET 97 -6.804 7.879 -5.013 762 HB3 MET 97 1HB MET 97 -8.479 7.345 -5.032 763 HG2 MET 97 2HG MET 97 -9.258 9.512 -5.561 764 HG3 MET 97 1HG MET 97 -7.682 10.231 -5.235 765 HE1 MET 97 3HE MET 97 -5.489 9.890 -7.587 766 HE2 MET 97 1HE MET 97 -6.458 11.033 -6.659 767 HE3 MET 97 2HE MET 97 -6.616 10.966 -8.414 768 H ASP 98 H ASP 98 -8.325 10.876 -3.296 769 HA ASP 98 HA ASP 98 -5.645 11.802 -3.102 770 HB2 ASP 98 2HB ASP 98 -7.901 12.962 -3.955 771 HB3 ASP 98 1HB ASP 98 -7.888 13.591 -2.310 772 H ASN 99 H ASN 99 -8.139 11.058 -0.780 773 HA ASN 99 HA ASN 99 -6.843 12.401 1.410 774 HB2 ASN 99 2HB ASN 99 -9.245 10.648 1.098 775 HB3 ASN 99 1HB ASN 99 -8.554 10.857 2.705 776 HD21 ASN 99 1HD2 ASN 99 -10.887 11.935 0.767 777 HD22 ASN 99 2HD2 ASN 99 -11.044 13.568 1.333 778 H ILE 100 H ILE 100 -7.408 8.980 0.580 779 HA ILE 100 HA ILE 100 -5.874 7.877 2.644 780 HB ILE 100 HB ILE 100 -6.381 6.723 -0.102 781 HG12 ILE 100 2HG1 ILE 100 -8.411 7.390 1.256 782 HG13 ILE 100 1HG1 ILE 100 -8.329 5.690 0.808 783 HG21 ILE 100 1HG2 ILE 100 -4.822 5.261 0.642 784 HG22 ILE 100 2HG2 ILE 100 -6.210 4.581 1.491 785 HG23 ILE 100 3HG2 ILE 100 -5.100 5.657 2.338 786 HD11 ILE 100 3HD1 ILE 100 -7.763 6.911 3.491 787 HD12 ILE 100 1HD1 ILE 100 -7.387 5.238 3.080 788 HD13 ILE 100 2HD1 ILE 100 -9.059 5.798 3.052 789 H LYS 101 H LYS 101 -4.978 8.494 -0.749 790 HA LYS 101 HA LYS 101 -2.338 7.617 -0.587 791 HB2 LYS 101 2HB LYS 101 -3.589 8.137 -2.686 792 HB3 LYS 101 1HB LYS 101 -3.375 9.848 -2.340 793 HG2 LYS 101 2HG LYS 101 -0.864 9.311 -2.282 794 HG3 LYS 101 1HG LYS 101 -1.317 7.812 -3.096 795 HD2 LYS 101 2HD LYS 101 -0.972 9.101 -4.936 796 HD3 LYS 101 1HD LYS 101 -2.656 9.532 -4.632 797 HE2 LYS 101 2HE LYS 101 -2.138 11.630 -3.957 798 HE3 LYS 101 1HE LYS 101 -0.622 11.130 -3.210 799 HZ1 LYS 101 3HZ LYS 101 -0.736 12.534 -5.449 800 HZ2 LYS 101 1HZ LYS 101 -0.745 10.977 -6.113 801 HZ3 LYS 101 2HZ LYS 101 0.526 11.461 -5.107 802 H MET 102 H MET 102 -3.744 10.762 0.171 803 HA MET 102 HA MET 102 -1.163 11.959 0.646 804 HB2 MET 102 2HB MET 102 -3.977 12.964 1.047 805 HB3 MET 102 1HB MET 102 -2.549 13.913 1.433 806 HG2 MET 102 2HG MET 102 -2.695 12.763 -1.285 807 HG3 MET 102 1HG MET 102 -3.814 14.072 -0.902 808 HE1 MET 102 3HE MET 102 -1.757 16.948 0.131 809 HE2 MET 102 1HE MET 102 -3.308 16.114 0.040 810 HE3 MET 102 2HE MET 102 -2.634 16.880 -1.398 811 H THR 103 H THR 103 -3.610 10.377 2.508 812 HA THR 103 HA THR 103 -2.590 11.350 5.036 813 HB THR 103 HB THR 103 -4.675 9.243 4.439 814 HG1 THR 103 1HG THR 103 -5.112 11.498 3.847 815 HG21 THR 103 3HG2 THR 103 -5.104 10.436 6.947 816 HG22 THR 103 1HG2 THR 103 -3.421 9.912 6.905 817 HG23 THR 103 2HG2 THR 103 -4.713 8.754 6.589 818 H LEU 104 H LEU 104 -2.468 8.376 3.142 819 HA LEU 104 HA LEU 104 -1.255 6.760 5.090 820 HB2 LEU 104 2HB LEU 104 -1.664 6.662 2.184 821 HB3 LEU 104 1HB LEU 104 -0.233 5.812 2.731 822 HG LEU 104 HG LEU 104 -1.517 4.348 4.112 823 HD11 LEU 104 1HD1 LEU 104 -3.202 5.442 5.161 824 HD12 LEU 104 2HD1 LEU 104 -4.144 4.719 3.857 825 HD13 LEU 104 3HD1 LEU 104 -3.619 6.398 3.738 826 HD21 LEU 104 3HD2 LEU 104 -2.882 3.216 2.490 827 HD22 LEU 104 1HD2 LEU 104 -1.458 3.868 1.678 828 HD23 LEU 104 2HD2 LEU 104 -3.015 4.681 1.517 829 H GLN 105 H GLN 105 0.231 8.553 2.389 830 HA GLN 105 HA GLN 105 2.890 8.074 2.987 831 HB2 GLN 105 2HB GLN 105 3.348 10.261 1.845 832 HB3 GLN 105 1HB GLN 105 2.329 9.158 0.931 833 HG2 GLN 105 2HG GLN 105 0.351 10.434 1.848 834 HG3 GLN 105 1HG GLN 105 1.511 11.631 2.422 835 HE21 GLN 105 1HE2 GLN 105 1.141 9.738 -0.557 836 HE22 GLN 105 2HE2 GLN 105 1.211 11.100 -1.631 837 H GLN 106 H GLN 106 0.615 10.191 4.541 838 HA GLN 106 HA GLN 106 2.411 11.853 5.921 839 HB2 GLN 106 2HB GLN 106 -0.413 11.348 5.930 840 HB3 GLN 106 1HB GLN 106 0.167 11.414 7.590 841 HG2 GLN 106 2HG GLN 106 0.870 13.611 7.389 842 HG3 GLN 106 1HG GLN 106 0.931 13.533 5.629 843 HE21 GLN 106 1HE2 GLN 106 -1.204 13.182 4.555 844 HE22 GLN 106 2HE2 GLN 106 -2.570 14.029 5.211 845 H ILE 107 H ILE 107 1.210 8.651 6.519 846 HA ILE 107 HA ILE 107 2.417 8.443 9.142 847 HB ILE 107 HB ILE 107 1.076 6.404 7.361 848 HG12 ILE 107 2HG1 ILE 107 -0.283 6.642 9.788 849 HG13 ILE 107 1HG1 ILE 107 0.157 8.294 9.367 850 HG21 ILE 107 1HG2 ILE 107 1.159 4.887 9.304 851 HG22 ILE 107 2HG2 ILE 107 2.192 6.049 10.137 852 HG23 ILE 107 3HG2 ILE 107 2.755 5.268 8.658 853 HD11 ILE 107 3HD1 ILE 107 -1.719 6.434 8.055 854 HD12 ILE 107 1HD1 ILE 107 -0.789 7.505 7.008 855 HD13 ILE 107 2HD1 ILE 107 -1.813 8.182 8.275 856 H ILE 108 H ILE 108 3.092 7.561 5.844 857 HA ILE 108 HA ILE 108 5.208 5.771 6.163 858 HB ILE 108 HB ILE 108 4.953 7.859 3.997 859 HG12 ILE 108 2HG1 ILE 108 2.865 6.609 4.257 860 HG13 ILE 108 1HG1 ILE 108 3.665 6.216 2.743 861 HG21 ILE 108 1HG2 ILE 108 6.266 5.151 3.972 862 HG22 ILE 108 2HG2 ILE 108 7.099 6.705 4.034 863 HG23 ILE 108 3HG2 ILE 108 6.150 6.270 2.612 864 HD11 ILE 108 3HD1 ILE 108 3.849 4.536 5.223 865 HD12 ILE 108 1HD1 ILE 108 4.405 4.124 3.602 866 HD13 ILE 108 2HD1 ILE 108 2.680 4.278 3.929 867 H SER 109 H SER 109 5.367 9.253 5.495 868 HA SER 109 HA SER 109 8.095 9.605 5.800 869 HB2 SER 109 2HB SER 109 5.818 11.513 6.344 870 HB3 SER 109 1HB SER 109 7.513 12.002 6.357 871 HG SER 109 HG SER 109 7.625 11.224 4.175 872 H ARG 110 H ARG 110 5.671 9.152 8.217 873 HA ARG 110 HA ARG 110 6.805 10.288 10.463 874 HB2 ARG 110 2HB ARG 110 4.642 8.679 9.963 875 HB3 ARG 110 1HB ARG 110 5.659 7.623 10.933 876 HG2 ARG 110 2HG ARG 110 5.815 9.597 12.558 877 HG3 ARG 110 1HG ARG 110 4.445 10.259 11.663 878 HD2 ARG 110 2HD ARG 110 3.292 8.031 12.073 879 HD3 ARG 110 1HD ARG 110 4.585 7.689 13.222 880 HE ARG 110 HE ARG 110 3.500 10.186 13.850 881 HH11 ARG 110 1HH1 ARG 110 2.560 6.826 13.845 882 HH12 ARG 110 2HH1 ARG 110 1.436 7.008 15.150 883 HH21 ARG 110 1HH2 ARG 110 2.022 10.429 15.566 884 HH22 ARG 110 2HH2 ARG 110 1.130 9.054 16.127 885 H TYR 111 H TYR 111 7.814 7.493 8.678 886 HA TYR 111 HA TYR 111 9.704 6.722 10.781 887 HB2 TYR 111 2HB TYR 111 9.481 5.231 8.199 888 HB3 TYR 111 1HB TYR 111 9.834 4.625 9.814 889 HD1 TYR 111 2HD TYR 111 7.770 5.041 11.522 890 HD2 TYR 111 1HD TYR 111 7.458 4.612 7.301 891 HE1 TYR 111 2HE TYR 111 5.428 4.338 11.773 892 HE2 TYR 111 1HE TYR 111 5.112 3.909 7.540 893 HH TYR 111 HH TYR 111 3.405 4.195 10.509 894 H LYS 112 H LYS 112 9.525 8.002 7.531 895 HA LYS 112 HA LYS 112 12.173 7.719 6.726 896 HB2 LYS 112 2HB LYS 112 10.037 8.659 5.500 897 HB3 LYS 112 1HB LYS 112 10.667 10.208 6.041 898 HG2 LYS 112 2HG LYS 112 11.773 10.161 4.097 899 HG3 LYS 112 1HG LYS 112 12.894 9.115 4.973 900 HD2 LYS 112 2HD LYS 112 12.520 7.731 3.223 901 HD3 LYS 112 1HD LYS 112 11.094 7.288 4.163 902 HE2 LYS 112 2HE LYS 112 9.743 8.860 2.904 903 HE3 LYS 112 1HE LYS 112 11.163 9.401 2.011 904 HZ1 LYS 112 3HZ LYS 112 10.602 6.549 1.928 905 HZ2 LYS 112 1HZ LYS 112 11.142 7.583 0.703 906 HZ3 LYS 112 2HZ LYS 112 9.503 7.542 1.113 907 H ASP 113 H ASP 113 10.752 10.762 7.928 908 HA ASP 113 HA ASP 113 13.187 12.042 8.398 909 HB2 ASP 113 2HB ASP 113 10.445 12.468 9.583 910 HB3 ASP 113 1HB ASP 113 11.811 13.519 9.947 911 H ALA 114 H ALA 114 11.338 9.837 10.377 912 HA ALA 114 HA ALA 114 12.697 10.355 12.823 913 HB1 ALA 114 1HB ALA 114 11.536 8.498 13.700 914 HB2 ALA 114 2HB ALA 114 11.320 7.780 12.104 915 HB3 ALA 114 3HB ALA 114 10.437 9.243 12.540 916 H ASP 115 H ASP 115 13.102 7.943 10.258 917 HA ASP 115 HA ASP 115 15.247 6.583 11.564 918 HB2 ASP 115 2HB ASP 115 13.620 5.793 9.643 919 HB3 ASP 115 1HB ASP 115 14.867 6.466 8.597 920 H TYR 90 1HT TYR 90 7.651 -2.096 -14.834 921 HA TYR 90 HA TYR 90 8.036 -4.498 -15.378 922 HB2 TYR 90 2HB TYR 90 9.968 -3.975 -13.146 923 HB3 TYR 90 1HB TYR 90 9.195 -5.552 -13.267 924 HD1 TYR 90 1HD TYR 90 11.129 -3.109 -15.321 925 HD2 TYR 90 2HD TYR 90 10.165 -7.188 -14.596 926 HE1 TYR 90 1HE TYR 90 12.807 -3.794 -16.982 927 HE2 TYR 90 2HE TYR 90 11.840 -7.885 -16.255 928 HH TYR 90 HH TYR 90 14.227 -6.321 -17.230 929 H ASP 91 H ASP 91 8.017 -3.176 -12.060 930 HA ASP 91 HA ASP 91 5.558 -4.626 -11.497 931 HB2 ASP 91 2HB ASP 91 7.699 -4.183 -9.942 932 HB3 ASP 91 1HB ASP 91 6.732 -2.784 -9.482 933 H SER 92 H SER 92 6.670 -1.365 -12.058 934 HA SER 92 HA SER 92 4.150 -0.187 -11.250 935 HB2 SER 92 2HB SER 92 6.664 0.791 -11.225 936 HB3 SER 92 1HB SER 92 6.109 1.436 -12.770 937 HG SER 92 HG SER 92 5.648 2.856 -11.042 938 H GLU 93 H GLU 93 4.942 -1.944 -13.848 939 HA GLU 93 HA GLU 93 4.229 -0.428 -16.080 940 HB2 GLU 93 2HB GLU 93 3.726 -2.595 -17.157 941 HB3 GLU 93 1HB GLU 93 5.265 -2.605 -16.309 942 HG2 GLU 93 2HG GLU 93 4.116 -3.709 -14.392 943 HG3 GLU 93 1HG GLU 93 2.677 -3.838 -15.403 944 H GLU 94 H GLU 94 2.279 -1.743 -13.548 945 HA GLU 94 HA GLU 94 -0.160 -1.145 -15.082 946 HB2 GLU 94 2HB GLU 94 -1.135 -2.411 -12.922 947 HB3 GLU 94 1HB GLU 94 -0.627 -3.251 -14.379 948 HG2 GLU 94 2HG GLU 94 1.423 -3.899 -13.408 949 HG3 GLU 94 1HG GLU 94 1.216 -2.790 -12.054 950 H PHE 95 H PHE 95 1.205 -0.827 -11.804 951 HA PHE 95 HA PHE 95 -0.468 1.575 -11.455 952 HB2 PHE 95 2HB PHE 95 0.610 -0.210 -9.264 953 HB3 PHE 95 1HB PHE 95 -0.497 1.144 -9.073 954 HD1 PHE 95 2HD PHE 95 -0.228 -2.114 -10.860 955 HD2 PHE 95 1HD PHE 95 -2.752 0.722 -8.940 956 HE1 PHE 95 2HE PHE 95 -2.136 -3.646 -11.116 957 HE2 PHE 95 1HE PHE 95 -4.665 -0.804 -9.190 958 HZ PHE 95 HZ PHE 95 -4.359 -2.992 -10.280 959 H GLU 96 H GLU 96 0.547 3.023 -9.637 960 HA GLU 96 HA GLU 96 3.444 3.236 -10.126 961 HB2 GLU 96 2HB GLU 96 1.647 4.966 -11.177 962 HB3 GLU 96 1HB GLU 96 1.962 5.746 -9.633 963 HG2 GLU 96 2HG GLU 96 3.679 6.705 -10.671 964 HG3 GLU 96 1HG GLU 96 4.481 5.145 -10.494 965 H ASP 97 H ASP 97 4.685 4.199 -8.447 966 HA ASP 97 HA ASP 97 3.549 3.720 -5.808 967 HB2 ASP 97 2HB ASP 97 5.957 3.059 -6.813 968 HB3 ASP 97 1HB ASP 97 6.364 4.612 -6.089 969 H VAL 98 H VAL 98 4.026 5.253 -4.042 970 HA VAL 98 HA VAL 98 4.353 8.034 -4.874 971 HB VAL 98 HB VAL 98 1.927 7.650 -4.916 972 HG11 VAL 98 1HG1 VAL 98 2.068 5.834 -3.121 973 HG12 VAL 98 2HG1 VAL 98 0.679 6.919 -3.078 974 HG13 VAL 98 3HG1 VAL 98 2.020 7.158 -1.957 975 HG21 VAL 98 3HG2 VAL 98 1.361 9.613 -3.846 976 HG22 VAL 98 1HG2 VAL 98 3.107 9.793 -4.009 977 HG23 VAL 98 2HG2 VAL 98 2.413 9.290 -2.467 978 H THR 99 H THR 99 5.892 8.849 -3.628 979 HA THR 99 HA THR 99 5.801 8.418 -0.749 980 HB THR 99 HB THR 99 8.484 8.162 -1.130 981 HG1 THR 99 1HG THR 99 8.133 7.940 -3.411 982 HG21 THR 99 3HG2 THR 99 7.505 5.529 -1.273 983 HG22 THR 99 1HG2 THR 99 6.366 6.458 -0.297 984 HG23 THR 99 2HG2 THR 99 8.073 6.412 0.144 985 H ASP 100 H ASP 100 7.977 9.656 0.119 986 HA ASP 100 HA ASP 100 7.686 12.367 -0.966 987 HB2 ASP 100 2HB ASP 100 8.235 11.252 1.734 988 HB3 ASP 100 1HB ASP 100 9.003 12.785 1.334 989 H GLY 101 H GLY 101 10.243 10.321 0.460 990 HA2 GLY 101 2HA GLY 101 12.114 10.221 -1.422 991 HA3 GLY 101 1HA GLY 101 12.266 11.899 -0.924 992 H ASN 102 H ASN 102 13.800 9.155 -0.620 993 HA ASN 102 HA ASN 102 14.158 9.050 2.248 994 HB2 ASN 102 2HB ASN 102 14.368 7.153 0.344 995 HB3 ASN 102 1HB ASN 102 16.058 7.632 0.467 996 HD21 ASN 102 1HD2 ASN 102 14.984 5.105 1.161 997 HD22 ASN 102 2HD2 ASN 102 15.244 4.872 2.854 998 H GLU 103 H GLU 103 15.202 10.750 3.099 999 HA GLU 103 HA GLU 103 17.644 11.704 1.769 1000 HB2 GLU 103 2HB GLU 103 15.570 13.197 2.547 1001 HB3 GLU 103 1HB GLU 103 16.461 13.185 4.063 1002 HG2 GLU 103 2HG GLU 103 18.168 14.434 3.236 1003 HG3 GLU 103 1HG GLU 103 17.966 13.827 1.594 1004 H VAL 104 H VAL 104 16.473 11.449 5.131 1005 HA VAL 104 HA VAL 104 19.188 10.635 5.917 1006 HB VAL 104 HB VAL 104 18.347 12.673 7.012 1007 HG11 VAL 104 1HG1 VAL 104 15.990 12.298 7.020 1008 HG12 VAL 104 2HG1 VAL 104 16.517 12.433 8.698 1009 HG13 VAL 104 3HG1 VAL 104 16.167 10.847 8.008 1010 HG21 VAL 104 3HG2 VAL 104 19.128 10.233 8.448 1011 HG22 VAL 104 1HG2 VAL 104 18.396 11.484 9.454 1012 HG23 VAL 104 2HG2 VAL 104 19.827 11.852 8.490 Start of MODEL 3 1 H2 PRO 1 1HT PRO 1 -12.968 13.834 7.442 2 H3 PRO 1 2HT PRO 1 -13.629 13.153 8.787 3 HA PRO 1 HA PRO 1 -12.419 11.530 8.504 4 HB2 PRO 1 2HB PRO 1 -13.409 10.541 5.962 5 HB3 PRO 1 1HB PRO 1 -13.662 9.892 7.587 6 HG2 PRO 1 2HG PRO 1 -15.634 11.084 6.140 7 HG3 PRO 1 1HG PRO 1 -15.582 11.095 7.912 8 HD2 PRO 1 2HD PRO 1 -14.760 13.243 5.978 9 HD3 PRO 1 1HD PRO 1 -15.684 13.386 7.486 10 H SER 2 H SER 2 -10.361 12.212 8.157 11 HA SER 2 HA SER 2 -9.528 12.744 5.388 12 HB2 SER 2 2HB SER 2 -8.636 13.764 8.032 13 HB3 SER 2 1HB SER 2 -7.391 13.545 6.803 14 HG SER 2 HG SER 2 -9.797 14.994 6.401 15 H HIS 3 H HIS 3 -8.603 10.988 8.325 16 HA HIS 3 HA HIS 3 -6.644 9.448 6.798 17 HB2 HIS 3 2HB HIS 3 -5.732 8.745 8.863 18 HB3 HIS 3 1HB HIS 3 -6.116 10.449 9.073 19 HD1 HIS 3 1HD HIS 3 -9.294 9.551 9.469 20 HD2 HIS 3 2HD HIS 3 -5.949 8.464 11.677 21 HE1 HIS 3 1HE HIS 3 -10.172 8.870 11.724 22 HE2 HIS 3 2HE HIS 3 -8.121 8.304 13.073 23 H SER 4 H SER 4 -9.332 9.004 6.128 24 HA SER 4 HA SER 4 -9.457 6.170 6.411 25 HB2 SER 4 2HB SER 4 -11.824 7.598 7.604 26 HB3 SER 4 1HB SER 4 -11.382 5.896 7.734 27 HG SER 4 HG SER 4 -10.598 8.030 9.252 28 H GLY 5 H GLY 5 -10.369 5.355 4.620 29 HA2 GLY 5 2HA GLY 5 -12.492 6.854 3.276 30 HA3 GLY 5 1HA GLY 5 -11.022 6.545 2.360 31 H ALA 6 H ALA 6 -13.701 5.599 1.769 32 HA ALA 6 HA ALA 6 -13.902 2.859 2.516 33 HB1 ALA 6 1HB ALA 6 -15.528 2.877 0.469 34 HB2 ALA 6 2HB ALA 6 -15.315 4.624 0.574 35 HB3 ALA 6 3HB ALA 6 -15.951 3.728 1.955 36 H ALA 7 H ALA 7 -12.275 1.549 1.977 37 HA ALA 7 HA ALA 7 -11.288 1.611 -0.798 38 HB1 ALA 7 1HB ALA 7 -9.903 0.238 1.485 39 HB2 ALA 7 2HB ALA 7 -9.681 1.960 1.167 40 HB3 ALA 7 3HB ALA 7 -9.230 0.769 -0.054 41 H ILE 8 H ILE 8 -10.939 -0.378 -1.906 42 HA ILE 8 HA ILE 8 -12.782 -2.486 -1.037 43 HB ILE 8 HB ILE 8 -11.792 -1.639 -3.732 44 HG12 ILE 8 2HG1 ILE 8 -14.525 -2.373 -3.684 45 HG13 ILE 8 1HG1 ILE 8 -14.217 -1.453 -2.215 46 HG21 ILE 8 1HG2 ILE 8 -12.901 -3.651 -4.690 47 HG22 ILE 8 2HG2 ILE 8 -12.996 -4.319 -3.060 48 HG23 ILE 8 3HG2 ILE 8 -11.423 -4.006 -3.794 49 HD11 ILE 8 3HD1 ILE 8 -13.422 -0.515 -4.940 50 HD12 ILE 8 1HD1 ILE 8 -13.449 0.402 -3.435 51 HD13 ILE 8 2HD1 ILE 8 -14.962 -0.121 -4.174 52 H PHE 9 H PHE 9 -12.163 -4.646 -0.962 53 HA PHE 9 HA PHE 9 -9.389 -5.332 -1.536 54 HB2 PHE 9 2HB PHE 9 -9.556 -4.560 0.878 55 HB3 PHE 9 1HB PHE 9 -10.586 -5.958 1.166 56 HD1 PHE 9 2HD PHE 9 -7.199 -4.923 0.103 57 HD2 PHE 9 1HD PHE 9 -9.668 -8.090 1.515 58 HE1 PHE 9 2HE PHE 9 -5.201 -6.311 0.476 59 HE2 PHE 9 1HE PHE 9 -7.674 -9.482 1.892 60 HZ PHE 9 HZ PHE 9 -5.437 -8.593 1.371 61 H GLU 10 H GLU 10 -9.123 -7.451 -2.132 62 HA GLU 10 HA GLU 10 -9.740 -9.480 -2.967 63 HB2 GLU 10 2HB GLU 10 -11.099 -9.298 -0.326 64 HB3 GLU 10 1HB GLU 10 -11.574 -10.614 -1.391 65 HG2 GLU 10 2HG GLU 10 -9.125 -11.189 -1.570 66 HG3 GLU 10 1HG GLU 10 -8.853 -10.045 -0.257 67 H LYS 11 H LYS 11 -11.214 -7.101 -3.850 68 HA LYS 11 HA LYS 11 -12.789 -6.760 -5.475 69 HB2 LYS 11 2HB LYS 11 -14.044 -9.429 -4.890 70 HB3 LYS 11 1HB LYS 11 -14.101 -8.493 -6.377 71 HG2 LYS 11 2HG LYS 11 -11.381 -9.056 -5.814 72 HG3 LYS 11 1HG LYS 11 -12.297 -10.554 -5.640 73 HD2 LYS 11 2HD LYS 11 -12.379 -8.721 -8.035 74 HD3 LYS 11 1HD LYS 11 -11.470 -10.231 -7.934 75 HE2 LYS 11 2HE LYS 11 -13.321 -11.109 -8.871 76 HE3 LYS 11 1HE LYS 11 -13.925 -11.089 -7.214 77 HZ1 LYS 11 3HZ LYS 11 -14.302 -8.647 -8.749 78 HZ2 LYS 11 1HZ LYS 11 -15.345 -9.415 -7.660 79 HZ3 LYS 11 2HZ LYS 11 -15.214 -9.982 -9.248 80 H VAL 12 H VAL 12 -13.297 -7.210 -2.230 81 HA VAL 12 HA VAL 12 -16.119 -6.428 -2.391 82 HB VAL 12 HB VAL 12 -15.557 -8.380 -0.962 83 HG11 VAL 12 1HG1 VAL 12 -13.600 -8.175 0.125 84 HG12 VAL 12 2HG1 VAL 12 -14.628 -7.489 1.381 85 HG13 VAL 12 3HG1 VAL 12 -13.743 -6.426 0.290 86 HG21 VAL 12 3HG2 VAL 12 -17.266 -6.251 -0.430 87 HG22 VAL 12 1HG2 VAL 12 -16.498 -6.609 1.118 88 HG23 VAL 12 2HG2 VAL 12 -17.359 -7.877 0.244 89 H SER 13 H SER 13 -16.841 -4.516 -1.519 90 HA SER 13 HA SER 13 -14.770 -2.537 -1.057 91 HB2 SER 13 2HB SER 13 -17.664 -1.826 -0.946 92 HB3 SER 13 1HB SER 13 -16.308 -0.922 -1.621 93 HG SER 13 HG SER 13 -17.813 -2.999 -2.754 94 H GLY 14 H GLY 14 -14.262 -1.671 0.843 95 HA2 GLY 14 2HA GLY 14 -16.079 -2.115 3.116 96 HA3 GLY 14 1HA GLY 14 -14.382 -2.554 3.245 97 H ILE 15 H ILE 15 -13.743 -1.144 4.791 98 HA ILE 15 HA ILE 15 -13.734 1.688 4.020 99 HB ILE 15 HB ILE 15 -14.190 0.879 6.876 100 HG12 ILE 15 2HG1 ILE 15 -16.039 0.046 5.361 101 HG13 ILE 15 1HG1 ILE 15 -16.542 1.144 6.641 102 HG21 ILE 15 1HG2 ILE 15 -15.192 3.271 6.810 103 HG22 ILE 15 2HG2 ILE 15 -14.269 3.427 5.315 104 HG23 ILE 15 3HG2 ILE 15 -13.437 3.063 6.834 105 HD11 ILE 15 3HD1 ILE 15 -16.889 2.901 5.136 106 HD12 ILE 15 1HD1 ILE 15 -17.558 1.472 4.345 107 HD13 ILE 15 2HD1 ILE 15 -15.979 2.096 3.856 108 H ILE 16 H ILE 16 -11.719 2.387 3.986 109 HA ILE 16 HA ILE 16 -9.705 0.966 5.553 110 HB ILE 16 HB ILE 16 -9.704 2.369 2.997 111 HG12 ILE 16 2HG1 ILE 16 -7.853 0.400 4.345 112 HG13 ILE 16 1HG1 ILE 16 -9.151 0.021 3.222 113 HG21 ILE 16 1HG2 ILE 16 -7.334 2.863 4.785 114 HG22 ILE 16 2HG2 ILE 16 -8.506 4.086 4.284 115 HG23 ILE 16 3HG2 ILE 16 -7.489 3.296 3.081 116 HD11 ILE 16 3HD1 ILE 16 -7.455 1.828 1.898 117 HD12 ILE 16 1HD1 ILE 16 -7.691 0.112 1.567 118 HD13 ILE 16 2HD1 ILE 16 -6.422 0.629 2.678 119 H ALA 17 H ALA 17 -9.032 1.773 7.402 120 HA ALA 17 HA ALA 17 -9.097 4.680 7.797 121 HB1 ALA 17 1HB ALA 17 -10.067 2.803 9.931 122 HB2 ALA 17 2HB ALA 17 -11.155 3.507 8.728 123 HB3 ALA 17 3HB ALA 17 -10.256 4.555 9.834 124 H ILE 18 H ILE 18 -7.345 5.480 8.758 125 HA ILE 18 HA ILE 18 -5.211 3.673 9.491 126 HB ILE 18 HB ILE 18 -5.280 6.694 9.467 127 HG12 ILE 18 2HG1 ILE 18 -3.664 6.047 7.429 128 HG13 ILE 18 1HG1 ILE 18 -4.705 4.627 7.408 129 HG21 ILE 18 1HG2 ILE 18 -2.896 4.855 9.603 130 HG22 ILE 18 2HG2 ILE 18 -3.571 5.729 10.978 131 HG23 ILE 18 3HG2 ILE 18 -2.879 6.618 9.621 132 HD11 ILE 18 3HD1 ILE 18 -6.614 5.904 6.950 133 HD12 ILE 18 1HD1 ILE 18 -5.352 6.563 5.910 134 HD13 ILE 18 2HD1 ILE 18 -5.811 7.412 7.386 135 H ASN 19 H ASN 19 -4.760 3.023 11.480 136 HA ASN 19 HA ASN 19 -6.179 4.182 13.738 137 HB2 ASN 19 2HB ASN 19 -5.772 1.644 13.232 138 HB3 ASN 19 1HB ASN 19 -4.205 1.939 13.981 139 HD21 ASN 19 1HD2 ASN 19 -4.944 0.386 15.560 140 HD22 ASN 19 2HD2 ASN 19 -5.945 0.913 16.865 141 H GLU 20 H GLU 20 -5.201 6.152 14.102 142 HA GLU 20 HA GLU 20 -2.319 6.195 14.588 143 HB2 GLU 20 2HB GLU 20 -4.395 8.322 14.166 144 HB3 GLU 20 1HB GLU 20 -2.844 8.723 14.889 145 HG2 GLU 20 2HG GLU 20 -2.647 7.146 12.435 146 HG3 GLU 20 1HG GLU 20 -3.391 8.729 12.224 147 H ASP 21 H ASP 21 -4.320 4.933 16.404 148 HA ASP 21 HA ASP 21 -3.994 6.616 18.786 149 HB2 ASP 21 2HB ASP 21 -5.780 4.221 18.311 150 HB3 ASP 21 1HB ASP 21 -5.687 5.126 19.819 151 H VAL 22 H VAL 22 -2.549 4.040 17.224 152 HA VAL 22 HA VAL 22 -1.616 2.819 19.735 153 HB VAL 22 HB VAL 22 -0.829 0.951 18.401 154 HG11 VAL 22 1HG1 VAL 22 -2.959 0.406 18.955 155 HG12 VAL 22 2HG1 VAL 22 -3.172 0.489 17.206 156 HG13 VAL 22 3HG1 VAL 22 -3.639 1.857 18.217 157 HG21 VAL 22 3HG2 VAL 22 -0.086 1.889 16.390 158 HG22 VAL 22 1HG2 VAL 22 -1.629 2.686 16.082 159 HG23 VAL 22 2HG2 VAL 22 -1.493 0.933 15.928 160 H SER 23 H SER 23 0.791 1.840 19.189 161 HA SER 23 HA SER 23 2.472 4.116 19.230 162 HB2 SER 23 2HB SER 23 2.797 1.234 19.532 163 HB3 SER 23 1HB SER 23 4.144 1.965 18.659 164 HG SER 23 HG SER 23 4.575 2.070 20.848 165 HA PRO 24 HA PRO 24 3.657 3.212 14.765 166 HB2 PRO 24 2HB PRO 24 3.432 0.831 13.645 167 HB3 PRO 24 1HB PRO 24 4.651 1.097 14.899 168 HG2 PRO 24 2HG PRO 24 2.009 -0.281 15.086 169 HG3 PRO 24 1HG PRO 24 3.545 -0.688 15.873 170 HD2 PRO 24 2HD PRO 24 1.415 0.745 17.029 171 HD3 PRO 24 1HD PRO 24 3.067 0.623 17.660 172 H ALA 25 H ALA 25 2.142 4.472 13.786 173 HA ALA 25 HA ALA 25 -0.567 4.110 13.629 174 HB1 ALA 25 1HB ALA 25 -0.187 6.147 12.800 175 HB2 ALA 25 2HB ALA 25 -0.057 5.338 11.237 176 HB3 ALA 25 3HB ALA 25 1.398 5.698 12.167 177 H GLU 26 H GLU 26 -1.778 2.559 12.826 178 HA GLU 26 HA GLU 26 -0.756 0.974 10.564 179 HB2 GLU 26 2HB GLU 26 -2.918 0.140 12.491 180 HB3 GLU 26 1HB GLU 26 -2.020 -0.872 11.369 181 HG2 GLU 26 2HG GLU 26 0.040 -0.356 12.688 182 HG3 GLU 26 1HG GLU 26 -0.996 0.436 13.873 183 H LEU 27 H LEU 27 -2.603 -0.067 9.296 184 HA LEU 27 HA LEU 27 -4.746 1.885 8.795 185 HB2 LEU 27 2HB LEU 27 -3.044 1.984 7.032 186 HB3 LEU 27 1HB LEU 27 -3.192 0.258 6.777 187 HG LEU 27 HG LEU 27 -5.762 1.553 6.492 188 HD11 LEU 27 1HD1 LEU 27 -4.259 3.459 5.857 189 HD12 LEU 27 2HD1 LEU 27 -5.356 2.915 4.587 190 HD13 LEU 27 3HD1 LEU 27 -3.654 2.453 4.540 191 HD21 LEU 27 3HD2 LEU 27 -4.434 0.384 4.150 192 HD22 LEU 27 1HD2 LEU 27 -6.001 0.020 4.870 193 HD23 LEU 27 2HD2 LEU 27 -4.532 -0.681 5.554 194 H THR 28 H THR 28 -6.576 0.927 9.498 195 HA THR 28 HA THR 28 -6.844 -1.978 9.153 196 HB THR 28 HB THR 28 -8.626 -0.271 10.865 197 HG1 THR 28 1HG THR 28 -6.839 0.177 11.903 198 HG21 THR 28 3HG2 THR 28 -9.091 -2.210 12.072 199 HG22 THR 28 1HG2 THR 28 -7.722 -3.078 11.378 200 HG23 THR 28 2HG2 THR 28 -9.133 -2.717 10.383 201 H TRP 29 H TRP 29 -7.990 -2.645 7.488 202 HA TRP 29 HA TRP 29 -10.009 -0.949 6.290 203 HB2 TRP 29 2HB TRP 29 -8.510 -2.043 4.751 204 HB3 TRP 29 1HB TRP 29 -8.825 -3.613 5.486 205 HD1 TRP 29 HD TRP 29 -10.715 -0.899 3.517 206 HE1 TRP 29 1HE TRP 29 -12.544 -2.046 2.096 207 HE3 TRP 29 3HE TRP 29 -10.100 -5.681 5.166 208 HZ2 TRP 29 2HZ TRP 29 -13.582 -4.658 1.747 209 HZ3 TRP 29 3HZ TRP 29 -11.550 -7.447 4.255 210 HH2 TRP 29 HH TRP 29 -13.251 -6.943 2.584 211 H ARG 30 H ARG 30 -11.968 -1.018 7.195 212 HA ARG 30 HA ARG 30 -12.978 -3.608 8.169 213 HB2 ARG 30 2HB ARG 30 -13.962 -0.839 8.888 214 HB3 ARG 30 1HB ARG 30 -14.493 -2.356 9.601 215 HG2 ARG 30 2HG ARG 30 -12.303 -2.704 10.569 216 HG3 ARG 30 1HG ARG 30 -11.703 -1.239 9.789 217 HD2 ARG 30 2HD ARG 30 -13.919 -1.354 11.833 218 HD3 ARG 30 1HD ARG 30 -12.254 -0.882 12.160 219 HE ARG 30 HE ARG 30 -12.636 1.150 11.127 220 HH11 ARG 30 1HH1 ARG 30 -15.398 -0.947 10.696 221 HH12 ARG 30 2HH1 ARG 30 -16.427 0.322 10.125 222 HH21 ARG 30 1HH2 ARG 30 -13.992 2.816 10.377 223 HH22 ARG 30 2HH2 ARG 30 -15.629 2.456 9.944 224 H SER 31 H SER 31 -14.371 -4.566 6.843 225 HA SER 31 HA SER 31 -15.389 -3.594 4.504 226 HB2 SER 31 2HB SER 31 -15.817 -5.819 4.563 227 HB3 SER 31 1HB SER 31 -16.090 -5.818 6.305 228 HG SER 31 HG SER 31 -17.923 -6.131 4.610 229 H THR 32 H THR 32 -17.768 -3.270 3.964 230 HA THR 32 HA THR 32 -18.706 -0.985 5.384 231 HB THR 32 HB THR 32 -20.692 -2.056 3.631 232 HG1 THR 32 1HG THR 32 -18.121 -1.865 2.462 233 HG21 THR 32 3HG2 THR 32 -18.802 0.231 3.165 234 HG22 THR 32 1HG2 THR 32 -20.316 0.335 4.063 235 HG23 THR 32 2HG2 THR 32 -20.335 -0.062 2.344 236 H ASP 33 H ASP 33 -19.673 -4.312 5.029 237 HA ASP 33 HA ASP 33 -21.867 -3.979 6.887 238 HB2 ASP 33 2HB ASP 33 -20.991 -6.177 5.059 239 HB3 ASP 33 1HB ASP 33 -22.074 -6.544 6.399 240 H GLY 34 H GLY 34 -18.724 -5.478 6.697 241 HA2 GLY 34 2HA GLY 34 -17.415 -5.611 8.745 242 HA3 GLY 34 1HA GLY 34 -18.898 -6.027 9.592 243 H ASP 35 H ASP 35 -18.385 -7.465 6.505 244 HA ASP 35 HA ASP 35 -18.102 -10.065 7.781 245 HB2 ASP 35 2HB ASP 35 -18.587 -9.294 4.897 246 HB3 ASP 35 1HB ASP 35 -18.497 -10.952 5.486 247 H LYS 36 H LYS 36 -16.171 -7.734 6.184 248 HA LYS 36 HA LYS 36 -13.929 -9.633 6.171 249 HB2 LYS 36 2HB LYS 36 -14.473 -7.599 4.002 250 HB3 LYS 36 1HB LYS 36 -13.092 -8.687 4.079 251 HG2 LYS 36 2HG LYS 36 -15.115 -10.466 4.205 252 HG3 LYS 36 1HG LYS 36 -15.860 -9.196 3.232 253 HD2 LYS 36 2HD LYS 36 -14.524 -9.596 1.460 254 HD3 LYS 36 1HD LYS 36 -13.107 -9.892 2.469 255 HE2 LYS 36 2HE LYS 36 -14.383 -12.086 3.096 256 HE3 LYS 36 1HE LYS 36 -15.243 -11.783 1.587 257 HZ1 LYS 36 3HZ LYS 36 -12.383 -12.367 1.998 258 HZ2 LYS 36 1HZ LYS 36 -12.896 -11.547 0.608 259 HZ3 LYS 36 2HZ LYS 36 -13.478 -13.100 0.939 260 H VAL 37 H VAL 37 -11.983 -8.844 6.832 261 HA VAL 37 HA VAL 37 -11.718 -5.980 7.324 262 HB VAL 37 HB VAL 37 -12.510 -7.623 9.380 263 HG11 VAL 37 1HG1 VAL 37 -10.698 -7.969 10.888 264 HG12 VAL 37 2HG1 VAL 37 -9.570 -7.137 9.817 265 HG13 VAL 37 3HG1 VAL 37 -10.248 -8.695 9.345 266 HG21 VAL 37 3HG2 VAL 37 -11.933 -5.735 10.833 267 HG22 VAL 37 1HG2 VAL 37 -12.686 -5.211 9.327 268 HG23 VAL 37 2HG2 VAL 37 -10.941 -5.056 9.542 269 H HIS 38 H HIS 38 -9.514 -5.316 7.775 270 HA HIS 38 HA HIS 38 -7.374 -7.215 7.433 271 HB2 HIS 38 2HB HIS 38 -8.325 -6.538 5.088 272 HB3 HIS 38 1HB HIS 38 -7.450 -5.038 5.374 273 HD1 HIS 38 1HD HIS 38 -6.858 -8.743 4.966 274 HD2 HIS 38 2HD HIS 38 -4.733 -5.171 4.961 275 HE1 HIS 38 1HE HIS 38 -4.545 -9.338 4.179 276 HE2 HIS 38 2HE HIS 38 -3.304 -7.147 4.097 277 H THR 39 H THR 39 -5.359 -6.383 8.040 278 HA THR 39 HA THR 39 -5.377 -3.600 9.006 279 HB THR 39 HB THR 39 -3.894 -5.775 10.452 280 HG1 THR 39 1HG THR 39 -6.068 -6.413 10.411 281 HG21 THR 39 3HG2 THR 39 -4.802 -4.063 12.327 282 HG22 THR 39 1HG2 THR 39 -4.574 -2.969 10.961 283 HG23 THR 39 2HG2 THR 39 -3.224 -3.942 11.546 284 H VAL 40 H VAL 40 -3.588 -2.406 8.631 285 HA VAL 40 HA VAL 40 -1.217 -3.744 7.516 286 HB VAL 40 HB VAL 40 -2.821 -1.557 6.294 287 HG11 VAL 40 1HG1 VAL 40 -0.914 -0.268 6.387 288 HG12 VAL 40 2HG1 VAL 40 -0.676 -1.122 4.862 289 HG13 VAL 40 3HG1 VAL 40 0.159 -1.666 6.319 290 HG21 VAL 40 3HG2 VAL 40 -1.821 -2.807 4.244 291 HG22 VAL 40 1HG2 VAL 40 -3.112 -3.554 5.187 292 HG23 VAL 40 2HG2 VAL 40 -1.434 -4.045 5.443 293 H VAL 41 H VAL 41 0.639 -3.065 8.355 294 HA VAL 41 HA VAL 41 0.475 -0.748 10.137 295 HB VAL 41 HB VAL 41 2.495 -2.992 10.092 296 HG11 VAL 41 1HG1 VAL 41 2.950 -1.656 12.417 297 HG12 VAL 41 2HG1 VAL 41 2.598 -0.321 11.319 298 HG13 VAL 41 3HG1 VAL 41 3.902 -1.448 10.945 299 HG21 VAL 41 3HG2 VAL 41 1.490 -3.119 12.512 300 HG22 VAL 41 1HG2 VAL 41 0.642 -3.850 11.147 301 HG23 VAL 41 2HG2 VAL 41 0.134 -2.273 11.762 302 H LEU 42 H LEU 42 0.996 1.069 9.198 303 HA LEU 42 HA LEU 42 2.452 1.428 6.875 304 HB2 LEU 42 2HB LEU 42 1.885 3.260 9.190 305 HB3 LEU 42 1HB LEU 42 2.786 3.803 7.789 306 HG LEU 42 HG LEU 42 0.522 4.491 7.500 307 HD11 LEU 42 1HD1 LEU 42 1.876 3.099 5.641 308 HD12 LEU 42 2HD1 LEU 42 0.303 3.847 5.354 309 HD13 LEU 42 3HD1 LEU 42 0.406 2.130 5.744 310 HD21 LEU 42 3HD2 LEU 42 -0.353 1.625 7.815 311 HD22 LEU 42 1HD2 LEU 42 -1.375 3.052 7.646 312 HD23 LEU 42 2HD2 LEU 42 -0.423 2.816 9.112 313 H SER 43 H SER 43 3.605 0.852 10.087 314 HA SER 43 HA SER 43 6.175 1.980 9.844 315 HB2 SER 43 2HB SER 43 6.576 1.114 11.919 316 HB3 SER 43 1HB SER 43 4.825 0.910 11.907 317 HG SER 43 HG SER 43 5.616 -1.049 12.461 318 H THR 44 H THR 44 4.819 -1.027 8.785 319 HA THR 44 HA THR 44 7.430 -2.093 8.043 320 HB THR 44 HB THR 44 6.421 -4.164 7.769 321 HG1 THR 44 1HG THR 44 3.911 -2.896 7.416 322 HG21 THR 44 3HG2 THR 44 6.089 -3.482 10.100 323 HG22 THR 44 1HG2 THR 44 4.817 -4.561 9.530 324 HG23 THR 44 2HG2 THR 44 4.509 -2.829 9.667 325 H ILE 45 H ILE 45 4.544 -0.772 6.655 326 HA ILE 45 HA ILE 45 4.707 -1.441 4.020 327 HB ILE 45 HB ILE 45 3.994 1.278 5.122 328 HG12 ILE 45 2HG1 ILE 45 2.574 -0.385 6.086 329 HG13 ILE 45 1HG1 ILE 45 1.649 0.393 4.806 330 HG21 ILE 45 1HG2 ILE 45 3.335 0.071 2.437 331 HG22 ILE 45 2HG2 ILE 45 4.480 1.381 2.726 332 HG23 ILE 45 3HG2 ILE 45 2.763 1.624 3.046 333 HD11 ILE 45 3HD1 ILE 45 2.252 -1.512 3.320 334 HD12 ILE 45 1HD1 ILE 45 1.249 -1.950 4.700 335 HD13 ILE 45 2HD1 ILE 45 2.976 -2.303 4.719 336 H ASP 46 H ASP 46 6.435 -1.496 2.765 337 HA ASP 46 HA ASP 46 8.715 0.141 3.104 338 HB2 ASP 46 2HB ASP 46 8.480 -2.186 1.963 339 HB3 ASP 46 1HB ASP 46 8.081 -1.255 0.523 340 H LYS 47 H LYS 47 5.829 0.420 1.130 341 HA LYS 47 HA LYS 47 6.242 3.180 0.690 342 HB2 LYS 47 2HB LYS 47 6.419 2.993 -1.849 343 HB3 LYS 47 1HB LYS 47 7.876 2.666 -0.924 344 HG2 LYS 47 2HG LYS 47 7.028 0.185 -1.084 345 HG3 LYS 47 1HG LYS 47 6.160 0.813 -2.486 346 HD2 LYS 47 2HD LYS 47 8.110 0.212 -3.504 347 HD3 LYS 47 1HD LYS 47 8.539 1.854 -3.021 348 HE2 LYS 47 2HE LYS 47 10.028 1.151 -1.477 349 HE3 LYS 47 1HE LYS 47 9.045 -0.236 -1.010 350 HZ1 LYS 47 3HZ LYS 47 9.984 -1.553 -2.591 351 HZ2 LYS 47 1HZ LYS 47 11.298 -0.526 -2.296 352 HZ3 LYS 47 2HZ LYS 47 10.313 -0.274 -3.648 353 H LEU 48 H LEU 48 4.618 4.085 -0.859 354 HA LEU 48 HA LEU 48 2.143 2.494 -0.723 355 HB2 LEU 48 2HB LEU 48 2.727 5.103 0.140 356 HB3 LEU 48 1HB LEU 48 1.747 5.302 -1.299 357 HG LEU 48 HG LEU 48 0.190 3.545 -0.113 358 HD11 LEU 48 1HD1 LEU 48 1.381 4.873 2.298 359 HD12 LEU 48 2HD1 LEU 48 1.931 3.296 1.736 360 HD13 LEU 48 3HD1 LEU 48 0.253 3.521 2.226 361 HD21 LEU 48 3HD2 LEU 48 -1.177 5.301 0.533 362 HD22 LEU 48 1HD2 LEU 48 -0.130 6.053 -0.668 363 HD23 LEU 48 2HD2 LEU 48 0.180 6.302 1.049 364 H GLN 49 H GLN 49 0.577 2.906 -2.511 365 HA GLN 49 HA GLN 49 1.777 3.810 -5.010 366 HB2 GLN 49 2HB GLN 49 1.102 0.999 -4.370 367 HB3 GLN 49 1HB GLN 49 0.594 1.577 -5.952 368 HG2 GLN 49 2HG GLN 49 2.768 1.945 -6.659 369 HG3 GLN 49 1HG GLN 49 3.399 1.998 -5.014 370 HE21 GLN 49 1HE2 GLN 49 2.640 -0.206 -3.835 371 HE22 GLN 49 2HE2 GLN 49 3.178 -1.625 -4.681 372 H ALA 50 H ALA 50 0.370 4.874 -6.250 373 HA ALA 50 HA ALA 50 -2.499 4.393 -5.911 374 HB1 ALA 50 1HB ALA 50 -1.439 6.427 -4.564 375 HB2 ALA 50 2HB ALA 50 -3.046 6.509 -5.287 376 HB3 ALA 50 3HB ALA 50 -1.667 7.229 -6.118 377 H THR 51 H THR 51 -3.715 4.694 -7.735 378 HA THR 51 HA THR 51 -2.242 4.920 -10.227 379 HB THR 51 HB THR 51 -4.530 4.442 -11.224 380 HG1 THR 51 1HG THR 51 -5.726 5.162 -9.387 381 HG21 THR 51 3HG2 THR 51 -4.644 2.086 -10.108 382 HG22 THR 51 1HG2 THR 51 -3.101 2.572 -9.406 383 HG23 THR 51 2HG2 THR 51 -3.297 2.520 -11.159 384 HA PRO 52 HA PRO 52 -2.927 9.419 -10.102 385 HB2 PRO 52 2HB PRO 52 -1.801 9.602 -12.663 386 HB3 PRO 52 1HB PRO 52 -0.946 9.814 -11.131 387 HG2 PRO 52 2HG PRO 52 -1.207 7.366 -12.831 388 HG3 PRO 52 1HG PRO 52 0.221 7.988 -11.982 389 HD2 PRO 52 2HD PRO 52 -1.095 5.956 -10.978 390 HD3 PRO 52 1HD PRO 52 -0.597 7.277 -9.895 391 H ALA 53 H ALA 53 -4.078 10.894 -11.532 392 HA ALA 53 HA ALA 53 -6.533 9.953 -12.401 393 HB1 ALA 53 1HB ALA 53 -5.015 12.461 -13.047 394 HB2 ALA 53 2HB ALA 53 -6.375 12.246 -11.944 395 HB3 ALA 53 3HB ALA 53 -6.630 12.154 -13.687 396 H SER 54 H SER 54 -3.493 9.787 -14.008 397 HA SER 54 HA SER 54 -4.459 9.714 -16.683 398 HB2 SER 54 2HB SER 54 -1.883 9.151 -15.315 399 HB3 SER 54 1HB SER 54 -2.129 8.397 -16.891 400 HG SER 54 HG SER 54 -2.462 10.439 -17.774 401 H SER 55 H SER 55 -4.399 7.435 -14.124 402 HA SER 55 HA SER 55 -4.703 5.155 -15.918 403 HB2 SER 55 2HB SER 55 -4.124 5.513 -13.026 404 HB3 SER 55 1HB SER 55 -5.017 4.062 -13.480 405 HG SER 55 HG SER 55 -2.501 4.238 -13.536 406 H GLU 56 H GLU 56 -6.641 4.603 -16.640 407 HA GLU 56 HA GLU 56 -9.041 5.772 -15.813 408 HB2 GLU 56 2HB GLU 56 -8.717 4.729 -18.019 409 HB3 GLU 56 1HB GLU 56 -8.644 3.147 -17.256 410 HG2 GLU 56 2HG GLU 56 -10.934 3.338 -16.537 411 HG3 GLU 56 1HG GLU 56 -11.024 4.985 -17.161 412 H LYS 57 H LYS 57 -7.297 3.087 -14.551 413 HA LYS 57 HA LYS 57 -9.597 2.216 -12.957 414 HB2 LYS 57 2HB LYS 57 -6.920 0.873 -12.876 415 HB3 LYS 57 1HB LYS 57 -8.515 0.183 -12.616 416 HG2 LYS 57 2HG LYS 57 -7.266 0.973 -15.235 417 HG3 LYS 57 1HG LYS 57 -7.687 -0.649 -14.681 418 HD2 LYS 57 2HD LYS 57 -9.634 1.586 -15.251 419 HD3 LYS 57 1HD LYS 57 -9.317 0.202 -16.299 420 HE2 LYS 57 2HE LYS 57 -10.342 -0.004 -13.472 421 HE3 LYS 57 1HE LYS 57 -11.370 -0.022 -14.903 422 HZ1 LYS 57 3HZ LYS 57 -10.024 -1.975 -15.661 423 HZ2 LYS 57 1HZ LYS 57 -10.990 -2.256 -14.300 424 HZ3 LYS 57 2HZ LYS 57 -9.324 -2.018 -14.122 425 H MET 58 H MET 58 -9.848 3.137 -11.039 426 HA MET 58 HA MET 58 -7.606 4.417 -9.713 427 HB2 MET 58 2HB MET 58 -10.417 4.224 -8.651 428 HB3 MET 58 1HB MET 58 -9.198 5.439 -8.294 429 HG2 MET 58 2HG MET 58 -9.443 5.799 -10.943 430 HG3 MET 58 1HG MET 58 -11.067 5.232 -10.558 431 HE1 MET 58 3HE MET 58 -8.717 8.782 -9.464 432 HE2 MET 58 1HE MET 58 -8.293 7.118 -9.064 433 HE3 MET 58 2HE MET 58 -9.118 8.126 -7.877 434 H MET 59 H MET 59 -6.285 3.078 -8.642 435 HA MET 59 HA MET 59 -7.365 1.528 -6.448 436 HB2 MET 59 2HB MET 59 -5.515 0.022 -8.246 437 HB3 MET 59 1HB MET 59 -6.703 -0.588 -7.105 438 HG2 MET 59 2HG MET 59 -8.498 -0.089 -8.597 439 HG3 MET 59 1HG MET 59 -7.414 0.768 -9.693 440 HE1 MET 59 3HE MET 59 -4.863 -1.534 -9.396 441 HE2 MET 59 1HE MET 59 -5.276 -0.427 -10.706 442 HE3 MET 59 2HE MET 59 -5.166 -2.159 -11.017 443 H LEU 60 H LEU 60 -5.945 1.319 -4.777 444 HA LEU 60 HA LEU 60 -3.260 2.461 -5.203 445 HB2 LEU 60 2HB LEU 60 -5.254 2.738 -3.038 446 HB3 LEU 60 1HB LEU 60 -3.584 2.609 -2.526 447 HG LEU 60 HG LEU 60 -3.035 4.539 -4.009 448 HD11 LEU 60 1HD1 LEU 60 -5.176 5.938 -4.533 449 HD12 LEU 60 2HD1 LEU 60 -5.966 4.360 -4.524 450 HD13 LEU 60 3HD1 LEU 60 -4.641 4.678 -5.645 451 HD21 LEU 60 3HD2 LEU 60 -3.929 4.547 -1.487 452 HD22 LEU 60 1HD2 LEU 60 -5.170 5.552 -2.236 453 HD23 LEU 60 2HD2 LEU 60 -3.472 6.014 -2.352 454 H ARG 61 H ARG 61 -1.473 1.384 -4.440 455 HA ARG 61 HA ARG 61 -1.963 -1.317 -3.374 456 HB2 ARG 61 2HB ARG 61 -0.040 -0.281 -5.393 457 HB3 ARG 61 1HB ARG 61 0.510 -1.580 -4.343 458 HG2 ARG 61 2HG ARG 61 -2.096 -2.199 -5.347 459 HG3 ARG 61 1HG ARG 61 -1.028 -1.773 -6.684 460 HD2 ARG 61 2HD ARG 61 0.603 -3.371 -5.240 461 HD3 ARG 61 1HD ARG 61 -0.963 -4.089 -4.863 462 HE ARG 61 HE ARG 61 -1.029 -3.846 -7.555 463 HH11 ARG 61 1HH1 ARG 61 1.272 -5.257 -5.345 464 HH12 ARG 61 2HH1 ARG 61 1.811 -6.455 -6.473 465 HH21 ARG 61 1HH2 ARG 61 -0.323 -5.421 -9.041 466 HH22 ARG 61 2HH2 ARG 61 0.906 -6.548 -8.573 467 H LEU 62 H LEU 62 -0.538 -2.140 -1.800 468 HA LEU 62 HA LEU 62 1.048 -0.101 -0.390 469 HB2 LEU 62 2HB LEU 62 -1.315 -1.049 0.511 470 HB3 LEU 62 1HB LEU 62 -0.225 -2.222 1.216 471 HG LEU 62 HG LEU 62 0.532 -0.773 2.770 472 HD11 LEU 62 1HD1 LEU 62 0.882 1.643 2.395 473 HD12 LEU 62 2HD1 LEU 62 0.331 1.427 0.731 474 HD13 LEU 62 3HD1 LEU 62 1.796 0.617 1.289 475 HD21 LEU 62 3HD2 LEU 62 -1.865 -0.633 3.008 476 HD22 LEU 62 1HD2 LEU 62 -1.920 0.696 1.851 477 HD23 LEU 62 2HD2 LEU 62 -1.125 0.918 3.410 478 H ILE 63 H ILE 63 3.114 -0.664 -0.284 479 HA ILE 63 HA ILE 63 3.906 -3.439 -0.642 480 HB ILE 63 HB ILE 63 5.625 -0.975 -0.286 481 HG12 ILE 63 2HG1 ILE 63 4.265 -0.876 -2.328 482 HG13 ILE 63 1HG1 ILE 63 5.968 -1.112 -2.714 483 HG21 ILE 63 1HG2 ILE 63 6.281 -3.821 -1.008 484 HG22 ILE 63 2HG2 ILE 63 6.913 -2.860 0.329 485 HG23 ILE 63 3HG2 ILE 63 7.374 -2.475 -1.329 486 HD11 ILE 63 3HD1 ILE 63 3.666 -2.858 -3.184 487 HD12 ILE 63 1HD1 ILE 63 5.123 -3.669 -2.610 488 HD13 ILE 63 2HD1 ILE 63 5.177 -2.691 -4.079 489 H GLY 64 H GLY 64 5.405 -4.487 0.841 490 HA2 GLY 64 2HA GLY 64 5.139 -3.476 3.610 491 HA3 GLY 64 1HA GLY 64 4.962 -5.177 3.209 492 H LYS 65 H LYS 65 6.701 -4.967 5.061 493 HA LYS 65 HA LYS 65 9.352 -4.473 3.938 494 HB2 LYS 65 2HB LYS 65 8.245 -4.099 6.476 495 HB3 LYS 65 1HB LYS 65 9.342 -5.462 6.661 496 HG2 LYS 65 2HG LYS 65 10.378 -3.265 7.137 497 HG3 LYS 65 1HG LYS 65 11.189 -4.173 5.860 498 HD2 LYS 65 2HD LYS 65 10.903 -2.487 4.443 499 HD3 LYS 65 1HD LYS 65 9.157 -2.550 4.685 500 HE2 LYS 65 2HE LYS 65 10.035 -1.315 6.973 501 HE3 LYS 65 1HE LYS 65 11.141 -0.687 5.752 502 HZ1 LYS 65 3HZ LYS 65 8.646 0.253 6.266 503 HZ2 LYS 65 1HZ LYS 65 8.405 -0.698 4.887 504 HZ3 LYS 65 2HZ LYS 65 9.540 0.557 4.864 505 H VAL 66 H VAL 66 10.788 -6.017 3.457 506 HA VAL 66 HA VAL 66 9.897 -8.766 3.582 507 HB VAL 66 HB VAL 66 11.598 -7.230 1.862 508 HG11 VAL 66 1HG1 VAL 66 13.436 -8.401 2.937 509 HG12 VAL 66 2HG1 VAL 66 13.222 -8.975 1.283 510 HG13 VAL 66 3HG1 VAL 66 12.643 -9.947 2.634 511 HG21 VAL 66 3HG2 VAL 66 10.298 -8.238 0.385 512 HG22 VAL 66 1HG2 VAL 66 9.602 -9.218 1.674 513 HG23 VAL 66 2HG2 VAL 66 11.015 -9.796 0.791 514 H ASP 67 H ASP 67 11.506 -6.769 5.402 515 HA ASP 67 HA ASP 67 12.573 -7.042 7.426 516 HB2 ASP 67 2HB ASP 67 11.777 -9.687 6.871 517 HB3 ASP 67 1HB ASP 67 13.498 -9.775 7.258 518 H GLU 68 H GLU 68 14.795 -8.129 8.197 519 HA GLU 68 HA GLU 68 16.766 -7.748 6.047 520 HB2 GLU 68 2HB GLU 68 16.669 -6.507 8.781 521 HB3 GLU 68 1HB GLU 68 18.218 -6.793 8.000 522 HG2 GLU 68 2HG GLU 68 16.965 -5.551 5.999 523 HG3 GLU 68 1HG GLU 68 16.098 -4.840 7.360 524 H SER 69 H SER 69 15.553 -10.145 7.234 525 HA SER 69 HA SER 69 17.635 -11.332 8.862 526 HB2 SER 69 2HB SER 69 16.137 -13.368 8.733 527 HB3 SER 69 1HB SER 69 15.396 -11.940 9.456 528 HG SER 69 HG SER 69 14.922 -13.127 6.959 529 H LYS 70 H LYS 70 18.597 -10.536 6.411 530 HA LYS 70 HA LYS 70 20.038 -11.289 4.824 531 HB2 LYS 70 2HB LYS 70 19.626 -13.659 6.455 532 HB3 LYS 70 1HB LYS 70 19.880 -14.071 4.765 533 HG2 LYS 70 2HG LYS 70 21.714 -12.093 5.987 534 HG3 LYS 70 1HG LYS 70 21.879 -13.782 6.475 535 HD2 LYS 70 2HD LYS 70 22.655 -14.428 4.450 536 HD3 LYS 70 1HD LYS 70 21.617 -13.299 3.577 537 HE2 LYS 70 2HE LYS 70 24.050 -12.465 5.144 538 HE3 LYS 70 1HE LYS 70 24.077 -12.829 3.419 539 HZ1 LYS 70 3HZ LYS 70 22.586 -10.655 4.776 540 HZ2 LYS 70 1HZ LYS 70 22.333 -11.084 3.159 541 HZ3 LYS 70 2HZ LYS 70 23.841 -10.499 3.653 542 H LYS 71 H LYS 71 19.259 -10.761 2.922 543 HA LYS 71 HA LYS 71 16.820 -11.905 1.891 544 HB2 LYS 71 2HB LYS 71 18.717 -10.082 0.423 545 HB3 LYS 71 1HB LYS 71 16.998 -10.307 0.141 546 HG2 LYS 71 2HG LYS 71 18.271 -8.982 2.525 547 HG3 LYS 71 1HG LYS 71 17.377 -8.193 1.224 548 HD2 LYS 71 2HD LYS 71 15.623 -8.369 2.620 549 HD3 LYS 71 1HD LYS 71 15.571 -10.043 2.070 550 HE2 LYS 71 2HE LYS 71 17.483 -9.913 4.142 551 HE3 LYS 71 1HE LYS 71 16.069 -9.017 4.692 552 HZ1 LYS 71 3HZ LYS 71 15.590 -11.600 3.424 553 HZ2 LYS 71 1HZ LYS 71 14.791 -10.866 4.723 554 HZ3 LYS 71 2HZ LYS 71 16.283 -11.624 4.966 555 H ARG 72 H ARG 72 17.224 -12.089 -0.786 556 HA ARG 72 HA ARG 72 19.200 -14.260 -1.048 557 HB2 ARG 72 2HB ARG 72 17.678 -15.359 -2.613 558 HB3 ARG 72 1HB ARG 72 16.903 -15.122 -1.053 559 HG2 ARG 72 2HG ARG 72 15.221 -14.094 -2.049 560 HG3 ARG 72 1HG ARG 72 16.327 -12.848 -2.630 561 HD2 ARG 72 2HD ARG 72 15.823 -13.540 -4.688 562 HD3 ARG 72 1HD ARG 72 16.784 -14.975 -4.334 563 HE ARG 72 HE ARG 72 14.857 -16.185 -4.342 564 HH11 ARG 72 1HH1 ARG 72 14.042 -12.848 -3.727 565 HH12 ARG 72 2HH1 ARG 72 12.334 -13.131 -3.750 566 HH21 ARG 72 1HH2 ARG 72 12.610 -16.558 -4.372 567 HH22 ARG 72 2HH2 ARG 72 11.520 -15.237 -4.116 568 H LYS 73 H LYS 73 19.171 -14.702 -3.707 569 HA LYS 73 HA LYS 73 20.084 -12.130 -4.806 570 HB2 LYS 73 2HB LYS 73 20.934 -14.948 -5.494 571 HB3 LYS 73 1HB LYS 73 21.500 -13.503 -6.322 572 HG2 LYS 73 2HG LYS 73 22.008 -12.941 -3.679 573 HG3 LYS 73 1HG LYS 73 22.354 -14.667 -3.801 574 HD2 LYS 73 2HD LYS 73 23.901 -14.280 -5.607 575 HD3 LYS 73 1HD LYS 73 23.470 -12.570 -5.660 576 HE2 LYS 73 2HE LYS 73 24.195 -12.809 -3.072 577 HE3 LYS 73 1HE LYS 73 25.236 -14.028 -3.804 578 HZ1 LYS 73 3HZ LYS 73 26.079 -11.627 -3.636 579 HZ2 LYS 73 1HZ LYS 73 25.065 -11.318 -4.954 580 HZ3 LYS 73 2HZ LYS 73 26.310 -12.455 -5.093 581 H ASP 74 H ASP 74 20.101 -12.275 -7.352 582 HA ASP 74 HA ASP 74 17.335 -12.836 -8.111 583 HB2 ASP 74 2HB ASP 74 18.791 -10.622 -8.542 584 HB3 ASP 74 1HB ASP 74 19.189 -11.505 -10.013 585 H ASN 75 H ASN 75 19.521 -14.885 -7.860 586 HA ASN 75 HA ASN 75 19.925 -16.886 -8.871 587 HB2 ASN 75 2HB ASN 75 17.679 -15.987 -10.263 588 HB3 ASN 75 1HB ASN 75 18.844 -16.393 -11.521 589 HD21 ASN 75 1HD2 ASN 75 16.420 -17.745 -11.058 590 HD22 ASN 75 2HD2 ASN 75 16.792 -19.366 -10.590 591 H GLU 76 H GLU 76 21.043 -13.935 -9.847 592 HA GLU 76 HA GLU 76 23.275 -15.197 -11.196 593 HB2 GLU 76 2HB GLU 76 21.581 -14.516 -12.959 594 HB3 GLU 76 1HB GLU 76 21.934 -12.849 -12.516 595 HG2 GLU 76 2HG GLU 76 24.422 -14.000 -12.867 596 HG3 GLU 76 1HG GLU 76 23.436 -14.688 -14.161 597 H GLY 77 H GLY 77 24.415 -14.626 -9.375 598 HA2 GLY 77 2HA GLY 77 25.494 -13.224 -7.857 599 HA3 GLY 77 1HA GLY 77 26.100 -12.561 -9.364 600 H ASN 78 H ASN 78 22.772 -12.313 -8.224 601 HA ASN 78 HA ASN 78 23.198 -9.419 -7.857 602 HB2 ASN 78 2HB ASN 78 21.123 -10.902 -9.390 603 HB3 ASN 78 1HB ASN 78 20.608 -9.457 -8.522 604 HD21 ASN 78 1HD2 ASN 78 20.812 -10.016 -11.399 605 HD22 ASN 78 2HD2 ASN 78 21.832 -8.768 -12.044 606 H GLU 79 H GLU 79 23.485 -9.737 -5.606 607 HA GLU 79 HA GLU 79 21.514 -11.028 -3.999 608 HB2 GLU 79 2HB GLU 79 22.739 -10.054 -2.098 609 HB3 GLU 79 1HB GLU 79 23.818 -10.849 -3.235 610 HG2 GLU 79 2HG GLU 79 23.971 -8.392 -4.220 611 HG3 GLU 79 1HG GLU 79 23.548 -7.980 -2.559 612 H VAL 80 H VAL 80 19.512 -10.124 -4.448 613 HA VAL 80 HA VAL 80 19.178 -7.294 -3.691 614 HB VAL 80 HB VAL 80 17.214 -7.197 -5.080 615 HG11 VAL 80 1HG1 VAL 80 19.556 -8.460 -6.493 616 HG12 VAL 80 2HG1 VAL 80 19.268 -6.741 -6.226 617 HG13 VAL 80 3HG1 VAL 80 18.218 -7.653 -7.310 618 HG21 VAL 80 3HG2 VAL 80 16.977 -9.399 -6.609 619 HG22 VAL 80 1HG2 VAL 80 16.049 -9.137 -5.132 620 HG23 VAL 80 2HG2 VAL 80 17.503 -10.136 -5.096 621 H VAL 81 H VAL 81 16.632 -7.020 -3.174 622 HA VAL 81 HA VAL 81 16.179 -8.773 -0.868 623 HB VAL 81 HB VAL 81 15.013 -6.055 -1.499 624 HG11 VAL 81 1HG1 VAL 81 14.730 -7.722 0.998 625 HG12 VAL 81 2HG1 VAL 81 13.470 -7.463 -0.207 626 HG13 VAL 81 3HG1 VAL 81 14.076 -6.105 0.741 627 HG21 VAL 81 3HG2 VAL 81 16.667 -5.112 -0.312 628 HG22 VAL 81 1HG2 VAL 81 17.535 -6.616 -0.624 629 HG23 VAL 81 2HG2 VAL 81 16.665 -6.397 0.896 630 HA PRO 82 HA PRO 82 12.995 -10.884 -3.176 631 HB2 PRO 82 2HB PRO 82 11.551 -11.623 -0.887 632 HB3 PRO 82 1HB PRO 82 12.790 -12.579 -1.704 633 HG2 PRO 82 2HG PRO 82 13.004 -10.865 0.708 634 HG3 PRO 82 1HG PRO 82 13.863 -12.360 0.308 635 HD2 PRO 82 2HD PRO 82 15.058 -9.963 0.161 636 HD3 PRO 82 1HD PRO 82 15.428 -11.259 -0.996 637 H LYS 83 H LYS 83 10.951 -10.427 -3.877 638 HA LYS 83 HA LYS 83 9.919 -7.902 -3.680 639 HB2 LYS 83 2HB LYS 83 8.739 -10.534 -4.429 640 HB3 LYS 83 1HB LYS 83 7.659 -9.160 -4.246 641 HG2 LYS 83 2HG LYS 83 8.116 -8.860 -6.423 642 HG3 LYS 83 1HG LYS 83 9.555 -8.052 -5.796 643 HD2 LYS 83 2HD LYS 83 10.937 -9.824 -6.311 644 HD3 LYS 83 1HD LYS 83 9.621 -10.999 -6.265 645 HE2 LYS 83 2HE LYS 83 8.743 -10.132 -8.355 646 HE3 LYS 83 1HE LYS 83 9.990 -8.886 -8.385 647 HZ1 LYS 83 3HZ LYS 83 10.717 -10.591 -9.811 648 HZ2 LYS 83 1HZ LYS 83 10.338 -11.810 -8.700 649 HZ3 LYS 83 2HZ LYS 83 11.636 -10.767 -8.401 650 HA PRO 84 HA PRO 84 8.457 -7.847 0.590 651 HB2 PRO 84 2HB PRO 84 7.264 -5.386 0.385 652 HB3 PRO 84 1HB PRO 84 8.978 -5.637 0.731 653 HG2 PRO 84 2HG PRO 84 7.637 -5.003 -1.860 654 HG3 PRO 84 1HG PRO 84 9.143 -4.352 -1.189 655 HD2 PRO 84 2HD PRO 84 9.160 -6.233 -3.094 656 HD3 PRO 84 1HD PRO 84 10.364 -6.231 -1.788 657 H GLN 85 H GLN 85 6.145 -6.689 1.375 658 HA GLN 85 HA GLN 85 4.166 -8.509 0.405 659 HB2 GLN 85 2HB GLN 85 3.596 -6.112 2.134 660 HB3 GLN 85 1HB GLN 85 2.752 -7.653 2.091 661 HG2 GLN 85 2HG GLN 85 4.814 -8.720 3.006 662 HG3 GLN 85 1HG GLN 85 5.490 -7.104 3.206 663 HE21 GLN 85 1HE2 GLN 85 5.461 -6.610 5.274 664 HE22 GLN 85 2HE2 GLN 85 4.129 -6.850 6.362 665 H ARG 86 H ARG 86 1.886 -7.563 -0.108 666 HA ARG 86 HA ARG 86 1.890 -5.074 -1.555 667 HB2 ARG 86 2HB ARG 86 1.911 -7.710 -2.986 668 HB3 ARG 86 1HB ARG 86 1.065 -6.333 -3.679 669 HG2 ARG 86 2HG ARG 86 3.027 -5.880 -4.643 670 HG3 ARG 86 1HG ARG 86 3.475 -5.232 -3.064 671 HD2 ARG 86 2HD ARG 86 5.056 -6.774 -2.843 672 HD3 ARG 86 1HD ARG 86 3.873 -8.062 -3.063 673 HE ARG 86 HE ARG 86 5.731 -7.061 -5.010 674 HH11 ARG 86 1HH1 ARG 86 2.679 -8.688 -4.549 675 HH12 ARG 86 2HH1 ARG 86 2.716 -9.465 -6.095 676 HH21 ARG 86 1HH2 ARG 86 5.782 -8.082 -7.046 677 HH22 ARG 86 2HH2 ARG 86 4.478 -9.122 -7.513 678 H HIS 87 H HIS 87 0.060 -4.252 -0.784 679 HA HIS 87 HA HIS 87 -2.307 -5.987 -0.591 680 HB2 HIS 87 2HB HIS 87 -1.826 -3.287 0.691 681 HB3 HIS 87 1HB HIS 87 -3.217 -4.334 0.959 682 HD1 HIS 87 1HD HIS 87 -2.459 -6.821 1.962 683 HD2 HIS 87 2HD HIS 87 0.094 -3.599 2.562 684 HE1 HIS 87 1HE HIS 87 -0.963 -7.494 3.868 685 HE2 HIS 87 2HE HIS 87 0.519 -5.496 4.267 686 H MET 88 H MET 88 -3.557 -5.869 -2.339 687 HA MET 88 HA MET 88 -3.596 -3.472 -3.970 688 HB2 MET 88 2HB MET 88 -3.531 -5.859 -4.869 689 HB3 MET 88 1HB MET 88 -5.224 -5.970 -4.407 690 HG2 MET 88 2HG MET 88 -5.889 -4.842 -6.198 691 HG3 MET 88 1HG MET 88 -4.675 -3.587 -5.959 692 HE1 MET 88 3HE MET 88 -3.052 -3.074 -7.511 693 HE2 MET 88 1HE MET 88 -4.288 -3.343 -8.740 694 HE3 MET 88 2HE MET 88 -2.659 -3.978 -8.974 695 H PHE 89 H PHE 89 -5.007 -1.892 -3.728 696 HA PHE 89 HA PHE 89 -7.649 -2.503 -2.581 697 HB2 PHE 89 2HB PHE 89 -5.987 -0.033 -2.036 698 HB3 PHE 89 1HB PHE 89 -7.606 -0.340 -1.418 699 HD1 PHE 89 1HD PHE 89 -7.896 -2.492 0.002 700 HD2 PHE 89 2HD PHE 89 -4.151 -0.627 -0.775 701 HE1 PHE 89 1HE PHE 89 -6.934 -3.611 1.971 702 HE2 PHE 89 2HE PHE 89 -3.181 -1.744 1.191 703 HZ PHE 89 HZ PHE 89 -4.574 -3.239 2.567 704 H SER 90 H SER 90 -9.338 -1.781 -3.736 705 HA SER 90 HA SER 90 -8.758 -0.094 -6.066 706 HB2 SER 90 2HB SER 90 -9.787 -2.077 -6.804 707 HB3 SER 90 1HB SER 90 -10.931 -2.087 -5.463 708 HG SER 90 HG SER 90 -11.335 -1.137 -7.856 709 H PHE 91 H PHE 91 -9.139 1.995 -5.784 710 HA PHE 91 HA PHE 91 -11.046 2.914 -3.810 711 HB2 PHE 91 2HB PHE 91 -9.043 4.266 -5.598 712 HB3 PHE 91 1HB PHE 91 -10.268 5.207 -4.751 713 HD1 PHE 91 1HD PHE 91 -8.320 2.234 -3.645 714 HD2 PHE 91 2HD PHE 91 -9.155 6.369 -3.092 715 HE1 PHE 91 1HE PHE 91 -6.920 2.240 -1.626 716 HE2 PHE 91 2HE PHE 91 -7.758 6.384 -1.070 717 HZ PHE 91 HZ PHE 91 -6.638 4.319 -0.329 718 H ASN 92 H ASN 92 -12.927 4.062 -4.213 719 HA ASN 92 HA ASN 92 -13.894 3.941 -6.996 720 HB2 ASN 92 2HB ASN 92 -16.152 3.646 -6.091 721 HB3 ASN 92 1HB ASN 92 -15.074 2.378 -5.517 722 HD21 ASN 92 1HD2 ASN 92 -14.209 2.594 -3.359 723 HD22 ASN 92 2HD2 ASN 92 -15.137 3.408 -2.150 724 H ASN 93 H ASN 93 -12.470 6.171 -6.183 725 HA ASN 93 HA ASN 93 -14.194 8.255 -6.878 726 HB2 ASN 93 2HB ASN 93 -14.701 7.607 -4.298 727 HB3 ASN 93 1HB ASN 93 -13.423 8.797 -4.074 728 HD21 ASN 93 1HD2 ASN 93 -16.067 9.127 -3.217 729 HD22 ASN 93 2HD2 ASN 93 -16.765 10.446 -4.106 730 H ARG 94 H ARG 94 -13.153 10.423 -6.641 731 HA ARG 94 HA ARG 94 -10.288 10.140 -7.100 732 HB2 ARG 94 2HB ARG 94 -10.528 12.592 -7.795 733 HB3 ARG 94 1HB ARG 94 -11.312 11.386 -8.808 734 HG2 ARG 94 2HG ARG 94 -13.420 12.028 -8.179 735 HG3 ARG 94 1HG ARG 94 -12.879 12.672 -6.628 736 HD2 ARG 94 2HD ARG 94 -11.556 14.295 -8.347 737 HD3 ARG 94 1HD ARG 94 -13.018 13.956 -9.272 738 HE ARG 94 HE ARG 94 -13.977 14.616 -6.835 739 HH11 ARG 94 1HH1 ARG 94 -11.735 16.173 -9.009 740 HH12 ARG 94 2HH1 ARG 94 -12.148 17.772 -8.489 741 HH21 ARG 94 1HH2 ARG 94 -14.522 16.719 -6.150 742 HH22 ARG 94 2HH2 ARG 94 -13.731 18.083 -6.866 743 H THR 95 H THR 95 -12.537 11.658 -4.893 744 HA THR 95 HA THR 95 -10.533 13.191 -3.535 745 HB THR 95 HB THR 95 -13.414 12.892 -3.448 746 HG1 THR 95 1HG THR 95 -13.270 14.998 -3.425 747 HG21 THR 95 3HG2 THR 95 -11.944 13.182 -0.861 748 HG22 THR 95 1HG2 THR 95 -13.294 12.115 -1.248 749 HG23 THR 95 2HG2 THR 95 -13.556 13.855 -1.110 750 H VAL 96 H VAL 96 -11.840 9.995 -3.262 751 HA VAL 96 HA VAL 96 -11.038 9.551 -0.555 752 HB VAL 96 HB VAL 96 -12.831 8.232 -1.635 753 HG11 VAL 96 1HG1 VAL 96 -12.569 7.078 -3.524 754 HG12 VAL 96 2HG1 VAL 96 -11.064 6.350 -2.969 755 HG13 VAL 96 3HG1 VAL 96 -11.046 7.947 -3.717 756 HG21 VAL 96 3HG2 VAL 96 -12.174 6.065 -0.715 757 HG22 VAL 96 1HG2 VAL 96 -11.703 7.384 0.356 758 HG23 VAL 96 2HG2 VAL 96 -10.493 6.595 -0.657 759 H MET 97 H MET 97 -9.510 9.211 -3.676 760 HA MET 97 HA MET 97 -7.333 7.607 -2.736 761 HB2 MET 97 2HB MET 97 -6.302 8.173 -4.936 762 HB3 MET 97 1HB MET 97 -7.906 7.466 -5.062 763 HG2 MET 97 2HG MET 97 -8.872 9.444 -5.740 764 HG3 MET 97 1HG MET 97 -7.590 10.430 -5.037 765 HE1 MET 97 3HE MET 97 -5.173 9.969 -5.690 766 HE2 MET 97 1HE MET 97 -5.381 11.314 -6.811 767 HE3 MET 97 2HE MET 97 -4.623 9.818 -7.359 768 H ASP 98 H ASP 98 -7.958 10.994 -3.164 769 HA ASP 98 HA ASP 98 -5.268 11.852 -2.705 770 HB2 ASP 98 2HB ASP 98 -6.968 13.181 -3.972 771 HB3 ASP 98 1HB ASP 98 -7.810 13.471 -2.453 772 H ASN 99 H ASN 99 -7.990 11.078 -0.694 773 HA ASN 99 HA ASN 99 -6.960 12.439 1.633 774 HB2 ASN 99 2HB ASN 99 -9.313 10.658 1.088 775 HB3 ASN 99 1HB ASN 99 -8.832 11.000 2.747 776 HD21 ASN 99 1HD2 ASN 99 -11.125 11.783 0.848 777 HD22 ASN 99 2HD2 ASN 99 -11.281 13.493 1.112 778 H ILE 100 H ILE 100 -6.891 9.208 0.292 779 HA ILE 100 HA ILE 100 -5.740 8.059 2.693 780 HB ILE 100 HB ILE 100 -6.151 6.832 -0.037 781 HG12 ILE 100 2HG1 ILE 100 -8.218 7.576 1.243 782 HG13 ILE 100 1HG1 ILE 100 -8.158 5.874 0.798 783 HG21 ILE 100 1HG2 ILE 100 -6.072 4.725 1.587 784 HG22 ILE 100 2HG2 ILE 100 -5.018 5.806 2.499 785 HG23 ILE 100 3HG2 ILE 100 -4.625 5.392 0.830 786 HD11 ILE 100 3HD1 ILE 100 -7.619 7.066 3.503 787 HD12 ILE 100 1HD1 ILE 100 -7.359 5.372 3.092 788 HD13 ILE 100 2HD1 ILE 100 -8.983 6.055 3.026 789 H LYS 101 H LYS 101 -4.701 8.595 -0.670 790 HA LYS 101 HA LYS 101 -2.089 7.669 -0.406 791 HB2 LYS 101 2HB LYS 101 -3.383 8.320 -2.523 792 HB3 LYS 101 1HB LYS 101 -2.843 9.962 -2.201 793 HG2 LYS 101 2HG LYS 101 -0.482 8.961 -2.136 794 HG3 LYS 101 1HG LYS 101 -1.212 7.558 -2.918 795 HD2 LYS 101 2HD LYS 101 -0.696 8.688 -4.805 796 HD3 LYS 101 1HD LYS 101 -2.210 9.527 -4.460 797 HE2 LYS 101 2HE LYS 101 -1.168 11.442 -3.853 798 HE3 LYS 101 1HE LYS 101 0.206 10.595 -3.143 799 HZ1 LYS 101 3HZ LYS 101 1.002 10.138 -5.405 800 HZ2 LYS 101 1HZ LYS 101 0.903 11.797 -5.087 801 HZ3 LYS 101 2HZ LYS 101 -0.278 11.046 -6.038 802 H MET 102 H MET 102 -3.455 10.828 0.343 803 HA MET 102 HA MET 102 -0.864 11.991 0.844 804 HB2 MET 102 2HB MET 102 -3.669 13.021 1.210 805 HB3 MET 102 1HB MET 102 -2.245 13.950 1.658 806 HG2 MET 102 2HG MET 102 -1.583 13.336 -0.856 807 HG3 MET 102 1HG MET 102 -3.338 13.317 -1.007 808 HE1 MET 102 3HE MET 102 -4.818 14.896 -0.446 809 HE2 MET 102 1HE MET 102 -4.557 16.347 -1.414 810 HE3 MET 102 2HE MET 102 -4.520 16.443 0.347 811 H THR 103 H THR 103 -3.380 10.490 2.696 812 HA THR 103 HA THR 103 -2.309 11.405 5.225 813 HB THR 103 HB THR 103 -4.528 9.454 4.583 814 HG1 THR 103 1HG THR 103 -4.851 11.730 4.120 815 HG21 THR 103 3HG2 THR 103 -4.939 10.430 7.137 816 HG22 THR 103 1HG2 THR 103 -3.229 9.999 7.102 817 HG23 THR 103 2HG2 THR 103 -4.451 8.794 6.695 818 H LEU 104 H LEU 104 -2.272 8.467 3.288 819 HA LEU 104 HA LEU 104 -1.154 6.789 5.255 820 HB2 LEU 104 2HB LEU 104 -1.562 6.696 2.342 821 HB3 LEU 104 1HB LEU 104 -0.201 5.754 2.916 822 HG LEU 104 HG LEU 104 -1.583 4.371 4.257 823 HD11 LEU 104 1HD1 LEU 104 -4.170 4.946 4.104 824 HD12 LEU 104 2HD1 LEU 104 -3.532 6.584 3.963 825 HD13 LEU 104 3HD1 LEU 104 -3.133 5.601 5.372 826 HD21 LEU 104 3HD2 LEU 104 -3.323 3.590 2.608 827 HD22 LEU 104 1HD2 LEU 104 -1.673 3.676 1.995 828 HD23 LEU 104 2HD2 LEU 104 -2.834 4.936 1.580 829 H GLN 105 H GLN 105 0.422 8.462 2.518 830 HA GLN 105 HA GLN 105 3.058 7.874 3.190 831 HB2 GLN 105 2HB GLN 105 3.670 9.875 1.885 832 HB3 GLN 105 1HB GLN 105 2.473 8.887 1.058 833 HG2 GLN 105 2HG GLN 105 0.723 10.447 1.961 834 HG3 GLN 105 1HG GLN 105 2.041 11.492 2.489 835 HE21 GLN 105 1HE2 GLN 105 1.352 9.610 -0.440 836 HE22 GLN 105 2HE2 GLN 105 1.589 10.927 -1.545 837 H GLN 106 H GLN 106 0.824 10.091 4.634 838 HA GLN 106 HA GLN 106 2.658 11.787 5.933 839 HB2 GLN 106 2HB GLN 106 -0.199 11.275 6.035 840 HB3 GLN 106 1HB GLN 106 0.456 11.590 7.636 841 HG2 GLN 106 2HG GLN 106 0.558 13.371 5.219 842 HG3 GLN 106 1HG GLN 106 -0.283 13.656 6.742 843 HE21 GLN 106 1HE2 GLN 106 2.714 13.794 5.053 844 HE22 GLN 106 2HE2 GLN 106 3.628 14.589 6.297 845 H ILE 107 H ILE 107 1.347 8.657 6.686 846 HA ILE 107 HA ILE 107 2.522 8.538 9.324 847 HB ILE 107 HB ILE 107 1.248 6.396 7.609 848 HG12 ILE 107 2HG1 ILE 107 -0.227 6.858 9.961 849 HG13 ILE 107 1HG1 ILE 107 0.191 8.453 9.341 850 HG21 ILE 107 1HG2 ILE 107 2.816 5.336 9.073 851 HG22 ILE 107 2HG2 ILE 107 1.192 5.059 9.704 852 HG23 ILE 107 3HG2 ILE 107 2.235 6.270 10.452 853 HD11 ILE 107 3HD1 ILE 107 -1.541 6.354 8.173 854 HD12 ILE 107 1HD1 ILE 107 -0.643 7.400 7.074 855 HD13 ILE 107 2HD1 ILE 107 -1.763 8.102 8.242 856 H ILE 108 H ILE 108 3.189 7.385 6.092 857 HA ILE 108 HA ILE 108 5.331 5.661 6.549 858 HB ILE 108 HB ILE 108 5.033 7.554 4.215 859 HG12 ILE 108 2HG1 ILE 108 3.777 4.860 4.727 860 HG13 ILE 108 1HG1 ILE 108 2.960 6.398 4.484 861 HG21 ILE 108 1HG2 ILE 108 7.198 6.371 4.412 862 HG22 ILE 108 2HG2 ILE 108 6.285 5.960 2.959 863 HG23 ILE 108 3HG2 ILE 108 6.323 4.840 4.322 864 HD11 ILE 108 3HD1 ILE 108 4.648 5.784 2.240 865 HD12 ILE 108 1HD1 ILE 108 2.915 6.102 2.294 866 HD13 ILE 108 2HD1 ILE 108 3.521 4.468 2.567 867 H SER 109 H SER 109 5.369 9.098 5.709 868 HA SER 109 HA SER 109 8.070 9.597 5.791 869 HB2 SER 109 2HB SER 109 5.706 11.322 6.477 870 HB3 SER 109 1HB SER 109 7.350 11.952 6.588 871 HG SER 109 HG SER 109 7.370 12.130 4.503 872 H ARG 110 H ARG 110 5.941 9.006 8.448 873 HA ARG 110 HA ARG 110 7.397 10.156 10.541 874 HB2 ARG 110 2HB ARG 110 5.794 7.599 10.694 875 HB3 ARG 110 1HB ARG 110 6.175 8.691 12.018 876 HG2 ARG 110 2HG ARG 110 4.827 10.442 10.917 877 HG3 ARG 110 1HG ARG 110 4.387 9.276 9.667 878 HD2 ARG 110 2HD ARG 110 2.633 9.439 11.345 879 HD3 ARG 110 1HD ARG 110 3.373 7.838 11.371 880 HE ARG 110 HE ARG 110 4.734 9.317 13.250 881 HH11 ARG 110 1HH1 ARG 110 1.422 8.351 12.722 882 HH12 ARG 110 2HH1 ARG 110 1.028 8.329 14.408 883 HH21 ARG 110 1HH2 ARG 110 4.217 9.288 15.468 884 HH22 ARG 110 2HH2 ARG 110 2.614 8.862 15.967 885 H TYR 111 H TYR 111 7.843 7.173 8.782 886 HA TYR 111 HA TYR 111 10.010 6.372 10.589 887 HB2 TYR 111 2HB TYR 111 9.256 4.689 8.252 888 HB3 TYR 111 1HB TYR 111 9.735 4.208 9.875 889 HD1 TYR 111 1HD TYR 111 7.996 4.751 11.765 890 HD2 TYR 111 2HD TYR 111 7.035 4.500 7.629 891 HE1 TYR 111 1HE TYR 111 5.638 4.351 12.343 892 HE2 TYR 111 2HE TYR 111 4.676 4.100 8.194 893 HH TYR 111 HH TYR 111 3.442 4.544 11.355 894 H LYS 112 H LYS 112 10.108 8.610 8.593 895 HA LYS 112 HA LYS 112 12.305 7.611 6.907 896 HB2 LYS 112 2HB LYS 112 10.141 8.736 5.933 897 HB3 LYS 112 1HB LYS 112 10.938 10.228 6.411 898 HG2 LYS 112 2HG LYS 112 12.466 10.099 4.766 899 HG3 LYS 112 1HG LYS 112 12.596 8.343 4.879 900 HD2 LYS 112 2HD LYS 112 11.637 9.037 2.735 901 HD3 LYS 112 1HD LYS 112 10.482 8.098 3.685 902 HE2 LYS 112 2HE LYS 112 9.222 9.880 2.853 903 HE3 LYS 112 1HE LYS 112 9.608 10.361 4.505 904 HZ1 LYS 112 3HZ LYS 112 11.185 11.887 3.768 905 HZ2 LYS 112 1HZ LYS 112 9.910 12.078 2.672 906 HZ3 LYS 112 2HZ LYS 112 11.288 11.204 2.225 907 H ASP 113 H ASP 113 11.316 10.741 8.306 908 HA ASP 113 HA ASP 113 13.909 11.795 8.453 909 HB2 ASP 113 2HB ASP 113 11.379 12.473 9.953 910 HB3 ASP 113 1HB ASP 113 12.871 13.390 10.140 911 H ALA 114 H ALA 114 12.085 9.791 10.666 912 HA ALA 114 HA ALA 114 13.740 10.155 12.938 913 HB1 ALA 114 1HB ALA 114 11.343 9.022 12.582 914 HB2 ALA 114 2HB ALA 114 12.370 8.678 13.974 915 HB3 ALA 114 3HB ALA 114 12.343 7.570 12.602 916 H ASP 115 H ASP 115 13.798 7.895 10.235 917 HA ASP 115 HA ASP 115 16.007 6.395 11.349 918 HB2 ASP 115 2HB ASP 115 14.064 5.569 9.774 919 HB3 ASP 115 1HB ASP 115 15.138 6.134 8.497 920 H TYR 90 1HT TYR 90 3.272 -1.024 -18.877 921 HA TYR 90 HA TYR 90 5.227 -2.791 -17.591 922 HB2 TYR 90 2HB TYR 90 5.941 -0.472 -18.799 923 HB3 TYR 90 1HB TYR 90 5.421 0.143 -17.234 924 HD1 TYR 90 1HD TYR 90 7.355 -2.848 -18.387 925 HD2 TYR 90 2HD TYR 90 7.189 0.537 -15.816 926 HE1 TYR 90 1HE TYR 90 9.530 -3.478 -17.428 927 HE2 TYR 90 2HE TYR 90 9.363 -0.083 -14.850 928 HH TYR 90 HH TYR 90 11.484 -2.047 -16.200 929 H ASP 91 H ASP 91 5.404 -1.911 -15.235 930 HA ASP 91 HA ASP 91 2.689 -1.848 -14.193 931 HB2 ASP 91 2HB ASP 91 4.329 -3.436 -13.246 932 HB3 ASP 91 1HB ASP 91 5.328 -2.080 -12.729 933 H SER 92 H SER 92 5.513 0.194 -14.425 934 HA SER 92 HA SER 92 4.704 2.141 -12.526 935 HB2 SER 92 2HB SER 92 7.034 1.954 -13.243 936 HB3 SER 92 1HB SER 92 6.580 2.388 -14.890 937 HG SER 92 HG SER 92 6.184 4.433 -14.260 938 H GLU 93 H GLU 93 4.014 1.623 -15.910 939 HA GLU 93 HA GLU 93 2.913 4.223 -16.378 940 HB2 GLU 93 2HB GLU 93 3.856 2.717 -18.155 941 HB3 GLU 93 1HB GLU 93 2.436 1.698 -17.965 942 HG2 GLU 93 2HG GLU 93 0.994 3.437 -18.722 943 HG3 GLU 93 1HG GLU 93 2.309 4.611 -18.699 944 H GLU 94 H GLU 94 1.509 0.995 -15.865 945 HA GLU 94 HA GLU 94 -1.180 1.983 -15.848 946 HB2 GLU 94 2HB GLU 94 0.050 -0.672 -15.127 947 HB3 GLU 94 1HB GLU 94 -1.670 -0.356 -14.954 948 HG2 GLU 94 2HG GLU 94 -1.895 0.031 -17.309 949 HG3 GLU 94 1HG GLU 94 -0.149 -0.084 -17.535 950 H PHE 95 H PHE 95 1.274 1.351 -13.446 951 HA PHE 95 HA PHE 95 -0.528 2.448 -11.400 952 HB2 PHE 95 2HB PHE 95 0.157 -0.191 -11.438 953 HB3 PHE 95 1HB PHE 95 1.439 0.475 -10.430 954 HD1 PHE 95 2HD PHE 95 0.251 2.464 -8.818 955 HD2 PHE 95 1HD PHE 95 -1.447 -1.199 -10.160 956 HE1 PHE 95 2HE PHE 95 -1.272 2.466 -6.884 957 HE2 PHE 95 1HE PHE 95 -2.973 -1.205 -8.230 958 HZ PHE 95 HZ PHE 95 -2.886 0.629 -6.589 959 H GLU 96 H GLU 96 0.348 3.981 -10.120 960 HA GLU 96 HA GLU 96 3.147 4.691 -10.628 961 HB2 GLU 96 2HB GLU 96 1.205 6.346 -10.926 962 HB3 GLU 96 1HB GLU 96 1.133 6.388 -9.169 963 HG2 GLU 96 2HG GLU 96 2.427 8.242 -9.865 964 HG3 GLU 96 1HG GLU 96 3.538 7.063 -9.170 965 H ASP 97 H ASP 97 4.666 4.728 -9.056 966 HA ASP 97 HA ASP 97 3.910 3.580 -6.476 967 HB2 ASP 97 2HB ASP 97 5.876 2.791 -8.039 968 HB3 ASP 97 1HB ASP 97 6.749 4.108 -7.262 969 H VAL 98 H VAL 98 4.187 4.591 -4.549 970 HA VAL 98 HA VAL 98 4.677 7.465 -4.643 971 HB VAL 98 HB VAL 98 3.806 5.817 -2.267 972 HG11 VAL 98 1HG1 VAL 98 2.859 8.041 -1.553 973 HG12 VAL 98 2HG1 VAL 98 3.778 8.766 -2.872 974 HG13 VAL 98 3HG1 VAL 98 4.618 7.932 -1.565 975 HG21 VAL 98 3HG2 VAL 98 1.511 6.613 -2.825 976 HG22 VAL 98 1HG2 VAL 98 2.177 5.471 -3.992 977 HG23 VAL 98 2HG2 VAL 98 2.138 7.193 -4.368 978 H THR 99 H THR 99 6.009 8.471 -2.938 979 HA THR 99 HA THR 99 8.623 7.676 -2.947 980 HB THR 99 HB THR 99 7.841 9.891 -2.197 981 HG1 THR 99 1HG THR 99 9.439 10.163 -0.699 982 HG21 THR 99 3HG2 THR 99 7.123 10.263 0.080 983 HG22 THR 99 1HG2 THR 99 7.144 8.528 0.393 984 HG23 THR 99 2HG2 THR 99 5.989 9.202 -0.756 985 H ASP 100 H ASP 100 9.772 6.100 -2.045 986 HA ASP 100 HA ASP 100 8.498 4.389 -0.058 987 HB2 ASP 100 2HB ASP 100 10.409 2.860 -0.513 988 HB3 ASP 100 1HB ASP 100 9.485 3.260 -1.957 989 H GLY 101 H GLY 101 11.523 6.206 -0.492 990 HA2 GLY 101 2HA GLY 101 11.678 7.146 2.119 991 HA3 GLY 101 1HA GLY 101 12.557 5.625 2.084 992 H ASN 102 H ASN 102 14.650 6.131 2.134 993 HA ASN 102 HA ASN 102 15.772 7.628 -0.069 994 HB2 ASN 102 2HB ASN 102 15.141 9.162 2.037 995 HB3 ASN 102 1HB ASN 102 16.715 8.589 2.581 996 HD21 ASN 102 1HD2 ASN 102 16.901 11.054 2.368 997 HD22 ASN 102 2HD2 ASN 102 17.546 11.625 0.870 998 H GLU 103 H GLU 103 15.881 4.906 0.932 999 HA GLU 103 HA GLU 103 18.788 4.681 1.152 1000 HB2 GLU 103 2HB GLU 103 17.404 4.462 3.416 1001 HB3 GLU 103 1HB GLU 103 17.170 2.823 2.826 1002 HG2 GLU 103 2HG GLU 103 19.389 2.285 3.023 1003 HG3 GLU 103 1HG GLU 103 19.919 3.960 2.877 1004 H VAL 104 H VAL 104 18.756 3.999 -1.014 1005 HA VAL 104 HA VAL 104 17.136 1.863 -1.950 1006 HB VAL 104 HB VAL 104 18.758 1.796 -3.869 1007 HG11 VAL 104 1HG1 VAL 104 18.283 4.377 -4.375 1008 HG12 VAL 104 2HG1 VAL 104 17.197 4.156 -3.004 1009 HG13 VAL 104 3HG1 VAL 104 17.025 3.142 -4.438 1010 HG21 VAL 104 3HG2 VAL 104 20.565 2.822 -2.178 1011 HG22 VAL 104 1HG2 VAL 104 20.005 4.310 -2.939 1012 HG23 VAL 104 2HG2 VAL 104 20.670 3.009 -3.928 Start of MODEL 4 1 H2 PRO 1 1HT PRO 1 -11.497 11.003 7.785 2 H3 PRO 1 2HT PRO 1 -12.582 9.816 7.439 3 HA PRO 1 HA PRO 1 -12.923 10.457 5.501 4 HB2 PRO 1 2HB PRO 1 -12.796 13.266 5.403 5 HB3 PRO 1 1HB PRO 1 -14.254 12.267 5.411 6 HG2 PRO 1 2HG PRO 1 -12.880 13.629 7.670 7 HG3 PRO 1 1HG PRO 1 -14.610 13.333 7.418 8 HD2 PRO 1 2HD PRO 1 -13.233 11.893 9.189 9 HD3 PRO 1 1HD PRO 1 -14.469 11.129 8.172 10 H SER 2 H SER 2 -10.727 12.701 7.097 11 HA SER 2 HA SER 2 -8.984 13.033 4.898 12 HB2 SER 2 2HB SER 2 -7.381 13.616 6.999 13 HB3 SER 2 1HB SER 2 -8.588 14.732 6.360 14 HG SER 2 HG SER 2 -8.960 12.921 8.515 15 H HIS 3 H HIS 3 -8.679 11.059 7.849 16 HA HIS 3 HA HIS 3 -6.581 9.504 6.493 17 HB2 HIS 3 2HB HIS 3 -5.763 8.872 8.675 18 HB3 HIS 3 1HB HIS 3 -5.937 10.622 8.627 19 HD1 HIS 3 1HD HIS 3 -8.307 11.489 9.747 20 HD2 HIS 3 2HD HIS 3 -6.917 7.728 10.835 21 HE1 HIS 3 1HE HIS 3 -9.503 10.925 11.885 22 HE2 HIS 3 2HE HIS 3 -8.581 8.682 12.570 23 H SER 4 H SER 4 -9.203 8.986 5.790 24 HA SER 4 HA SER 4 -9.380 6.217 6.157 25 HB2 SER 4 2HB SER 4 -11.452 6.097 7.537 26 HB3 SER 4 1HB SER 4 -10.058 6.694 8.437 27 HG SER 4 HG SER 4 -10.858 8.807 8.136 28 H GLY 5 H GLY 5 -10.493 5.435 4.468 29 HA2 GLY 5 2HA GLY 5 -12.799 6.905 3.442 30 HA3 GLY 5 1HA GLY 5 -11.440 6.700 2.344 31 H ALA 6 H ALA 6 -13.986 5.672 1.789 32 HA ALA 6 HA ALA 6 -14.171 2.932 2.545 33 HB1 ALA 6 1HB ALA 6 -16.213 3.848 1.966 34 HB2 ALA 6 2HB ALA 6 -15.803 2.898 0.536 35 HB3 ALA 6 3HB ALA 6 -15.564 4.646 0.531 36 H ALA 7 H ALA 7 -12.655 1.525 1.983 37 HA ALA 7 HA ALA 7 -11.582 1.637 -0.762 38 HB1 ALA 7 1HB ALA 7 -9.579 0.591 0.048 39 HB2 ALA 7 2HB ALA 7 -10.298 0.343 1.639 40 HB3 ALA 7 3HB ALA 7 -9.938 1.978 1.080 41 H ILE 8 H ILE 8 -10.916 -0.503 -1.661 42 HA ILE 8 HA ILE 8 -12.862 -2.591 -0.920 43 HB ILE 8 HB ILE 8 -11.788 -2.008 -3.679 44 HG12 ILE 8 2HG1 ILE 8 -14.125 -1.014 -2.166 45 HG13 ILE 8 1HG1 ILE 8 -13.257 -0.277 -3.506 46 HG21 ILE 8 1HG2 ILE 8 -12.533 -4.405 -2.931 47 HG22 ILE 8 2HG2 ILE 8 -13.043 -3.759 -4.487 48 HG23 ILE 8 3HG2 ILE 8 -14.153 -3.738 -3.119 49 HD11 ILE 8 3HD1 ILE 8 -15.549 -0.762 -4.104 50 HD12 ILE 8 1HD1 ILE 8 -15.307 -2.463 -3.712 51 HD13 ILE 8 2HD1 ILE 8 -14.437 -1.737 -5.064 52 H PHE 9 H PHE 9 -12.162 -4.695 -0.804 53 HA PHE 9 HA PHE 9 -9.400 -5.303 -1.549 54 HB2 PHE 9 2HB PHE 9 -9.826 -4.627 0.999 55 HB3 PHE 9 1HB PHE 9 -10.303 -6.317 1.100 56 HD1 PHE 9 2HD PHE 9 -8.330 -7.363 -0.976 57 HD2 PHE 9 1HD PHE 9 -7.885 -4.726 2.335 58 HE1 PHE 9 2HE PHE 9 -5.967 -8.016 -0.779 59 HE2 PHE 9 1HE PHE 9 -5.521 -5.373 2.537 60 HZ PHE 9 HZ PHE 9 -4.559 -7.021 0.979 61 H GLU 10 H GLU 10 -9.480 -7.045 -2.794 62 HA GLU 10 HA GLU 10 -9.932 -9.143 -3.544 63 HB2 GLU 10 2HB GLU 10 -11.593 -9.546 -1.060 64 HB3 GLU 10 1HB GLU 10 -10.897 -10.786 -2.092 65 HG2 GLU 10 2HG GLU 10 -9.424 -8.886 -0.287 66 HG3 GLU 10 1HG GLU 10 -9.608 -10.628 -0.086 67 H LYS 11 H LYS 11 -11.517 -6.899 -4.273 68 HA LYS 11 HA LYS 11 -13.276 -6.538 -5.676 69 HB2 LYS 11 2HB LYS 11 -14.265 -9.324 -5.091 70 HB3 LYS 11 1HB LYS 11 -14.642 -8.315 -6.479 71 HG2 LYS 11 2HG LYS 11 -12.616 -8.708 -7.492 72 HG3 LYS 11 1HG LYS 11 -11.814 -9.113 -5.972 73 HD2 LYS 11 2HD LYS 11 -14.023 -10.902 -6.673 74 HD3 LYS 11 1HD LYS 11 -12.688 -10.922 -7.827 75 HE2 LYS 11 2HE LYS 11 -12.398 -11.289 -4.847 76 HE3 LYS 11 1HE LYS 11 -12.456 -12.604 -6.021 77 HZ1 LYS 11 3HZ LYS 11 -10.369 -12.191 -6.723 78 HZ2 LYS 11 1HZ LYS 11 -10.196 -11.510 -5.183 79 HZ3 LYS 11 2HZ LYS 11 -10.493 -10.516 -6.520 80 H VAL 12 H VAL 12 -13.462 -7.060 -2.427 81 HA VAL 12 HA VAL 12 -16.331 -6.447 -2.327 82 HB VAL 12 HB VAL 12 -15.505 -8.425 -1.017 83 HG11 VAL 12 1HG1 VAL 12 -13.749 -8.262 0.319 84 HG12 VAL 12 2HG1 VAL 12 -14.591 -7.058 1.291 85 HG13 VAL 12 3HG1 VAL 12 -13.603 -6.551 -0.075 86 HG21 VAL 12 3HG2 VAL 12 -17.475 -6.666 -0.461 87 HG22 VAL 12 1HG2 VAL 12 -16.548 -6.595 1.039 88 HG23 VAL 12 2HG2 VAL 12 -17.180 -8.139 0.464 89 H SER 13 H SER 13 -17.051 -4.558 -1.475 90 HA SER 13 HA SER 13 -15.070 -2.495 -1.073 91 HB2 SER 13 2HB SER 13 -17.158 -1.046 -0.754 92 HB3 SER 13 1HB SER 13 -16.924 -1.773 -2.344 93 HG SER 13 HG SER 13 -18.539 -3.165 -1.968 94 H GLY 14 H GLY 14 -14.813 -1.247 0.781 95 HA2 GLY 14 2HA GLY 14 -16.248 -1.952 3.199 96 HA3 GLY 14 1HA GLY 14 -14.550 -2.406 3.185 97 H ILE 15 H ILE 15 -14.081 -1.002 4.897 98 HA ILE 15 HA ILE 15 -13.955 1.824 4.087 99 HB ILE 15 HB ILE 15 -14.329 1.058 6.959 100 HG12 ILE 15 2HG1 ILE 15 -16.214 0.104 5.631 101 HG13 ILE 15 1HG1 ILE 15 -16.716 1.341 6.779 102 HG21 ILE 15 1HG2 ILE 15 -14.538 3.551 5.325 103 HG22 ILE 15 2HG2 ILE 15 -13.646 3.261 6.826 104 HG23 ILE 15 3HG2 ILE 15 -15.407 3.417 6.856 105 HD11 ILE 15 3HD1 ILE 15 -16.163 2.049 3.931 106 HD12 ILE 15 1HD1 ILE 15 -17.193 2.864 5.109 107 HD13 ILE 15 2HD1 ILE 15 -17.705 1.330 4.404 108 H ILE 16 H ILE 16 -11.941 2.493 4.012 109 HA ILE 16 HA ILE 16 -9.911 1.065 5.560 110 HB ILE 16 HB ILE 16 -9.946 2.365 2.956 111 HG12 ILE 16 2HG1 ILE 16 -8.031 0.486 4.347 112 HG13 ILE 16 1HG1 ILE 16 -9.367 0.027 3.300 113 HG21 ILE 16 1HG2 ILE 16 -7.710 3.288 2.979 114 HG22 ILE 16 2HG2 ILE 16 -7.578 2.977 4.710 115 HG23 ILE 16 3HG2 ILE 16 -8.748 4.154 4.109 116 HD11 ILE 16 3HD1 ILE 16 -6.695 0.519 2.592 117 HD12 ILE 16 1HD1 ILE 16 -7.657 1.821 1.890 118 HD13 ILE 16 2HD1 ILE 16 -8.051 0.140 1.529 119 H ALA 17 H ALA 17 -9.200 1.928 7.377 120 HA ALA 17 HA ALA 17 -9.169 4.845 7.650 121 HB1 ALA 17 1HB ALA 17 -11.288 3.771 8.611 122 HB2 ALA 17 2HB ALA 17 -10.383 4.887 9.640 123 HB3 ALA 17 3HB ALA 17 -10.228 3.147 9.882 124 H ILE 18 H ILE 18 -7.390 5.604 8.570 125 HA ILE 18 HA ILE 18 -5.311 3.780 9.351 126 HB ILE 18 HB ILE 18 -5.375 6.800 9.331 127 HG12 ILE 18 2HG1 ILE 18 -3.669 6.110 7.367 128 HG13 ILE 18 1HG1 ILE 18 -4.742 4.714 7.318 129 HG21 ILE 18 1HG2 ILE 18 -3.718 5.970 10.913 130 HG22 ILE 18 2HG2 ILE 18 -2.940 6.685 9.500 131 HG23 ILE 18 3HG2 ILE 18 -3.032 4.931 9.662 132 HD11 ILE 18 3HD1 ILE 18 -6.607 6.040 6.792 133 HD12 ILE 18 1HD1 ILE 18 -5.294 6.634 5.775 134 HD13 ILE 18 2HD1 ILE 18 -5.766 7.531 7.218 135 H ASN 19 H ASN 19 -4.760 3.171 11.334 136 HA ASN 19 HA ASN 19 -6.213 4.270 13.610 137 HB2 ASN 19 2HB ASN 19 -5.629 1.714 12.988 138 HB3 ASN 19 1HB ASN 19 -4.237 2.093 13.998 139 HD21 ASN 19 1HD2 ASN 19 -4.684 2.963 16.143 140 HD22 ASN 19 2HD2 ASN 19 -6.099 2.430 16.978 141 H GLU 20 H GLU 20 -5.242 6.239 13.991 142 HA GLU 20 HA GLU 20 -2.357 6.295 14.451 143 HB2 GLU 20 2HB GLU 20 -4.430 8.481 14.261 144 HB3 GLU 20 1HB GLU 20 -2.755 8.780 14.701 145 HG2 GLU 20 2HG GLU 20 -2.376 7.402 12.437 146 HG3 GLU 20 1HG GLU 20 -3.944 8.128 12.084 147 H ASP 21 H ASP 21 -4.316 4.979 16.270 148 HA ASP 21 HA ASP 21 -3.975 6.620 18.678 149 HB2 ASP 21 2HB ASP 21 -5.891 4.449 17.914 150 HB3 ASP 21 1HB ASP 21 -5.554 4.744 19.616 151 H VAL 22 H VAL 22 -2.532 4.085 17.047 152 HA VAL 22 HA VAL 22 -1.553 2.834 19.526 153 HB VAL 22 HB VAL 22 -0.789 0.981 18.159 154 HG11 VAL 22 1HG1 VAL 22 -3.360 1.505 18.765 155 HG12 VAL 22 2HG1 VAL 22 -2.820 0.012 17.997 156 HG13 VAL 22 3HG1 VAL 22 -3.483 1.318 17.015 157 HG21 VAL 22 3HG2 VAL 22 -1.505 0.992 15.696 158 HG22 VAL 22 1HG2 VAL 22 -0.081 1.931 16.145 159 HG23 VAL 22 2HG2 VAL 22 -1.624 2.743 15.875 160 H SER 23 H SER 23 0.844 1.868 18.928 161 HA SER 23 HA SER 23 2.519 4.149 18.957 162 HB2 SER 23 2HB SER 23 2.860 1.265 19.229 163 HB3 SER 23 1HB SER 23 4.190 2.011 18.343 164 HG SER 23 HG SER 23 3.269 2.592 20.952 165 HA PRO 24 HA PRO 24 3.633 3.280 14.466 166 HB2 PRO 24 2HB PRO 24 3.394 0.907 13.333 167 HB3 PRO 24 1HB PRO 24 4.630 1.163 14.573 168 HG2 PRO 24 2HG PRO 24 1.985 -0.206 14.787 169 HG3 PRO 24 1HG PRO 24 3.532 -0.633 15.539 170 HD2 PRO 24 2HD PRO 24 1.440 0.793 16.759 171 HD3 PRO 24 1HD PRO 24 3.107 0.668 17.348 172 H ALA 25 H ALA 25 2.102 4.543 13.515 173 HA ALA 25 HA ALA 25 -0.611 4.176 13.409 174 HB1 ALA 25 1HB ALA 25 -0.266 6.216 12.580 175 HB2 ALA 25 2HB ALA 25 -0.133 5.420 11.012 176 HB3 ALA 25 3HB ALA 25 1.322 5.790 11.940 177 H GLU 26 H GLU 26 -1.836 2.633 12.611 178 HA GLU 26 HA GLU 26 -0.846 1.063 10.324 179 HB2 GLU 26 2HB GLU 26 -2.983 0.213 12.271 180 HB3 GLU 26 1HB GLU 26 -2.093 -0.790 11.134 181 HG2 GLU 26 2HG GLU 26 -0.023 -0.288 12.433 182 HG3 GLU 26 1HG GLU 26 -1.039 0.513 13.630 183 H LEU 27 H LEU 27 -2.712 0.032 9.073 184 HA LEU 27 HA LEU 27 -4.827 2.019 8.585 185 HB2 LEU 27 2HB LEU 27 -3.138 1.979 6.791 186 HB3 LEU 27 1HB LEU 27 -3.403 0.262 6.584 187 HG LEU 27 HG LEU 27 -5.921 1.557 6.309 188 HD11 LEU 27 1HD1 LEU 27 -4.010 2.655 4.295 189 HD12 LEU 27 2HD1 LEU 27 -4.268 3.507 5.818 190 HD13 LEU 27 3HD1 LEU 27 -5.626 3.212 4.733 191 HD21 LEU 27 3HD2 LEU 27 -4.627 -0.546 5.206 192 HD22 LEU 27 1HD2 LEU 27 -4.500 0.636 3.901 193 HD23 LEU 27 2HD2 LEU 27 -6.085 0.185 4.529 194 H THR 28 H THR 28 -6.672 1.141 9.367 195 HA THR 28 HA THR 28 -7.023 -1.764 9.159 196 HB THR 28 HB THR 28 -8.797 0.052 10.755 197 HG1 THR 28 1HG THR 28 -6.789 0.580 11.501 198 HG21 THR 28 3HG2 THR 28 -7.959 -2.482 11.901 199 HG22 THR 28 1HG2 THR 28 -8.832 -2.661 10.380 200 HG23 THR 28 2HG2 THR 28 -9.572 -1.790 11.723 201 H TRP 29 H TRP 29 -8.145 -2.473 7.488 202 HA TRP 29 HA TRP 29 -10.195 -0.815 6.270 203 HB2 TRP 29 2HB TRP 29 -8.680 -1.835 4.706 204 HB3 TRP 29 1HB TRP 29 -8.906 -3.421 5.440 205 HD1 TRP 29 HD TRP 29 -11.015 -0.787 3.579 206 HE1 TRP 29 1HE TRP 29 -12.793 -2.018 2.161 207 HE3 TRP 29 3HE TRP 29 -10.009 -5.566 5.038 208 HZ2 TRP 29 2HZ TRP 29 -13.647 -4.686 1.742 209 HZ3 TRP 29 3HZ TRP 29 -11.351 -7.402 4.099 210 HH2 TRP 29 HH TRP 29 -13.128 -6.969 2.489 211 H ARG 30 H ARG 30 -12.150 -0.964 7.174 212 HA ARG 30 HA ARG 30 -13.064 -3.602 8.117 213 HB2 ARG 30 2HB ARG 30 -14.194 -0.895 8.857 214 HB3 ARG 30 1HB ARG 30 -14.603 -2.444 9.579 215 HG2 ARG 30 2HG ARG 30 -12.189 -2.598 10.309 216 HG3 ARG 30 1HG ARG 30 -12.036 -0.907 9.828 217 HD2 ARG 30 2HD ARG 30 -13.973 -2.005 11.864 218 HD3 ARG 30 1HD ARG 30 -12.492 -1.115 12.219 219 HE ARG 30 HE ARG 30 -15.012 -0.025 11.369 220 HH11 ARG 30 1HH1 ARG 30 -11.564 0.502 11.495 221 HH12 ARG 30 2HH1 ARG 30 -11.698 2.226 11.394 222 HH21 ARG 30 1HH2 ARG 30 -15.190 2.242 11.236 223 HH22 ARG 30 2HH2 ARG 30 -13.756 3.214 11.248 224 H SER 31 H SER 31 -14.365 -4.590 6.714 225 HA SER 31 HA SER 31 -15.420 -3.589 4.406 226 HB2 SER 31 2HB SER 31 -16.622 -5.747 6.154 227 HB3 SER 31 1HB SER 31 -17.042 -5.463 4.463 228 HG SER 31 HG SER 31 -15.043 -6.110 3.849 229 H THR 32 H THR 32 -17.789 -3.348 3.838 230 HA THR 32 HA THR 32 -18.869 -1.174 5.299 231 HB THR 32 HB THR 32 -20.796 -2.398 3.566 232 HG1 THR 32 1HG THR 32 -18.264 -1.951 2.382 233 HG21 THR 32 3HG2 THR 32 -19.139 0.066 3.115 234 HG22 THR 32 1HG2 THR 32 -20.642 0.013 4.037 235 HG23 THR 32 2HG2 THR 32 -20.652 -0.358 2.313 236 H ASP 33 H ASP 33 -19.586 -4.559 4.972 237 HA ASP 33 HA ASP 33 -21.767 -4.375 6.865 238 HB2 ASP 33 2HB ASP 33 -21.752 -5.802 4.688 239 HB3 ASP 33 1HB ASP 33 -20.831 -6.948 5.657 240 H GLY 34 H GLY 34 -18.565 -5.746 6.573 241 HA2 GLY 34 2HA GLY 34 -17.191 -5.799 8.590 242 HA3 GLY 34 1HA GLY 34 -18.627 -6.295 9.474 243 H ASP 35 H ASP 35 -18.259 -7.714 6.389 244 HA ASP 35 HA ASP 35 -17.897 -10.310 7.571 245 HB2 ASP 35 2HB ASP 35 -18.480 -9.265 4.840 246 HB3 ASP 35 1HB ASP 35 -17.808 -10.887 4.981 247 H LYS 36 H LYS 36 -15.857 -7.896 6.256 248 HA LYS 36 HA LYS 36 -13.590 -9.736 6.481 249 HB2 LYS 36 2HB LYS 36 -13.834 -7.833 4.155 250 HB3 LYS 36 1HB LYS 36 -12.617 -9.078 4.403 251 HG2 LYS 36 2HG LYS 36 -14.503 -10.758 4.274 252 HG3 LYS 36 1HG LYS 36 -15.514 -9.430 3.701 253 HD2 LYS 36 2HD LYS 36 -14.795 -10.118 1.674 254 HD3 LYS 36 1HD LYS 36 -13.383 -9.139 2.078 255 HE2 LYS 36 2HE LYS 36 -12.552 -11.358 3.197 256 HE3 LYS 36 1HE LYS 36 -13.712 -12.105 2.100 257 HZ1 LYS 36 3HZ LYS 36 -11.806 -12.092 0.847 258 HZ2 LYS 36 1HZ LYS 36 -11.256 -10.619 1.470 259 HZ3 LYS 36 2HZ LYS 36 -12.518 -10.642 0.346 260 H VAL 37 H VAL 37 -11.660 -8.811 7.099 261 HA VAL 37 HA VAL 37 -11.580 -5.924 7.510 262 HB VAL 37 HB VAL 37 -12.338 -7.531 9.594 263 HG11 VAL 37 1HG1 VAL 37 -10.522 -7.698 11.169 264 HG12 VAL 37 2HG1 VAL 37 -9.407 -6.969 10.013 265 HG13 VAL 37 3HG1 VAL 37 -10.094 -8.560 9.691 266 HG21 VAL 37 3HG2 VAL 37 -10.859 -4.912 9.742 267 HG22 VAL 37 1HG2 VAL 37 -11.884 -5.590 11.007 268 HG23 VAL 37 2HG2 VAL 37 -12.588 -5.123 9.459 269 H HIS 38 H HIS 38 -9.483 -5.064 7.716 270 HA HIS 38 HA HIS 38 -7.214 -6.882 7.526 271 HB2 HIS 38 2HB HIS 38 -8.162 -6.230 5.179 272 HB3 HIS 38 1HB HIS 38 -7.389 -4.681 5.495 273 HD1 HIS 38 1HD HIS 38 -6.652 -8.234 4.667 274 HD2 HIS 38 2HD HIS 38 -4.568 -4.737 5.504 275 HE1 HIS 38 1HE HIS 38 -4.270 -8.695 4.005 276 HE2 HIS 38 2HE HIS 38 -3.046 -6.536 4.438 277 H THR 39 H THR 39 -5.249 -5.959 8.169 278 HA THR 39 HA THR 39 -5.352 -3.161 9.055 279 HB THR 39 HB THR 39 -4.111 -5.293 10.774 280 HG1 THR 39 1HG THR 39 -6.028 -5.373 11.928 281 HG21 THR 39 3HG2 THR 39 -5.359 -2.804 11.803 282 HG22 THR 39 1HG2 THR 39 -3.773 -2.708 11.039 283 HG23 THR 39 2HG2 THR 39 -4.013 -3.747 12.444 284 H VAL 40 H VAL 40 -3.855 -2.232 7.802 285 HA VAL 40 HA VAL 40 -1.324 -3.624 7.300 286 HB VAL 40 HB VAL 40 -2.727 -1.355 5.962 287 HG11 VAL 40 1HG1 VAL 40 -0.578 -0.368 6.281 288 HG12 VAL 40 2HG1 VAL 40 -0.648 -0.944 4.615 289 HG13 VAL 40 3HG1 VAL 40 0.238 -1.866 5.832 290 HG21 VAL 40 3HG2 VAL 40 -3.183 -3.334 4.893 291 HG22 VAL 40 1HG2 VAL 40 -1.581 -3.996 5.237 292 HG23 VAL 40 2HG2 VAL 40 -1.781 -2.765 3.985 293 H VAL 41 H VAL 41 0.565 -2.943 8.096 294 HA VAL 41 HA VAL 41 0.418 -0.659 9.923 295 HB VAL 41 HB VAL 41 2.395 -2.936 9.830 296 HG11 VAL 41 1HG1 VAL 41 3.431 -1.946 11.817 297 HG12 VAL 41 2HG1 VAL 41 2.369 -0.545 11.679 298 HG13 VAL 41 3HG1 VAL 41 3.569 -0.870 10.427 299 HG21 VAL 41 3HG2 VAL 41 0.063 -2.181 11.516 300 HG22 VAL 41 1HG2 VAL 41 1.414 -3.029 12.276 301 HG23 VAL 41 2HG2 VAL 41 0.560 -3.768 10.920 302 H LEU 42 H LEU 42 0.905 1.162 8.955 303 HA LEU 42 HA LEU 42 2.423 1.521 6.669 304 HB2 LEU 42 2HB LEU 42 1.752 3.372 8.941 305 HB3 LEU 42 1HB LEU 42 2.683 3.912 7.559 306 HG LEU 42 HG LEU 42 0.399 4.549 7.223 307 HD11 LEU 42 1HD1 LEU 42 1.850 2.965 5.443 308 HD12 LEU 42 2HD1 LEU 42 0.524 4.062 5.064 309 HD13 LEU 42 3HD1 LEU 42 0.195 2.357 5.367 310 HD21 LEU 42 3HD2 LEU 42 -1.457 3.176 7.452 311 HD22 LEU 42 1HD2 LEU 42 -0.422 2.644 8.778 312 HD23 LEU 42 2HD2 LEU 42 -0.508 1.697 7.293 313 H SER 43 H SER 43 3.463 1.032 9.934 314 HA SER 43 HA SER 43 6.036 2.171 9.756 315 HB2 SER 43 2HB SER 43 6.460 1.210 11.830 316 HB3 SER 43 1HB SER 43 4.699 1.308 11.835 317 HG SER 43 HG SER 43 6.350 -0.898 11.769 318 H THR 44 H THR 44 4.722 -0.848 8.695 319 HA THR 44 HA THR 44 7.363 -1.938 8.108 320 HB THR 44 HB THR 44 6.370 -4.012 7.869 321 HG1 THR 44 1HG THR 44 3.904 -2.757 7.254 322 HG21 THR 44 3HG2 THR 44 4.589 -4.333 9.494 323 HG22 THR 44 1HG2 THR 44 4.346 -2.589 9.575 324 HG23 THR 44 2HG2 THR 44 5.863 -3.294 10.135 325 H ILE 45 H ILE 45 4.587 -0.570 6.563 326 HA ILE 45 HA ILE 45 4.865 -1.298 3.941 327 HB ILE 45 HB ILE 45 4.128 1.433 4.995 328 HG12 ILE 45 2HG1 ILE 45 2.660 -0.275 5.853 329 HG13 ILE 45 1HG1 ILE 45 1.803 0.604 4.592 330 HG21 ILE 45 1HG2 ILE 45 3.615 0.246 2.270 331 HG22 ILE 45 2HG2 ILE 45 4.763 1.535 2.631 332 HG23 ILE 45 3HG2 ILE 45 3.035 1.806 2.851 333 HD11 ILE 45 3HD1 ILE 45 1.272 -1.578 4.112 334 HD12 ILE 45 1HD1 ILE 45 2.864 -2.180 4.573 335 HD13 ILE 45 2HD1 ILE 45 2.657 -1.307 3.055 336 H ASP 46 H ASP 46 6.847 -1.511 3.056 337 HA ASP 46 HA ASP 46 8.923 0.424 3.381 338 HB2 ASP 46 2HB ASP 46 9.185 -2.087 2.932 339 HB3 ASP 46 1HB ASP 46 8.840 -1.704 1.250 340 H LYS 47 H LYS 47 6.376 -0.113 1.058 341 HA LYS 47 HA LYS 47 7.055 2.403 -0.235 342 HB2 LYS 47 2HB LYS 47 6.694 -0.127 -1.850 343 HB3 LYS 47 1HB LYS 47 6.961 1.487 -2.489 344 HG2 LYS 47 2HG LYS 47 9.062 0.627 -2.648 345 HG3 LYS 47 1HG LYS 47 9.146 1.352 -1.042 346 HD2 LYS 47 2HD LYS 47 9.847 -0.664 -0.363 347 HD3 LYS 47 1HD LYS 47 8.157 -1.151 -0.516 348 HE2 LYS 47 2HE LYS 47 8.565 -1.919 -2.786 349 HE3 LYS 47 1HE LYS 47 10.239 -1.373 -2.688 350 HZ1 LYS 47 3HZ LYS 47 10.820 -3.098 -1.339 351 HZ2 LYS 47 1HZ LYS 47 9.595 -3.853 -2.228 352 HZ3 LYS 47 2HZ LYS 47 9.275 -3.270 -0.673 353 H LEU 48 H LEU 48 5.321 3.424 -1.205 354 HA LEU 48 HA LEU 48 2.695 2.198 -0.675 355 HB2 LEU 48 2HB LEU 48 3.711 4.657 0.117 356 HB3 LEU 48 1HB LEU 48 2.694 5.057 -1.253 357 HG LEU 48 HG LEU 48 1.110 3.343 0.245 358 HD11 LEU 48 1HD1 LEU 48 2.852 3.622 2.056 359 HD12 LEU 48 2HD1 LEU 48 1.193 4.026 2.501 360 HD13 LEU 48 3HD1 LEU 48 2.350 5.311 2.149 361 HD21 LEU 48 3HD2 LEU 48 0.787 5.684 -0.943 362 HD22 LEU 48 1HD2 LEU 48 0.927 6.270 0.715 363 HD23 LEU 48 2HD2 LEU 48 -0.331 5.109 0.293 364 H GLN 49 H GLN 49 1.019 2.486 -2.260 365 HA GLN 49 HA GLN 49 1.927 3.327 -4.917 366 HB2 GLN 49 2HB GLN 49 1.818 0.679 -4.269 367 HB3 GLN 49 1HB GLN 49 0.209 0.939 -4.930 368 HG2 GLN 49 2HG GLN 49 1.220 0.474 -6.875 369 HG3 GLN 49 1HG GLN 49 1.689 2.173 -6.804 370 HE21 GLN 49 1HE2 GLN 49 2.831 -0.724 -7.547 371 HE22 GLN 49 2HE2 GLN 49 4.499 -0.546 -7.096 372 H ALA 50 H ALA 50 0.398 4.264 -6.183 373 HA ALA 50 HA ALA 50 -2.407 4.058 -5.625 374 HB1 ALA 50 1HB ALA 50 -1.009 6.660 -5.028 375 HB2 ALA 50 2HB ALA 50 -1.835 5.617 -3.871 376 HB3 ALA 50 3HB ALA 50 -2.757 6.445 -5.126 377 H THR 51 H THR 51 -3.526 4.382 -7.440 378 HA THR 51 HA THR 51 -2.218 4.872 -9.894 379 HB THR 51 HB THR 51 -4.521 5.006 -10.846 380 HG1 THR 51 1HG THR 51 -5.292 4.773 -8.129 381 HG21 THR 51 3HG2 THR 51 -5.333 2.755 -9.935 382 HG22 THR 51 1HG2 THR 51 -3.831 2.750 -9.013 383 HG23 THR 51 2HG2 THR 51 -3.783 2.813 -10.774 384 HA PRO 52 HA PRO 52 -2.311 9.254 -10.122 385 HB2 PRO 52 2HB PRO 52 -1.826 9.314 -12.878 386 HB3 PRO 52 1HB PRO 52 -0.611 9.237 -11.602 387 HG2 PRO 52 2HG PRO 52 -1.231 7.237 -13.495 388 HG3 PRO 52 1HG PRO 52 -0.152 7.084 -12.100 389 HD2 PRO 52 2HD PRO 52 -2.940 6.185 -12.436 390 HD3 PRO 52 1HD PRO 52 -1.648 5.540 -11.404 391 H ALA 53 H ALA 53 -3.346 11.048 -11.240 392 HA ALA 53 HA ALA 53 -6.116 10.633 -11.601 393 HB1 ALA 53 1HB ALA 53 -4.764 13.077 -12.649 394 HB2 ALA 53 2HB ALA 53 -4.775 12.770 -10.912 395 HB3 ALA 53 3HB ALA 53 -6.297 12.918 -11.792 396 H SER 54 H SER 54 -3.579 9.933 -13.690 397 HA SER 54 HA SER 54 -5.028 10.611 -16.120 398 HB2 SER 54 2HB SER 54 -2.300 9.457 -15.574 399 HB3 SER 54 1HB SER 54 -2.982 9.488 -17.199 400 HG SER 54 HG SER 54 -1.634 11.342 -16.527 401 H SER 55 H SER 55 -4.574 7.933 -14.022 402 HA SER 55 HA SER 55 -5.491 6.023 -16.036 403 HB2 SER 55 2HB SER 55 -3.571 5.477 -14.487 404 HB3 SER 55 1HB SER 55 -4.736 5.453 -13.164 405 HG SER 55 HG SER 55 -4.365 3.651 -15.249 406 H GLU 56 H GLU 56 -7.593 5.694 -16.271 407 HA GLU 56 HA GLU 56 -9.573 6.741 -14.605 408 HB2 GLU 56 2HB GLU 56 -9.461 5.031 -16.964 409 HB3 GLU 56 1HB GLU 56 -10.805 4.626 -15.904 410 HG2 GLU 56 2HG GLU 56 -10.354 7.483 -16.581 411 HG3 GLU 56 1HG GLU 56 -11.036 6.421 -17.811 412 H LYS 57 H LYS 57 -7.727 3.861 -14.321 413 HA LYS 57 HA LYS 57 -9.598 2.509 -12.593 414 HB2 LYS 57 2HB LYS 57 -6.809 1.938 -13.553 415 HB3 LYS 57 1HB LYS 57 -7.539 0.979 -12.275 416 HG2 LYS 57 2HG LYS 57 -7.670 0.166 -14.721 417 HG3 LYS 57 1HG LYS 57 -9.089 0.028 -13.687 418 HD2 LYS 57 2HD LYS 57 -9.828 0.855 -15.791 419 HD3 LYS 57 1HD LYS 57 -9.879 2.210 -14.664 420 HE2 LYS 57 2HE LYS 57 -8.752 3.309 -16.261 421 HE3 LYS 57 1HE LYS 57 -7.354 2.421 -15.656 422 HZ1 LYS 57 3HZ LYS 57 -8.864 2.054 -18.119 423 HZ2 LYS 57 1HZ LYS 57 -8.316 0.645 -17.358 424 HZ3 LYS 57 2HZ LYS 57 -7.212 1.841 -17.819 425 H MET 58 H MET 58 -9.836 3.001 -10.519 426 HA MET 58 HA MET 58 -7.684 4.421 -9.129 427 HB2 MET 58 2HB MET 58 -10.456 3.941 -8.056 428 HB3 MET 58 1HB MET 58 -9.308 5.189 -7.593 429 HG2 MET 58 2HG MET 58 -9.937 5.403 -10.386 430 HG3 MET 58 1HG MET 58 -11.412 5.387 -9.421 431 HE1 MET 58 3HE MET 58 -8.512 8.780 -9.987 432 HE2 MET 58 1HE MET 58 -9.288 7.729 -11.172 433 HE3 MET 58 2HE MET 58 -8.015 7.093 -10.130 434 H MET 59 H MET 59 -6.270 3.051 -8.221 435 HA MET 59 HA MET 59 -7.240 1.191 -6.222 436 HB2 MET 59 2HB MET 59 -5.338 0.090 -8.265 437 HB3 MET 59 1HB MET 59 -6.338 -0.777 -7.108 438 HG2 MET 59 2HG MET 59 -8.325 -0.256 -8.374 439 HG3 MET 59 1HG MET 59 -7.384 0.729 -9.494 440 HE1 MET 59 3HE MET 59 -5.148 -0.213 -10.223 441 HE2 MET 59 1HE MET 59 -5.630 -1.052 -11.698 442 HE3 MET 59 2HE MET 59 -4.760 -1.921 -10.434 443 H LEU 60 H LEU 60 -5.823 0.881 -4.579 444 HA LEU 60 HA LEU 60 -3.172 2.148 -4.867 445 HB2 LEU 60 2HB LEU 60 -5.179 2.221 -2.667 446 HB3 LEU 60 1HB LEU 60 -3.481 2.267 -2.237 447 HG LEU 60 HG LEU 60 -3.285 4.240 -3.850 448 HD11 LEU 60 1HD1 LEU 60 -5.486 3.788 -4.944 449 HD12 LEU 60 2HD1 LEU 60 -5.263 5.449 -4.396 450 HD13 LEU 60 3HD1 LEU 60 -6.268 4.341 -3.464 451 HD21 LEU 60 3HD2 LEU 60 -5.086 5.102 -1.690 452 HD22 LEU 60 1HD2 LEU 60 -3.440 5.610 -2.071 453 HD23 LEU 60 2HD2 LEU 60 -3.717 4.110 -1.185 454 H ARG 61 H ARG 61 -1.525 1.275 -3.290 455 HA ARG 61 HA ARG 61 -1.970 -1.474 -2.455 456 HB2 ARG 61 2HB ARG 61 0.421 -0.914 -4.186 457 HB3 ARG 61 1HB ARG 61 -0.272 -2.465 -3.736 458 HG2 ARG 61 2HG ARG 61 -2.143 -2.125 -5.189 459 HG3 ARG 61 1HG ARG 61 -1.634 -0.469 -5.528 460 HD2 ARG 61 2HD ARG 61 -0.717 -1.421 -7.357 461 HD3 ARG 61 1HD ARG 61 0.595 -1.789 -6.239 462 HE ARG 61 HE ARG 61 -1.268 -3.874 -6.133 463 HH11 ARG 61 1HH1 ARG 61 1.031 -2.485 -8.363 464 HH12 ARG 61 2HH1 ARG 61 1.319 -3.978 -9.191 465 HH21 ARG 61 1HH2 ARG 61 -0.889 -5.838 -7.223 466 HH22 ARG 61 2HH2 ARG 61 0.229 -5.882 -8.544 467 H LEU 62 H LEU 62 -0.372 -2.279 -1.011 468 HA LEU 62 HA LEU 62 1.443 -0.240 0.090 469 HB2 LEU 62 2HB LEU 62 -0.757 -1.654 1.374 470 HB3 LEU 62 1HB LEU 62 0.752 -1.900 2.221 471 HG LEU 62 HG LEU 62 0.465 0.035 3.271 472 HD11 LEU 62 1HD1 LEU 62 0.566 2.173 2.118 473 HD12 LEU 62 2HD1 LEU 62 0.327 1.358 0.574 474 HD13 LEU 62 3HD1 LEU 62 1.788 1.056 1.514 475 HD21 LEU 62 3HD2 LEU 62 -1.838 0.816 1.531 476 HD22 LEU 62 1HD2 LEU 62 -1.573 1.150 3.243 477 HD23 LEU 62 2HD2 LEU 62 -1.975 -0.485 2.714 478 H ILE 63 H ILE 63 3.480 -0.903 -0.092 479 HA ILE 63 HA ILE 63 4.075 -3.724 -0.416 480 HB ILE 63 HB ILE 63 5.880 -1.303 -0.514 481 HG12 ILE 63 2HG1 ILE 63 4.338 -1.356 -2.375 482 HG13 ILE 63 1HG1 ILE 63 5.933 -1.829 -2.951 483 HG21 ILE 63 1HG2 ILE 63 7.345 -3.126 -1.738 484 HG22 ILE 63 2HG2 ILE 63 6.437 -4.219 -0.691 485 HG23 ILE 63 3HG2 ILE 63 7.405 -2.924 0.013 486 HD11 ILE 63 3HD1 ILE 63 3.451 -3.272 -3.028 487 HD12 ILE 63 1HD1 ILE 63 4.705 -4.209 -2.213 488 HD13 ILE 63 2HD1 ILE 63 4.975 -3.607 -3.851 489 H GLY 64 H GLY 64 4.462 -4.981 1.263 490 HA2 GLY 64 2HA GLY 64 5.107 -3.854 3.852 491 HA3 GLY 64 1HA GLY 64 4.823 -5.550 3.493 492 H LYS 65 H LYS 65 6.923 -4.431 5.136 493 HA LYS 65 HA LYS 65 9.383 -4.296 3.791 494 HB2 LYS 65 2HB LYS 65 8.528 -4.063 6.419 495 HB3 LYS 65 1HB LYS 65 9.571 -5.478 6.451 496 HG2 LYS 65 2HG LYS 65 10.755 -3.380 6.967 497 HG3 LYS 65 1HG LYS 65 11.407 -4.215 5.556 498 HD2 LYS 65 2HD LYS 65 10.888 -2.524 4.178 499 HD3 LYS 65 1HD LYS 65 9.300 -2.296 4.910 500 HE2 LYS 65 2HE LYS 65 11.810 -1.408 6.293 501 HE3 LYS 65 1HE LYS 65 11.004 -0.388 5.102 502 HZ1 LYS 65 3HZ LYS 65 10.292 0.134 7.352 503 HZ2 LYS 65 1HZ LYS 65 9.763 -1.458 7.580 504 HZ3 LYS 65 2HZ LYS 65 8.998 -0.467 6.443 505 H VAL 66 H VAL 66 10.864 -5.808 3.169 506 HA VAL 66 HA VAL 66 10.024 -8.592 3.277 507 HB VAL 66 HB VAL 66 10.234 -7.600 1.058 508 HG11 VAL 66 1HG1 VAL 66 12.966 -7.433 0.609 509 HG12 VAL 66 2HG1 VAL 66 12.710 -6.596 2.139 510 HG13 VAL 66 3HG1 VAL 66 11.818 -6.097 0.701 511 HG21 VAL 66 3HG2 VAL 66 12.303 -9.307 0.456 512 HG22 VAL 66 1HG2 VAL 66 10.602 -9.751 0.598 513 HG23 VAL 66 2HG2 VAL 66 11.684 -9.950 1.977 514 H ASP 67 H ASP 67 13.054 -8.552 2.354 515 HA ASP 67 HA ASP 67 14.442 -8.353 4.842 516 HB2 ASP 67 2HB ASP 67 13.735 -11.044 3.703 517 HB3 ASP 67 1HB ASP 67 15.187 -10.829 4.675 518 H GLU 68 H GLU 68 16.404 -7.629 4.370 519 HA GLU 68 HA GLU 68 17.500 -8.178 1.702 520 HB2 GLU 68 2HB GLU 68 17.981 -5.960 3.683 521 HB3 GLU 68 1HB GLU 68 19.053 -6.236 2.318 522 HG2 GLU 68 2HG GLU 68 16.714 -6.175 1.025 523 HG3 GLU 68 1HG GLU 68 16.318 -5.137 2.394 524 H SER 69 H SER 69 17.639 -10.092 3.871 525 HA SER 69 HA SER 69 20.532 -10.449 3.899 526 HB2 SER 69 2HB SER 69 18.837 -10.483 6.408 527 HB3 SER 69 1HB SER 69 20.513 -11.024 6.321 528 HG SER 69 HG SER 69 21.148 -8.946 5.857 529 H LYS 70 H LYS 70 18.472 -11.745 2.425 530 HA LYS 70 HA LYS 70 18.746 -14.467 3.504 531 HB2 LYS 70 2HB LYS 70 16.287 -13.118 2.433 532 HB3 LYS 70 1HB LYS 70 16.465 -14.863 2.317 533 HG2 LYS 70 2HG LYS 70 16.463 -13.221 4.841 534 HG3 LYS 70 1HG LYS 70 15.187 -14.302 4.276 535 HD2 LYS 70 2HD LYS 70 16.934 -16.150 4.353 536 HD3 LYS 70 1HD LYS 70 17.939 -15.016 5.257 537 HE2 LYS 70 2HE LYS 70 16.412 -14.925 7.044 538 HE3 LYS 70 1HE LYS 70 15.128 -15.668 6.090 539 HZ1 LYS 70 3HZ LYS 70 15.773 -17.492 7.210 540 HZ2 LYS 70 1HZ LYS 70 17.330 -16.907 7.521 541 HZ3 LYS 70 2HZ LYS 70 16.965 -17.584 6.014 542 H LYS 71 H LYS 71 17.598 -12.827 0.548 543 HA LYS 71 HA LYS 71 18.082 -13.140 -1.652 544 HB2 LYS 71 2HB LYS 71 20.627 -13.868 -0.289 545 HB3 LYS 71 1HB LYS 71 20.462 -14.297 -1.986 546 HG2 LYS 71 2HG LYS 71 21.296 -12.247 -2.330 547 HG3 LYS 71 1HG LYS 71 19.634 -11.727 -2.045 548 HD2 LYS 71 2HD LYS 71 20.130 -10.804 -0.046 549 HD3 LYS 71 1HD LYS 71 21.279 -12.077 0.371 550 HE2 LYS 71 2HE LYS 71 22.240 -9.757 0.029 551 HE3 LYS 71 1HE LYS 71 23.008 -11.065 -0.867 552 HZ1 LYS 71 3HZ LYS 71 20.841 -9.588 -2.168 553 HZ2 LYS 71 1HZ LYS 71 22.218 -10.301 -2.845 554 HZ3 LYS 71 2HZ LYS 71 22.344 -8.826 -2.026 555 H ARG 72 H ARG 72 16.894 -14.567 -2.719 556 HA ARG 72 HA ARG 72 17.597 -17.404 -2.551 557 HB2 ARG 72 2HB ARG 72 15.133 -17.959 -2.523 558 HB3 ARG 72 1HB ARG 72 15.778 -17.300 -1.026 559 HG2 ARG 72 2HG ARG 72 13.901 -16.050 -1.161 560 HG3 ARG 72 1HG ARG 72 14.960 -15.027 -2.133 561 HD2 ARG 72 2HD ARG 72 14.110 -16.492 -4.109 562 HD3 ARG 72 1HD ARG 72 12.788 -16.884 -3.012 563 HE ARG 72 HE ARG 72 13.204 -14.076 -3.175 564 HH11 ARG 72 1HH1 ARG 72 11.810 -16.780 -4.886 565 HH12 ARG 72 2HH1 ARG 72 10.646 -15.810 -5.724 566 HH21 ARG 72 1HH2 ARG 72 11.673 -12.800 -4.277 567 HH22 ARG 72 2HH2 ARG 72 10.568 -13.550 -5.379 568 H LYS 73 H LYS 73 15.975 -18.583 -4.224 569 HA LYS 73 HA LYS 73 16.303 -17.093 -6.738 570 HB2 LYS 73 2HB LYS 73 17.206 -19.607 -6.048 571 HB3 LYS 73 1HB LYS 73 15.748 -19.958 -6.964 572 HG2 LYS 73 2HG LYS 73 17.255 -19.922 -8.659 573 HG3 LYS 73 1HG LYS 73 16.806 -18.215 -8.642 574 HD2 LYS 73 2HD LYS 73 19.193 -18.351 -8.756 575 HD3 LYS 73 1HD LYS 73 18.757 -17.796 -7.138 576 HE2 LYS 73 2HE LYS 73 20.558 -19.543 -7.218 577 HE3 LYS 73 1HE LYS 73 19.173 -19.938 -6.200 578 HZ1 LYS 73 3HZ LYS 73 18.367 -21.451 -7.773 579 HZ2 LYS 73 1HZ LYS 73 20.032 -21.750 -7.717 580 HZ3 LYS 73 2HZ LYS 73 19.373 -20.869 -9.002 581 H ASP 74 H ASP 74 14.692 -17.776 -8.478 582 HA ASP 74 HA ASP 74 12.008 -17.633 -7.305 583 HB2 ASP 74 2HB ASP 74 12.915 -15.912 -9.003 584 HB3 ASP 74 1HB ASP 74 12.656 -17.171 -10.206 585 H ASN 75 H ASN 75 13.618 -20.123 -7.643 586 HA ASN 75 HA ASN 75 13.158 -22.310 -8.059 587 HB2 ASN 75 2HB ASN 75 10.542 -21.377 -9.234 588 HB3 ASN 75 1HB ASN 75 10.936 -23.000 -8.678 589 HD21 ASN 75 1HD2 ASN 75 9.057 -20.616 -7.904 590 HD22 ASN 75 2HD2 ASN 75 9.143 -20.631 -6.179 591 H GLU 76 H GLU 76 13.664 -20.019 -10.344 592 HA GLU 76 HA GLU 76 13.507 -21.881 -12.599 593 HB2 GLU 76 2HB GLU 76 14.308 -19.062 -13.033 594 HB3 GLU 76 1HB GLU 76 13.268 -20.094 -14.004 595 HG2 GLU 76 2HG GLU 76 11.459 -19.785 -12.398 596 HG3 GLU 76 1HG GLU 76 12.507 -18.765 -11.414 597 H GLY 77 H GLY 77 15.680 -20.063 -10.616 598 HA2 GLY 77 2HA GLY 77 17.929 -21.053 -10.368 599 HA3 GLY 77 1HA GLY 77 17.953 -21.211 -12.117 600 H ASN 78 H ASN 78 16.628 -18.364 -10.623 601 HA ASN 78 HA ASN 78 19.060 -16.870 -11.349 602 HB2 ASN 78 2HB ASN 78 16.782 -16.693 -12.783 603 HB3 ASN 78 1HB ASN 78 16.457 -15.466 -11.561 604 HD21 ASN 78 1HD2 ASN 78 17.114 -15.421 -14.511 605 HD22 ASN 78 2HD2 ASN 78 18.399 -14.259 -14.637 606 H GLU 79 H GLU 79 19.922 -15.895 -9.650 607 HA GLU 79 HA GLU 79 18.751 -15.787 -7.115 608 HB2 GLU 79 2HB GLU 79 21.056 -14.258 -8.318 609 HB3 GLU 79 1HB GLU 79 20.596 -14.108 -6.628 610 HG2 GLU 79 2HG GLU 79 22.174 -15.707 -6.410 611 HG3 GLU 79 1HG GLU 79 20.788 -16.749 -6.734 612 H VAL 80 H VAL 80 17.263 -14.496 -6.266 613 HA VAL 80 HA VAL 80 17.000 -11.749 -7.225 614 HB VAL 80 HB VAL 80 14.577 -11.910 -7.456 615 HG11 VAL 80 1HG1 VAL 80 14.500 -13.339 -9.496 616 HG12 VAL 80 2HG1 VAL 80 16.126 -13.899 -9.106 617 HG13 VAL 80 3HG1 VAL 80 15.843 -12.197 -9.467 618 HG21 VAL 80 3HG2 VAL 80 13.594 -14.262 -7.588 619 HG22 VAL 80 1HG2 VAL 80 13.935 -13.619 -5.982 620 HG23 VAL 80 2HG2 VAL 80 15.035 -14.785 -6.716 621 H VAL 81 H VAL 81 14.893 -10.857 -5.857 622 HA VAL 81 HA VAL 81 15.612 -11.397 -3.054 623 HB VAL 81 HB VAL 81 14.306 -8.905 -4.149 624 HG11 VAL 81 1HG1 VAL 81 13.938 -9.471 -1.739 625 HG12 VAL 81 2HG1 VAL 81 14.752 -7.932 -2.019 626 HG13 VAL 81 3HG1 VAL 81 15.682 -9.340 -1.505 627 HG21 VAL 81 3HG2 VAL 81 16.421 -7.826 -4.105 628 HG22 VAL 81 1HG2 VAL 81 16.633 -9.325 -5.009 629 HG23 VAL 81 2HG2 VAL 81 17.188 -9.217 -3.339 630 HA PRO 82 HA PRO 82 11.639 -13.200 -2.304 631 HB2 PRO 82 2HB PRO 82 11.307 -12.146 0.268 632 HB3 PRO 82 1HB PRO 82 12.062 -13.688 -0.141 633 HG2 PRO 82 2HG PRO 82 13.320 -11.058 0.450 634 HG3 PRO 82 1HG PRO 82 13.881 -12.690 0.847 635 HD2 PRO 82 2HD PRO 82 14.994 -11.287 -1.138 636 HD3 PRO 82 1HD PRO 82 14.752 -13.042 -1.277 637 H LYS 83 H LYS 83 9.694 -12.527 -2.942 638 HA LYS 83 HA LYS 83 9.103 -9.822 -3.431 639 HB2 LYS 83 2HB LYS 83 6.735 -10.705 -3.759 640 HB3 LYS 83 1HB LYS 83 7.988 -11.404 -4.775 641 HG2 LYS 83 2HG LYS 83 7.609 -12.867 -2.293 642 HG3 LYS 83 1HG LYS 83 6.148 -12.791 -3.278 643 HD2 LYS 83 2HD LYS 83 7.238 -13.789 -5.132 644 HD3 LYS 83 1HD LYS 83 8.828 -13.587 -4.393 645 HE2 LYS 83 2HE LYS 83 8.550 -15.745 -3.811 646 HE3 LYS 83 1HE LYS 83 7.591 -15.061 -2.499 647 HZ1 LYS 83 3HZ LYS 83 6.610 -16.934 -3.962 648 HZ2 LYS 83 1HZ LYS 83 6.304 -15.691 -5.068 649 HZ3 LYS 83 2HZ LYS 83 5.628 -15.631 -3.520 650 HA PRO 84 HA PRO 84 7.802 -8.682 0.688 651 HB2 PRO 84 2HB PRO 84 7.054 -6.161 0.170 652 HB3 PRO 84 1HB PRO 84 8.756 -6.643 0.187 653 HG2 PRO 84 2HG PRO 84 6.915 -6.285 -2.142 654 HG3 PRO 84 1HG PRO 84 8.584 -5.723 -1.945 655 HD2 PRO 84 2HD PRO 84 7.938 -7.962 -3.340 656 HD3 PRO 84 1HD PRO 84 9.471 -7.785 -2.460 657 H GLN 85 H GLN 85 5.900 -8.797 1.783 658 HA GLN 85 HA GLN 85 3.541 -9.591 0.516 659 HB2 GLN 85 2HB GLN 85 2.449 -9.095 2.724 660 HB3 GLN 85 1HB GLN 85 3.860 -10.140 2.820 661 HG2 GLN 85 2HG GLN 85 4.976 -7.683 3.162 662 HG3 GLN 85 1HG GLN 85 3.405 -7.478 3.938 663 HE21 GLN 85 1HE2 GLN 85 5.792 -10.101 3.710 664 HE22 GLN 85 2HE2 GLN 85 5.880 -10.396 5.419 665 H ARG 86 H ARG 86 2.283 -8.432 -0.778 666 HA ARG 86 HA ARG 86 1.948 -5.564 -0.195 667 HB2 ARG 86 2HB ARG 86 3.162 -5.973 -2.289 668 HB3 ARG 86 1HB ARG 86 1.825 -6.952 -2.876 669 HG2 ARG 86 2HG ARG 86 0.362 -4.970 -2.763 670 HG3 ARG 86 1HG ARG 86 1.755 -4.004 -2.270 671 HD2 ARG 86 2HD ARG 86 1.433 -3.707 -4.622 672 HD3 ARG 86 1HD ARG 86 2.887 -4.675 -4.384 673 HE ARG 86 HE ARG 86 0.381 -5.536 -5.565 674 HH11 ARG 86 1HH1 ARG 86 3.489 -6.478 -4.274 675 HH12 ARG 86 2HH1 ARG 86 3.490 -8.014 -5.071 676 HH21 ARG 86 1HH2 ARG 86 0.387 -7.557 -6.610 677 HH22 ARG 86 2HH2 ARG 86 1.732 -8.626 -6.396 678 H HIS 87 H HIS 87 -0.081 -4.640 -0.405 679 HA HIS 87 HA HIS 87 -2.325 -6.547 -0.546 680 HB2 HIS 87 2HB HIS 87 -2.467 -3.924 0.922 681 HB3 HIS 87 1HB HIS 87 -3.476 -5.352 1.120 682 HD1 HIS 87 1HD HIS 87 -2.106 -7.497 2.176 683 HD2 HIS 87 2HD HIS 87 -0.510 -3.706 2.778 684 HE1 HIS 87 1HE HIS 87 -0.507 -7.738 4.102 685 HE2 HIS 87 2HE HIS 87 0.380 -5.415 4.504 686 H MET 88 H MET 88 -3.470 -6.297 -2.347 687 HA MET 88 HA MET 88 -3.332 -3.809 -3.830 688 HB2 MET 88 2HB MET 88 -3.156 -6.045 -4.934 689 HB3 MET 88 1HB MET 88 -4.840 -6.333 -4.519 690 HG2 MET 88 2HG MET 88 -5.568 -5.146 -6.245 691 HG3 MET 88 1HG MET 88 -4.488 -3.803 -5.876 692 HE1 MET 88 3HE MET 88 -2.898 -3.016 -7.264 693 HE2 MET 88 1HE MET 88 -3.955 -3.294 -8.648 694 HE3 MET 88 2HE MET 88 -2.254 -3.750 -8.732 695 H PHE 89 H PHE 89 -4.636 -2.210 -3.255 696 HA PHE 89 HA PHE 89 -7.358 -2.838 -2.343 697 HB2 PHE 89 2HB PHE 89 -5.615 -0.399 -1.972 698 HB3 PHE 89 1HB PHE 89 -7.330 -0.413 -1.574 699 HD1 PHE 89 1HD PHE 89 -8.164 -1.847 0.246 700 HD2 PHE 89 2HD PHE 89 -4.007 -1.447 -0.573 701 HE1 PHE 89 1HE PHE 89 -7.642 -2.764 2.469 702 HE2 PHE 89 2HE PHE 89 -3.478 -2.365 1.648 703 HZ PHE 89 HZ PHE 89 -5.296 -3.026 3.172 704 H SER 90 H SER 90 -9.147 -1.906 -3.329 705 HA SER 90 HA SER 90 -8.597 -0.575 -5.900 706 HB2 SER 90 2HB SER 90 -11.175 -1.568 -6.097 707 HB3 SER 90 1HB SER 90 -9.729 -2.310 -6.781 708 HG SER 90 HG SER 90 -11.060 -3.684 -5.391 709 H PHE 91 H PHE 91 -8.995 1.522 -5.750 710 HA PHE 91 HA PHE 91 -10.996 2.530 -3.902 711 HB2 PHE 91 2HB PHE 91 -8.901 3.822 -5.635 712 HB3 PHE 91 1HB PHE 91 -10.156 4.779 -4.855 713 HD1 PHE 91 1HD PHE 91 -8.287 1.825 -3.577 714 HD2 PHE 91 2HD PHE 91 -9.060 5.994 -3.218 715 HE1 PHE 91 1HE PHE 91 -6.958 1.886 -1.513 716 HE2 PHE 91 2HE PHE 91 -7.732 6.064 -1.150 717 HZ PHE 91 HZ PHE 91 -6.680 4.010 -0.291 718 H ASN 92 H ASN 92 -12.553 4.214 -4.669 719 HA ASN 92 HA ASN 92 -13.378 3.850 -7.456 720 HB2 ASN 92 2HB ASN 92 -14.608 2.388 -5.560 721 HB3 ASN 92 1HB ASN 92 -15.573 3.858 -5.464 722 HD21 ASN 92 1HD2 ASN 92 -14.814 1.059 -7.286 723 HD22 ASN 92 2HD2 ASN 92 -15.960 1.301 -8.556 724 H ASN 93 H ASN 93 -12.137 6.073 -6.029 725 HA ASN 93 HA ASN 93 -13.886 8.142 -6.947 726 HB2 ASN 93 2HB ASN 93 -14.255 7.357 -4.291 727 HB3 ASN 93 1HB ASN 93 -13.270 8.813 -4.188 728 HD21 ASN 93 1HD2 ASN 93 -15.747 8.859 -3.152 729 HD22 ASN 93 2HD2 ASN 93 -16.802 9.829 -4.133 730 H ARG 94 H ARG 94 -12.886 10.244 -6.917 731 HA ARG 94 HA ARG 94 -10.026 10.066 -7.228 732 HB2 ARG 94 2HB ARG 94 -10.178 12.380 -8.015 733 HB3 ARG 94 1HB ARG 94 -11.362 11.359 -8.820 734 HG2 ARG 94 2HG ARG 94 -12.900 12.233 -6.845 735 HG3 ARG 94 1HG ARG 94 -11.760 13.579 -6.902 736 HD2 ARG 94 2HD ARG 94 -13.690 14.005 -8.328 737 HD3 ARG 94 1HD ARG 94 -12.214 13.869 -9.284 738 HE ARG 94 HE ARG 94 -13.312 11.350 -9.265 739 HH11 ARG 94 1HH1 ARG 94 -14.337 14.526 -10.283 740 HH12 ARG 94 2HH1 ARG 94 -15.361 13.928 -11.544 741 HH21 ARG 94 1HH2 ARG 94 -14.659 10.561 -10.923 742 HH22 ARG 94 2HH2 ARG 94 -15.545 11.677 -11.907 743 H THR 95 H THR 95 -12.293 11.671 -5.033 744 HA THR 95 HA THR 95 -10.360 13.107 -3.581 745 HB THR 95 HB THR 95 -12.816 12.340 -2.221 746 HG1 THR 95 1HG THR 95 -14.162 13.426 -3.649 747 HG21 THR 95 3HG2 THR 95 -13.089 14.686 -1.895 748 HG22 THR 95 1HG2 THR 95 -11.839 15.028 -3.087 749 HG23 THR 95 2HG2 THR 95 -11.411 14.259 -1.560 750 H VAL 96 H VAL 96 -11.954 9.983 -3.093 751 HA VAL 96 HA VAL 96 -10.905 9.442 -0.545 752 HB VAL 96 HB VAL 96 -12.779 8.176 -1.522 753 HG11 VAL 96 1HG1 VAL 96 -11.482 8.028 -3.797 754 HG12 VAL 96 2HG1 VAL 96 -12.623 6.770 -3.323 755 HG13 VAL 96 3HG1 VAL 96 -10.892 6.514 -3.115 756 HG21 VAL 96 3HG2 VAL 96 -11.008 7.283 0.236 757 HG22 VAL 96 1HG2 VAL 96 -10.722 6.092 -1.033 758 HG23 VAL 96 2HG2 VAL 96 -12.335 6.275 -0.344 759 H MET 97 H MET 97 -9.648 8.776 -3.782 760 HA MET 97 HA MET 97 -7.407 7.271 -2.884 761 HB2 MET 97 2HB MET 97 -6.563 7.535 -5.164 762 HB3 MET 97 1HB MET 97 -8.254 7.061 -5.169 763 HG2 MET 97 2HG MET 97 -8.958 9.227 -5.774 764 HG3 MET 97 1HG MET 97 -7.371 9.914 -5.442 765 HE1 MET 97 3HE MET 97 -5.192 8.814 -6.709 766 HE2 MET 97 1HE MET 97 -5.675 10.390 -7.334 767 HE3 MET 97 2HE MET 97 -5.245 9.093 -8.449 768 H ASP 98 H ASP 98 -8.023 10.623 -3.537 769 HA ASP 98 HA ASP 98 -5.325 11.509 -3.373 770 HB2 ASP 98 2HB ASP 98 -8.002 12.791 -3.470 771 HB3 ASP 98 1HB ASP 98 -6.694 13.746 -2.780 772 H ASN 99 H ASN 99 -7.843 10.893 -1.038 773 HA ASN 99 HA ASN 99 -6.549 12.304 1.106 774 HB2 ASN 99 2HB ASN 99 -8.863 10.369 1.016 775 HB3 ASN 99 1HB ASN 99 -8.263 11.065 2.517 776 HD21 ASN 99 1HD2 ASN 99 -10.842 11.321 1.058 777 HD22 ASN 99 2HD2 ASN 99 -11.085 13.031 0.882 778 H ILE 100 H ILE 100 -7.107 8.860 0.386 779 HA ILE 100 HA ILE 100 -5.572 7.841 2.503 780 HB ILE 100 HB ILE 100 -6.077 6.541 -0.177 781 HG12 ILE 100 2HG1 ILE 100 -8.132 7.327 1.057 782 HG13 ILE 100 1HG1 ILE 100 -8.065 5.594 0.762 783 HG21 ILE 100 1HG2 ILE 100 -4.540 5.132 0.730 784 HG22 ILE 100 2HG2 ILE 100 -5.988 4.491 1.508 785 HG23 ILE 100 3HG2 ILE 100 -4.929 5.594 2.387 786 HD11 ILE 100 3HD1 ILE 100 -7.204 5.322 3.091 787 HD12 ILE 100 1HD1 ILE 100 -8.858 5.923 2.970 788 HD13 ILE 100 2HD1 ILE 100 -7.541 7.035 3.344 789 H LYS 101 H LYS 101 -4.711 8.371 -0.910 790 HA LYS 101 HA LYS 101 -2.080 7.449 -0.769 791 HB2 LYS 101 2HB LYS 101 -3.245 7.873 -2.881 792 HB3 LYS 101 1HB LYS 101 -3.232 9.599 -2.553 793 HG2 LYS 101 2HG LYS 101 -0.610 8.251 -2.526 794 HG3 LYS 101 1HG LYS 101 -1.419 8.369 -4.090 795 HD2 LYS 101 2HD LYS 101 -1.000 10.718 -2.248 796 HD3 LYS 101 1HD LYS 101 0.124 10.275 -3.534 797 HE2 LYS 101 2HE LYS 101 -2.205 10.299 -4.902 798 HE3 LYS 101 1HE LYS 101 -2.536 11.533 -3.687 799 HZ1 LYS 101 3HZ LYS 101 -1.475 12.282 -5.848 800 HZ2 LYS 101 1HZ LYS 101 -0.051 11.559 -5.289 801 HZ3 LYS 101 2HZ LYS 101 -0.754 12.827 -4.419 802 H MET 102 H MET 102 -3.425 10.647 -0.102 803 HA MET 102 HA MET 102 -0.817 11.793 0.355 804 HB2 MET 102 2HB MET 102 -3.612 12.870 0.664 805 HB3 MET 102 1HB MET 102 -2.183 13.798 1.096 806 HG2 MET 102 2HG MET 102 -1.383 13.447 -1.264 807 HG3 MET 102 1HG MET 102 -2.984 12.806 -1.621 808 HE1 MET 102 3HE MET 102 -5.297 14.466 -1.550 809 HE2 MET 102 1HE MET 102 -4.301 14.093 -2.958 810 HE3 MET 102 2HE MET 102 -4.845 15.747 -2.676 811 H THR 103 H THR 103 -3.299 10.302 2.235 812 HA THR 103 HA THR 103 -2.301 11.339 4.747 813 HB THR 103 HB THR 103 -4.414 9.259 4.154 814 HG1 THR 103 1HG THR 103 -5.813 10.869 4.308 815 HG21 THR 103 3HG2 THR 103 -4.478 8.752 6.299 816 HG22 THR 103 1HG2 THR 103 -4.824 10.440 6.673 817 HG23 THR 103 2HG2 THR 103 -3.155 9.871 6.631 818 H LEU 104 H LEU 104 -2.077 8.373 2.873 819 HA LEU 104 HA LEU 104 -0.955 6.757 4.883 820 HB2 LEU 104 2HB LEU 104 -1.296 6.635 1.982 821 HB3 LEU 104 1HB LEU 104 0.174 5.851 2.527 822 HG LEU 104 HG LEU 104 -1.056 4.339 3.923 823 HD11 LEU 104 1HD1 LEU 104 -2.822 5.359 4.914 824 HD12 LEU 104 2HD1 LEU 104 -3.688 4.557 3.604 825 HD13 LEU 104 3HD1 LEU 104 -3.258 6.262 3.464 826 HD21 LEU 104 3HD2 LEU 104 -2.362 4.614 1.220 827 HD22 LEU 104 1HD2 LEU 104 -2.454 3.189 2.255 828 HD23 LEU 104 2HD2 LEU 104 -0.901 3.701 1.595 829 H GLN 105 H GLN 105 0.661 8.448 2.192 830 HA GLN 105 HA GLN 105 3.285 8.028 2.972 831 HB2 GLN 105 2HB GLN 105 3.800 10.140 1.728 832 HB3 GLN 105 1HB GLN 105 2.821 8.992 0.825 833 HG2 GLN 105 2HG GLN 105 0.806 10.312 1.550 834 HG3 GLN 105 1HG GLN 105 1.926 11.531 2.156 835 HE21 GLN 105 1HE2 GLN 105 1.487 9.574 -0.777 836 HE22 GLN 105 2HE2 GLN 105 1.737 10.882 -1.890 837 H GLN 106 H GLN 106 0.898 10.165 4.294 838 HA GLN 106 HA GLN 106 2.586 11.944 5.670 839 HB2 GLN 106 2HB GLN 106 -0.230 11.370 5.555 840 HB3 GLN 106 1HB GLN 106 0.263 11.573 7.231 841 HG2 GLN 106 2HG GLN 106 0.893 13.767 6.920 842 HG3 GLN 106 1HG GLN 106 1.111 13.567 5.182 843 HE21 GLN 106 1HE2 GLN 106 -0.580 13.882 3.829 844 HE22 GLN 106 2HE2 GLN 106 -2.147 14.421 4.348 845 H ILE 107 H ILE 107 1.369 8.770 6.399 846 HA ILE 107 HA ILE 107 2.426 8.739 9.090 847 HB ILE 107 HB ILE 107 1.238 6.553 7.372 848 HG12 ILE 107 2HG1 ILE 107 -0.326 6.952 9.641 849 HG13 ILE 107 1HG1 ILE 107 0.141 8.579 9.153 850 HG21 ILE 107 1HG2 ILE 107 2.811 5.546 8.886 851 HG22 ILE 107 2HG2 ILE 107 1.172 5.210 9.449 852 HG23 ILE 107 3HG2 ILE 107 2.143 6.451 10.245 853 HD11 ILE 107 3HD1 ILE 107 -1.721 6.715 7.923 854 HD12 ILE 107 1HD1 ILE 107 -0.591 7.438 6.779 855 HD13 ILE 107 2HD1 ILE 107 -1.607 8.470 7.785 856 H ILE 108 H ILE 108 3.277 7.581 5.910 857 HA ILE 108 HA ILE 108 5.377 5.852 6.443 858 HB ILE 108 HB ILE 108 5.288 7.842 4.174 859 HG12 ILE 108 2HG1 ILE 108 3.167 6.664 4.315 860 HG13 ILE 108 1HG1 ILE 108 4.076 6.125 2.912 861 HG21 ILE 108 1HG2 ILE 108 6.549 6.194 2.941 862 HG22 ILE 108 2HG2 ILE 108 6.537 5.110 4.332 863 HG23 ILE 108 3HG2 ILE 108 7.405 6.644 4.415 864 HD11 ILE 108 3HD1 ILE 108 4.105 4.633 5.509 865 HD12 ILE 108 1HD1 ILE 108 4.588 4.071 3.909 866 HD13 ILE 108 2HD1 ILE 108 2.885 4.359 4.265 867 H SER 109 H SER 109 5.593 9.307 5.665 868 HA SER 109 HA SER 109 8.283 9.708 6.016 869 HB2 SER 109 2HB SER 109 6.702 11.415 5.164 870 HB3 SER 109 1HB SER 109 6.107 11.654 6.807 871 HG SER 109 HG SER 109 8.564 12.372 5.675 872 H ARG 110 H ARG 110 5.893 9.200 8.465 873 HA ARG 110 HA ARG 110 7.196 10.303 10.682 874 HB2 ARG 110 2HB ARG 110 5.494 7.809 10.708 875 HB3 ARG 110 1HB ARG 110 5.783 8.912 12.045 876 HG2 ARG 110 2HG ARG 110 4.617 10.687 10.758 877 HG3 ARG 110 1HG ARG 110 4.225 9.478 9.534 878 HD2 ARG 110 2HD ARG 110 2.348 9.755 11.024 879 HD3 ARG 110 1HD ARG 110 3.053 8.158 11.262 880 HE ARG 110 HE ARG 110 3.041 10.367 13.143 881 HH11 ARG 110 1HH1 ARG 110 4.329 7.223 12.324 882 HH12 ARG 110 2HH1 ARG 110 4.816 6.866 13.946 883 HH21 ARG 110 1HH2 ARG 110 3.685 9.893 15.273 884 HH22 ARG 110 2HH2 ARG 110 4.452 8.379 15.618 885 H TYR 111 H TYR 111 7.740 7.341 8.939 886 HA TYR 111 HA TYR 111 9.582 6.358 10.981 887 HB2 TYR 111 2HB TYR 111 9.079 4.964 8.374 888 HB3 TYR 111 1HB TYR 111 9.487 4.274 9.941 889 HD1 TYR 111 2HD TYR 111 7.639 4.733 11.817 890 HD2 TYR 111 1HD TYR 111 6.915 4.712 7.626 891 HE1 TYR 111 2HE TYR 111 5.259 4.278 12.237 892 HE2 TYR 111 1HE TYR 111 4.533 4.257 8.032 893 HH TYR 111 HH TYR 111 3.333 3.180 10.908 894 H LYS 112 H LYS 112 9.556 7.796 7.809 895 HA LYS 112 HA LYS 112 12.119 7.153 6.927 896 HB2 LYS 112 2HB LYS 112 10.258 8.344 5.657 897 HB3 LYS 112 1HB LYS 112 10.791 9.818 6.455 898 HG2 LYS 112 2HG LYS 112 12.648 9.996 5.187 899 HG3 LYS 112 1HG LYS 112 12.884 8.251 5.092 900 HD2 LYS 112 2HD LYS 112 10.534 9.422 3.698 901 HD3 LYS 112 1HD LYS 112 12.131 9.681 2.991 902 HE2 LYS 112 2HE LYS 112 10.867 7.646 2.178 903 HE3 LYS 112 1HE LYS 112 12.511 7.364 2.752 904 HZ1 LYS 112 3HZ LYS 112 11.602 6.620 4.867 905 HZ2 LYS 112 1HZ LYS 112 10.986 5.694 3.592 906 HZ3 LYS 112 2HZ LYS 112 10.027 6.887 4.311 907 H ASP 113 H ASP 113 11.086 10.119 8.622 908 HA ASP 113 HA ASP 113 13.646 11.193 8.965 909 HB2 ASP 113 2HB ASP 113 11.543 12.466 9.274 910 HB3 ASP 113 1HB ASP 113 11.234 11.566 10.756 911 H ALA 114 H ALA 114 11.885 8.796 10.798 912 HA ALA 114 HA ALA 114 13.645 8.849 13.064 913 HB1 ALA 114 1HB ALA 114 11.673 6.716 12.256 914 HB2 ALA 114 2HB ALA 114 11.285 8.139 13.221 915 HB3 ALA 114 3HB ALA 114 12.406 6.930 13.845 916 H ASP 115 H ASP 115 13.292 6.845 10.174 917 HA ASP 115 HA ASP 115 15.432 5.073 10.947 918 HB2 ASP 115 2HB ASP 115 13.302 4.730 9.334 919 HB3 ASP 115 1HB ASP 115 14.516 5.143 8.127 920 H TYR 90 1HT TYR 90 6.035 -2.463 -17.513 921 HA TYR 90 HA TYR 90 3.866 -2.180 -18.110 922 HB2 TYR 90 2HB TYR 90 4.050 -4.707 -16.452 923 HB3 TYR 90 1HB TYR 90 2.891 -4.418 -17.745 924 HD1 TYR 90 1HD TYR 90 6.484 -4.892 -17.002 925 HD2 TYR 90 2HD TYR 90 3.488 -4.743 -20.020 926 HE1 TYR 90 1HE TYR 90 8.089 -5.795 -18.632 927 HE2 TYR 90 2HE TYR 90 5.084 -5.646 -21.657 928 HH TYR 90 HH TYR 90 7.989 -5.556 -21.638 929 H ASP 91 H ASP 91 4.047 -2.960 -14.653 930 HA ASP 91 HA ASP 91 1.306 -2.313 -14.153 931 HB2 ASP 91 2HB ASP 91 3.683 -2.935 -12.429 932 HB3 ASP 91 1HB ASP 91 2.210 -2.300 -11.702 933 H SER 92 H SER 92 4.335 -0.577 -14.075 934 HA SER 92 HA SER 92 3.470 1.654 -12.572 935 HB2 SER 92 2HB SER 92 5.444 2.800 -13.537 936 HB3 SER 92 1HB SER 92 5.843 1.196 -12.920 937 HG SER 92 HG SER 92 6.207 0.505 -14.900 938 H GLU 93 H GLU 93 3.115 0.762 -15.919 939 HA GLU 93 HA GLU 93 2.577 3.252 -17.058 940 HB2 GLU 93 2HB GLU 93 1.502 0.516 -17.754 941 HB3 GLU 93 1HB GLU 93 1.268 1.944 -18.754 942 HG2 GLU 93 2HG GLU 93 3.608 2.131 -19.164 943 HG3 GLU 93 1HG GLU 93 3.970 0.874 -17.982 944 H GLU 94 H GLU 94 0.458 1.003 -15.350 945 HA GLU 94 HA GLU 94 -1.762 2.901 -15.609 946 HB2 GLU 94 2HB GLU 94 -3.191 1.081 -14.830 947 HB3 GLU 94 1HB GLU 94 -2.235 0.572 -16.215 948 HG2 GLU 94 2HG GLU 94 -0.629 -0.194 -14.174 949 HG3 GLU 94 1HG GLU 94 -2.223 -0.396 -13.447 950 H PHE 95 H PHE 95 0.306 1.328 -13.254 951 HA PHE 95 HA PHE 95 -1.060 2.720 -11.068 952 HB2 PHE 95 2HB PHE 95 0.223 0.186 -11.301 953 HB3 PHE 95 1HB PHE 95 1.122 1.138 -10.125 954 HD1 PHE 95 2HD PHE 95 -0.181 2.200 -8.215 955 HD2 PHE 95 1HD PHE 95 -1.775 -0.848 -10.720 956 HE1 PHE 95 2HE PHE 95 -1.876 1.687 -6.506 957 HE2 PHE 95 1HE PHE 95 -3.473 -1.366 -9.017 958 HZ PHE 95 HZ PHE 95 -3.524 -0.099 -6.906 959 H GLU 96 H GLU 96 -0.098 4.286 -9.855 960 HA GLU 96 HA GLU 96 2.364 5.419 -10.938 961 HB2 GLU 96 2HB GLU 96 0.038 6.604 -10.180 962 HB3 GLU 96 1HB GLU 96 0.999 6.807 -8.721 963 HG2 GLU 96 2HG GLU 96 2.801 7.783 -10.192 964 HG3 GLU 96 1HG GLU 96 1.604 7.805 -11.487 965 H ASP 97 H ASP 97 3.970 6.311 -9.399 966 HA ASP 97 HA ASP 97 4.508 4.342 -7.306 967 HB2 ASP 97 2HB ASP 97 6.797 5.404 -7.303 968 HB3 ASP 97 1HB ASP 97 6.334 4.639 -8.821 969 H VAL 98 H VAL 98 5.456 5.108 -5.256 970 HA VAL 98 HA VAL 98 4.523 7.778 -4.456 971 HB VAL 98 HB VAL 98 4.156 5.397 -2.650 972 HG11 VAL 98 1HG1 VAL 98 3.364 8.268 -2.629 973 HG12 VAL 98 2HG1 VAL 98 4.005 7.264 -1.328 974 HG13 VAL 98 3HG1 VAL 98 2.323 7.090 -1.830 975 HG21 VAL 98 3HG2 VAL 98 1.863 5.220 -3.311 976 HG22 VAL 98 1HG2 VAL 98 2.859 5.087 -4.760 977 HG23 VAL 98 2HG2 VAL 98 2.018 6.595 -4.404 978 H THR 99 H THR 99 5.467 8.459 -2.336 979 HA THR 99 HA THR 99 8.199 8.488 -2.341 980 HB THR 99 HB THR 99 6.791 9.983 -0.978 981 HG1 THR 99 1HG THR 99 8.978 9.821 -0.438 982 HG21 THR 99 3HG2 THR 99 6.662 8.349 1.387 983 HG22 THR 99 1HG2 THR 99 5.701 7.661 0.079 984 HG23 THR 99 2HG2 THR 99 5.407 9.316 0.613 985 H ASP 100 H ASP 100 9.577 6.846 -2.289 986 HA ASP 100 HA ASP 100 9.239 4.798 -0.213 987 HB2 ASP 100 2HB ASP 100 10.045 4.220 -3.071 988 HB3 ASP 100 1HB ASP 100 9.904 3.041 -1.772 989 H GLY 101 H GLY 101 11.452 6.159 -2.643 990 HA2 GLY 101 2HA GLY 101 13.489 6.907 -0.984 991 HA3 GLY 101 1HA GLY 101 13.793 5.202 -1.278 992 H ASN 102 H ASN 102 12.670 5.353 -4.004 993 HA ASN 102 HA ASN 102 13.407 5.659 -6.135 994 HB2 ASN 102 2HB ASN 102 13.220 8.147 -5.110 995 HB3 ASN 102 1HB ASN 102 14.940 8.113 -5.492 996 HD21 ASN 102 1HD2 ASN 102 15.371 8.952 -7.385 997 HD22 ASN 102 2HD2 ASN 102 14.382 8.858 -8.798 998 H GLU 103 H GLU 103 15.305 5.575 -7.507 999 HA GLU 103 HA GLU 103 17.931 5.552 -6.425 1000 HB2 GLU 103 2HB GLU 103 16.791 3.372 -5.580 1001 HB3 GLU 103 1HB GLU 103 16.997 2.817 -7.235 1002 HG2 GLU 103 2HG GLU 103 19.477 3.618 -6.819 1003 HG3 GLU 103 1HG GLU 103 19.027 3.337 -5.137 1004 H VAL 104 H VAL 104 15.848 4.175 -8.950 1005 HA VAL 104 HA VAL 104 16.037 4.108 -11.217 1006 HB VAL 104 HB VAL 104 18.021 6.363 -10.923 1007 HG11 VAL 104 1HG1 VAL 104 16.095 6.124 -13.173 1008 HG12 VAL 104 2HG1 VAL 104 17.492 5.048 -13.156 1009 HG13 VAL 104 3HG1 VAL 104 17.725 6.796 -13.144 1010 HG21 VAL 104 3HG2 VAL 104 15.010 6.493 -11.063 1011 HG22 VAL 104 1HG2 VAL 104 16.099 7.878 -11.138 1012 HG23 VAL 104 2HG2 VAL 104 16.009 6.905 -9.670 Start of MODEL 5 1 H2 PRO 1 1HT PRO 1 -13.290 12.955 6.153 2 H3 PRO 1 2HT PRO 1 -13.434 13.331 7.749 3 HA PRO 1 HA PRO 1 -12.435 11.638 8.427 4 HB2 PRO 1 2HB PRO 1 -12.946 9.511 6.630 5 HB3 PRO 1 1HB PRO 1 -13.631 9.744 8.245 6 HG2 PRO 1 2HG PRO 1 -14.760 10.457 5.591 7 HG3 PRO 1 1HG PRO 1 -15.594 9.954 7.072 8 HD2 PRO 1 2HD PRO 1 -15.651 12.499 6.281 9 HD3 PRO 1 1HD PRO 1 -15.494 12.093 8.001 10 H SER 2 H SER 2 -10.640 12.901 7.645 11 HA SER 2 HA SER 2 -9.557 12.434 5.034 12 HB2 SER 2 2HB SER 2 -7.590 13.725 5.936 13 HB3 SER 2 1HB SER 2 -9.134 14.570 6.050 14 HG SER 2 HG SER 2 -9.194 14.180 8.211 15 H HIS 3 H HIS 3 -9.076 11.108 8.230 16 HA HIS 3 HA HIS 3 -6.808 9.511 7.290 17 HB2 HIS 3 2HB HIS 3 -7.865 10.275 9.976 18 HB3 HIS 3 1HB HIS 3 -6.953 8.777 9.833 19 HD1 HIS 3 1HD HIS 3 -6.463 12.389 8.709 20 HD2 HIS 3 2HD HIS 3 -4.330 9.192 10.289 21 HE1 HIS 3 1HE HIS 3 -4.118 13.240 9.035 22 HE2 HIS 3 2HE HIS 3 -2.868 11.315 10.072 23 H SER 4 H SER 4 -9.335 8.919 6.197 24 HA SER 4 HA SER 4 -9.434 6.149 6.473 25 HB2 SER 4 2HB SER 4 -11.653 5.912 7.631 26 HB3 SER 4 1HB SER 4 -10.343 6.451 8.682 27 HG SER 4 HG SER 4 -12.557 7.599 8.592 28 H GLY 5 H GLY 5 -10.447 5.321 4.737 29 HA2 GLY 5 2HA GLY 5 -12.651 6.789 3.504 30 HA3 GLY 5 1HA GLY 5 -11.207 6.553 2.527 31 H ALA 6 H ALA 6 -13.851 5.525 1.976 32 HA ALA 6 HA ALA 6 -13.949 2.768 2.680 33 HB1 ALA 6 1HB ALA 6 -15.627 2.745 0.695 34 HB2 ALA 6 2HB ALA 6 -15.448 4.499 0.765 35 HB3 ALA 6 3HB ALA 6 -16.031 3.615 2.176 36 H ALA 7 H ALA 7 -12.398 1.428 2.059 37 HA ALA 7 HA ALA 7 -11.437 1.587 -0.726 38 HB1 ALA 7 1HB ALA 7 -9.933 0.214 1.473 39 HB2 ALA 7 2HB ALA 7 -9.809 1.959 1.243 40 HB3 ALA 7 3HB ALA 7 -9.329 0.860 -0.052 41 H ILE 8 H ILE 8 -11.061 -0.372 -1.868 42 HA ILE 8 HA ILE 8 -12.833 -2.537 -1.005 43 HB ILE 8 HB ILE 8 -11.817 -1.661 -3.679 44 HG12 ILE 8 2HG1 ILE 8 -14.511 -2.531 -3.698 45 HG13 ILE 8 1HG1 ILE 8 -14.283 -1.600 -2.221 46 HG21 ILE 8 1HG2 ILE 8 -12.891 -4.400 -3.036 47 HG22 ILE 8 2HG2 ILE 8 -11.329 -3.999 -3.748 48 HG23 ILE 8 3HG2 ILE 8 -12.811 -3.723 -4.663 49 HD11 ILE 8 3HD1 ILE 8 -13.495 -0.624 -4.937 50 HD12 ILE 8 1HD1 ILE 8 -13.558 0.292 -3.432 51 HD13 ILE 8 2HD1 ILE 8 -15.050 -0.288 -4.173 52 H PHE 9 H PHE 9 -12.162 -4.679 -0.898 53 HA PHE 9 HA PHE 9 -9.376 -5.324 -1.432 54 HB2 PHE 9 2HB PHE 9 -9.595 -4.461 0.968 55 HB3 PHE 9 1HB PHE 9 -10.519 -5.924 1.294 56 HD1 PHE 9 2HD PHE 9 -7.471 -5.389 -0.775 57 HD2 PHE 9 1HD PHE 9 -9.199 -7.255 2.636 58 HE1 PHE 9 2HE PHE 9 -5.375 -6.621 -0.394 59 HE2 PHE 9 1HE PHE 9 -7.106 -8.490 3.025 60 HZ PHE 9 HZ PHE 9 -5.192 -8.174 1.508 61 H GLU 10 H GLU 10 -9.254 -7.283 -2.328 62 HA GLU 10 HA GLU 10 -9.780 -9.396 -2.987 63 HB2 GLU 10 2HB GLU 10 -11.591 -9.461 -0.569 64 HB3 GLU 10 1HB GLU 10 -10.998 -10.849 -1.470 65 HG2 GLU 10 2HG GLU 10 -9.206 -8.920 -0.019 66 HG3 GLU 10 1HG GLU 10 -9.839 -10.401 0.699 67 H LYS 11 H LYS 11 -11.275 -7.093 -3.905 68 HA LYS 11 HA LYS 11 -12.897 -6.785 -5.483 69 HB2 LYS 11 2HB LYS 11 -14.077 -9.472 -4.809 70 HB3 LYS 11 1HB LYS 11 -14.248 -8.552 -6.295 71 HG2 LYS 11 2HG LYS 11 -11.484 -9.247 -5.618 72 HG3 LYS 11 1HG LYS 11 -12.536 -10.627 -5.934 73 HD2 LYS 11 2HD LYS 11 -12.776 -10.110 -8.126 74 HD3 LYS 11 1HD LYS 11 -12.744 -8.371 -7.827 75 HE2 LYS 11 2HE LYS 11 -10.280 -10.058 -7.537 76 HE3 LYS 11 1HE LYS 11 -10.779 -9.424 -9.104 77 HZ1 LYS 11 3HZ LYS 11 -10.414 -7.260 -8.442 78 HZ2 LYS 11 1HZ LYS 11 -9.150 -8.072 -7.662 79 HZ3 LYS 11 2HZ LYS 11 -10.528 -7.617 -6.793 80 H VAL 12 H VAL 12 -13.343 -7.179 -2.218 81 HA VAL 12 HA VAL 12 -16.169 -6.396 -2.356 82 HB VAL 12 HB VAL 12 -15.596 -8.363 -0.941 83 HG11 VAL 12 1HG1 VAL 12 -13.693 -8.201 0.217 84 HG12 VAL 12 2HG1 VAL 12 -14.688 -7.377 1.415 85 HG13 VAL 12 3HG1 VAL 12 -13.746 -6.440 0.258 86 HG21 VAL 12 3HG2 VAL 12 -17.368 -7.888 0.333 87 HG22 VAL 12 1HG2 VAL 12 -17.360 -6.309 -0.452 88 HG23 VAL 12 2HG2 VAL 12 -16.554 -6.526 1.103 89 H SER 13 H SER 13 -16.891 -4.521 -1.368 90 HA SER 13 HA SER 13 -14.805 -2.538 -0.927 91 HB2 SER 13 2HB SER 13 -16.714 -0.909 -0.949 92 HB3 SER 13 1HB SER 13 -16.540 -1.840 -2.437 93 HG SER 13 HG SER 13 -18.503 -2.004 -0.445 94 H GLY 14 H GLY 14 -14.305 -1.691 0.986 95 HA2 GLY 14 2HA GLY 14 -16.123 -2.176 3.251 96 HA3 GLY 14 1HA GLY 14 -14.422 -2.605 3.376 97 H ILE 15 H ILE 15 -13.758 -1.212 4.915 98 HA ILE 15 HA ILE 15 -13.803 1.633 4.198 99 HB ILE 15 HB ILE 15 -14.178 0.770 7.048 100 HG12 ILE 15 2HG1 ILE 15 -16.048 -0.071 5.557 101 HG13 ILE 15 1HG1 ILE 15 -16.538 0.983 6.878 102 HG21 ILE 15 1HG2 ILE 15 -15.221 3.143 7.052 103 HG22 ILE 15 2HG2 ILE 15 -14.351 3.339 5.530 104 HG23 ILE 15 3HG2 ILE 15 -13.462 2.969 7.016 105 HD11 ILE 15 3HD1 ILE 15 -16.082 1.997 4.093 106 HD12 ILE 15 1HD1 ILE 15 -16.942 2.779 5.421 107 HD13 ILE 15 2HD1 ILE 15 -17.635 1.356 4.638 108 H ILE 16 H ILE 16 -11.800 2.359 4.130 109 HA ILE 16 HA ILE 16 -9.736 0.941 5.638 110 HB ILE 16 HB ILE 16 -9.804 2.356 3.085 111 HG12 ILE 16 2HG1 ILE 16 -7.940 0.367 4.381 112 HG13 ILE 16 1HG1 ILE 16 -9.243 0.016 3.255 113 HG21 ILE 16 1HG2 ILE 16 -7.393 2.841 4.821 114 HG22 ILE 16 2HG2 ILE 16 -8.577 4.066 4.355 115 HG23 ILE 16 3HG2 ILE 16 -7.586 3.284 3.124 116 HD11 ILE 16 3HD1 ILE 16 -7.509 1.847 1.987 117 HD12 ILE 16 1HD1 ILE 16 -7.815 0.159 1.579 118 HD13 ILE 16 2HD1 ILE 16 -6.520 0.575 2.704 119 H ALA 17 H ALA 17 -9.014 1.755 7.465 120 HA ALA 17 HA ALA 17 -9.077 4.661 7.860 121 HB1 ALA 17 1HB ALA 17 -10.009 2.813 10.032 122 HB2 ALA 17 2HB ALA 17 -11.123 3.472 8.827 123 HB3 ALA 17 3HB ALA 17 -10.225 4.559 9.894 124 H ILE 18 H ILE 18 -7.320 5.461 8.824 125 HA ILE 18 HA ILE 18 -5.173 3.646 9.501 126 HB ILE 18 HB ILE 18 -5.184 6.663 9.605 127 HG12 ILE 18 2HG1 ILE 18 -3.809 6.171 7.387 128 HG13 ILE 18 1HG1 ILE 18 -4.814 4.725 7.365 129 HG21 ILE 18 1HG2 ILE 18 -3.388 5.248 10.822 130 HG22 ILE 18 2HG2 ILE 18 -2.877 6.587 9.795 131 HG23 ILE 18 3HG2 ILE 18 -2.780 4.930 9.197 132 HD11 ILE 18 3HD1 ILE 18 -6.730 5.899 6.976 133 HD12 ILE 18 1HD1 ILE 18 -5.556 6.918 6.144 134 HD13 ILE 18 2HD1 ILE 18 -6.125 7.361 7.754 135 H ASN 19 H ASN 19 -4.665 2.988 11.471 136 HA ASN 19 HA ASN 19 -6.042 4.118 13.771 137 HB2 ASN 19 2HB ASN 19 -5.499 1.559 13.147 138 HB3 ASN 19 1HB ASN 19 -4.074 1.924 14.116 139 HD21 ASN 19 1HD2 ASN 19 -4.476 2.859 16.264 140 HD22 ASN 19 2HD2 ASN 19 -5.862 2.320 17.143 141 H GLU 20 H GLU 20 -5.052 6.080 14.135 142 HA GLU 20 HA GLU 20 -2.159 6.116 14.549 143 HB2 GLU 20 2HB GLU 20 -4.252 8.211 14.139 144 HB3 GLU 20 1HB GLU 20 -2.759 8.649 14.959 145 HG2 GLU 20 2HG GLU 20 -1.813 7.313 12.789 146 HG3 GLU 20 1HG GLU 20 -3.264 8.074 12.136 147 H ASP 21 H ASP 21 -4.112 4.820 16.399 148 HA ASP 21 HA ASP 21 -3.731 6.461 18.799 149 HB2 ASP 21 2HB ASP 21 -5.669 4.327 18.027 150 HB3 ASP 21 1HB ASP 21 -5.266 4.505 19.732 151 H VAL 22 H VAL 22 -2.312 3.913 17.152 152 HA VAL 22 HA VAL 22 -1.279 2.676 19.616 153 HB VAL 22 HB VAL 22 -0.510 0.838 18.228 154 HG11 VAL 22 1HG1 VAL 22 -3.229 1.144 17.135 155 HG12 VAL 22 2HG1 VAL 22 -3.076 1.326 18.883 156 HG13 VAL 22 3HG1 VAL 22 -2.530 -0.157 18.099 157 HG21 VAL 22 3HG2 VAL 22 -1.434 2.579 15.960 158 HG22 VAL 22 1HG2 VAL 22 -1.241 0.834 15.783 159 HG23 VAL 22 2HG2 VAL 22 0.146 1.836 16.208 160 H SER 23 H SER 23 1.121 1.733 18.973 161 HA SER 23 HA SER 23 2.768 4.038 18.985 162 HB2 SER 23 2HB SER 23 4.394 1.824 18.321 163 HB3 SER 23 1HB SER 23 4.158 2.546 19.912 164 HG SER 23 HG SER 23 3.561 0.153 19.332 165 HA PRO 24 HA PRO 24 3.827 3.166 14.482 166 HB2 PRO 24 2HB PRO 24 3.577 0.797 13.351 167 HB3 PRO 24 1HB PRO 24 4.825 1.047 14.579 168 HG2 PRO 24 2HG PRO 24 2.178 -0.315 14.817 169 HG3 PRO 24 1HG PRO 24 3.730 -0.750 15.549 170 HD2 PRO 24 2HD PRO 24 1.658 0.680 16.799 171 HD3 PRO 24 1HD PRO 24 3.332 0.548 17.367 172 H ALA 25 H ALA 25 2.272 4.431 13.567 173 HA ALA 25 HA ALA 25 -0.440 4.048 13.495 174 HB1 ALA 25 1HB ALA 25 1.463 5.685 12.013 175 HB2 ALA 25 2HB ALA 25 -0.121 6.095 12.675 176 HB3 ALA 25 3HB ALA 25 -0.000 5.312 11.100 177 H GLU 26 H GLU 26 -1.657 2.490 12.713 178 HA GLU 26 HA GLU 26 -0.697 0.952 10.390 179 HB2 GLU 26 2HB GLU 26 -2.796 0.049 12.352 180 HB3 GLU 26 1HB GLU 26 -1.880 -0.927 11.212 181 HG2 GLU 26 2HG GLU 26 0.174 -0.395 12.514 182 HG3 GLU 26 1HG GLU 26 -0.851 0.401 13.706 183 H LEU 27 H LEU 27 -2.584 -0.087 9.168 184 HA LEU 27 HA LEU 27 -4.753 1.861 8.784 185 HB2 LEU 27 2HB LEU 27 -3.152 2.004 6.947 186 HB3 LEU 27 1HB LEU 27 -3.264 0.276 6.688 187 HG LEU 27 HG LEU 27 -5.876 1.512 6.518 188 HD11 LEU 27 1HD1 LEU 27 -5.454 2.723 4.399 189 HD12 LEU 27 2HD1 LEU 27 -3.723 2.563 4.691 190 HD13 LEU 27 3HD1 LEU 27 -4.722 3.496 5.805 191 HD21 LEU 27 3HD2 LEU 27 -6.146 -0.108 5.012 192 HD22 LEU 27 1HD2 LEU 27 -4.534 -0.665 5.466 193 HD23 LEU 27 2HD2 LEU 27 -4.742 0.410 4.081 194 H THR 28 H THR 28 -6.550 0.896 9.547 195 HA THR 28 HA THR 28 -6.827 -2.006 9.222 196 HB THR 28 HB THR 28 -8.626 -0.304 10.913 197 HG1 THR 28 1HG THR 28 -6.812 0.255 11.871 198 HG21 THR 28 3HG2 THR 28 -9.161 -2.703 10.584 199 HG22 THR 28 1HG2 THR 28 -8.863 -2.253 12.263 200 HG23 THR 28 2HG2 THR 28 -7.620 -3.102 11.344 201 H TRP 29 H TRP 29 -7.977 -2.692 7.563 202 HA TRP 29 HA TRP 29 -10.018 -1.020 6.367 203 HB2 TRP 29 2HB TRP 29 -8.511 -2.133 4.839 204 HB3 TRP 29 1HB TRP 29 -8.853 -3.696 5.575 205 HD1 TRP 29 HD TRP 29 -10.715 -0.952 3.613 206 HE1 TRP 29 1HE TRP 29 -12.546 -2.078 2.179 207 HE3 TRP 29 3HE TRP 29 -10.134 -5.751 5.228 208 HZ2 TRP 29 2HZ TRP 29 -13.601 -4.680 1.808 209 HZ3 TRP 29 3HZ TRP 29 -11.594 -7.501 4.301 210 HH2 TRP 29 HH TRP 29 -13.287 -6.974 2.629 211 H ARG 30 H ARG 30 -11.967 -1.086 7.289 212 HA ARG 30 HA ARG 30 -12.956 -3.668 8.307 213 HB2 ARG 30 2HB ARG 30 -13.976 -0.902 8.979 214 HB3 ARG 30 1HB ARG 30 -14.460 -2.415 9.734 215 HG2 ARG 30 2HG ARG 30 -12.921 -2.028 11.280 216 HG3 ARG 30 1HG ARG 30 -11.701 -2.338 10.044 217 HD2 ARG 30 2HD ARG 30 -11.198 -0.147 9.803 218 HD3 ARG 30 1HD ARG 30 -12.865 0.371 10.051 219 HE ARG 30 HE ARG 30 -11.590 -0.615 12.433 220 HH11 ARG 30 1HH1 ARG 30 -12.113 2.184 10.415 221 HH12 ARG 30 2HH1 ARG 30 -11.824 3.316 11.693 222 HH21 ARG 30 1HH2 ARG 30 -11.210 0.871 14.115 223 HH22 ARG 30 2HH2 ARG 30 -11.311 2.570 13.795 224 H SER 31 H SER 31 -14.295 -4.661 6.945 225 HA SER 31 HA SER 31 -15.358 -3.692 4.624 226 HB2 SER 31 2HB SER 31 -17.215 -5.483 5.038 227 HB3 SER 31 1HB SER 31 -15.540 -5.998 4.848 228 HG SER 31 HG SER 31 -16.594 -5.429 7.399 229 H THR 32 H THR 32 -17.676 -3.323 4.049 230 HA THR 32 HA THR 32 -18.711 -1.165 5.597 231 HB THR 32 HB THR 32 -20.601 -2.120 3.680 232 HG1 THR 32 1HG THR 32 -17.989 -1.803 2.637 233 HG21 THR 32 3HG2 THR 32 -18.723 0.207 3.416 234 HG22 THR 32 1HG2 THR 32 -20.226 0.245 4.337 235 HG23 THR 32 2HG2 THR 32 -20.268 -0.029 2.595 236 H ASP 33 H ASP 33 -19.611 -4.466 4.945 237 HA ASP 33 HA ASP 33 -21.969 -4.338 6.571 238 HB2 ASP 33 2HB ASP 33 -21.384 -5.870 4.465 239 HB3 ASP 33 1HB ASP 33 -20.860 -6.963 5.742 240 H GLY 34 H GLY 34 -18.713 -5.567 6.858 241 HA2 GLY 34 2HA GLY 34 -17.649 -5.577 9.030 242 HA3 GLY 34 1HA GLY 34 -19.208 -5.976 9.735 243 H ASP 35 H ASP 35 -18.139 -7.549 6.827 244 HA ASP 35 HA ASP 35 -17.873 -10.046 8.348 245 HB2 ASP 35 2HB ASP 35 -18.690 -9.466 5.511 246 HB3 ASP 35 1HB ASP 35 -18.175 -11.077 6.002 247 H LYS 36 H LYS 36 -16.114 -7.785 6.474 248 HA LYS 36 HA LYS 36 -13.833 -9.649 6.403 249 HB2 LYS 36 2HB LYS 36 -14.278 -7.458 4.383 250 HB3 LYS 36 1HB LYS 36 -13.110 -8.770 4.312 251 HG2 LYS 36 2HG LYS 36 -14.665 -9.578 2.872 252 HG3 LYS 36 1HG LYS 36 -15.299 -10.246 4.377 253 HD2 LYS 36 2HD LYS 36 -16.670 -8.072 4.516 254 HD3 LYS 36 1HD LYS 36 -16.271 -7.880 2.808 255 HE2 LYS 36 2HE LYS 36 -17.632 -10.282 4.024 256 HE3 LYS 36 1HE LYS 36 -18.448 -8.981 3.157 257 HZ1 LYS 36 3HZ LYS 36 -17.662 -11.205 1.979 258 HZ2 LYS 36 1HZ LYS 36 -16.247 -10.299 1.776 259 HZ3 LYS 36 2HZ LYS 36 -17.715 -9.722 1.167 260 H VAL 37 H VAL 37 -11.877 -8.892 7.065 261 HA VAL 37 HA VAL 37 -11.605 -6.054 7.682 262 HB VAL 37 HB VAL 37 -12.348 -7.790 9.676 263 HG11 VAL 37 1HG1 VAL 37 -10.137 -8.893 9.595 264 HG12 VAL 37 2HG1 VAL 37 -10.472 -8.130 11.149 265 HG13 VAL 37 3HG1 VAL 37 -9.384 -7.351 10.001 266 HG21 VAL 37 3HG2 VAL 37 -11.712 -5.966 11.205 267 HG22 VAL 37 1HG2 VAL 37 -12.546 -5.392 9.761 268 HG23 VAL 37 2HG2 VAL 37 -10.796 -5.220 9.896 269 H HIS 38 H HIS 38 -9.438 -5.351 7.963 270 HA HIS 38 HA HIS 38 -7.262 -7.209 7.588 271 HB2 HIS 38 2HB HIS 38 -8.321 -6.525 5.271 272 HB3 HIS 38 1HB HIS 38 -7.404 -5.044 5.527 273 HD1 HIS 38 1HD HIS 38 -6.127 -8.448 6.509 274 HD2 HIS 38 2HD HIS 38 -5.491 -5.550 3.600 275 HE1 HIS 38 1HE HIS 38 -4.056 -9.172 5.281 276 HE2 HIS 38 2HE HIS 38 -3.746 -7.455 3.463 277 H THR 39 H THR 39 -5.248 -6.324 8.130 278 HA THR 39 HA THR 39 -5.286 -3.524 9.037 279 HB THR 39 HB THR 39 -3.676 -5.458 10.608 280 HG1 THR 39 1HG THR 39 -5.534 -5.996 11.849 281 HG21 THR 39 3HG2 THR 39 -4.321 -2.830 10.931 282 HG22 THR 39 1HG2 THR 39 -3.754 -3.910 12.205 283 HG23 THR 39 2HG2 THR 39 -5.482 -3.635 11.988 284 H VAL 40 H VAL 40 -3.582 -2.335 8.456 285 HA VAL 40 HA VAL 40 -1.188 -3.719 7.432 286 HB VAL 40 HB VAL 40 -2.758 -1.501 6.214 287 HG11 VAL 40 1HG1 VAL 40 -0.755 -0.951 4.784 288 HG12 VAL 40 2HG1 VAL 40 0.225 -1.810 5.974 289 HG13 VAL 40 3HG1 VAL 40 -0.681 -0.374 6.450 290 HG21 VAL 40 3HG2 VAL 40 -1.459 -4.037 5.358 291 HG22 VAL 40 1HG2 VAL 40 -1.840 -2.798 4.159 292 HG23 VAL 40 2HG2 VAL 40 -3.130 -3.504 5.135 293 H VAL 41 H VAL 41 0.704 -3.024 8.191 294 HA VAL 41 HA VAL 41 0.586 -0.737 10.015 295 HB VAL 41 HB VAL 41 2.586 -2.993 9.864 296 HG11 VAL 41 1HG1 VAL 41 3.696 -1.988 11.793 297 HG12 VAL 41 2HG1 VAL 41 2.605 -0.604 11.715 298 HG13 VAL 41 3HG1 VAL 41 3.751 -0.900 10.406 299 HG21 VAL 41 3HG2 VAL 41 0.817 -3.846 11.033 300 HG22 VAL 41 1HG2 VAL 41 0.297 -2.259 11.609 301 HG23 VAL 41 2HG2 VAL 41 1.687 -3.059 12.351 302 H LEU 42 H LEU 42 0.985 1.076 8.980 303 HA LEU 42 HA LEU 42 2.398 1.467 6.651 304 HB2 LEU 42 2HB LEU 42 1.866 3.291 8.979 305 HB3 LEU 42 1HB LEU 42 2.726 3.847 7.558 306 HG LEU 42 HG LEU 42 0.457 4.512 7.309 307 HD11 LEU 42 1HD1 LEU 42 1.761 3.089 5.432 308 HD12 LEU 42 2HD1 LEU 42 0.186 3.842 5.178 309 HD13 LEU 42 3HD1 LEU 42 0.290 2.130 5.588 310 HD21 LEU 42 3HD2 LEU 42 -0.409 1.650 7.675 311 HD22 LEU 42 1HD2 LEU 42 -1.432 3.081 7.536 312 HD23 LEU 42 2HD2 LEU 42 -0.432 2.847 8.970 313 H SER 43 H SER 43 3.625 0.991 9.863 314 HA SER 43 HA SER 43 6.195 2.092 9.520 315 HB2 SER 43 2HB SER 43 5.385 -0.208 11.311 316 HB3 SER 43 1HB SER 43 6.832 0.786 11.480 317 HG SER 43 HG SER 43 5.633 2.047 12.642 318 H THR 44 H THR 44 4.789 -0.942 8.616 319 HA THR 44 HA THR 44 7.366 -2.050 7.823 320 HB THR 44 HB THR 44 6.333 -4.123 7.658 321 HG1 THR 44 1HG THR 44 3.816 -2.855 7.374 322 HG21 THR 44 3HG2 THR 44 6.116 -3.445 9.969 323 HG22 THR 44 1HG2 THR 44 4.724 -4.412 9.478 324 HG23 THR 44 2HG2 THR 44 4.579 -2.659 9.610 325 H ILE 45 H ILE 45 4.438 -0.756 6.502 326 HA ILE 45 HA ILE 45 4.494 -1.511 3.884 327 HB ILE 45 HB ILE 45 3.823 1.226 4.967 328 HG12 ILE 45 2HG1 ILE 45 2.402 -0.415 5.952 329 HG13 ILE 45 1HG1 ILE 45 1.467 0.346 4.668 330 HG21 ILE 45 1HG2 ILE 45 2.578 1.603 2.916 331 HG22 ILE 45 2HG2 ILE 45 3.091 0.036 2.294 332 HG23 ILE 45 3HG2 ILE 45 4.278 1.313 2.554 333 HD11 ILE 45 3HD1 ILE 45 2.583 -1.749 3.351 334 HD12 ILE 45 1HD1 ILE 45 0.982 -1.755 4.089 335 HD13 ILE 45 2HD1 ILE 45 2.359 -2.422 4.965 336 H ASP 46 H ASP 46 6.334 -1.707 2.757 337 HA ASP 46 HA ASP 46 8.604 -0.124 2.916 338 HB2 ASP 46 2HB ASP 46 7.897 -2.375 1.527 339 HB3 ASP 46 1HB ASP 46 8.057 -1.194 0.232 340 H LYS 47 H LYS 47 5.678 0.332 1.005 341 HA LYS 47 HA LYS 47 6.143 3.094 0.696 342 HB2 LYS 47 2HB LYS 47 6.304 2.967 -1.882 343 HB3 LYS 47 1HB LYS 47 7.763 2.722 -0.933 344 HG2 LYS 47 2HG LYS 47 7.153 0.208 -1.122 345 HG3 LYS 47 1HG LYS 47 6.148 0.744 -2.469 346 HD2 LYS 47 2HD LYS 47 8.228 1.914 -3.349 347 HD3 LYS 47 1HD LYS 47 9.128 0.976 -2.156 348 HE2 LYS 47 2HE LYS 47 8.281 -1.093 -3.142 349 HE3 LYS 47 1HE LYS 47 7.367 -0.159 -4.327 350 HZ1 LYS 47 3HZ LYS 47 9.288 -0.758 -5.448 351 HZ2 LYS 47 1HZ LYS 47 10.290 -0.505 -4.109 352 HZ3 LYS 47 2HZ LYS 47 9.636 0.816 -4.938 353 H LEU 48 H LEU 48 4.587 4.066 -0.944 354 HA LEU 48 HA LEU 48 2.063 2.553 -0.842 355 HB2 LEU 48 2HB LEU 48 2.743 5.219 -0.091 356 HB3 LEU 48 1HB LEU 48 1.639 5.310 -1.450 357 HG LEU 48 HG LEU 48 0.250 3.580 -0.011 358 HD11 LEU 48 1HD1 LEU 48 2.113 3.533 1.712 359 HD12 LEU 48 2HD1 LEU 48 0.479 3.802 2.319 360 HD13 LEU 48 3HD1 LEU 48 1.596 5.159 2.162 361 HD21 LEU 48 3HD2 LEU 48 -1.154 5.322 0.523 362 HD22 LEU 48 1HD2 LEU 48 -0.169 6.058 -0.740 363 HD23 LEU 48 2HD2 LEU 48 0.172 6.401 0.956 364 H GLN 49 H GLN 49 0.544 2.992 -2.662 365 HA GLN 49 HA GLN 49 1.812 3.842 -5.143 366 HB2 GLN 49 2HB GLN 49 1.018 1.047 -4.513 367 HB3 GLN 49 1HB GLN 49 0.680 1.640 -6.133 368 HG2 GLN 49 2HG GLN 49 3.042 2.212 -6.411 369 HG3 GLN 49 1HG GLN 49 3.374 1.596 -4.794 370 HE21 GLN 49 1HE2 GLN 49 3.640 0.866 -7.931 371 HE22 GLN 49 2HE2 GLN 49 3.558 -0.867 -7.860 372 H ALA 50 H ALA 50 0.445 4.877 -6.457 373 HA ALA 50 HA ALA 50 -2.438 4.448 -6.162 374 HB1 ALA 50 1HB ALA 50 -2.848 6.873 -6.152 375 HB2 ALA 50 2HB ALA 50 -1.109 7.154 -6.062 376 HB3 ALA 50 3HB ALA 50 -1.941 6.345 -4.734 377 H THR 51 H THR 51 -3.494 4.410 -8.052 378 HA THR 51 HA THR 51 -2.220 4.208 -10.492 379 HB THR 51 HB THR 51 -4.703 5.046 -11.247 380 HG1 THR 51 1HG THR 51 -5.152 5.422 -8.961 381 HG21 THR 51 3HG2 THR 51 -3.879 2.896 -11.853 382 HG22 THR 51 1HG2 THR 51 -5.427 2.682 -11.037 383 HG23 THR 51 2HG2 THR 51 -3.924 2.349 -10.177 384 HA PRO 52 HA PRO 52 -0.849 8.515 -10.944 385 HB2 PRO 52 2HB PRO 52 0.063 7.904 -13.523 386 HB3 PRO 52 1HB PRO 52 1.026 7.862 -12.042 387 HG2 PRO 52 2HG PRO 52 -0.417 5.636 -13.424 388 HG3 PRO 52 1HG PRO 52 1.194 5.631 -12.683 389 HD2 PRO 52 2HD PRO 52 -0.813 4.525 -11.414 390 HD3 PRO 52 1HD PRO 52 0.296 5.584 -10.512 391 H ALA 53 H ALA 53 -1.325 10.188 -12.540 392 HA ALA 53 HA ALA 53 -3.978 10.423 -13.213 393 HB1 ALA 53 1HB ALA 53 -1.569 11.728 -14.460 394 HB2 ALA 53 2HB ALA 53 -2.600 12.360 -13.176 395 HB3 ALA 53 3HB ALA 53 -3.231 12.202 -14.815 396 H SER 54 H SER 54 -1.521 8.648 -14.892 397 HA SER 54 HA SER 54 -2.817 8.586 -17.434 398 HB2 SER 54 2HB SER 54 -0.683 6.801 -16.246 399 HB3 SER 54 1HB SER 54 -1.213 6.741 -17.926 400 HG SER 54 HG SER 54 0.005 8.930 -16.593 401 H SER 55 H SER 55 -3.234 6.888 -14.482 402 HA SER 55 HA SER 55 -4.729 4.732 -15.777 403 HB2 SER 55 2HB SER 55 -3.697 5.142 -12.976 404 HB3 SER 55 1HB SER 55 -4.882 3.889 -13.348 405 HG SER 55 HG SER 55 -2.277 4.171 -14.433 406 H GLU 56 H GLU 56 -6.814 5.057 -16.140 407 HA GLU 56 HA GLU 56 -8.283 7.115 -14.789 408 HB2 GLU 56 2HB GLU 56 -9.415 5.004 -16.619 409 HB3 GLU 56 1HB GLU 56 -10.082 6.592 -16.264 410 HG2 GLU 56 2HG GLU 56 -7.397 6.344 -17.546 411 HG3 GLU 56 1HG GLU 56 -8.865 6.181 -18.508 412 H LYS 57 H LYS 57 -7.714 3.801 -14.177 413 HA LYS 57 HA LYS 57 -10.156 3.361 -12.755 414 HB2 LYS 57 2HB LYS 57 -8.523 1.304 -12.013 415 HB3 LYS 57 1HB LYS 57 -9.593 1.302 -13.398 416 HG2 LYS 57 2HG LYS 57 -6.850 2.367 -13.760 417 HG3 LYS 57 1HG LYS 57 -7.066 0.624 -13.600 418 HD2 LYS 57 2HD LYS 57 -7.505 0.631 -15.794 419 HD3 LYS 57 1HD LYS 57 -9.060 1.329 -15.346 420 HE2 LYS 57 2HE LYS 57 -8.429 3.460 -15.912 421 HE3 LYS 57 1HE LYS 57 -6.708 3.113 -15.729 422 HZ1 LYS 57 3HZ LYS 57 -7.209 1.513 -17.731 423 HZ2 LYS 57 1HZ LYS 57 -6.881 3.154 -17.986 424 HZ3 LYS 57 2HZ LYS 57 -8.478 2.597 -18.005 425 H MET 58 H MET 58 -10.511 3.895 -10.695 426 HA MET 58 HA MET 58 -8.444 5.056 -9.098 427 HB2 MET 58 2HB MET 58 -11.364 4.616 -8.854 428 HB3 MET 58 1HB MET 58 -10.471 4.745 -7.344 429 HG2 MET 58 2HG MET 58 -10.588 6.941 -7.533 430 HG3 MET 58 1HG MET 58 -9.530 6.830 -8.937 431 HE1 MET 58 3HE MET 58 -10.268 6.092 -11.066 432 HE2 MET 58 1HE MET 58 -11.052 7.495 -11.795 433 HE3 MET 58 2HE MET 58 -11.930 5.972 -11.648 434 H MET 59 H MET 59 -6.904 3.752 -8.291 435 HA MET 59 HA MET 59 -7.644 1.738 -6.381 436 HB2 MET 59 2HB MET 59 -6.086 0.044 -7.638 437 HB3 MET 59 1HB MET 59 -7.788 0.171 -8.057 438 HG2 MET 59 2HG MET 59 -6.998 1.856 -9.836 439 HG3 MET 59 1HG MET 59 -5.401 1.165 -9.554 440 HE1 MET 59 3HE MET 59 -4.563 -0.773 -10.141 441 HE2 MET 59 1HE MET 59 -4.849 -0.552 -11.869 442 HE3 MET 59 2HE MET 59 -5.264 -2.082 -11.094 443 H LEU 60 H LEU 60 -6.085 1.391 -4.883 444 HA LEU 60 HA LEU 60 -3.451 2.622 -5.377 445 HB2 LEU 60 2HB LEU 60 -5.394 3.077 -3.221 446 HB3 LEU 60 1HB LEU 60 -3.756 2.799 -2.664 447 HG LEU 60 HG LEU 60 -3.039 4.632 -4.275 448 HD11 LEU 60 1HD1 LEU 60 -4.639 6.134 -5.126 449 HD12 LEU 60 2HD1 LEU 60 -5.941 5.404 -4.186 450 HD13 LEU 60 3HD1 LEU 60 -5.232 4.525 -5.540 451 HD21 LEU 60 3HD2 LEU 60 -3.701 4.711 -1.676 452 HD22 LEU 60 1HD2 LEU 60 -4.860 5.877 -2.313 453 HD23 LEU 60 2HD2 LEU 60 -3.133 6.118 -2.574 454 H ARG 61 H ARG 61 -1.660 1.566 -4.561 455 HA ARG 61 HA ARG 61 -2.167 -1.127 -3.480 456 HB2 ARG 61 2HB ARG 61 -0.256 -0.110 -5.513 457 HB3 ARG 61 1HB ARG 61 0.321 -1.379 -4.441 458 HG2 ARG 61 2HG ARG 61 -2.318 -1.806 -5.692 459 HG3 ARG 61 1HG ARG 61 -0.912 -1.863 -6.756 460 HD2 ARG 61 2HD ARG 61 -0.057 -3.358 -4.650 461 HD3 ARG 61 1HD ARG 61 -1.780 -3.730 -4.662 462 HE ARG 61 HE ARG 61 -1.435 -4.977 -6.535 463 HH11 ARG 61 1HH1 ARG 61 1.209 -2.719 -6.227 464 HH12 ARG 61 2HH1 ARG 61 2.085 -3.369 -7.572 465 HH21 ARG 61 1HH2 ARG 61 -0.283 -5.834 -8.304 466 HH22 ARG 61 2HH2 ARG 61 1.239 -5.137 -8.750 467 H LEU 62 H LEU 62 -0.682 -1.963 -1.935 468 HA LEU 62 HA LEU 62 0.874 0.087 -0.509 469 HB2 LEU 62 2HB LEU 62 -1.462 -0.980 0.404 470 HB3 LEU 62 1HB LEU 62 -0.294 -2.073 1.114 471 HG LEU 62 HG LEU 62 0.321 -0.583 2.677 472 HD11 LEU 62 1HD1 LEU 62 1.609 0.790 1.183 473 HD12 LEU 62 2HD1 LEU 62 0.682 1.818 2.276 474 HD13 LEU 62 3HD1 LEU 62 0.149 1.595 0.608 475 HD21 LEU 62 3HD2 LEU 62 -2.109 0.862 1.655 476 HD22 LEU 62 1HD2 LEU 62 -1.379 1.079 3.245 477 HD23 LEU 62 2HD2 LEU 62 -2.097 -0.472 2.808 478 H ILE 63 H ILE 63 2.957 -0.443 -0.543 479 HA ILE 63 HA ILE 63 3.769 -3.209 -0.913 480 HB ILE 63 HB ILE 63 5.453 -0.708 -0.688 481 HG12 ILE 63 2HG1 ILE 63 4.042 -0.652 -2.669 482 HG13 ILE 63 1HG1 ILE 63 5.710 -0.964 -3.140 483 HG21 ILE 63 1HG2 ILE 63 6.224 -3.479 -1.599 484 HG22 ILE 63 2HG2 ILE 63 6.662 -2.749 -0.054 485 HG23 ILE 63 3HG2 ILE 63 7.274 -2.062 -1.558 486 HD11 ILE 63 3HD1 ILE 63 3.366 -2.505 -3.652 487 HD12 ILE 63 1HD1 ILE 63 4.531 -3.470 -2.744 488 HD13 ILE 63 2HD1 ILE 63 5.005 -2.718 -4.268 489 H GLY 64 H GLY 64 4.567 -4.508 0.638 490 HA2 GLY 64 2HA GLY 64 4.713 -3.409 3.359 491 HA3 GLY 64 1HA GLY 64 4.534 -5.106 2.945 492 H LYS 65 H LYS 65 6.389 -4.273 4.828 493 HA LYS 65 HA LYS 65 8.957 -3.738 3.897 494 HB2 LYS 65 2HB LYS 65 7.831 -4.152 6.352 495 HB3 LYS 65 1HB LYS 65 8.825 -5.593 6.179 496 HG2 LYS 65 2HG LYS 65 10.090 -3.910 7.313 497 HG3 LYS 65 1HG LYS 65 10.771 -4.137 5.700 498 HD2 LYS 65 2HD LYS 65 9.573 -2.156 4.914 499 HD3 LYS 65 1HD LYS 65 8.876 -1.934 6.520 500 HE2 LYS 65 2HE LYS 65 11.844 -2.065 6.161 501 HE3 LYS 65 1HE LYS 65 10.974 -0.567 5.832 502 HZ1 LYS 65 3HZ LYS 65 10.494 -0.258 8.010 503 HZ2 LYS 65 1HZ LYS 65 11.921 -1.147 8.211 504 HZ3 LYS 65 2HZ LYS 65 10.419 -1.911 8.364 505 H VAL 66 H VAL 66 10.699 -5.009 3.285 506 HA VAL 66 HA VAL 66 10.047 -7.718 2.443 507 HB VAL 66 HB VAL 66 10.590 -6.121 0.671 508 HG11 VAL 66 1HG1 VAL 66 12.125 -4.574 1.045 509 HG12 VAL 66 2HG1 VAL 66 13.349 -5.827 0.832 510 HG13 VAL 66 3HG1 VAL 66 12.751 -5.443 2.446 511 HG21 VAL 66 3HG2 VAL 66 11.165 -8.047 -0.294 512 HG22 VAL 66 1HG2 VAL 66 11.982 -8.629 1.158 513 HG23 VAL 66 2HG2 VAL 66 12.834 -7.576 0.028 514 H ASP 67 H ASP 67 13.179 -7.389 2.169 515 HA ASP 67 HA ASP 67 14.197 -7.709 4.774 516 HB2 ASP 67 2HB ASP 67 14.757 -10.140 4.630 517 HB3 ASP 67 1HB ASP 67 13.032 -9.821 4.777 518 H GLU 68 H GLU 68 16.205 -6.992 4.599 519 HA GLU 68 HA GLU 68 17.628 -7.358 2.058 520 HB2 GLU 68 2HB GLU 68 18.053 -5.405 4.324 521 HB3 GLU 68 1HB GLU 68 19.128 -5.546 2.940 522 HG2 GLU 68 2HG GLU 68 17.744 -4.422 1.589 523 HG3 GLU 68 1HG GLU 68 16.304 -5.195 2.251 524 H SER 69 H SER 69 17.397 -9.465 4.048 525 HA SER 69 HA SER 69 20.102 -9.638 5.143 526 HB2 SER 69 2HB SER 69 19.269 -11.573 6.402 527 HB3 SER 69 1HB SER 69 18.232 -10.169 6.652 528 HG SER 69 HG SER 69 16.674 -11.084 5.464 529 H LYS 70 H LYS 70 18.185 -10.829 2.562 530 HA LYS 70 HA LYS 70 20.438 -12.389 1.594 531 HB2 LYS 70 2HB LYS 70 17.690 -13.593 1.971 532 HB3 LYS 70 1HB LYS 70 19.013 -14.355 1.098 533 HG2 LYS 70 2HG LYS 70 19.092 -13.605 4.012 534 HG3 LYS 70 1HG LYS 70 18.724 -15.215 3.392 535 HD2 LYS 70 2HD LYS 70 21.283 -13.725 2.820 536 HD3 LYS 70 1HD LYS 70 21.095 -14.909 4.115 537 HE2 LYS 70 2HE LYS 70 20.252 -16.466 2.217 538 HE3 LYS 70 1HE LYS 70 21.063 -15.320 1.151 539 HZ1 LYS 70 3HZ LYS 70 22.455 -17.236 1.825 540 HZ2 LYS 70 1HZ LYS 70 22.390 -16.689 3.425 541 HZ3 LYS 70 2HZ LYS 70 23.128 -15.741 2.236 542 H LYS 71 H LYS 71 20.579 -10.789 -0.009 543 HA LYS 71 HA LYS 71 18.438 -9.966 -1.642 544 HB2 LYS 71 2HB LYS 71 21.412 -9.825 -1.815 545 HB3 LYS 71 1HB LYS 71 20.480 -9.492 -3.269 546 HG2 LYS 71 2HG LYS 71 19.212 -8.000 -1.318 547 HG3 LYS 71 1HG LYS 71 20.926 -7.845 -0.928 548 HD2 LYS 71 2HD LYS 71 21.363 -7.182 -3.267 549 HD3 LYS 71 1HD LYS 71 19.630 -7.264 -3.592 550 HE2 LYS 71 2HE LYS 71 19.508 -5.634 -1.528 551 HE3 LYS 71 1HE LYS 71 21.177 -5.290 -1.981 552 HZ1 LYS 71 3HZ LYS 71 20.548 -4.352 -3.951 553 HZ2 LYS 71 1HZ LYS 71 19.213 -3.934 -2.997 554 HZ3 LYS 71 2HZ LYS 71 19.114 -5.241 -4.065 555 H ARG 72 H ARG 72 18.498 -10.324 -4.096 556 HA ARG 72 HA ARG 72 19.406 -12.895 -5.003 557 HB2 ARG 72 2HB ARG 72 17.161 -13.768 -5.550 558 HB3 ARG 72 1HB ARG 72 17.415 -13.612 -3.818 559 HG2 ARG 72 2HG ARG 72 15.383 -12.663 -3.877 560 HG3 ARG 72 1HG ARG 72 16.294 -11.224 -4.342 561 HD2 ARG 72 2HD ARG 72 15.988 -12.110 -6.755 562 HD3 ARG 72 1HD ARG 72 14.701 -13.092 -6.057 563 HE ARG 72 HE ARG 72 14.509 -10.305 -5.388 564 HH11 ARG 72 1HH1 ARG 72 13.714 -12.732 -7.766 565 HH12 ARG 72 2HH1 ARG 72 12.374 -11.843 -8.409 566 HH21 ARG 72 1HH2 ARG 72 12.747 -9.134 -6.232 567 HH22 ARG 72 2HH2 ARG 72 11.825 -9.801 -7.539 568 H LYS 73 H LYS 73 18.604 -13.312 -7.292 569 HA LYS 73 HA LYS 73 18.507 -10.740 -8.718 570 HB2 LYS 73 2HB LYS 73 19.355 -13.385 -9.889 571 HB3 LYS 73 1HB LYS 73 19.633 -11.774 -10.539 572 HG2 LYS 73 2HG LYS 73 20.834 -11.711 -8.043 573 HG3 LYS 73 1HG LYS 73 21.209 -13.318 -8.669 574 HD2 LYS 73 2HD LYS 73 21.752 -11.935 -10.862 575 HD3 LYS 73 1HD LYS 73 22.007 -10.640 -9.690 576 HE2 LYS 73 2HE LYS 73 24.115 -11.563 -9.829 577 HE3 LYS 73 1HE LYS 73 23.440 -12.421 -8.444 578 HZ1 LYS 73 3HZ LYS 73 24.606 -13.641 -10.489 579 HZ2 LYS 73 1HZ LYS 73 23.006 -13.649 -11.042 580 HZ3 LYS 73 2HZ LYS 73 23.392 -14.361 -9.558 581 H ASP 74 H ASP 74 17.522 -11.055 -11.022 582 HA ASP 74 HA ASP 74 14.885 -12.278 -10.623 583 HB2 ASP 74 2HB ASP 74 15.465 -9.757 -11.393 584 HB3 ASP 74 1HB ASP 74 15.368 -10.534 -12.970 585 H ASN 75 H ASN 75 17.348 -13.734 -11.426 586 HA ASN 75 HA ASN 75 17.762 -15.565 -12.728 587 HB2 ASN 75 2HB ASN 75 15.144 -15.589 -12.833 588 HB3 ASN 75 1HB ASN 75 15.396 -15.010 -14.477 589 HD21 ASN 75 1HD2 ASN 75 16.823 -16.317 -15.847 590 HD22 ASN 75 2HD2 ASN 75 16.807 -18.033 -15.650 591 H GLU 76 H GLU 76 17.797 -12.433 -13.690 592 HA GLU 76 HA GLU 76 18.803 -13.037 -16.377 593 HB2 GLU 76 2HB GLU 76 18.450 -10.228 -15.492 594 HB3 GLU 76 1HB GLU 76 18.146 -10.953 -17.064 595 HG2 GLU 76 2HG GLU 76 16.095 -11.963 -16.195 596 HG3 GLU 76 1HG GLU 76 16.405 -11.223 -14.625 597 H GLY 77 H GLY 77 19.625 -11.708 -13.287 598 HA2 GLY 77 2HA GLY 77 22.097 -12.139 -12.823 599 HA3 GLY 77 1HA GLY 77 22.357 -11.139 -14.243 600 H ASN 78 H ASN 78 19.759 -9.731 -13.000 601 HA ASN 78 HA ASN 78 21.339 -7.704 -11.643 602 HB2 ASN 78 2HB ASN 78 18.366 -7.631 -12.155 603 HB3 ASN 78 1HB ASN 78 19.452 -6.273 -11.873 604 HD21 ASN 78 1HD2 ASN 78 21.439 -6.496 -13.525 605 HD22 ASN 78 2HD2 ASN 78 20.924 -6.584 -15.180 606 H GLU 79 H GLU 79 21.744 -8.033 -9.555 607 HA GLU 79 HA GLU 79 20.186 -9.664 -7.853 608 HB2 GLU 79 2HB GLU 79 21.584 -8.700 -6.032 609 HB3 GLU 79 1HB GLU 79 22.522 -9.329 -7.379 610 HG2 GLU 79 2HG GLU 79 21.847 -6.485 -7.582 611 HG3 GLU 79 1HG GLU 79 22.893 -6.907 -6.226 612 H VAL 80 H VAL 80 18.059 -8.744 -8.274 613 HA VAL 80 HA VAL 80 17.488 -6.113 -7.212 614 HB VAL 80 HB VAL 80 15.183 -6.525 -7.881 615 HG11 VAL 80 1HG1 VAL 80 16.167 -5.709 -9.742 616 HG12 VAL 80 2HG1 VAL 80 15.825 -7.325 -10.360 617 HG13 VAL 80 3HG1 VAL 80 17.433 -6.937 -9.745 618 HG21 VAL 80 3HG2 VAL 80 14.674 -8.732 -7.441 619 HG22 VAL 80 1HG2 VAL 80 16.156 -9.334 -8.185 620 HG23 VAL 80 2HG2 VAL 80 14.833 -8.753 -9.198 621 H VAL 81 H VAL 81 15.151 -6.260 -5.947 622 HA VAL 81 HA VAL 81 15.789 -7.802 -3.529 623 HB VAL 81 HB VAL 81 13.896 -5.461 -3.784 624 HG11 VAL 81 1HG1 VAL 81 13.798 -5.440 -1.430 625 HG12 VAL 81 2HG1 VAL 81 15.150 -6.564 -1.284 626 HG13 VAL 81 3HG1 VAL 81 13.595 -7.130 -1.893 627 HG21 VAL 81 3HG2 VAL 81 16.586 -5.285 -4.083 628 HG22 VAL 81 1HG2 VAL 81 16.429 -5.105 -2.336 629 HG23 VAL 81 2HG2 VAL 81 15.572 -4.005 -3.416 630 HA PRO 82 HA PRO 82 12.486 -10.661 -4.232 631 HB2 PRO 82 2HB PRO 82 11.683 -10.836 -1.545 632 HB3 PRO 82 1HB PRO 82 12.852 -11.873 -2.365 633 HG2 PRO 82 2HG PRO 82 13.309 -9.516 -0.617 634 HG3 PRO 82 1HG PRO 82 14.277 -10.988 -0.800 635 HD2 PRO 82 2HD PRO 82 15.061 -8.662 -1.867 636 HD3 PRO 82 1HD PRO 82 15.335 -10.203 -2.710 637 H LYS 83 H LYS 83 10.376 -10.470 -4.723 638 HA LYS 83 HA LYS 83 9.048 -8.037 -4.636 639 HB2 LYS 83 2HB LYS 83 8.147 -10.861 -5.064 640 HB3 LYS 83 1HB LYS 83 6.953 -9.575 -4.957 641 HG2 LYS 83 2HG LYS 83 7.259 -9.486 -7.181 642 HG3 LYS 83 1HG LYS 83 8.641 -8.482 -6.736 643 HD2 LYS 83 2HD LYS 83 9.785 -9.943 -8.018 644 HD3 LYS 83 1HD LYS 83 9.747 -10.940 -6.562 645 HE2 LYS 83 2HE LYS 83 7.780 -12.101 -7.374 646 HE3 LYS 83 1HE LYS 83 7.725 -11.059 -8.797 647 HZ1 LYS 83 3HZ LYS 83 10.207 -12.514 -8.321 648 HZ2 LYS 83 1HZ LYS 83 9.424 -12.154 -9.778 649 HZ3 LYS 83 2HZ LYS 83 8.874 -13.430 -8.814 650 HA PRO 84 HA PRO 84 7.995 -8.122 -0.241 651 HB2 PRO 84 2HB PRO 84 7.056 -5.591 -0.123 652 HB3 PRO 84 1HB PRO 84 8.783 -5.972 -0.119 653 HG2 PRO 84 2HG PRO 84 7.040 -5.119 -2.394 654 HG3 PRO 84 1HG PRO 84 8.658 -4.545 -1.954 655 HD2 PRO 84 2HD PRO 84 8.263 -6.348 -3.920 656 HD3 PRO 84 1HD PRO 84 9.700 -6.391 -2.877 657 H GLN 85 H GLN 85 6.114 -8.549 0.820 658 HA GLN 85 HA GLN 85 3.793 -9.160 -0.645 659 HB2 GLN 85 2HB GLN 85 4.165 -8.742 2.327 660 HB3 GLN 85 1HB GLN 85 2.718 -9.420 1.592 661 HG2 GLN 85 2HG GLN 85 5.377 -10.663 1.061 662 HG3 GLN 85 1HG GLN 85 4.535 -10.986 2.576 663 HE21 GLN 85 1HE2 GLN 85 4.805 -11.745 -0.712 664 HE22 GLN 85 2HE2 GLN 85 3.449 -12.823 -0.824 665 H ARG 86 H ARG 86 2.406 -7.787 -1.537 666 HA ARG 86 HA ARG 86 1.805 -5.281 -0.112 667 HB2 ARG 86 2HB ARG 86 1.524 -4.192 -2.319 668 HB3 ARG 86 1HB ARG 86 3.170 -4.744 -2.035 669 HG2 ARG 86 2HG ARG 86 2.265 -6.887 -3.307 670 HG3 ARG 86 1HG ARG 86 1.154 -5.696 -3.985 671 HD2 ARG 86 2HD ARG 86 3.053 -4.322 -4.683 672 HD3 ARG 86 1HD ARG 86 4.165 -5.508 -4.000 673 HE ARG 86 HE ARG 86 2.869 -5.640 -6.531 674 HH11 ARG 86 1HH1 ARG 86 4.033 -7.610 -3.895 675 HH12 ARG 86 2HH1 ARG 86 4.277 -9.010 -4.885 676 HH21 ARG 86 1HH2 ARG 86 3.189 -7.481 -7.833 677 HH22 ARG 86 2HH2 ARG 86 3.798 -8.937 -7.120 678 H HIS 87 H HIS 87 -0.303 -4.344 -0.633 679 HA HIS 87 HA HIS 87 -2.287 -6.435 -1.243 680 HB2 HIS 87 2HB HIS 87 -2.827 -3.970 0.407 681 HB3 HIS 87 1HB HIS 87 -3.789 -5.440 0.301 682 HD1 HIS 87 1HD HIS 87 -2.412 -7.655 1.268 683 HD2 HIS 87 2HD HIS 87 -1.253 -3.893 2.600 684 HE1 HIS 87 1HE HIS 87 -1.124 -8.061 3.389 685 HE2 HIS 87 2HE HIS 87 -0.357 -5.778 4.129 686 H MET 88 H MET 88 -4.146 -5.839 -2.444 687 HA MET 88 HA MET 88 -3.733 -3.444 -4.106 688 HB2 MET 88 2HB MET 88 -3.697 -5.791 -5.154 689 HB3 MET 88 1HB MET 88 -5.432 -5.807 -4.872 690 HG2 MET 88 2HG MET 88 -5.837 -4.154 -6.422 691 HG3 MET 88 1HG MET 88 -4.195 -3.521 -6.331 692 HE1 MET 88 3HE MET 88 -3.585 -3.192 -8.300 693 HE2 MET 88 1HE MET 88 -3.988 -4.095 -9.760 694 HE3 MET 88 2HE MET 88 -2.477 -4.420 -8.912 695 H PHE 89 H PHE 89 -4.990 -1.826 -3.461 696 HA PHE 89 HA PHE 89 -7.736 -2.438 -2.591 697 HB2 PHE 89 2HB PHE 89 -6.093 0.031 -1.991 698 HB3 PHE 89 1HB PHE 89 -7.693 -0.337 -1.356 699 HD1 PHE 89 1HD PHE 89 -7.689 -2.910 -0.331 700 HD2 PHE 89 2HD PHE 89 -4.432 -0.174 -0.437 701 HE1 PHE 89 1HE PHE 89 -6.665 -4.061 1.587 702 HE2 PHE 89 2HE PHE 89 -3.402 -1.319 1.481 703 HZ PHE 89 HZ PHE 89 -4.519 -3.265 2.496 704 H SER 90 H SER 90 -9.400 -1.679 -3.753 705 HA SER 90 HA SER 90 -8.775 0.115 -5.998 706 HB2 SER 90 2HB SER 90 -11.208 -0.828 -6.654 707 HB3 SER 90 1HB SER 90 -9.713 -1.664 -7.077 708 HG SER 90 HG SER 90 -9.996 -3.014 -5.327 709 H PHE 91 H PHE 91 -9.323 2.158 -5.689 710 HA PHE 91 HA PHE 91 -11.312 2.896 -3.728 711 HB2 PHE 91 2HB PHE 91 -9.425 4.440 -5.492 712 HB3 PHE 91 1HB PHE 91 -10.692 5.254 -4.579 713 HD1 PHE 91 1HD PHE 91 -8.368 2.453 -3.746 714 HD2 PHE 91 2HD PHE 91 -9.766 6.357 -2.797 715 HE1 PHE 91 1HE PHE 91 -6.920 2.481 -1.759 716 HE2 PHE 91 2HE PHE 91 -8.322 6.396 -0.810 717 HZ PHE 91 HZ PHE 91 -6.898 4.458 -0.282 718 H ASN 92 H ASN 92 -13.256 3.951 -4.130 719 HA ASN 92 HA ASN 92 -14.262 3.634 -6.875 720 HB2 ASN 92 2HB ASN 92 -16.526 3.689 -5.799 721 HB3 ASN 92 1HB ASN 92 -15.524 2.328 -5.303 722 HD21 ASN 92 1HD2 ASN 92 -16.448 1.970 -3.351 723 HD22 ASN 92 2HD2 ASN 92 -16.386 3.089 -2.036 724 H ASN 93 H ASN 93 -12.724 5.959 -5.810 725 HA ASN 93 HA ASN 93 -14.235 8.002 -7.041 726 HB2 ASN 93 2HB ASN 93 -15.088 7.588 -4.474 727 HB3 ASN 93 1HB ASN 93 -13.875 8.843 -4.245 728 HD21 ASN 93 1HD2 ASN 93 -14.893 10.697 -4.034 729 HD22 ASN 93 2HD2 ASN 93 -16.168 11.281 -5.057 730 H ARG 94 H ARG 94 -13.104 10.032 -7.135 731 HA ARG 94 HA ARG 94 -10.248 9.670 -7.084 732 HB2 ARG 94 2HB ARG 94 -10.175 11.923 -8.078 733 HB3 ARG 94 1HB ARG 94 -11.270 10.854 -8.944 734 HG2 ARG 94 2HG ARG 94 -12.666 12.601 -8.830 735 HG3 ARG 94 1HG ARG 94 -12.982 12.002 -7.201 736 HD2 ARG 94 2HD ARG 94 -11.439 13.553 -6.252 737 HD3 ARG 94 1HD ARG 94 -10.845 14.024 -7.843 738 HE ARG 94 HE ARG 94 -13.116 15.071 -6.497 739 HH11 ARG 94 1HH1 ARG 94 -11.917 14.254 -9.671 740 HH12 ARG 94 2HH1 ARG 94 -12.917 15.410 -10.484 741 HH21 ARG 94 1HH2 ARG 94 -14.433 16.592 -7.564 742 HH22 ARG 94 2HH2 ARG 94 -14.346 16.738 -9.288 743 H THR 95 H THR 95 -12.634 11.549 -5.302 744 HA THR 95 HA THR 95 -10.826 13.119 -3.826 745 HB THR 95 HB THR 95 -13.669 12.603 -3.872 746 HG1 THR 95 1HG THR 95 -13.700 14.799 -3.411 747 HG21 THR 95 3HG2 THR 95 -12.379 13.033 -1.209 748 HG22 THR 95 1HG2 THR 95 -13.592 11.837 -1.660 749 HG23 THR 95 2HG2 THR 95 -14.031 13.542 -1.559 750 H VAL 96 H VAL 96 -12.437 10.046 -3.077 751 HA VAL 96 HA VAL 96 -11.443 9.727 -0.485 752 HB VAL 96 HB VAL 96 -13.253 8.340 -1.435 753 HG11 VAL 96 1HG1 VAL 96 -11.739 6.276 -2.662 754 HG12 VAL 96 2HG1 VAL 96 -11.323 7.801 -3.444 755 HG13 VAL 96 3HG1 VAL 96 -13.005 7.281 -3.365 756 HG21 VAL 96 3HG2 VAL 96 -11.936 7.655 0.573 757 HG22 VAL 96 1HG2 VAL 96 -10.954 6.641 -0.484 758 HG23 VAL 96 2HG2 VAL 96 -12.678 6.315 -0.302 759 H MET 97 H MET 97 -9.932 9.257 -3.577 760 HA MET 97 HA MET 97 -7.796 7.609 -2.682 761 HB2 MET 97 2HB MET 97 -8.329 7.580 -5.011 762 HB3 MET 97 1HB MET 97 -8.161 9.326 -5.130 763 HG2 MET 97 2HG MET 97 -5.820 9.218 -4.954 764 HG3 MET 97 1HG MET 97 -5.860 7.542 -4.410 765 HE1 MET 97 3HE MET 97 -4.336 9.219 -7.139 766 HE2 MET 97 1HE MET 97 -5.899 10.030 -7.249 767 HE3 MET 97 2HE MET 97 -5.331 9.024 -8.582 768 H ASP 98 H ASP 98 -8.224 11.049 -3.111 769 HA ASP 98 HA ASP 98 -5.546 11.786 -2.533 770 HB2 ASP 98 2HB ASP 98 -8.001 13.506 -2.157 771 HB3 ASP 98 1HB ASP 98 -6.349 14.044 -2.444 772 H ASN 99 H ASN 99 -8.302 11.028 -0.561 773 HA ASN 99 HA ASN 99 -7.314 12.271 1.823 774 HB2 ASN 99 2HB ASN 99 -9.542 10.335 1.241 775 HB3 ASN 99 1HB ASN 99 -9.112 10.763 2.894 776 HD21 ASN 99 1HD2 ASN 99 -11.243 11.406 0.587 777 HD22 ASN 99 2HD2 ASN 99 -11.604 13.069 0.932 778 H ILE 100 H ILE 100 -7.161 9.057 0.408 779 HA ILE 100 HA ILE 100 -5.883 7.931 2.756 780 HB ILE 100 HB ILE 100 -6.396 6.715 0.038 781 HG12 ILE 100 2HG1 ILE 100 -8.415 7.336 1.412 782 HG13 ILE 100 1HG1 ILE 100 -8.282 5.623 1.031 783 HG21 ILE 100 1HG2 ILE 100 -5.112 5.670 2.509 784 HG22 ILE 100 2HG2 ILE 100 -4.715 5.373 0.817 785 HG23 ILE 100 3HG2 ILE 100 -6.109 4.578 1.548 786 HD11 ILE 100 3HD1 ILE 100 -7.235 5.339 3.310 787 HD12 ILE 100 1HD1 ILE 100 -8.951 5.743 3.275 788 HD13 ILE 100 2HD1 ILE 100 -7.759 6.989 3.647 789 H LYS 101 H LYS 101 -4.989 8.509 -0.644 790 HA LYS 101 HA LYS 101 -2.345 7.662 -0.484 791 HB2 LYS 101 2HB LYS 101 -3.624 8.189 -2.575 792 HB3 LYS 101 1HB LYS 101 -3.377 9.895 -2.233 793 HG2 LYS 101 2HG LYS 101 -0.856 9.204 -2.150 794 HG3 LYS 101 1HG LYS 101 -1.418 7.832 -3.107 795 HD2 LYS 101 2HD LYS 101 -1.025 9.247 -4.829 796 HD3 LYS 101 1HD LYS 101 -2.638 9.835 -4.420 797 HE2 LYS 101 2HE LYS 101 -0.418 11.043 -2.906 798 HE3 LYS 101 1HE LYS 101 -0.450 11.412 -4.630 799 HZ1 LYS 101 3HZ LYS 101 -1.787 12.822 -2.856 800 HZ2 LYS 101 1HZ LYS 101 -2.967 11.651 -3.173 801 HZ3 LYS 101 2HZ LYS 101 -2.353 12.596 -4.434 802 H MET 102 H MET 102 -3.759 10.804 0.284 803 HA MET 102 HA MET 102 -1.176 12.005 0.736 804 HB2 MET 102 2HB MET 102 -3.933 13.074 1.340 805 HB3 MET 102 1HB MET 102 -2.440 13.999 1.384 806 HG2 MET 102 2HG MET 102 -2.149 13.766 -0.978 807 HG3 MET 102 1HG MET 102 -3.509 12.649 -1.081 808 HE1 MET 102 3HE MET 102 -2.597 15.892 0.577 809 HE2 MET 102 1HE MET 102 -4.198 15.908 1.316 810 HE3 MET 102 2HE MET 102 -3.800 17.069 0.049 811 H THR 103 H THR 103 -3.613 10.441 2.632 812 HA THR 103 HA THR 103 -2.548 11.415 5.141 813 HB THR 103 HB THR 103 -4.724 9.423 4.495 814 HG1 THR 103 1HG THR 103 -5.175 11.653 4.142 815 HG21 THR 103 3HG2 THR 103 -4.716 8.689 6.576 816 HG22 THR 103 1HG2 THR 103 -4.991 10.337 7.139 817 HG23 THR 103 2HG2 THR 103 -3.345 9.727 6.968 818 H LEU 104 H LEU 104 -2.449 8.443 3.243 819 HA LEU 104 HA LEU 104 -1.232 6.827 5.195 820 HB2 LEU 104 2HB LEU 104 -1.691 6.703 2.301 821 HB3 LEU 104 1HB LEU 104 -0.241 5.864 2.820 822 HG LEU 104 HG LEU 104 -1.490 4.413 4.255 823 HD11 LEU 104 1HD1 LEU 104 -3.184 5.478 5.307 824 HD12 LEU 104 2HD1 LEU 104 -4.130 4.769 3.998 825 HD13 LEU 104 3HD1 LEU 104 -3.600 6.448 3.893 826 HD21 LEU 104 3HD2 LEU 104 -1.449 3.860 1.853 827 HD22 LEU 104 1HD2 LEU 104 -2.987 4.699 1.654 828 HD23 LEU 104 2HD2 LEU 104 -2.894 3.257 2.664 829 H GLN 105 H GLN 105 0.241 8.570 2.452 830 HA GLN 105 HA GLN 105 2.903 8.091 3.050 831 HB2 GLN 105 2HB GLN 105 3.378 10.219 1.836 832 HB3 GLN 105 1HB GLN 105 2.300 9.133 0.969 833 HG2 GLN 105 2HG GLN 105 0.386 10.486 1.898 834 HG3 GLN 105 1HG GLN 105 1.592 11.653 2.438 835 HE21 GLN 105 1HE2 GLN 105 1.109 9.742 -0.512 836 HE22 GLN 105 2HE2 GLN 105 1.204 11.088 -1.602 837 H GLN 106 H GLN 106 0.635 10.232 4.571 838 HA GLN 106 HA GLN 106 2.434 11.935 5.898 839 HB2 GLN 106 2HB GLN 106 -0.390 11.418 5.935 840 HB3 GLN 106 1HB GLN 106 0.201 11.538 7.588 841 HG2 GLN 106 2HG GLN 106 0.882 13.732 7.320 842 HG3 GLN 106 1HG GLN 106 0.950 13.601 5.564 843 HE21 GLN 106 1HE2 GLN 106 -0.979 13.669 4.373 844 HE22 GLN 106 2HE2 GLN 106 -2.431 14.347 5.042 845 H ILE 107 H ILE 107 1.234 8.751 6.588 846 HA ILE 107 HA ILE 107 2.438 8.612 9.212 847 HB ILE 107 HB ILE 107 1.149 6.500 7.474 848 HG12 ILE 107 2HG1 ILE 107 -0.324 6.776 9.792 849 HG13 ILE 107 1HG1 ILE 107 0.176 8.428 9.452 850 HG21 ILE 107 1HG2 ILE 107 2.227 6.283 10.279 851 HG22 ILE 107 2HG2 ILE 107 2.783 5.413 8.849 852 HG23 ILE 107 3HG2 ILE 107 1.182 5.086 9.512 853 HD11 ILE 107 3HD1 ILE 107 -0.660 7.509 7.001 854 HD12 ILE 107 1HD1 ILE 107 -1.588 8.520 8.110 855 HD13 ILE 107 2HD1 ILE 107 -1.796 6.769 8.130 856 H ILE 108 H ILE 108 3.104 7.583 5.948 857 HA ILE 108 HA ILE 108 5.226 5.831 6.297 858 HB ILE 108 HB ILE 108 4.985 7.884 4.097 859 HG12 ILE 108 2HG1 ILE 108 2.883 6.673 4.360 860 HG13 ILE 108 1HG1 ILE 108 3.691 6.212 2.870 861 HG21 ILE 108 1HG2 ILE 108 6.252 5.155 4.089 862 HG22 ILE 108 2HG2 ILE 108 7.119 6.689 4.171 863 HG23 ILE 108 3HG2 ILE 108 6.173 6.285 2.737 864 HD11 ILE 108 3HD1 ILE 108 2.654 4.342 4.134 865 HD12 ILE 108 1HD1 ILE 108 3.841 4.617 5.407 866 HD13 ILE 108 2HD1 ILE 108 4.373 4.137 3.796 867 H SER 109 H SER 109 5.417 9.298 5.564 868 HA SER 109 HA SER 109 8.124 9.676 5.777 869 HB2 SER 109 2HB SER 109 5.764 11.439 6.193 870 HB3 SER 109 1HB SER 109 7.339 12.043 6.709 871 HG SER 109 HG SER 109 6.447 11.368 4.132 872 H ARG 110 H ARG 110 5.871 9.150 8.345 873 HA ARG 110 HA ARG 110 7.269 10.240 10.502 874 HB2 ARG 110 2HB ARG 110 5.619 7.712 10.577 875 HB3 ARG 110 1HB ARG 110 5.964 8.793 11.919 876 HG2 ARG 110 2HG ARG 110 4.713 10.578 10.699 877 HG3 ARG 110 1HG ARG 110 4.238 9.351 9.521 878 HD2 ARG 110 2HD ARG 110 2.469 9.598 11.123 879 HD3 ARG 110 1HD ARG 110 3.243 8.034 11.379 880 HE ARG 110 HE ARG 110 3.920 8.744 13.450 881 HH11 ARG 110 1HH1 ARG 110 2.853 11.502 11.597 882 HH12 ARG 110 2HH1 ARG 110 2.918 12.589 12.944 883 HH21 ARG 110 1HH2 ARG 110 4.005 10.171 15.223 884 HH22 ARG 110 2HH2 ARG 110 3.573 11.835 15.001 885 H TYR 111 H TYR 111 7.798 7.316 8.693 886 HA TYR 111 HA TYR 111 9.764 6.359 10.633 887 HB2 TYR 111 2HB TYR 111 9.172 4.960 8.050 888 HB3 TYR 111 1HB TYR 111 9.647 4.277 9.602 889 HD1 TYR 111 2HD TYR 111 7.855 4.730 11.543 890 HD2 TYR 111 1HD TYR 111 6.992 4.647 7.378 891 HE1 TYR 111 2HE TYR 111 5.499 4.236 12.047 892 HE2 TYR 111 1HE TYR 111 4.634 4.155 7.870 893 HH TYR 111 HH TYR 111 3.552 3.116 10.833 894 H LYS 112 H LYS 112 9.552 7.276 7.208 895 HA LYS 112 HA LYS 112 12.258 6.925 6.573 896 HB2 LYS 112 2HB LYS 112 10.520 9.058 5.349 897 HB3 LYS 112 1HB LYS 112 11.823 8.150 4.596 898 HG2 LYS 112 2HG LYS 112 10.161 6.135 5.232 899 HG3 LYS 112 1HG LYS 112 8.995 7.437 4.991 900 HD2 LYS 112 2HD LYS 112 11.114 6.574 3.021 901 HD3 LYS 112 1HD LYS 112 9.394 6.190 2.921 902 HE2 LYS 112 2HE LYS 112 10.479 8.999 2.971 903 HE3 LYS 112 1HE LYS 112 10.150 8.108 1.485 904 HZ1 LYS 112 3HZ LYS 112 8.024 8.338 3.494 905 HZ2 LYS 112 1HZ LYS 112 7.906 8.212 1.811 906 HZ3 LYS 112 2HZ LYS 112 8.363 9.677 2.520 907 H ASP 113 H ASP 113 10.552 9.972 7.313 908 HA ASP 113 HA ASP 113 12.834 11.583 7.431 909 HB2 ASP 113 2HB ASP 113 10.218 12.117 7.500 910 HB3 ASP 113 1HB ASP 113 10.547 12.225 9.226 911 H ALA 114 H ALA 114 11.370 9.488 9.811 912 HA ALA 114 HA ALA 114 12.870 10.512 12.031 913 HB1 ALA 114 1HB ALA 114 12.056 8.319 13.099 914 HB2 ALA 114 2HB ALA 114 11.115 8.117 11.621 915 HB3 ALA 114 3HB ALA 114 10.851 9.526 12.648 916 H ASP 115 H ASP 115 13.249 7.910 9.706 917 HA ASP 115 HA ASP 115 15.522 6.771 11.075 918 HB2 ASP 115 2HB ASP 115 13.772 5.586 9.523 919 HB3 ASP 115 1HB ASP 115 14.826 6.144 8.228 920 H TYR 90 1HT TYR 90 4.087 -2.939 -17.235 921 HA TYR 90 HA TYR 90 2.727 -1.657 -18.827 922 HB2 TYR 90 2HB TYR 90 2.393 -4.440 -19.806 923 HB3 TYR 90 1HB TYR 90 0.947 -3.436 -19.790 924 HD1 TYR 90 1HD TYR 90 4.520 -3.267 -20.876 925 HD2 TYR 90 2HD TYR 90 0.487 -2.170 -21.665 926 HE1 TYR 90 1HE TYR 90 5.221 -2.238 -22.997 927 HE2 TYR 90 2HE TYR 90 1.176 -1.139 -23.788 928 HH TYR 90 HH TYR 90 2.973 -1.233 -25.384 929 H ASP 91 H ASP 91 2.029 -4.664 -17.076 930 HA ASP 91 HA ASP 91 -0.449 -3.715 -16.011 931 HB2 ASP 91 2HB ASP 91 1.296 -6.050 -15.202 932 HB3 ASP 91 1HB ASP 91 -0.320 -5.743 -14.572 933 H SER 92 H SER 92 2.805 -4.183 -14.657 934 HA SER 92 HA SER 92 2.043 -2.905 -12.171 935 HB2 SER 92 2HB SER 92 3.790 -4.856 -12.606 936 HB3 SER 92 1HB SER 92 4.894 -3.499 -12.835 937 HG SER 92 HG SER 92 4.186 -4.540 -10.569 938 H GLU 93 H GLU 93 3.742 -2.106 -15.116 939 HA GLU 93 HA GLU 93 5.083 0.202 -14.275 940 HB2 GLU 93 2HB GLU 93 3.921 -0.472 -16.983 941 HB3 GLU 93 1HB GLU 93 5.033 0.855 -16.677 942 HG2 GLU 93 2HG GLU 93 6.754 -0.704 -15.995 943 HG3 GLU 93 1HG GLU 93 5.639 -2.054 -16.200 944 H GLU 94 H GLU 94 1.744 -0.343 -15.147 945 HA GLU 94 HA GLU 94 0.971 2.339 -15.530 946 HB2 GLU 94 2HB GLU 94 -0.272 -0.032 -15.851 947 HB3 GLU 94 1HB GLU 94 -1.001 0.478 -14.334 948 HG2 GLU 94 2HG GLU 94 -1.507 2.679 -15.519 949 HG3 GLU 94 1HG GLU 94 -1.121 1.820 -17.009 950 H PHE 95 H PHE 95 1.407 0.392 -12.663 951 HA PHE 95 HA PHE 95 0.183 2.387 -10.944 952 HB2 PHE 95 2HB PHE 95 0.638 -0.384 -10.757 953 HB3 PHE 95 1HB PHE 95 1.647 0.350 -9.515 954 HD1 PHE 95 1HD PHE 95 0.261 2.434 -8.333 955 HD2 PHE 95 2HD PHE 95 -1.368 -1.139 -9.975 956 HE1 PHE 95 1HE PHE 95 -1.705 2.663 -6.872 957 HE2 PHE 95 2HE PHE 95 -3.338 -0.915 -8.518 958 HZ PHE 95 HZ PHE 95 -3.508 0.988 -6.964 959 H GLU 96 H GLU 96 1.241 3.854 -9.727 960 HA GLU 96 HA GLU 96 4.183 3.876 -9.910 961 HB2 GLU 96 2HB GLU 96 2.153 6.078 -9.958 962 HB3 GLU 96 1HB GLU 96 3.778 6.407 -9.373 963 HG2 GLU 96 2HG GLU 96 3.076 5.306 -12.085 964 HG3 GLU 96 1HG GLU 96 3.526 6.973 -11.730 965 H ASP 97 H ASP 97 5.373 4.594 -8.081 966 HA ASP 97 HA ASP 97 4.134 3.828 -5.574 967 HB2 ASP 97 2HB ASP 97 6.975 4.602 -6.262 968 HB3 ASP 97 1HB ASP 97 6.445 4.097 -4.660 969 H VAL 98 H VAL 98 4.473 5.148 -3.613 970 HA VAL 98 HA VAL 98 4.588 8.034 -4.147 971 HB VAL 98 HB VAL 98 2.529 6.840 -2.298 972 HG11 VAL 98 1HG1 VAL 98 2.605 8.992 -1.626 973 HG12 VAL 98 2HG1 VAL 98 1.580 9.245 -3.039 974 HG13 VAL 98 3HG1 VAL 98 3.314 9.553 -3.140 975 HG21 VAL 98 3HG2 VAL 98 2.466 7.188 -5.223 976 HG22 VAL 98 1HG2 VAL 98 1.059 7.794 -4.350 977 HG23 VAL 98 2HG2 VAL 98 1.538 6.104 -4.186 978 H THR 99 H THR 99 6.361 8.619 -3.054 979 HA THR 99 HA THR 99 6.430 8.130 -0.184 980 HB THR 99 HB THR 99 9.042 7.715 -0.659 981 HG1 THR 99 1HG THR 99 9.147 7.506 -2.782 982 HG21 THR 99 3HG2 THR 99 7.051 6.192 0.357 983 HG22 THR 99 1HG2 THR 99 8.726 5.672 0.182 984 HG23 THR 99 2HG2 THR 99 7.536 5.238 -1.046 985 H ASP 100 H ASP 100 7.166 9.845 0.930 986 HA ASP 100 HA ASP 100 7.975 11.915 1.402 987 HB2 ASP 100 2HB ASP 100 9.759 10.949 -0.744 988 HB3 ASP 100 1HB ASP 100 9.734 12.696 -0.521 989 H GLY 101 H GLY 101 8.210 12.161 -2.134 990 HA2 GLY 101 2HA GLY 101 5.747 13.583 -2.416 991 HA3 GLY 101 1HA GLY 101 7.120 14.678 -2.379 992 H ASN 102 H ASN 102 6.779 15.343 -4.512 993 HA ASN 102 HA ASN 102 7.085 15.322 -6.765 994 HB2 ASN 102 2HB ASN 102 9.249 14.062 -5.759 995 HB3 ASN 102 1HB ASN 102 8.594 12.770 -6.761 996 HD21 ASN 102 1HD2 ASN 102 11.057 14.247 -7.087 997 HD22 ASN 102 2HD2 ASN 102 10.975 15.002 -8.639 998 H GLU 103 H GLU 103 4.886 14.902 -7.185 999 HA GLU 103 HA GLU 103 4.360 12.157 -8.118 1000 HB2 GLU 103 2HB GLU 103 3.115 13.145 -5.979 1001 HB3 GLU 103 1HB GLU 103 2.087 13.857 -7.215 1002 HG2 GLU 103 2HG GLU 103 0.972 11.914 -6.866 1003 HG3 GLU 103 1HG GLU 103 2.073 11.393 -8.141 1004 H VAL 104 H VAL 104 5.016 12.798 -10.221 1005 HA VAL 104 HA VAL 104 3.481 14.885 -11.551 1006 HB VAL 104 HB VAL 104 5.612 13.114 -12.748 1007 HG11 VAL 104 1HG1 VAL 104 3.857 14.697 -14.039 1008 HG12 VAL 104 2HG1 VAL 104 5.495 14.378 -14.612 1009 HG13 VAL 104 3HG1 VAL 104 5.145 15.857 -13.717 1010 HG21 VAL 104 3HG2 VAL 104 6.010 15.890 -11.655 1011 HG22 VAL 104 1HG2 VAL 104 7.237 14.761 -12.229 1012 HG23 VAL 104 2HG2 VAL 104 6.365 14.430 -10.731 Start of MODEL 6 1 H2 PRO 1 1HT PRO 1 -11.974 10.597 7.068 2 H3 PRO 1 2HT PRO 1 -13.050 9.486 6.510 3 HA PRO 1 HA PRO 1 -13.193 10.321 4.623 4 HB2 PRO 1 2HB PRO 1 -12.990 13.120 4.812 5 HB3 PRO 1 1HB PRO 1 -14.467 12.172 4.591 6 HG2 PRO 1 2HG PRO 1 -13.276 13.267 7.088 7 HG3 PRO 1 1HG PRO 1 -14.981 13.055 6.653 8 HD2 PRO 1 2HD PRO 1 -13.810 11.407 8.391 9 HD3 PRO 1 1HD PRO 1 -14.964 10.785 7.196 10 H SER 2 H SER 2 -11.104 12.330 6.624 11 HA SER 2 HA SER 2 -9.118 12.613 4.569 12 HB2 SER 2 2HB SER 2 -9.737 14.117 6.727 13 HB3 SER 2 1HB SER 2 -8.377 13.201 7.378 14 HG SER 2 HG SER 2 -8.324 15.285 5.727 15 H HIS 3 H HIS 3 -9.104 11.058 7.781 16 HA HIS 3 HA HIS 3 -6.800 9.456 6.951 17 HB2 HIS 3 2HB HIS 3 -7.982 10.223 9.587 18 HB3 HIS 3 1HB HIS 3 -7.033 8.743 9.484 19 HD1 HIS 3 1HD HIS 3 -6.580 12.373 8.406 20 HD2 HIS 3 2HD HIS 3 -4.431 9.200 10.012 21 HE1 HIS 3 1HE HIS 3 -4.266 13.267 8.815 22 HE2 HIS 3 2HE HIS 3 -2.961 11.307 9.711 23 H SER 4 H SER 4 -9.269 8.844 5.749 24 HA SER 4 HA SER 4 -9.376 6.077 6.058 25 HB2 SER 4 2HB SER 4 -11.651 5.851 7.101 26 HB3 SER 4 1HB SER 4 -10.401 6.413 8.211 27 HG SER 4 HG SER 4 -11.896 7.883 8.576 28 H GLY 5 H GLY 5 -10.302 5.218 4.288 29 HA2 GLY 5 2HA GLY 5 -12.405 6.705 2.897 30 HA3 GLY 5 1HA GLY 5 -10.923 6.370 2.010 31 H ALA 6 H ALA 6 -13.607 5.426 1.404 32 HA ALA 6 HA ALA 6 -13.823 2.700 2.199 33 HB1 ALA 6 1HB ALA 6 -15.857 3.609 1.606 34 HB2 ALA 6 2HB ALA 6 -15.449 2.663 0.174 35 HB3 ALA 6 3HB ALA 6 -15.204 4.411 0.177 36 H ALA 7 H ALA 7 -12.240 1.339 1.690 37 HA ALA 7 HA ALA 7 -11.233 1.332 -1.081 38 HB1 ALA 7 1HB ALA 7 -9.628 1.766 0.876 39 HB2 ALA 7 2HB ALA 7 -9.161 0.555 -0.319 40 HB3 ALA 7 3HB ALA 7 -9.821 0.049 1.235 41 H ILE 8 H ILE 8 -10.867 -0.700 -2.112 42 HA ILE 8 HA ILE 8 -12.764 -2.743 -1.238 43 HB ILE 8 HB ILE 8 -11.506 -2.097 -3.874 44 HG12 ILE 8 2HG1 ILE 8 -14.233 -2.835 -4.048 45 HG13 ILE 8 1HG1 ILE 8 -14.068 -1.816 -2.622 46 HG21 ILE 8 1HG2 ILE 8 -11.140 -4.454 -3.754 47 HG22 ILE 8 2HG2 ILE 8 -12.536 -4.172 -4.794 48 HG23 ILE 8 3HG2 ILE 8 -12.770 -4.729 -3.137 49 HD11 ILE 8 3HD1 ILE 8 -12.959 -1.041 -5.282 50 HD12 ILE 8 1HD1 ILE 8 -13.234 -0.030 -3.864 51 HD13 ILE 8 2HD1 ILE 8 -14.605 -0.658 -4.777 52 H PHE 9 H PHE 9 -12.215 -4.901 -0.951 53 HA PHE 9 HA PHE 9 -9.441 -5.718 -1.234 54 HB2 PHE 9 2HB PHE 9 -9.838 -4.658 1.097 55 HB3 PHE 9 1HB PHE 9 -10.749 -6.124 1.443 56 HD1 PHE 9 1HD PHE 9 -7.525 -5.425 -0.305 57 HD2 PHE 9 2HD PHE 9 -9.554 -7.552 2.773 58 HE1 PHE 9 1HE PHE 9 -5.432 -6.586 0.265 59 HE2 PHE 9 2HE PHE 9 -7.464 -8.715 3.350 60 HZ PHE 9 HZ PHE 9 -5.400 -8.234 2.096 61 H GLU 10 H GLU 10 -9.439 -7.685 -2.096 62 HA GLU 10 HA GLU 10 -10.019 -9.824 -2.616 63 HB2 GLU 10 2HB GLU 10 -11.086 -9.451 0.055 64 HB3 GLU 10 1HB GLU 10 -12.099 -10.538 -0.885 65 HG2 GLU 10 2HG GLU 10 -10.358 -12.065 -1.208 66 HG3 GLU 10 1HG GLU 10 -9.130 -10.895 -0.729 67 H LYS 11 H LYS 11 -11.336 -7.520 -3.757 68 HA LYS 11 HA LYS 11 -12.851 -7.243 -5.445 69 HB2 LYS 11 2HB LYS 11 -14.234 -9.794 -4.639 70 HB3 LYS 11 1HB LYS 11 -14.272 -8.980 -6.197 71 HG2 LYS 11 2HG LYS 11 -12.392 -9.966 -6.897 72 HG3 LYS 11 1HG LYS 11 -11.592 -9.776 -5.337 73 HD2 LYS 11 2HD LYS 11 -12.481 -11.755 -4.500 74 HD3 LYS 11 1HD LYS 11 -13.790 -11.780 -5.683 75 HE2 LYS 11 2HE LYS 11 -12.054 -13.484 -6.123 76 HE3 LYS 11 1HE LYS 11 -12.250 -12.339 -7.448 77 HZ1 LYS 11 3HZ LYS 11 -10.260 -11.281 -6.927 78 HZ2 LYS 11 1HZ LYS 11 -9.896 -12.921 -6.721 79 HZ3 LYS 11 2HZ LYS 11 -10.185 -11.942 -5.372 80 H VAL 12 H VAL 12 -13.504 -7.407 -2.182 81 HA VAL 12 HA VAL 12 -16.249 -6.433 -2.534 82 HB VAL 12 HB VAL 12 -15.915 -8.338 -0.983 83 HG11 VAL 12 1HG1 VAL 12 -14.013 -8.242 0.201 84 HG12 VAL 12 2HG1 VAL 12 -15.026 -7.378 1.355 85 HG13 VAL 12 3HG1 VAL 12 -13.997 -6.480 0.242 86 HG21 VAL 12 3HG2 VAL 12 -16.823 -6.482 0.995 87 HG22 VAL 12 1HG2 VAL 12 -17.759 -7.614 0.017 88 HG23 VAL 12 2HG2 VAL 12 -17.421 -5.994 -0.592 89 H SER 13 H SER 13 -16.881 -4.448 -1.716 90 HA SER 13 HA SER 13 -14.681 -2.599 -1.265 91 HB2 SER 13 2HB SER 13 -17.507 -1.661 -1.352 92 HB3 SER 13 1HB SER 13 -16.049 -0.908 -1.995 93 HG SER 13 HG SER 13 -17.749 -2.082 -3.429 94 H GLY 14 H GLY 14 -14.064 -2.091 0.696 95 HA2 GLY 14 2HA GLY 14 -16.067 -2.179 2.865 96 HA3 GLY 14 1HA GLY 14 -14.393 -2.669 3.083 97 H ILE 15 H ILE 15 -13.851 -1.203 4.643 98 HA ILE 15 HA ILE 15 -13.724 1.592 3.743 99 HB ILE 15 HB ILE 15 -14.244 0.874 6.614 100 HG12 ILE 15 2HG1 ILE 15 -16.089 0.079 5.062 101 HG13 ILE 15 1HG1 ILE 15 -16.579 1.201 6.326 102 HG21 ILE 15 1HG2 ILE 15 -14.231 3.392 4.997 103 HG22 ILE 15 2HG2 ILE 15 -13.401 3.033 6.518 104 HG23 ILE 15 3HG2 ILE 15 -15.149 3.292 6.500 105 HD11 ILE 15 3HD1 ILE 15 -16.748 2.988 4.773 106 HD12 ILE 15 1HD1 ILE 15 -17.589 1.598 4.081 107 HD13 ILE 15 2HD1 ILE 15 -15.980 2.035 3.503 108 H ILE 16 H ILE 16 -11.703 2.261 3.706 109 HA ILE 16 HA ILE 16 -9.714 0.858 5.319 110 HB ILE 16 HB ILE 16 -9.694 2.193 2.731 111 HG12 ILE 16 2HG1 ILE 16 -7.808 0.302 4.143 112 HG13 ILE 16 1HG1 ILE 16 -9.097 -0.136 3.030 113 HG21 ILE 16 1HG2 ILE 16 -8.539 3.972 3.971 114 HG22 ILE 16 2HG2 ILE 16 -7.498 3.167 2.799 115 HG23 ILE 16 3HG2 ILE 16 -7.346 2.790 4.517 116 HD11 ILE 16 3HD1 ILE 16 -7.384 1.690 1.705 117 HD12 ILE 16 1HD1 ILE 16 -7.679 -0.011 1.343 118 HD13 ILE 16 2HD1 ILE 16 -6.391 0.443 2.459 119 H ALA 17 H ALA 17 -9.016 1.710 7.154 120 HA ALA 17 HA ALA 17 -9.075 4.625 7.476 121 HB1 ALA 17 1HB ALA 17 -11.143 3.493 8.432 122 HB2 ALA 17 2HB ALA 17 -10.239 4.560 9.513 123 HB3 ALA 17 3HB ALA 17 -10.064 2.809 9.654 124 H ILE 18 H ILE 18 -7.329 5.445 8.429 125 HA ILE 18 HA ILE 18 -5.228 3.627 9.274 126 HB ILE 18 HB ILE 18 -5.136 6.641 9.137 127 HG12 ILE 18 2HG1 ILE 18 -3.787 5.978 6.966 128 HG13 ILE 18 1HG1 ILE 18 -4.800 4.539 7.036 129 HG21 ILE 18 1HG2 ILE 18 -2.816 6.470 9.295 130 HG22 ILE 18 2HG2 ILE 18 -2.822 4.750 8.906 131 HG23 ILE 18 3HG2 ILE 18 -3.407 5.300 10.476 132 HD11 ILE 18 3HD1 ILE 18 -6.704 5.691 6.549 133 HD12 ILE 18 1HD1 ILE 18 -5.519 6.658 5.670 134 HD13 ILE 18 2HD1 ILE 18 -6.105 7.197 7.244 135 H ASN 19 H ASN 19 -5.051 3.013 11.320 136 HA ASN 19 HA ASN 19 -6.363 4.483 13.436 137 HB2 ASN 19 2HB ASN 19 -5.819 1.818 13.039 138 HB3 ASN 19 1HB ASN 19 -4.606 2.274 14.232 139 HD21 ASN 19 1HD2 ASN 19 -5.196 2.513 16.294 140 HD22 ASN 19 2HD2 ASN 19 -6.820 2.413 16.877 141 H GLU 20 H GLU 20 -5.357 6.323 13.995 142 HA GLU 20 HA GLU 20 -2.455 6.379 14.228 143 HB2 GLU 20 2HB GLU 20 -4.554 8.535 14.494 144 HB3 GLU 20 1HB GLU 20 -2.835 8.815 14.735 145 HG2 GLU 20 2HG GLU 20 -3.521 7.498 12.208 146 HG3 GLU 20 1HG GLU 20 -4.147 9.136 12.387 147 H ASP 21 H ASP 21 -4.484 5.017 16.134 148 HA ASP 21 HA ASP 21 -3.936 6.396 18.628 149 HB2 ASP 21 2HB ASP 21 -6.061 4.928 17.844 150 HB3 ASP 21 1HB ASP 21 -5.123 3.677 18.654 151 H VAL 22 H VAL 22 -2.548 3.982 16.674 152 HA VAL 22 HA VAL 22 -1.142 2.627 18.815 153 HB VAL 22 HB VAL 22 -0.022 1.403 16.954 154 HG11 VAL 22 1HG1 VAL 22 -2.201 0.397 16.039 155 HG12 VAL 22 2HG1 VAL 22 -3.011 1.536 17.114 156 HG13 VAL 22 3HG1 VAL 22 -1.916 0.324 17.777 157 HG21 VAL 22 3HG2 VAL 22 -0.440 1.832 14.716 158 HG22 VAL 22 1HG2 VAL 22 -0.331 3.453 15.403 159 HG23 VAL 22 2HG2 VAL 22 -1.910 2.746 15.064 160 H SER 23 H SER 23 1.385 2.281 17.636 161 HA SER 23 HA SER 23 2.522 4.924 18.142 162 HB2 SER 23 2HB SER 23 3.347 2.208 18.705 163 HB3 SER 23 1HB SER 23 4.622 3.085 17.859 164 HG SER 23 HG SER 23 3.571 3.472 20.392 165 HA PRO 24 HA PRO 24 4.445 3.984 13.925 166 HB2 PRO 24 2HB PRO 24 3.895 1.451 12.858 167 HB3 PRO 24 1HB PRO 24 5.383 1.945 13.661 168 HG2 PRO 24 2HG PRO 24 3.521 0.054 14.592 169 HG3 PRO 24 1HG PRO 24 4.853 0.765 15.518 170 HD2 PRO 24 2HD PRO 24 1.959 1.466 15.511 171 HD3 PRO 24 1HD PRO 24 3.144 1.557 16.830 172 H ALA 25 H ALA 25 1.361 3.787 14.589 173 HA ALA 25 HA ALA 25 -0.611 4.189 13.528 174 HB1 ALA 25 1HB ALA 25 1.296 5.803 12.338 175 HB2 ALA 25 2HB ALA 25 -0.456 5.963 12.196 176 HB3 ALA 25 3HB ALA 25 0.449 5.062 10.980 177 H GLU 26 H GLU 26 -1.932 2.672 12.778 178 HA GLU 26 HA GLU 26 -0.905 0.822 10.730 179 HB2 GLU 26 2HB GLU 26 -2.552 -0.796 11.597 180 HB3 GLU 26 1HB GLU 26 -1.397 -0.290 12.822 181 HG2 GLU 26 2HG GLU 26 -3.012 1.147 13.843 182 HG3 GLU 26 1HG GLU 26 -4.159 0.862 12.535 183 H LEU 27 H LEU 27 -2.724 -0.255 9.488 184 HA LEU 27 HA LEU 27 -4.759 1.698 8.642 185 HB2 LEU 27 2HB LEU 27 -2.756 1.455 7.094 186 HB3 LEU 27 1HB LEU 27 -3.272 -0.193 6.817 187 HG LEU 27 HG LEU 27 -5.402 1.746 6.342 188 HD11 LEU 27 1HD1 LEU 27 -3.594 3.189 5.653 189 HD12 LEU 27 2HD1 LEU 27 -4.435 2.584 4.227 190 HD13 LEU 27 3HD1 LEU 27 -2.880 1.892 4.691 191 HD21 LEU 27 3HD2 LEU 27 -5.130 0.435 4.050 192 HD22 LEU 27 1HD2 LEU 27 -5.903 -0.291 5.459 193 HD23 LEU 27 2HD2 LEU 27 -4.220 -0.672 5.084 194 H THR 28 H THR 28 -6.658 0.817 9.280 195 HA THR 28 HA THR 28 -6.964 -2.102 9.060 196 HB THR 28 HB THR 28 -8.601 -0.204 10.740 197 HG1 THR 28 1HG THR 28 -6.398 -1.831 11.475 198 HG21 THR 28 3HG2 THR 28 -8.439 -3.187 10.578 199 HG22 THR 28 1HG2 THR 28 -9.862 -2.145 10.537 200 HG23 THR 28 2HG2 THR 28 -8.974 -2.366 12.045 201 H TRP 29 H TRP 29 -8.236 -2.880 7.539 202 HA TRP 29 HA TRP 29 -10.098 -1.128 6.160 203 HB2 TRP 29 2HB TRP 29 -8.621 -2.450 4.757 204 HB3 TRP 29 1HB TRP 29 -9.143 -3.933 5.554 205 HD1 TRP 29 HD TRP 29 -10.608 -1.141 3.348 206 HE1 TRP 29 1HE TRP 29 -12.514 -2.147 1.917 207 HE3 TRP 29 3HE TRP 29 -10.670 -5.842 5.318 208 HZ2 TRP 29 2HZ TRP 29 -13.860 -4.625 1.684 209 HZ3 TRP 29 3HZ TRP 29 -12.298 -7.471 4.453 210 HH2 TRP 29 HH TRP 29 -13.855 -6.872 2.675 211 H ARG 30 H ARG 30 -12.064 -1.000 7.027 212 HA ARG 30 HA ARG 30 -13.263 -3.435 8.174 213 HB2 ARG 30 2HB ARG 30 -12.990 -1.399 9.658 214 HB3 ARG 30 1HB ARG 30 -14.164 -0.588 8.631 215 HG2 ARG 30 2HG ARG 30 -14.956 -3.217 9.722 216 HG3 ARG 30 1HG ARG 30 -14.825 -1.882 10.868 217 HD2 ARG 30 2HD ARG 30 -16.174 -0.810 8.682 218 HD3 ARG 30 1HD ARG 30 -16.859 -2.423 8.885 219 HE ARG 30 HE ARG 30 -17.834 -1.729 10.839 220 HH11 ARG 30 1HH1 ARG 30 -15.427 0.608 9.879 221 HH12 ARG 30 2HH1 ARG 30 -15.891 1.766 11.080 222 HH21 ARG 30 1HH2 ARG 30 -18.445 -0.208 12.420 223 HH22 ARG 30 2HH2 ARG 30 -17.604 1.302 12.523 224 H SER 31 H SER 31 -14.595 -4.423 6.795 225 HA SER 31 HA SER 31 -15.543 -3.504 4.405 226 HB2 SER 31 2HB SER 31 -17.484 -5.187 4.813 227 HB3 SER 31 1HB SER 31 -15.831 -5.792 4.742 228 HG SER 31 HG SER 31 -17.068 -5.065 7.179 229 H THR 32 H THR 32 -17.883 -3.127 3.785 230 HA THR 32 HA THR 32 -18.817 -0.804 5.142 231 HB THR 32 HB THR 32 -20.771 -1.862 3.346 232 HG1 THR 32 1HG THR 32 -19.392 -3.021 2.202 233 HG21 THR 32 3HG2 THR 32 -20.332 0.105 2.040 234 HG22 THR 32 1HG2 THR 32 -18.822 0.381 2.908 235 HG23 THR 32 2HG2 THR 32 -20.363 0.528 3.752 236 H ASP 33 H ASP 33 -19.844 -4.115 4.812 237 HA ASP 33 HA ASP 33 -22.190 -3.774 6.405 238 HB2 ASP 33 2HB ASP 33 -21.591 -5.566 4.524 239 HB3 ASP 33 1HB ASP 33 -21.078 -6.486 5.937 240 H GLY 34 H GLY 34 -19.045 -5.282 6.853 241 HA2 GLY 34 2HA GLY 34 -17.907 -5.002 8.985 242 HA3 GLY 34 1HA GLY 34 -19.477 -5.110 9.768 243 H ASP 35 H ASP 35 -18.713 -7.246 7.149 244 HA ASP 35 HA ASP 35 -18.748 -9.489 9.024 245 HB2 ASP 35 2HB ASP 35 -19.177 -10.879 7.024 246 HB3 ASP 35 1HB ASP 35 -20.371 -9.598 7.212 247 H LYS 36 H LYS 36 -16.616 -7.729 7.004 248 HA LYS 36 HA LYS 36 -14.506 -9.683 7.584 249 HB2 LYS 36 2HB LYS 36 -13.552 -9.074 5.266 250 HB3 LYS 36 1HB LYS 36 -14.881 -10.221 5.346 251 HG2 LYS 36 2HG LYS 36 -16.321 -8.026 5.030 252 HG3 LYS 36 1HG LYS 36 -14.823 -7.450 4.297 253 HD2 LYS 36 2HD LYS 36 -16.355 -9.930 3.516 254 HD3 LYS 36 1HD LYS 36 -16.292 -8.416 2.611 255 HE2 LYS 36 2HE LYS 36 -14.693 -9.602 1.492 256 HE3 LYS 36 1HE LYS 36 -13.693 -8.853 2.737 257 HZ1 LYS 36 3HZ LYS 36 -14.901 -11.474 3.274 258 HZ2 LYS 36 1HZ LYS 36 -13.455 -10.817 3.856 259 HZ3 LYS 36 2HZ LYS 36 -13.542 -11.396 2.271 260 H VAL 37 H VAL 37 -12.463 -8.844 7.911 261 HA VAL 37 HA VAL 37 -12.112 -5.953 7.709 262 HB VAL 37 HB VAL 37 -12.879 -7.030 10.108 263 HG11 VAL 37 1HG1 VAL 37 -9.919 -6.582 10.396 264 HG12 VAL 37 2HG1 VAL 37 -10.632 -8.185 10.214 265 HG13 VAL 37 3HG1 VAL 37 -11.058 -7.182 11.602 266 HG21 VAL 37 3HG2 VAL 37 -11.977 -4.884 11.073 267 HG22 VAL 37 1HG2 VAL 37 -13.028 -4.721 9.667 268 HG23 VAL 37 2HG2 VAL 37 -11.281 -4.564 9.484 269 H HIS 38 H HIS 38 -9.878 -5.273 7.919 270 HA HIS 38 HA HIS 38 -7.865 -7.382 7.765 271 HB2 HIS 38 2HB HIS 38 -8.822 -6.529 5.428 272 HB3 HIS 38 1HB HIS 38 -7.663 -5.235 5.708 273 HD1 HIS 38 1HD HIS 38 -7.419 -9.013 6.166 274 HD2 HIS 38 2HD HIS 38 -5.437 -5.859 4.323 275 HE1 HIS 38 1HE HIS 38 -5.384 -10.032 5.096 276 HE2 HIS 38 2HE HIS 38 -4.156 -8.091 4.060 277 H THR 39 H THR 39 -5.788 -6.723 8.347 278 HA THR 39 HA THR 39 -5.600 -3.974 9.392 279 HB THR 39 HB THR 39 -4.037 -6.224 10.597 280 HG1 THR 39 1HG THR 39 -6.703 -5.558 11.294 281 HG21 THR 39 3HG2 THR 39 -5.330 -4.045 12.142 282 HG22 THR 39 1HG2 THR 39 -3.898 -3.671 11.183 283 HG23 THR 39 2HG2 THR 39 -3.820 -4.906 12.440 284 H VAL 40 H VAL 40 -3.814 -2.816 8.934 285 HA VAL 40 HA VAL 40 -1.533 -4.142 7.653 286 HB VAL 40 HB VAL 40 -3.260 -2.045 6.455 287 HG11 VAL 40 1HG1 VAL 40 -1.361 -1.383 4.942 288 HG12 VAL 40 2HG1 VAL 40 -0.273 -2.147 6.103 289 HG13 VAL 40 3HG1 VAL 40 -1.259 -0.770 6.593 290 HG21 VAL 40 3HG2 VAL 40 -3.407 -4.269 5.602 291 HG22 VAL 40 1HG2 VAL 40 -1.652 -4.359 5.431 292 HG23 VAL 40 2HG2 VAL 40 -2.590 -3.272 4.395 293 H VAL 41 H VAL 41 0.321 -3.467 8.462 294 HA VAL 41 HA VAL 41 0.238 -1.025 10.077 295 HB VAL 41 HB VAL 41 2.242 -3.284 10.154 296 HG11 VAL 41 1HG1 VAL 41 3.536 -1.427 10.719 297 HG12 VAL 41 2HG1 VAL 41 2.966 -2.005 12.284 298 HG13 VAL 41 3HG1 VAL 41 2.193 -0.614 11.524 299 HG21 VAL 41 3HG2 VAL 41 0.338 -4.050 11.239 300 HG22 VAL 41 1HG2 VAL 41 -0.070 -2.449 11.861 301 HG23 VAL 41 2HG2 VAL 41 1.278 -3.351 12.559 302 H LEU 42 H LEU 42 0.897 0.744 9.123 303 HA LEU 42 HA LEU 42 2.309 0.879 6.725 304 HB2 LEU 42 2HB LEU 42 1.806 2.871 8.910 305 HB3 LEU 42 1HB LEU 42 2.762 3.293 7.503 306 HG LEU 42 HG LEU 42 0.514 4.054 7.160 307 HD11 LEU 42 1HD1 LEU 42 0.174 3.234 5.034 308 HD12 LEU 42 2HD1 LEU 42 0.592 1.583 5.488 309 HD13 LEU 42 3HD1 LEU 42 1.860 2.798 5.314 310 HD21 LEU 42 3HD2 LEU 42 -0.375 2.218 8.781 311 HD22 LEU 42 1HD2 LEU 42 -0.572 1.279 7.302 312 HD23 LEU 42 2HD2 LEU 42 -1.403 2.824 7.483 313 H SER 43 H SER 43 3.435 0.409 9.947 314 HA SER 43 HA SER 43 6.026 1.438 9.773 315 HB2 SER 43 2HB SER 43 4.558 0.041 11.675 316 HB3 SER 43 1HB SER 43 5.901 -1.038 11.300 317 HG SER 43 HG SER 43 6.274 1.706 11.875 318 H THR 44 H THR 44 4.700 -1.641 8.799 319 HA THR 44 HA THR 44 7.253 -2.694 7.969 320 HB THR 44 HB THR 44 6.175 -4.699 7.581 321 HG1 THR 44 1HG THR 44 3.836 -3.218 6.972 322 HG21 THR 44 3HG2 THR 44 5.654 -3.953 9.912 323 HG22 THR 44 1HG2 THR 44 4.540 -5.141 9.235 324 HG23 THR 44 2HG2 THR 44 4.073 -3.442 9.319 325 H ILE 45 H ILE 45 4.516 -1.117 6.554 326 HA ILE 45 HA ILE 45 4.928 -1.635 3.851 327 HB ILE 45 HB ILE 45 3.913 0.943 5.053 328 HG12 ILE 45 2HG1 ILE 45 2.741 -1.157 5.821 329 HG13 ILE 45 1HG1 ILE 45 1.714 0.004 4.995 330 HG21 ILE 45 1HG2 ILE 45 4.515 0.408 2.425 331 HG22 ILE 45 2HG2 ILE 45 3.409 1.654 3.001 332 HG23 ILE 45 3HG2 ILE 45 2.786 0.081 2.512 333 HD11 ILE 45 3HD1 ILE 45 2.718 -1.765 3.039 334 HD12 ILE 45 1HD1 ILE 45 1.058 -1.595 3.618 335 HD13 ILE 45 2HD1 ILE 45 2.157 -2.735 4.400 336 H ASP 46 H ASP 46 6.934 -1.498 3.006 337 HA ASP 46 HA ASP 46 8.790 0.558 3.704 338 HB2 ASP 46 2HB ASP 46 9.235 -1.861 2.834 339 HB3 ASP 46 1HB ASP 46 9.057 -1.134 1.240 340 H LYS 47 H LYS 47 6.330 0.213 1.281 341 HA LYS 47 HA LYS 47 6.869 2.917 0.372 342 HB2 LYS 47 2HB LYS 47 8.226 1.588 -1.152 343 HB3 LYS 47 1HB LYS 47 6.846 0.567 -1.528 344 HG2 LYS 47 2HG LYS 47 5.714 2.417 -2.588 345 HG3 LYS 47 1HG LYS 47 7.017 3.513 -2.125 346 HD2 LYS 47 2HD LYS 47 8.263 2.910 -3.877 347 HD3 LYS 47 1HD LYS 47 8.015 1.194 -3.551 348 HE2 LYS 47 2HE LYS 47 5.849 2.843 -4.797 349 HE3 LYS 47 1HE LYS 47 7.159 2.191 -5.780 350 HZ1 LYS 47 3HZ LYS 47 5.147 0.699 -4.202 351 HZ2 LYS 47 1HZ LYS 47 6.562 -0.029 -4.775 352 HZ3 LYS 47 2HZ LYS 47 5.442 0.617 -5.865 353 H LEU 48 H LEU 48 5.139 3.810 -0.931 354 HA LEU 48 HA LEU 48 2.562 2.452 -0.472 355 HB2 LEU 48 2HB LEU 48 3.370 4.848 0.587 356 HB3 LEU 48 1HB LEU 48 2.505 5.365 -0.847 357 HG LEU 48 HG LEU 48 0.741 3.574 0.217 358 HD11 LEU 48 1HD1 LEU 48 2.429 3.581 2.217 359 HD12 LEU 48 2HD1 LEU 48 0.690 3.615 2.510 360 HD13 LEU 48 3HD1 LEU 48 1.631 5.103 2.615 361 HD21 LEU 48 3HD2 LEU 48 -0.503 5.547 0.976 362 HD22 LEU 48 1HD2 LEU 48 0.205 5.794 -0.620 363 HD23 LEU 48 2HD2 LEU 48 0.953 6.527 0.799 364 H GLN 49 H GLN 49 0.891 2.838 -2.078 365 HA GLN 49 HA GLN 49 1.909 3.809 -4.662 366 HB2 GLN 49 2HB GLN 49 1.761 1.163 -4.207 367 HB3 GLN 49 1HB GLN 49 0.115 1.453 -4.753 368 HG2 GLN 49 2HG GLN 49 0.769 2.031 -6.870 369 HG3 GLN 49 1HG GLN 49 2.375 2.542 -6.352 370 HE21 GLN 49 1HE2 GLN 49 2.466 1.107 -8.486 371 HE22 GLN 49 2HE2 GLN 49 2.925 -0.541 -8.183 372 H ALA 50 H ALA 50 0.356 4.612 -6.096 373 HA ALA 50 HA ALA 50 -2.432 4.626 -5.430 374 HB1 ALA 50 1HB ALA 50 -2.546 7.140 -5.256 375 HB2 ALA 50 2HB ALA 50 -0.797 7.118 -5.027 376 HB3 ALA 50 3HB ALA 50 -1.849 6.306 -3.867 377 H THR 51 H THR 51 -3.619 4.882 -7.221 378 HA THR 51 HA THR 51 -2.239 5.375 -9.727 379 HB THR 51 HB THR 51 -4.539 4.854 -10.689 380 HG1 THR 51 1HG THR 51 -5.651 5.355 -8.694 381 HG21 THR 51 3HG2 THR 51 -3.219 3.003 -10.843 382 HG22 THR 51 1HG2 THR 51 -4.468 2.409 -9.748 383 HG23 THR 51 2HG2 THR 51 -2.913 2.938 -9.107 384 HA PRO 52 HA PRO 52 -3.166 9.807 -9.246 385 HB2 PRO 52 2HB PRO 52 -2.126 10.245 -11.811 386 HB3 PRO 52 1HB PRO 52 -1.237 10.387 -10.290 387 HG2 PRO 52 2HG PRO 52 -1.419 8.063 -12.166 388 HG3 PRO 52 1HG PRO 52 -0.001 8.699 -11.310 389 HD2 PRO 52 2HD PRO 52 -1.174 6.527 -10.429 390 HD3 PRO 52 1HD PRO 52 -0.715 7.790 -9.261 391 H ALA 53 H ALA 53 -4.437 11.315 -10.532 392 HA ALA 53 HA ALA 53 -6.848 10.268 -11.437 393 HB1 ALA 53 1HB ALA 53 -5.730 12.936 -12.263 394 HB2 ALA 53 2HB ALA 53 -6.409 12.616 -10.667 395 HB3 ALA 53 3HB ALA 53 -7.424 12.474 -12.102 396 H SER 54 H SER 54 -3.843 10.461 -13.081 397 HA SER 54 HA SER 54 -4.838 10.644 -15.740 398 HB2 SER 54 2HB SER 54 -2.208 9.902 -14.509 399 HB3 SER 54 1HB SER 54 -2.485 9.593 -16.223 400 HG SER 54 HG SER 54 -2.040 11.954 -14.921 401 H SER 55 H SER 55 -4.612 8.086 -13.462 402 HA SER 55 HA SER 55 -4.768 5.997 -15.474 403 HB2 SER 55 2HB SER 55 -3.547 5.895 -13.157 404 HB3 SER 55 1HB SER 55 -5.152 5.508 -12.540 405 HG SER 55 HG SER 55 -5.095 3.621 -13.526 406 H GLU 56 H GLU 56 -6.612 5.248 -16.279 407 HA GLU 56 HA GLU 56 -9.119 6.293 -15.602 408 HB2 GLU 56 2HB GLU 56 -8.146 4.069 -17.313 409 HB3 GLU 56 1HB GLU 56 -9.847 4.053 -16.870 410 HG2 GLU 56 2HG GLU 56 -9.726 5.158 -18.935 411 HG3 GLU 56 1HG GLU 56 -9.968 6.420 -17.729 412 H LYS 57 H LYS 57 -7.370 3.558 -14.402 413 HA LYS 57 HA LYS 57 -9.687 2.711 -12.817 414 HB2 LYS 57 2HB LYS 57 -7.085 1.297 -13.417 415 HB3 LYS 57 1HB LYS 57 -8.343 0.660 -12.365 416 HG2 LYS 57 2HG LYS 57 -8.766 -0.406 -14.365 417 HG3 LYS 57 1HG LYS 57 -9.882 0.959 -14.415 418 HD2 LYS 57 2HD LYS 57 -7.569 1.972 -15.530 419 HD3 LYS 57 1HD LYS 57 -7.637 0.322 -16.150 420 HE2 LYS 57 2HE LYS 57 -10.038 2.118 -16.223 421 HE3 LYS 57 1HE LYS 57 -8.809 2.184 -17.486 422 HZ1 LYS 57 3HZ LYS 57 -10.714 0.049 -16.854 423 HZ2 LYS 57 1HZ LYS 57 -9.214 -0.388 -17.501 424 HZ3 LYS 57 2HZ LYS 57 -10.233 0.652 -18.359 425 H MET 58 H MET 58 -9.794 3.313 -10.758 426 HA MET 58 HA MET 58 -7.444 4.462 -9.483 427 HB2 MET 58 2HB MET 58 -10.207 4.254 -8.301 428 HB3 MET 58 1HB MET 58 -8.927 5.378 -7.869 429 HG2 MET 58 2HG MET 58 -9.330 5.912 -10.528 430 HG3 MET 58 1HG MET 58 -10.955 5.554 -9.947 431 HE1 MET 58 3HE MET 58 -7.705 7.288 -9.057 432 HE2 MET 58 1HE MET 58 -8.176 8.883 -8.471 433 HE3 MET 58 2HE MET 58 -8.298 8.504 -10.189 434 H MET 59 H MET 59 -6.104 3.008 -8.611 435 HA MET 59 HA MET 59 -7.158 1.218 -6.565 436 HB2 MET 59 2HB MET 59 -5.476 0.283 -8.893 437 HB3 MET 59 1HB MET 59 -5.761 -0.667 -7.443 438 HG2 MET 59 2HG MET 59 -7.924 -1.124 -7.994 439 HG3 MET 59 1HG MET 59 -8.118 0.359 -8.927 440 HE1 MET 59 3HE MET 59 -5.275 -0.053 -10.840 441 HE2 MET 59 1HE MET 59 -6.795 0.797 -11.117 442 HE3 MET 59 2HE MET 59 -6.270 -0.459 -12.239 443 H LEU 60 H LEU 60 -5.784 0.920 -4.868 444 HA LEU 60 HA LEU 60 -3.175 2.280 -5.066 445 HB2 LEU 60 2HB LEU 60 -5.200 2.079 -2.904 446 HB3 LEU 60 1HB LEU 60 -3.515 2.121 -2.424 447 HG LEU 60 HG LEU 60 -3.265 4.250 -3.711 448 HD11 LEU 60 1HD1 LEU 60 -5.287 3.782 -5.158 449 HD12 LEU 60 2HD1 LEU 60 -5.136 5.422 -4.530 450 HD13 LEU 60 3HD1 LEU 60 -6.268 4.294 -3.784 451 HD21 LEU 60 3HD2 LEU 60 -4.778 3.825 -1.250 452 HD22 LEU 60 1HD2 LEU 60 -5.086 5.385 -2.013 453 HD23 LEU 60 2HD2 LEU 60 -3.439 4.922 -1.586 454 H ARG 61 H ARG 61 -1.485 1.404 -3.564 455 HA ARG 61 HA ARG 61 -1.702 -1.376 -2.826 456 HB2 ARG 61 2HB ARG 61 0.128 -0.495 -5.060 457 HB3 ARG 61 1HB ARG 61 0.314 -2.017 -4.198 458 HG2 ARG 61 2HG ARG 61 -2.186 -2.363 -4.888 459 HG3 ARG 61 1HG ARG 61 -1.787 -1.172 -6.128 460 HD2 ARG 61 2HD ARG 61 -0.112 -3.621 -5.644 461 HD3 ARG 61 1HD ARG 61 -1.492 -3.626 -6.740 462 HE ARG 61 HE ARG 61 0.149 -1.484 -7.443 463 HH11 ARG 61 1HH1 ARG 61 0.262 -4.971 -7.400 464 HH12 ARG 61 2HH1 ARG 61 1.357 -5.078 -8.738 465 HH21 ARG 61 1HH2 ARG 61 1.589 -1.621 -9.202 466 HH22 ARG 61 2HH2 ARG 61 2.111 -3.175 -9.760 467 H LEU 62 H LEU 62 -0.147 -2.004 -1.333 468 HA LEU 62 HA LEU 62 1.837 0.045 -0.598 469 HB2 LEU 62 2HB LEU 62 -0.182 -1.332 1.098 470 HB3 LEU 62 1HB LEU 62 1.383 -0.982 1.796 471 HG LEU 62 HG LEU 62 0.731 1.434 0.687 472 HD11 LEU 62 1HD1 LEU 62 -1.664 1.623 1.802 473 HD12 LEU 62 2HD1 LEU 62 -1.740 -0.067 1.300 474 HD13 LEU 62 3HD1 LEU 62 -1.442 1.200 0.102 475 HD21 LEU 62 3HD2 LEU 62 -0.265 1.655 3.231 476 HD22 LEU 62 1HD2 LEU 62 1.438 1.777 2.782 477 HD23 LEU 62 2HD2 LEU 62 0.784 0.244 3.351 478 H ILE 63 H ILE 63 3.849 -0.695 -0.577 479 HA ILE 63 HA ILE 63 4.334 -3.553 -0.751 480 HB ILE 63 HB ILE 63 6.244 -1.216 -0.918 481 HG12 ILE 63 2HG1 ILE 63 4.722 -1.290 -2.805 482 HG13 ILE 63 1HG1 ILE 63 6.317 -1.825 -3.328 483 HG21 ILE 63 1HG2 ILE 63 6.670 -4.154 -0.934 484 HG22 ILE 63 2HG2 ILE 63 7.698 -2.864 -0.309 485 HG23 ILE 63 3HG2 ILE 63 7.630 -3.175 -2.044 486 HD11 ILE 63 3HD1 ILE 63 3.779 -3.281 -3.213 487 HD12 ILE 63 1HD1 ILE 63 5.188 -4.183 -2.651 488 HD13 ILE 63 2HD1 ILE 63 5.171 -3.494 -4.276 489 H GLY 64 H GLY 64 4.999 -4.799 0.876 490 HA2 GLY 64 2HA GLY 64 5.314 -3.638 3.506 491 HA3 GLY 64 1HA GLY 64 5.324 -5.350 3.112 492 H LYS 65 H LYS 65 7.101 -4.679 4.927 493 HA LYS 65 HA LYS 65 9.612 -3.864 3.775 494 HB2 LYS 65 2HB LYS 65 8.572 -3.880 6.332 495 HB3 LYS 65 1HB LYS 65 9.748 -5.186 6.379 496 HG2 LYS 65 2HG LYS 65 10.679 -3.023 7.089 497 HG3 LYS 65 1HG LYS 65 11.506 -3.700 5.685 498 HD2 LYS 65 2HD LYS 65 10.883 -2.001 4.351 499 HD3 LYS 65 1HD LYS 65 9.255 -1.942 5.027 500 HE2 LYS 65 2HE LYS 65 10.068 0.072 5.747 501 HE3 LYS 65 1HE LYS 65 10.511 -0.952 7.113 502 HZ1 LYS 65 3HZ LYS 65 12.705 -0.856 6.595 503 HZ2 LYS 65 1HZ LYS 65 12.237 0.644 5.965 504 HZ3 LYS 65 2HZ LYS 65 12.441 -0.681 4.933 505 H VAL 66 H VAL 66 11.315 -5.126 3.181 506 HA VAL 66 HA VAL 66 10.912 -8.010 3.212 507 HB VAL 66 HB VAL 66 10.820 -6.923 1.006 508 HG11 VAL 66 1HG1 VAL 66 13.172 -5.604 1.963 509 HG12 VAL 66 2HG1 VAL 66 12.196 -5.264 0.534 510 HG13 VAL 66 3HG1 VAL 66 13.513 -6.433 0.443 511 HG21 VAL 66 3HG2 VAL 66 11.492 -8.902 0.273 512 HG22 VAL 66 1HG2 VAL 66 12.369 -9.177 1.777 513 HG23 VAL 66 2HG2 VAL 66 13.170 -8.384 0.421 514 H ASP 67 H ASP 67 13.809 -7.553 2.109 515 HA ASP 67 HA ASP 67 15.467 -6.844 4.222 516 HB2 ASP 67 2HB ASP 67 14.214 -9.135 4.915 517 HB3 ASP 67 1HB ASP 67 15.608 -9.800 4.067 518 H GLU 68 H GLU 68 17.001 -6.083 2.902 519 HA GLU 68 HA GLU 68 17.899 -7.719 0.647 520 HB2 GLU 68 2HB GLU 68 18.335 -4.817 1.352 521 HB3 GLU 68 1HB GLU 68 19.153 -5.613 0.015 522 HG2 GLU 68 2HG GLU 68 17.433 -4.919 -1.213 523 HG3 GLU 68 1HG GLU 68 16.542 -6.244 -0.463 524 H SER 69 H SER 69 18.591 -8.331 3.437 525 HA SER 69 HA SER 69 21.519 -8.150 3.182 526 HB2 SER 69 2HB SER 69 20.189 -6.829 5.111 527 HB3 SER 69 1HB SER 69 20.369 -8.391 5.910 528 HG SER 69 HG SER 69 22.671 -8.176 5.272 529 H LYS 70 H LYS 70 19.716 -10.235 2.272 530 HA LYS 70 HA LYS 70 20.877 -12.460 3.787 531 HB2 LYS 70 2HB LYS 70 17.966 -12.104 3.096 532 HB3 LYS 70 1HB LYS 70 18.658 -13.682 3.445 533 HG2 LYS 70 2HG LYS 70 18.843 -11.364 5.347 534 HG3 LYS 70 1HG LYS 70 17.511 -12.522 5.361 535 HD2 LYS 70 2HD LYS 70 18.763 -13.781 6.708 536 HD3 LYS 70 1HD LYS 70 19.793 -14.104 5.312 537 HE2 LYS 70 2HE LYS 70 20.316 -11.558 6.682 538 HE3 LYS 70 1HE LYS 70 20.647 -12.999 7.642 539 HZ1 LYS 70 3HZ LYS 70 22.606 -12.945 6.590 540 HZ2 LYS 70 1HZ LYS 70 22.038 -11.964 5.332 541 HZ3 LYS 70 2HZ LYS 70 21.771 -13.633 5.290 542 H LYS 71 H LYS 71 18.734 -11.897 0.986 543 HA LYS 71 HA LYS 71 18.841 -12.594 -1.176 544 HB2 LYS 71 2HB LYS 71 21.674 -12.362 -0.374 545 HB3 LYS 71 1HB LYS 71 21.372 -13.370 -1.782 546 HG2 LYS 71 2HG LYS 71 19.849 -11.010 -2.098 547 HG3 LYS 71 1HG LYS 71 21.473 -10.533 -1.599 548 HD2 LYS 71 2HD LYS 71 22.420 -11.262 -3.521 549 HD3 LYS 71 1HD LYS 71 21.323 -12.636 -3.663 550 HE2 LYS 71 2HE LYS 71 20.645 -11.336 -5.435 551 HE3 LYS 71 1HE LYS 71 19.544 -10.794 -4.169 552 HZ1 LYS 71 3HZ LYS 71 22.010 -9.426 -5.093 553 HZ2 LYS 71 1HZ LYS 71 21.111 -8.943 -3.744 554 HZ3 LYS 71 2HZ LYS 71 20.416 -8.894 -5.285 555 H ARG 72 H ARG 72 18.423 -14.468 -2.243 556 HA ARG 72 HA ARG 72 19.564 -16.972 -1.355 557 HB2 ARG 72 2HB ARG 72 17.489 -18.047 -0.793 558 HB3 ARG 72 1HB ARG 72 17.645 -16.595 0.185 559 HG2 ARG 72 2HG ARG 72 16.123 -16.509 -2.380 560 HG3 ARG 72 1HG ARG 72 15.376 -17.165 -0.923 561 HD2 ARG 72 2HD ARG 72 16.527 -14.821 -0.044 562 HD3 ARG 72 1HD ARG 72 15.946 -14.404 -1.656 563 HE ARG 72 HE ARG 72 13.791 -14.571 -0.892 564 HH11 ARG 72 1HH1 ARG 72 15.944 -16.010 1.448 565 HH12 ARG 72 2HH1 ARG 72 14.714 -16.190 2.655 566 HH21 ARG 72 1HH2 ARG 72 12.173 -14.806 0.693 567 HH22 ARG 72 2HH2 ARG 72 12.573 -15.508 2.225 568 H LYS 73 H LYS 73 17.933 -18.758 -2.589 569 HA LYS 73 HA LYS 73 18.302 -18.036 -5.398 570 HB2 LYS 73 2HB LYS 73 17.564 -20.768 -4.375 571 HB3 LYS 73 1HB LYS 73 18.361 -20.345 -5.884 572 HG2 LYS 73 2HG LYS 73 19.654 -19.843 -3.224 573 HG3 LYS 73 1HG LYS 73 19.776 -21.400 -4.046 574 HD2 LYS 73 2HD LYS 73 21.608 -20.469 -4.978 575 HD3 LYS 73 1HD LYS 73 20.431 -19.731 -6.066 576 HE2 LYS 73 2HE LYS 73 20.333 -17.785 -4.489 577 HE3 LYS 73 1HE LYS 73 21.679 -18.510 -3.611 578 HZ1 LYS 73 3HZ LYS 73 22.627 -18.519 -6.104 579 HZ2 LYS 73 1HZ LYS 73 22.890 -17.258 -5.005 580 HZ3 LYS 73 2HZ LYS 73 21.661 -17.133 -6.160 581 H ASP 74 H ASP 74 16.549 -19.723 -6.652 582 HA ASP 74 HA ASP 74 13.956 -18.550 -5.910 583 HB2 ASP 74 2HB ASP 74 15.046 -18.057 -8.194 584 HB3 ASP 74 1HB ASP 74 14.603 -19.710 -8.611 585 H ASN 75 H ASN 75 15.259 -21.095 -4.941 586 HA ASN 75 HA ASN 75 14.470 -23.104 -4.202 587 HB2 ASN 75 2HB ASN 75 12.194 -21.766 -4.457 588 HB3 ASN 75 1HB ASN 75 11.946 -22.908 -5.774 589 HD21 ASN 75 1HD2 ASN 75 12.590 -25.238 -5.085 590 HD22 ASN 75 2HD2 ASN 75 11.919 -25.758 -3.581 591 H GLU 76 H GLU 76 15.174 -22.345 -7.318 592 HA GLU 76 HA GLU 76 14.958 -25.145 -8.178 593 HB2 GLU 76 2HB GLU 76 15.119 -22.918 -10.158 594 HB3 GLU 76 1HB GLU 76 14.428 -24.523 -10.349 595 HG2 GLU 76 2HG GLU 76 12.634 -23.766 -8.713 596 HG3 GLU 76 1HG GLU 76 13.254 -22.136 -8.969 597 H GLY 77 H GLY 77 16.770 -22.162 -8.535 598 HA2 GLY 77 2HA GLY 77 19.267 -22.859 -7.957 599 HA3 GLY 77 1HA GLY 77 19.095 -23.611 -9.534 600 H ASN 78 H ASN 78 17.830 -20.505 -8.382 601 HA ASN 78 HA ASN 78 19.537 -19.165 -10.374 602 HB2 ASN 78 2HB ASN 78 16.610 -18.756 -9.790 603 HB3 ASN 78 1HB ASN 78 17.581 -17.510 -10.570 604 HD21 ASN 78 1HD2 ASN 78 16.753 -20.942 -10.825 605 HD22 ASN 78 2HD2 ASN 78 16.748 -20.988 -12.562 606 H GLU 79 H GLU 79 19.324 -16.632 -9.914 607 HA GLU 79 HA GLU 79 19.743 -16.258 -7.021 608 HB2 GLU 79 2HB GLU 79 21.200 -14.723 -9.167 609 HB3 GLU 79 1HB GLU 79 21.561 -14.784 -7.447 610 HG2 GLU 79 2HG GLU 79 21.766 -17.406 -8.141 611 HG3 GLU 79 1HG GLU 79 22.334 -16.601 -9.603 612 H VAL 80 H VAL 80 18.068 -15.128 -6.279 613 HA VAL 80 HA VAL 80 17.297 -12.690 -7.734 614 HB VAL 80 HB VAL 80 14.956 -13.042 -7.218 615 HG11 VAL 80 1HG1 VAL 80 15.849 -13.958 -9.316 616 HG12 VAL 80 2HG1 VAL 80 14.485 -14.895 -8.709 617 HG13 VAL 80 3HG1 VAL 80 16.129 -15.501 -8.510 618 HG21 VAL 80 3HG2 VAL 80 16.015 -15.351 -5.671 619 HG22 VAL 80 1HG2 VAL 80 14.429 -15.509 -6.425 620 HG23 VAL 80 2HG2 VAL 80 14.730 -14.213 -5.266 621 H VAL 81 H VAL 81 15.567 -11.532 -6.103 622 HA VAL 81 HA VAL 81 16.920 -11.390 -3.489 623 HB VAL 81 HB VAL 81 15.686 -9.057 -4.960 624 HG11 VAL 81 1HG1 VAL 81 17.459 -9.062 -2.524 625 HG12 VAL 81 2HG1 VAL 81 15.698 -8.972 -2.463 626 HG13 VAL 81 3HG1 VAL 81 16.621 -7.685 -3.241 627 HG21 VAL 81 3HG2 VAL 81 18.018 -10.264 -5.665 628 HG22 VAL 81 1HG2 VAL 81 18.585 -9.071 -4.496 629 HG23 VAL 81 2HG2 VAL 81 17.662 -8.554 -5.908 630 HA PRO 82 HA PRO 82 13.037 -12.362 -1.593 631 HB2 PRO 82 2HB PRO 82 13.859 -10.261 0.363 632 HB3 PRO 82 1HB PRO 82 13.301 -11.913 0.654 633 HG2 PRO 82 2HG PRO 82 15.880 -11.302 0.865 634 HG3 PRO 82 1HG PRO 82 15.367 -12.840 0.147 635 HD2 PRO 82 2HD PRO 82 16.410 -10.381 -1.179 636 HD3 PRO 82 1HD PRO 82 16.634 -12.086 -1.620 637 H LYS 83 H LYS 83 11.122 -11.651 -2.265 638 HA LYS 83 HA LYS 83 10.761 -8.834 -2.906 639 HB2 LYS 83 2HB LYS 83 8.751 -11.047 -3.292 640 HB3 LYS 83 1HB LYS 83 8.819 -9.494 -4.112 641 HG2 LYS 83 2HG LYS 83 9.745 -10.695 -5.763 642 HG3 LYS 83 1HG LYS 83 11.217 -10.508 -4.808 643 HD2 LYS 83 2HD LYS 83 11.308 -12.752 -4.925 644 HD3 LYS 83 1HD LYS 83 10.100 -12.692 -3.638 645 HE2 LYS 83 2HE LYS 83 8.501 -12.470 -5.790 646 HE3 LYS 83 1HE LYS 83 9.814 -13.419 -6.486 647 HZ1 LYS 83 3HZ LYS 83 9.463 -14.775 -4.272 648 HZ2 LYS 83 1HZ LYS 83 8.538 -15.082 -5.655 649 HZ3 LYS 83 2HZ LYS 83 7.899 -14.144 -4.402 650 HA PRO 84 HA PRO 84 8.488 -8.061 0.826 651 HB2 PRO 84 2HB PRO 84 7.495 -5.652 0.262 652 HB3 PRO 84 1HB PRO 84 9.232 -5.898 0.488 653 HG2 PRO 84 2HG PRO 84 7.663 -5.697 -2.049 654 HG3 PRO 84 1HG PRO 84 9.204 -4.930 -1.629 655 HD2 PRO 84 2HD PRO 84 9.011 -7.204 -3.134 656 HD3 PRO 84 1HD PRO 84 10.415 -6.817 -2.121 657 H GLN 85 H GLN 85 6.223 -7.169 1.442 658 HA GLN 85 HA GLN 85 4.276 -8.835 0.132 659 HB2 GLN 85 2HB GLN 85 4.322 -7.097 2.558 660 HB3 GLN 85 1HB GLN 85 2.762 -7.510 1.862 661 HG2 GLN 85 2HG GLN 85 4.574 -9.782 2.211 662 HG3 GLN 85 1HG GLN 85 4.086 -8.990 3.708 663 HE21 GLN 85 1HE2 GLN 85 3.298 -11.329 1.519 664 HE22 GLN 85 2HE2 GLN 85 1.613 -11.510 1.893 665 H ARG 86 H ARG 86 2.095 -7.911 -0.458 666 HA ARG 86 HA ARG 86 2.124 -5.155 -1.365 667 HB2 ARG 86 2HB ARG 86 1.591 -7.304 -3.404 668 HB3 ARG 86 1HB ARG 86 1.839 -5.584 -3.672 669 HG2 ARG 86 2HG ARG 86 4.192 -5.884 -2.893 670 HG3 ARG 86 1HG ARG 86 3.899 -7.623 -2.870 671 HD2 ARG 86 2HD ARG 86 3.062 -7.147 -5.333 672 HD3 ARG 86 1HD ARG 86 4.136 -5.757 -5.176 673 HE ARG 86 HE ARG 86 4.895 -8.519 -5.425 674 HH11 ARG 86 1HH1 ARG 86 5.887 -5.369 -4.296 675 HH12 ARG 86 2HH1 ARG 86 7.578 -5.729 -4.397 676 HH21 ARG 86 1HH2 ARG 86 7.118 -8.993 -5.558 677 HH22 ARG 86 2HH2 ARG 86 8.277 -7.785 -5.114 678 H HIS 87 H HIS 87 0.273 -4.461 -0.522 679 HA HIS 87 HA HIS 87 -2.073 -6.207 -0.523 680 HB2 HIS 87 2HB HIS 87 -1.946 -3.441 0.663 681 HB3 HIS 87 1HB HIS 87 -3.018 -4.769 1.096 682 HD1 HIS 87 1HD HIS 87 -1.411 -6.987 1.965 683 HD2 HIS 87 2HD HIS 87 -0.084 -3.097 2.573 684 HE1 HIS 87 1HE HIS 87 0.278 -7.135 3.822 685 HE2 HIS 87 2HE HIS 87 1.130 -4.783 4.114 686 H MET 88 H MET 88 -3.269 -6.144 -2.318 687 HA MET 88 HA MET 88 -3.303 -3.764 -3.974 688 HB2 MET 88 2HB MET 88 -3.106 -5.996 -4.999 689 HB3 MET 88 1HB MET 88 -4.689 -6.420 -4.365 690 HG2 MET 88 2HG MET 88 -5.615 -5.612 -6.197 691 HG3 MET 88 1HG MET 88 -5.013 -4.010 -5.775 692 HE1 MET 88 3HE MET 88 -2.695 -3.035 -8.218 693 HE2 MET 88 1HE MET 88 -3.996 -2.736 -7.066 694 HE3 MET 88 2HE MET 88 -4.376 -3.214 -8.720 695 H PHE 89 H PHE 89 -4.646 -2.173 -3.525 696 HA PHE 89 HA PHE 89 -7.340 -2.833 -2.525 697 HB2 PHE 89 2HB PHE 89 -5.655 -0.369 -2.032 698 HB3 PHE 89 1HB PHE 89 -7.340 -0.527 -1.547 699 HD1 PHE 89 1HD PHE 89 -7.919 -2.500 0.003 700 HD2 PHE 89 2HD PHE 89 -3.966 -1.050 -0.607 701 HE1 PHE 89 1HE PHE 89 -7.215 -3.546 2.116 702 HE2 PHE 89 2HE PHE 89 -3.253 -2.093 1.504 703 HZ PHE 89 HZ PHE 89 -4.878 -3.344 2.868 704 H SER 90 H SER 90 -9.036 -2.214 -3.728 705 HA SER 90 HA SER 90 -8.476 -0.646 -6.142 706 HB2 SER 90 2HB SER 90 -11.123 -1.934 -5.821 707 HB3 SER 90 1HB SER 90 -10.062 -1.867 -7.228 708 HG SER 90 HG SER 90 -9.830 -3.563 -4.969 709 H PHE 91 H PHE 91 -8.957 1.430 -6.099 710 HA PHE 91 HA PHE 91 -10.936 2.431 -4.203 711 HB2 PHE 91 2HB PHE 91 -8.798 3.731 -5.875 712 HB3 PHE 91 1HB PHE 91 -10.063 4.689 -5.113 713 HD1 PHE 91 2HD PHE 91 -8.233 1.710 -3.840 714 HD2 PHE 91 1HD PHE 91 -9.015 5.870 -3.425 715 HE1 PHE 91 2HE PHE 91 -6.951 1.736 -1.747 716 HE2 PHE 91 1HE PHE 91 -7.735 5.905 -1.326 717 HZ PHE 91 HZ PHE 91 -6.703 3.836 -0.481 718 H ASN 92 H ASN 92 -12.590 3.944 -4.880 719 HA ASN 92 HA ASN 92 -13.325 3.743 -7.717 720 HB2 ASN 92 2HB ASN 92 -14.568 2.197 -5.901 721 HB3 ASN 92 1HB ASN 92 -15.548 3.653 -5.756 722 HD21 ASN 92 1HD2 ASN 92 -16.024 0.912 -6.894 723 HD22 ASN 92 2HD2 ASN 92 -16.660 1.208 -8.473 724 H ASN 93 H ASN 93 -12.242 5.878 -5.814 725 HA ASN 93 HA ASN 93 -14.032 7.972 -6.751 726 HB2 ASN 93 2HB ASN 93 -13.935 7.105 -4.000 727 HB3 ASN 93 1HB ASN 93 -13.381 8.772 -4.130 728 HD21 ASN 93 1HD2 ASN 93 -15.110 9.760 -3.239 729 HD22 ASN 93 2HD2 ASN 93 -16.703 9.738 -3.931 730 H ARG 94 H ARG 94 -13.042 9.958 -7.042 731 HA ARG 94 HA ARG 94 -10.183 9.870 -7.321 732 HB2 ARG 94 2HB ARG 94 -10.514 12.261 -8.108 733 HB3 ARG 94 1HB ARG 94 -11.332 11.015 -9.042 734 HG2 ARG 94 2HG ARG 94 -13.432 11.582 -8.164 735 HG3 ARG 94 1HG ARG 94 -12.721 12.531 -6.857 736 HD2 ARG 94 2HD ARG 94 -12.626 13.208 -9.796 737 HD3 ARG 94 1HD ARG 94 -13.665 13.970 -8.592 738 HE ARG 94 HE ARG 94 -11.024 14.213 -7.727 739 HH11 ARG 94 1HH1 ARG 94 -13.057 15.359 -10.322 740 HH12 ARG 94 2HH1 ARG 94 -12.179 16.837 -10.526 741 HH21 ARG 94 1HH2 ARG 94 -9.867 16.157 -7.994 742 HH22 ARG 94 2HH2 ARG 94 -10.367 17.291 -9.204 743 H THR 95 H THR 95 -12.487 11.418 -5.157 744 HA THR 95 HA THR 95 -10.607 13.083 -3.861 745 HB THR 95 HB THR 95 -13.007 12.310 -2.412 746 HG1 THR 95 1HG THR 95 -13.221 13.459 -4.983 747 HG21 THR 95 3HG2 THR 95 -11.783 14.318 -1.843 748 HG22 THR 95 1HG2 THR 95 -13.417 14.703 -2.383 749 HG23 THR 95 2HG2 THR 95 -12.050 14.937 -3.472 750 H VAL 96 H VAL 96 -12.124 9.975 -3.039 751 HA VAL 96 HA VAL 96 -11.030 9.670 -0.503 752 HB VAL 96 HB VAL 96 -12.799 8.205 -1.409 753 HG11 VAL 96 1HG1 VAL 96 -11.655 7.932 -3.652 754 HG12 VAL 96 2HG1 VAL 96 -12.382 6.482 -2.961 755 HG13 VAL 96 3HG1 VAL 96 -10.638 6.720 -2.875 756 HG21 VAL 96 3HG2 VAL 96 -12.282 6.543 0.026 757 HG22 VAL 96 1HG2 VAL 96 -10.919 7.590 0.421 758 HG23 VAL 96 2HG2 VAL 96 -10.705 6.253 -0.710 759 H MET 97 H MET 97 -9.727 8.561 -3.625 760 HA MET 97 HA MET 97 -7.393 7.395 -2.582 761 HB2 MET 97 2HB MET 97 -6.488 7.668 -4.889 762 HB3 MET 97 1HB MET 97 -8.061 6.889 -4.834 763 HG2 MET 97 2HG MET 97 -8.372 8.340 -6.559 764 HG3 MET 97 1HG MET 97 -8.936 9.323 -5.210 765 HE1 MET 97 3HE MET 97 -4.873 9.384 -7.155 766 HE2 MET 97 1HE MET 97 -6.164 9.717 -8.309 767 HE3 MET 97 2HE MET 97 -6.190 8.230 -7.362 768 H ASP 98 H ASP 98 -8.242 10.644 -3.413 769 HA ASP 98 HA ASP 98 -5.665 11.780 -3.427 770 HB2 ASP 98 2HB ASP 98 -8.439 12.756 -3.374 771 HB3 ASP 98 1HB ASP 98 -7.275 13.840 -2.615 772 H ASN 99 H ASN 99 -8.052 11.372 -0.810 773 HA ASN 99 HA ASN 99 -6.300 12.667 1.086 774 HB2 ASN 99 2HB ASN 99 -8.017 12.341 2.707 775 HB3 ASN 99 1HB ASN 99 -8.810 12.794 1.205 776 HD21 ASN 99 1HD2 ASN 99 -10.641 11.764 0.991 777 HD22 ASN 99 2HD2 ASN 99 -10.936 10.100 1.388 778 H ILE 100 H ILE 100 -7.174 9.369 0.229 779 HA ILE 100 HA ILE 100 -5.965 8.094 2.444 780 HB ILE 100 HB ILE 100 -6.460 7.061 -0.352 781 HG12 ILE 100 2HG1 ILE 100 -8.408 7.796 1.180 782 HG13 ILE 100 1HG1 ILE 100 -8.497 6.205 0.435 783 HG21 ILE 100 1HG2 ILE 100 -5.028 5.442 0.281 784 HG22 ILE 100 2HG2 ILE 100 -6.414 4.846 1.193 785 HG23 ILE 100 3HG2 ILE 100 -5.185 5.824 1.995 786 HD11 ILE 100 3HD1 ILE 100 -8.849 6.776 3.093 787 HD12 ILE 100 1HD1 ILE 100 -7.201 6.149 3.030 788 HD13 ILE 100 2HD1 ILE 100 -8.536 5.182 2.404 789 H LYS 101 H LYS 101 -4.781 8.585 -0.882 790 HA LYS 101 HA LYS 101 -2.201 7.562 -0.430 791 HB2 LYS 101 2HB LYS 101 -3.137 7.825 -2.673 792 HB3 LYS 101 1HB LYS 101 -3.144 9.573 -2.483 793 HG2 LYS 101 2HG LYS 101 -0.593 9.281 -2.096 794 HG3 LYS 101 1HG LYS 101 -0.837 7.723 -2.888 795 HD2 LYS 101 2HD LYS 101 -0.315 9.092 -4.675 796 HD3 LYS 101 1HD LYS 101 -2.080 9.136 -4.686 797 HE2 LYS 101 2HE LYS 101 -1.581 11.370 -4.881 798 HE3 LYS 101 1HE LYS 101 -1.744 11.210 -3.133 799 HZ1 LYS 101 3HZ LYS 101 0.832 10.697 -3.392 800 HZ2 LYS 101 1HZ LYS 101 0.234 12.268 -3.196 801 HZ3 LYS 101 2HZ LYS 101 0.636 11.702 -4.738 802 H MET 102 H MET 102 -3.595 10.730 0.062 803 HA MET 102 HA MET 102 -1.039 11.986 0.527 804 HB2 MET 102 2HB MET 102 -3.884 12.946 0.750 805 HB3 MET 102 1HB MET 102 -2.518 13.939 1.239 806 HG2 MET 102 2HG MET 102 -1.634 13.905 -1.000 807 HG3 MET 102 1HG MET 102 -2.898 12.790 -1.515 808 HE1 MET 102 3HE MET 102 -3.951 15.694 1.006 809 HE2 MET 102 1HE MET 102 -3.792 17.072 -0.082 810 HE3 MET 102 2HE MET 102 -2.371 16.120 0.347 811 H THR 103 H THR 103 -3.484 10.425 2.396 812 HA THR 103 HA THR 103 -2.571 11.535 4.909 813 HB THR 103 HB THR 103 -4.633 9.434 4.233 814 HG1 THR 103 1HG THR 103 -6.023 11.020 4.462 815 HG21 THR 103 3HG2 THR 103 -5.049 10.379 6.843 816 HG22 THR 103 1HG2 THR 103 -3.368 9.854 6.756 817 HG23 THR 103 2HG2 THR 103 -4.663 8.736 6.328 818 H LEU 104 H LEU 104 -2.520 8.352 3.313 819 HA LEU 104 HA LEU 104 -1.223 6.928 5.311 820 HB2 LEU 104 2HB LEU 104 -1.536 6.647 2.386 821 HB3 LEU 104 1HB LEU 104 -0.191 5.772 3.091 822 HG LEU 104 HG LEU 104 -1.693 4.573 4.576 823 HD11 LEU 104 1HD1 LEU 104 -3.812 6.314 3.340 824 HD12 LEU 104 2HD1 LEU 104 -3.366 6.189 5.041 825 HD13 LEU 104 3HD1 LEU 104 -4.167 4.838 4.237 826 HD21 LEU 104 3HD2 LEU 104 -1.289 3.682 2.318 827 HD22 LEU 104 1HD2 LEU 104 -2.722 4.533 1.742 828 HD23 LEU 104 2HD2 LEU 104 -2.882 3.244 2.936 829 H GLN 105 H GLN 105 0.175 8.784 2.628 830 HA GLN 105 HA GLN 105 2.864 8.299 3.083 831 HB2 GLN 105 2HB GLN 105 1.318 10.086 1.519 832 HB3 GLN 105 1HB GLN 105 2.518 11.054 2.364 833 HG2 GLN 105 2HG GLN 105 4.304 9.760 1.447 834 HG3 GLN 105 1HG GLN 105 3.170 8.602 0.751 835 HE21 GLN 105 1HE2 GLN 105 1.475 9.714 -0.698 836 HE22 GLN 105 2HE2 GLN 105 2.113 10.851 -1.843 837 H GLN 106 H GLN 106 0.644 10.316 4.842 838 HA GLN 106 HA GLN 106 2.492 11.925 6.221 839 HB2 GLN 106 2HB GLN 106 -0.133 10.933 7.331 840 HB3 GLN 106 1HB GLN 106 0.723 12.404 7.770 841 HG2 GLN 106 2HG GLN 106 -0.664 11.804 5.174 842 HG3 GLN 106 1HG GLN 106 -1.129 12.990 6.391 843 HE21 GLN 106 1HE2 GLN 106 1.043 12.234 3.798 844 HE22 GLN 106 2HE2 GLN 106 1.713 13.825 3.618 845 H ILE 107 H ILE 107 1.312 8.703 6.737 846 HA ILE 107 HA ILE 107 2.591 8.361 9.298 847 HB ILE 107 HB ILE 107 1.316 6.378 7.405 848 HG12 ILE 107 2HG1 ILE 107 -0.178 6.419 9.697 849 HG13 ILE 107 1HG1 ILE 107 0.339 8.098 9.582 850 HG21 ILE 107 1HG2 ILE 107 1.410 4.781 9.266 851 HG22 ILE 107 2HG2 ILE 107 2.350 5.943 10.202 852 HG23 ILE 107 3HG2 ILE 107 3.016 5.261 8.717 853 HD11 ILE 107 3HD1 ILE 107 -0.470 7.877 7.117 854 HD12 ILE 107 1HD1 ILE 107 -1.630 8.139 8.420 855 HD13 ILE 107 2HD1 ILE 107 -1.401 6.521 7.757 856 H ILE 108 H ILE 108 3.204 7.620 5.949 857 HA ILE 108 HA ILE 108 5.363 5.885 6.102 858 HB ILE 108 HB ILE 108 5.007 8.110 4.090 859 HG12 ILE 108 2HG1 ILE 108 2.964 6.767 4.334 860 HG13 ILE 108 1HG1 ILE 108 3.716 6.545 2.764 861 HG21 ILE 108 1HG2 ILE 108 6.389 5.449 3.840 862 HG22 ILE 108 2HG2 ILE 108 7.181 7.019 3.982 863 HG23 ILE 108 3HG2 ILE 108 6.196 6.652 2.565 864 HD11 ILE 108 3HD1 ILE 108 4.220 4.380 3.160 865 HD12 ILE 108 1HD1 ILE 108 2.810 4.528 4.208 866 HD13 ILE 108 2HD1 ILE 108 4.432 4.627 4.893 867 H SER 109 H SER 109 5.508 9.392 5.594 868 HA SER 109 HA SER 109 8.219 9.768 5.814 869 HB2 SER 109 2HB SER 109 5.857 11.509 6.322 870 HB3 SER 109 1HB SER 109 7.441 12.095 6.829 871 HG SER 109 HG SER 109 6.433 11.654 4.275 872 H ARG 110 H ARG 110 5.989 9.086 8.363 873 HA ARG 110 HA ARG 110 7.346 10.127 10.563 874 HB2 ARG 110 2HB ARG 110 5.791 7.536 10.498 875 HB3 ARG 110 1HB ARG 110 6.130 8.522 11.913 876 HG2 ARG 110 2HG ARG 110 4.824 10.366 10.817 877 HG3 ARG 110 1HG ARG 110 4.334 9.186 9.599 878 HD2 ARG 110 2HD ARG 110 3.182 7.877 11.189 879 HD3 ARG 110 1HD ARG 110 3.936 8.720 12.542 880 HE ARG 110 HE ARG 110 1.614 9.537 11.068 881 HH11 ARG 110 1HH1 ARG 110 4.282 10.646 13.024 882 HH12 ARG 110 2HH1 ARG 110 3.473 12.090 13.533 883 HH21 ARG 110 1HH2 ARG 110 0.547 11.436 11.735 884 HH22 ARG 110 2HH2 ARG 110 1.352 12.538 12.802 885 H TYR 111 H TYR 111 7.762 7.033 8.895 886 HA TYR 111 HA TYR 111 9.788 6.118 10.714 887 HB2 TYR 111 2HB TYR 111 9.427 4.980 7.963 888 HB3 TYR 111 1HB TYR 111 9.847 4.157 9.461 889 HD1 TYR 111 2HD TYR 111 7.817 4.686 11.333 890 HD2 TYR 111 1HD TYR 111 7.417 4.266 7.117 891 HE1 TYR 111 2HE TYR 111 5.463 4.023 11.628 892 HE2 TYR 111 1HE TYR 111 5.065 3.605 7.399 893 HH TYR 111 HH TYR 111 3.430 3.884 10.427 894 H LYS 112 H LYS 112 9.699 7.948 7.766 895 HA LYS 112 HA LYS 112 12.280 7.565 6.803 896 HB2 LYS 112 2HB LYS 112 10.246 8.947 5.876 897 HB3 LYS 112 1HB LYS 112 11.029 10.281 6.712 898 HG2 LYS 112 2HG LYS 112 12.901 10.210 5.345 899 HG3 LYS 112 1HG LYS 112 12.567 8.562 4.809 900 HD2 LYS 112 2HD LYS 112 10.560 10.666 4.191 901 HD3 LYS 112 1HD LYS 112 12.066 10.664 3.272 902 HE2 LYS 112 2HE LYS 112 10.247 9.371 2.192 903 HE3 LYS 112 1HE LYS 112 11.682 8.408 2.543 904 HZ1 LYS 112 3HZ LYS 112 10.590 7.509 4.480 905 HZ2 LYS 112 1HZ LYS 112 9.617 7.257 3.119 906 HZ3 LYS 112 2HZ LYS 112 9.232 8.481 4.220 907 H ASP 113 H ASP 113 11.224 10.409 8.683 908 HA ASP 113 HA ASP 113 13.794 11.322 9.284 909 HB2 ASP 113 2HB ASP 113 11.751 12.693 9.511 910 HB3 ASP 113 1HB ASP 113 11.264 11.721 10.897 911 H ALA 114 H ALA 114 11.787 8.926 10.846 912 HA ALA 114 HA ALA 114 13.233 8.773 13.282 913 HB1 ALA 114 1HB ALA 114 11.732 6.453 12.131 914 HB2 ALA 114 2HB ALA 114 10.875 7.883 12.708 915 HB3 ALA 114 3HB ALA 114 11.890 6.958 13.814 916 H ASP 115 H ASP 115 13.138 6.451 10.572 917 HA ASP 115 HA ASP 115 15.343 4.947 11.415 918 HB2 ASP 115 2HB ASP 115 13.869 5.258 8.837 919 HB3 ASP 115 1HB ASP 115 15.415 4.415 8.820 920 H TYR 90 1HT TYR 90 3.440 -3.879 -18.674 921 HA TYR 90 HA TYR 90 4.721 -4.937 -16.249 922 HB2 TYR 90 2HB TYR 90 5.067 -2.605 -18.066 923 HB3 TYR 90 1HB TYR 90 5.304 -2.322 -16.344 924 HD1 TYR 90 1HD TYR 90 6.422 -4.476 -19.161 925 HD2 TYR 90 2HD TYR 90 7.331 -2.891 -15.319 926 HE1 TYR 90 1HE TYR 90 8.706 -5.373 -19.338 927 HE2 TYR 90 2HE TYR 90 9.616 -3.782 -15.485 928 HH TYR 90 HH TYR 90 10.824 -5.543 -16.686 929 H ASP 91 H ASP 91 3.506 -4.829 -14.486 930 HA ASP 91 HA ASP 91 1.025 -3.376 -14.458 931 HB2 ASP 91 2HB ASP 91 2.372 -4.780 -12.146 932 HB3 ASP 91 1HB ASP 91 0.668 -4.362 -12.292 933 H SER 92 H SER 92 4.196 -3.049 -12.944 934 HA SER 92 HA SER 92 3.592 -0.962 -11.179 935 HB2 SER 92 2HB SER 92 6.168 -1.718 -12.566 936 HB3 SER 92 1HB SER 92 6.069 -0.447 -11.346 937 HG SER 92 HG SER 92 6.148 -1.956 -9.903 938 H GLU 93 H GLU 93 4.369 -0.959 -14.599 939 HA GLU 93 HA GLU 93 4.817 1.820 -14.869 940 HB2 GLU 93 2HB GLU 93 5.178 -0.269 -16.509 941 HB3 GLU 93 1HB GLU 93 3.647 0.315 -17.146 942 HG2 GLU 93 2HG GLU 93 4.897 1.651 -18.412 943 HG3 GLU 93 1HG GLU 93 5.088 2.620 -16.952 944 H GLU 94 H GLU 94 1.933 -0.148 -14.821 945 HA GLU 94 HA GLU 94 0.156 1.760 -15.926 946 HB2 GLU 94 2HB GLU 94 -0.146 -0.739 -14.315 947 HB3 GLU 94 1HB GLU 94 -1.536 0.322 -14.499 948 HG2 GLU 94 2HG GLU 94 -1.750 -0.105 -16.727 949 HG3 GLU 94 1HG GLU 94 -0.034 -0.449 -16.939 950 H PHE 95 H PHE 95 0.474 0.709 -12.528 951 HA PHE 95 HA PHE 95 -0.864 3.104 -11.618 952 HB2 PHE 95 2HB PHE 95 0.485 1.126 -9.801 953 HB3 PHE 95 1HB PHE 95 -0.949 2.103 -9.502 954 HD1 PHE 95 1HD PHE 95 -2.457 1.482 -12.022 955 HD2 PHE 95 2HD PHE 95 -0.310 -1.020 -9.330 956 HE1 PHE 95 1HE PHE 95 -3.882 -0.420 -12.658 957 HE2 PHE 95 2HE PHE 95 -1.731 -2.926 -9.963 958 HZ PHE 95 HZ PHE 95 -3.519 -2.628 -11.629 959 H GLU 96 H GLU 96 0.066 4.533 -9.996 960 HA GLU 96 HA GLU 96 2.858 5.116 -10.617 961 HB2 GLU 96 2HB GLU 96 0.993 6.857 -10.713 962 HB3 GLU 96 1HB GLU 96 0.994 6.803 -8.955 963 HG2 GLU 96 2HG GLU 96 3.277 7.553 -8.883 964 HG3 GLU 96 1HG GLU 96 3.395 7.473 -10.640 965 H ASP 97 H ASP 97 4.445 5.430 -9.034 966 HA ASP 97 HA ASP 97 3.976 3.906 -6.584 967 HB2 ASP 97 2HB ASP 97 6.496 4.046 -6.381 968 HB3 ASP 97 1HB ASP 97 5.897 3.162 -7.782 969 H VAL 98 H VAL 98 4.965 4.688 -4.562 970 HA VAL 98 HA VAL 98 4.938 7.629 -4.367 971 HB VAL 98 HB VAL 98 3.899 5.811 -2.198 972 HG11 VAL 98 1HG1 VAL 98 2.690 8.065 -1.684 973 HG12 VAL 98 2HG1 VAL 98 3.986 8.758 -2.660 974 HG13 VAL 98 3HG1 VAL 98 4.373 7.836 -1.208 975 HG21 VAL 98 3HG2 VAL 98 2.583 5.643 -4.355 976 HG22 VAL 98 1HG2 VAL 98 2.173 7.343 -4.127 977 HG23 VAL 98 2HG2 VAL 98 1.678 6.147 -2.929 978 H THR 99 H THR 99 6.047 8.437 -2.379 979 HA THR 99 HA THR 99 8.674 7.707 -2.237 980 HB THR 99 HB THR 99 7.752 9.779 -1.273 981 HG1 THR 99 1HG THR 99 9.815 8.858 -0.574 982 HG21 THR 99 3HG2 THR 99 5.817 9.180 -0.112 983 HG22 THR 99 1HG2 THR 99 6.975 9.631 1.139 984 HG23 THR 99 2HG2 THR 99 6.651 7.929 0.810 985 H ASP 100 H ASP 100 9.921 6.292 -1.109 986 HA ASP 100 HA ASP 100 8.498 4.151 0.296 987 HB2 ASP 100 2HB ASP 100 11.366 4.201 -0.668 988 HB3 ASP 100 1HB ASP 100 10.483 2.801 -0.067 989 H GLY 101 H GLY 101 10.370 3.077 1.901 990 HA2 GLY 101 2HA GLY 101 10.637 5.138 3.963 991 HA3 GLY 101 1HA GLY 101 10.732 3.402 4.216 992 H ASN 102 H ASN 102 12.654 2.408 2.863 993 HA ASN 102 HA ASN 102 14.974 4.086 2.636 994 HB2 ASN 102 2HB ASN 102 14.528 3.300 5.173 995 HB3 ASN 102 1HB ASN 102 15.424 1.900 4.592 996 HD21 ASN 102 1HD2 ASN 102 15.555 5.251 5.399 997 HD22 ASN 102 2HD2 ASN 102 17.268 5.432 5.278 998 H GLU 103 H GLU 103 17.001 2.413 2.529 999 HA GLU 103 HA GLU 103 16.157 0.130 0.878 1000 HB2 GLU 103 2HB GLU 103 17.924 0.612 -0.733 1001 HB3 GLU 103 1HB GLU 103 16.816 1.972 -0.610 1002 HG2 GLU 103 2HG GLU 103 18.430 3.081 0.909 1003 HG3 GLU 103 1HG GLU 103 19.554 1.754 0.616 1004 H VAL 104 H VAL 104 18.857 1.667 2.600 1005 HA VAL 104 HA VAL 104 19.620 -0.945 3.651 1006 HB VAL 104 HB VAL 104 21.002 -0.689 1.642 1007 HG11 VAL 104 1HG1 VAL 104 22.857 1.239 2.153 1008 HG12 VAL 104 2HG1 VAL 104 21.378 2.003 2.733 1009 HG13 VAL 104 3HG1 VAL 104 21.478 1.426 1.069 1010 HG21 VAL 104 3HG2 VAL 104 22.567 -0.347 4.199 1011 HG22 VAL 104 1HG2 VAL 104 23.188 -1.015 2.689 1012 HG23 VAL 104 2HG2 VAL 104 21.920 -1.864 3.574 Start of MODEL 7 1 H2 PRO 1 1HT PRO 1 -9.770 14.829 4.573 2 H3 PRO 1 2HT PRO 1 -9.006 13.999 3.375 3 HA PRO 1 HA PRO 1 -7.306 13.574 4.496 4 HB2 PRO 1 2HB PRO 1 -6.882 15.706 6.318 5 HB3 PRO 1 1HB PRO 1 -5.968 15.345 4.848 6 HG2 PRO 1 2HG PRO 1 -8.218 17.241 5.260 7 HG3 PRO 1 1HG PRO 1 -6.839 17.352 4.152 8 HD2 PRO 1 2HD PRO 1 -9.272 16.768 3.233 9 HD3 PRO 1 1HD PRO 1 -7.839 15.958 2.570 10 H SER 2 H SER 2 -9.802 12.739 5.208 11 HA SER 2 HA SER 2 -10.211 13.155 8.042 12 HB2 SER 2 2HB SER 2 -11.634 11.528 5.943 13 HB3 SER 2 1HB SER 2 -12.034 11.384 7.654 14 HG SER 2 HG SER 2 -12.027 13.833 6.221 15 H HIS 3 H HIS 3 -7.993 11.409 6.436 16 HA HIS 3 HA HIS 3 -6.655 9.647 6.955 17 HB2 HIS 3 2HB HIS 3 -7.846 10.361 9.604 18 HB3 HIS 3 1HB HIS 3 -6.897 8.885 9.470 19 HD1 HIS 3 1HD HIS 3 -6.436 12.534 8.461 20 HD2 HIS 3 2HD HIS 3 -4.301 9.334 10.032 21 HE1 HIS 3 1HE HIS 3 -4.124 13.420 8.900 22 HE2 HIS 3 2HE HIS 3 -2.827 11.443 9.769 23 H SER 4 H SER 4 -9.134 9.082 5.737 24 HA SER 4 HA SER 4 -9.257 6.311 5.981 25 HB2 SER 4 2HB SER 4 -11.529 6.073 7.033 26 HB3 SER 4 1HB SER 4 -10.264 6.591 8.147 27 HG SER 4 HG SER 4 -11.034 8.787 7.675 28 H GLY 5 H GLY 5 -10.291 5.451 4.263 29 HA2 GLY 5 2HA GLY 5 -12.368 6.981 2.897 30 HA3 GLY 5 1HA GLY 5 -10.901 6.644 1.984 31 H ALA 6 H ALA 6 -13.556 5.730 1.353 32 HA ALA 6 HA ALA 6 -13.837 3.009 2.147 33 HB1 ALA 6 1HB ALA 6 -15.134 4.711 0.053 34 HB2 ALA 6 2HB ALA 6 -15.832 4.015 1.518 35 HB3 ALA 6 3HB ALA 6 -15.449 2.976 0.143 36 H ALA 7 H ALA 7 -12.256 1.628 1.668 37 HA ALA 7 HA ALA 7 -11.180 1.624 -1.076 38 HB1 ALA 7 1HB ALA 7 -9.606 1.954 0.906 39 HB2 ALA 7 2HB ALA 7 -9.178 0.693 -0.253 40 HB3 ALA 7 3HB ALA 7 -9.917 0.260 1.287 41 H ILE 8 H ILE 8 -10.609 -0.508 -1.967 42 HA ILE 8 HA ILE 8 -12.630 -2.518 -1.221 43 HB ILE 8 HB ILE 8 -11.371 -2.067 -3.925 44 HG12 ILE 8 2HG1 ILE 8 -13.748 -0.942 -2.584 45 HG13 ILE 8 1HG1 ILE 8 -12.787 -0.290 -3.904 46 HG21 ILE 8 1HG2 ILE 8 -12.099 -4.418 -3.342 47 HG22 ILE 8 2HG2 ILE 8 -12.848 -3.714 -4.773 48 HG23 ILE 8 3HG2 ILE 8 -13.745 -3.792 -3.259 49 HD11 ILE 8 3HD1 ILE 8 -13.946 -1.737 -5.473 50 HD12 ILE 8 1HD1 ILE 8 -15.077 -0.722 -4.578 51 HD13 ILE 8 2HD1 ILE 8 -14.890 -2.422 -4.150 52 H PHE 9 H PHE 9 -12.056 -4.675 -1.114 53 HA PHE 9 HA PHE 9 -9.292 -5.432 -1.645 54 HB2 PHE 9 2HB PHE 9 -9.387 -4.660 0.737 55 HB3 PHE 9 1HB PHE 9 -10.567 -5.927 1.054 56 HD1 PHE 9 2HD PHE 9 -7.065 -5.256 0.131 57 HD2 PHE 9 1HD PHE 9 -9.903 -8.182 1.352 58 HE1 PHE 9 2HE PHE 9 -5.236 -6.841 0.570 59 HE2 PHE 9 1HE PHE 9 -8.079 -9.773 1.794 60 HZ PHE 9 HZ PHE 9 -5.742 -9.104 1.402 61 H GLU 10 H GLU 10 -9.081 -7.542 -2.257 62 HA GLU 10 HA GLU 10 -9.733 -9.561 -3.087 63 HB2 GLU 10 2HB GLU 10 -11.109 -9.348 -0.456 64 HB3 GLU 10 1HB GLU 10 -11.601 -10.654 -1.527 65 HG2 GLU 10 2HG GLU 10 -8.700 -10.305 -1.138 66 HG3 GLU 10 1HG GLU 10 -9.620 -10.867 0.256 67 H LYS 11 H LYS 11 -11.160 -7.135 -3.960 68 HA LYS 11 HA LYS 11 -12.715 -6.756 -5.594 69 HB2 LYS 11 2HB LYS 11 -14.022 -9.407 -5.047 70 HB3 LYS 11 1HB LYS 11 -14.042 -8.459 -6.527 71 HG2 LYS 11 2HG LYS 11 -11.372 -8.954 -6.186 72 HG3 LYS 11 1HG LYS 11 -12.117 -10.438 -5.590 73 HD2 LYS 11 2HD LYS 11 -13.553 -10.134 -7.814 74 HD3 LYS 11 1HD LYS 11 -12.094 -9.280 -8.323 75 HE2 LYS 11 2HE LYS 11 -11.887 -11.976 -7.046 76 HE3 LYS 11 1HE LYS 11 -12.315 -11.838 -8.751 77 HZ1 LYS 11 3HZ LYS 11 -9.910 -10.562 -7.578 78 HZ2 LYS 11 1HZ LYS 11 -10.280 -10.756 -9.218 79 HZ3 LYS 11 2HZ LYS 11 -9.891 -12.104 -8.273 80 H VAL 12 H VAL 12 -13.237 -7.206 -2.360 81 HA VAL 12 HA VAL 12 -16.051 -6.393 -2.525 82 HB VAL 12 HB VAL 12 -15.496 -8.354 -1.091 83 HG11 VAL 12 1HG1 VAL 12 -13.567 -8.139 0.042 84 HG12 VAL 12 2HG1 VAL 12 -14.624 -7.446 1.269 85 HG13 VAL 12 3HG1 VAL 12 -13.716 -6.390 0.193 86 HG21 VAL 12 3HG2 VAL 12 -17.264 -7.876 0.193 87 HG22 VAL 12 1HG2 VAL 12 -17.290 -6.340 -0.673 88 HG23 VAL 12 2HG2 VAL 12 -16.489 -6.456 0.894 89 H SER 13 H SER 13 -16.719 -4.431 -1.816 90 HA SER 13 HA SER 13 -14.630 -2.495 -1.274 91 HB2 SER 13 2HB SER 13 -16.566 -0.853 -1.374 92 HB3 SER 13 1HB SER 13 -16.242 -1.752 -2.855 93 HG SER 13 HG SER 13 -18.399 -1.915 -1.105 94 H GLY 14 H GLY 14 -14.196 -1.589 0.627 95 HA2 GLY 14 2HA GLY 14 -16.112 -1.953 2.832 96 HA3 GLY 14 1HA GLY 14 -14.428 -2.413 3.043 97 H ILE 15 H ILE 15 -13.765 -0.973 4.535 98 HA ILE 15 HA ILE 15 -13.716 1.837 3.699 99 HB ILE 15 HB ILE 15 -14.247 1.117 6.567 100 HG12 ILE 15 2HG1 ILE 15 -16.075 0.263 5.044 101 HG13 ILE 15 1HG1 ILE 15 -16.592 1.419 6.267 102 HG21 ILE 15 1HG2 ILE 15 -14.283 3.621 4.928 103 HG22 ILE 15 2HG2 ILE 15 -13.449 3.292 6.455 104 HG23 ILE 15 3HG2 ILE 15 -15.203 3.515 6.431 105 HD11 ILE 15 3HD1 ILE 15 -16.934 3.096 4.703 106 HD12 ILE 15 1HD1 ILE 15 -17.503 1.639 3.885 107 HD13 ILE 15 2HD1 ILE 15 -15.917 2.310 3.495 108 H ILE 16 H ILE 16 -11.695 2.510 3.694 109 HA ILE 16 HA ILE 16 -9.733 1.103 5.341 110 HB ILE 16 HB ILE 16 -9.667 2.417 2.739 111 HG12 ILE 16 2HG1 ILE 16 -7.870 0.468 4.184 112 HG13 ILE 16 1HG1 ILE 16 -9.147 0.075 3.040 113 HG21 ILE 16 1HG2 ILE 16 -8.467 4.155 4.014 114 HG22 ILE 16 2HG2 ILE 16 -7.461 3.337 2.820 115 HG23 ILE 16 3HG2 ILE 16 -7.306 2.930 4.530 116 HD11 ILE 16 3HD1 ILE 16 -7.706 0.178 1.371 117 HD12 ILE 16 1HD1 ILE 16 -6.417 0.527 2.524 118 HD13 ILE 16 2HD1 ILE 16 -7.317 1.849 1.780 119 H ALA 17 H ALA 17 -9.050 1.971 7.169 120 HA ALA 17 HA ALA 17 -9.039 4.885 7.452 121 HB1 ALA 17 1HB ALA 17 -10.158 3.183 9.652 122 HB2 ALA 17 2HB ALA 17 -11.184 3.803 8.352 123 HB3 ALA 17 3HB ALA 17 -10.313 4.924 9.406 124 H ILE 18 H ILE 18 -7.300 5.651 8.471 125 HA ILE 18 HA ILE 18 -5.261 3.793 9.314 126 HB ILE 18 HB ILE 18 -5.194 6.811 9.366 127 HG12 ILE 18 2HG1 ILE 18 -3.700 6.229 7.244 128 HG13 ILE 18 1HG1 ILE 18 -4.753 4.819 7.190 129 HG21 ILE 18 1HG2 ILE 18 -3.511 5.393 10.720 130 HG22 ILE 18 2HG2 ILE 18 -2.900 6.679 9.679 131 HG23 ILE 18 3HG2 ILE 18 -2.821 5.001 9.145 132 HD11 ILE 18 3HD1 ILE 18 -5.337 7.028 5.898 133 HD12 ILE 18 1HD1 ILE 18 -6.005 7.494 7.462 134 HD13 ILE 18 2HD1 ILE 18 -6.592 6.043 6.649 135 H ASN 19 H ASN 19 -4.740 3.243 11.326 136 HA ASN 19 HA ASN 19 -6.226 4.455 13.536 137 HB2 ASN 19 2HB ASN 19 -5.822 1.854 12.987 138 HB3 ASN 19 1HB ASN 19 -4.419 2.148 14.009 139 HD21 ASN 19 1HD2 ASN 19 -5.199 0.834 15.642 140 HD22 ASN 19 2HD2 ASN 19 -6.518 1.302 16.655 141 H GLU 20 H GLU 20 -5.127 6.358 13.904 142 HA GLU 20 HA GLU 20 -2.258 6.219 14.445 143 HB2 GLU 20 2HB GLU 20 -4.188 8.417 13.857 144 HB3 GLU 20 1HB GLU 20 -2.746 8.803 14.784 145 HG2 GLU 20 2HG GLU 20 -1.605 7.451 12.792 146 HG3 GLU 20 1HG GLU 20 -3.033 8.042 11.945 147 H ASP 21 H ASP 21 -4.360 5.093 16.233 148 HA ASP 21 HA ASP 21 -3.961 6.762 18.615 149 HB2 ASP 21 2HB ASP 21 -6.273 5.710 17.703 150 HB3 ASP 21 1HB ASP 21 -5.743 4.396 18.748 151 H VAL 22 H VAL 22 -2.666 4.094 17.083 152 HA VAL 22 HA VAL 22 -1.876 2.809 19.611 153 HB VAL 22 HB VAL 22 -1.185 0.895 18.290 154 HG11 VAL 22 1HG1 VAL 22 -3.878 1.677 17.223 155 HG12 VAL 22 2HG1 VAL 22 -3.628 1.314 18.931 156 HG13 VAL 22 3HG1 VAL 22 -3.301 0.083 17.711 157 HG21 VAL 22 3HG2 VAL 22 -0.331 1.768 16.298 158 HG22 VAL 22 1HG2 VAL 22 -1.798 2.689 15.962 159 HG23 VAL 22 2HG2 VAL 22 -1.802 0.933 15.797 160 H SER 23 H SER 23 0.471 1.671 19.119 161 HA SER 23 HA SER 23 2.299 3.831 19.202 162 HB2 SER 23 2HB SER 23 2.420 0.937 19.531 163 HB3 SER 23 1HB SER 23 3.836 1.567 18.689 164 HG SER 23 HG SER 23 3.762 1.522 21.134 165 HA PRO 24 HA PRO 24 3.548 2.814 14.780 166 HB2 PRO 24 2HB PRO 24 3.184 0.447 13.665 167 HB3 PRO 24 1HB PRO 24 4.385 0.637 14.950 168 HG2 PRO 24 2HG PRO 24 1.650 -0.551 15.071 169 HG3 PRO 24 1HG PRO 24 3.130 -1.058 15.902 170 HD2 PRO 24 2HD PRO 24 1.074 0.527 16.988 171 HD3 PRO 24 1HD PRO 24 2.695 0.296 17.668 172 H ALA 25 H ALA 25 2.155 4.176 13.756 173 HA ALA 25 HA ALA 25 -0.571 3.987 13.513 174 HB1 ALA 25 1HB ALA 25 1.542 5.425 12.056 175 HB2 ALA 25 2HB ALA 25 0.042 6.017 12.772 176 HB3 ALA 25 3HB ALA 25 0.016 5.236 11.190 177 H GLU 26 H GLU 26 -1.792 2.438 12.717 178 HA GLU 26 HA GLU 26 -0.822 0.890 10.406 179 HB2 GLU 26 2HB GLU 26 -2.504 -0.821 11.189 180 HB3 GLU 26 1HB GLU 26 -1.132 -0.560 12.257 181 HG2 GLU 26 2HG GLU 26 -2.499 0.841 13.699 182 HG3 GLU 26 1HG GLU 26 -3.874 0.630 12.615 183 H LEU 27 H LEU 27 -2.611 0.005 9.025 184 HA LEU 27 HA LEU 27 -4.717 2.019 8.611 185 HB2 LEU 27 2HB LEU 27 -3.068 2.049 6.817 186 HB3 LEU 27 1HB LEU 27 -3.236 0.320 6.599 187 HG LEU 27 HG LEU 27 -5.800 1.601 6.298 188 HD11 LEU 27 1HD1 LEU 27 -4.478 3.562 5.666 189 HD12 LEU 27 2HD1 LEU 27 -5.341 2.886 4.285 190 HD13 LEU 27 3HD1 LEU 27 -3.612 2.591 4.475 191 HD21 LEU 27 3HD2 LEU 27 -4.513 -0.607 5.341 192 HD22 LEU 27 1HD2 LEU 27 -4.476 0.471 3.942 193 HD23 LEU 27 2HD2 LEU 27 -6.017 0.053 4.691 194 H THR 28 H THR 28 -6.581 1.157 9.353 195 HA THR 28 HA THR 28 -6.982 -1.733 9.107 196 HB THR 28 HB THR 28 -8.794 0.097 10.639 197 HG1 THR 28 1HG THR 28 -7.158 0.614 11.829 198 HG21 THR 28 3HG2 THR 28 -9.299 -1.744 11.955 199 HG22 THR 28 1HG2 THR 28 -7.868 -2.631 11.434 200 HG23 THR 28 2HG2 THR 28 -9.219 -2.406 10.323 201 H TRP 29 H TRP 29 -8.129 -2.483 7.486 202 HA TRP 29 HA TRP 29 -10.062 -0.792 6.128 203 HB2 TRP 29 2HB TRP 29 -8.529 -1.962 4.674 204 HB3 TRP 29 1HB TRP 29 -8.890 -3.499 5.456 205 HD1 TRP 29 HD TRP 29 -10.698 -0.824 3.361 206 HE1 TRP 29 1HE TRP 29 -12.503 -1.990 1.925 207 HE3 TRP 29 3HE TRP 29 -10.172 -5.571 5.142 208 HZ2 TRP 29 2HZ TRP 29 -13.560 -4.598 1.614 209 HZ3 TRP 29 3HZ TRP 29 -11.620 -7.343 4.241 210 HH2 TRP 29 HH TRP 29 -13.274 -6.865 2.516 211 H ARG 30 H ARG 30 -12.049 -0.817 6.983 212 HA ARG 30 HA ARG 30 -13.092 -3.372 8.017 213 HB2 ARG 30 2HB ARG 30 -13.973 -0.544 8.647 214 HB3 ARG 30 1HB ARG 30 -14.703 -2.004 9.302 215 HG2 ARG 30 2HG ARG 30 -12.528 -2.569 10.343 216 HG3 ARG 30 1HG ARG 30 -11.897 -1.023 9.772 217 HD2 ARG 30 2HD ARG 30 -14.151 -0.204 11.009 218 HD3 ARG 30 1HD ARG 30 -13.755 -1.619 11.982 219 HE ARG 30 HE ARG 30 -11.978 -0.474 12.856 220 HH11 ARG 30 1HH1 ARG 30 -13.069 1.174 9.980 221 HH12 ARG 30 2HH1 ARG 30 -12.037 2.543 10.221 222 HH21 ARG 30 1HH2 ARG 30 -10.620 1.326 13.176 223 HH22 ARG 30 2HH2 ARG 30 -10.646 2.629 12.035 224 H SER 31 H SER 31 -14.456 -4.363 6.689 225 HA SER 31 HA SER 31 -15.402 -3.469 4.292 226 HB2 SER 31 2HB SER 31 -17.239 -5.193 4.559 227 HB3 SER 31 1HB SER 31 -15.598 -5.788 4.813 228 HG SER 31 HG SER 31 -15.954 -5.636 7.050 229 H THR 32 H THR 32 -17.725 -3.095 3.645 230 HA THR 32 HA THR 32 -18.696 -0.778 4.979 231 HB THR 32 HB THR 32 -20.620 -1.872 3.169 232 HG1 THR 32 1HG THR 32 -19.439 -2.366 1.449 233 HG21 THR 32 3HG2 THR 32 -20.248 0.527 3.571 234 HG22 THR 32 1HG2 THR 32 -20.201 0.094 1.862 235 HG23 THR 32 2HG2 THR 32 -18.699 0.396 2.737 236 H ASP 33 H ASP 33 -19.685 -4.101 4.666 237 HA ASP 33 HA ASP 33 -21.981 -3.711 6.368 238 HB2 ASP 33 2HB ASP 33 -20.969 -5.918 4.660 239 HB3 ASP 33 1HB ASP 33 -21.983 -6.359 6.029 240 H GLY 34 H GLY 34 -18.796 -5.114 6.511 241 HA2 GLY 34 2HA GLY 34 -17.626 -5.124 8.627 242 HA3 GLY 34 1HA GLY 34 -19.159 -5.461 9.416 243 H ASP 35 H ASP 35 -18.353 -7.120 6.485 244 HA ASP 35 HA ASP 35 -18.129 -9.610 8.011 245 HB2 ASP 35 2HB ASP 35 -18.987 -8.945 5.222 246 HB3 ASP 35 1HB ASP 35 -18.378 -10.561 5.570 247 H LYS 36 H LYS 36 -16.253 -7.413 6.184 248 HA LYS 36 HA LYS 36 -14.032 -9.345 6.176 249 HB2 LYS 36 2HB LYS 36 -14.503 -7.260 4.043 250 HB3 LYS 36 1HB LYS 36 -13.237 -8.478 4.067 251 HG2 LYS 36 2HG LYS 36 -15.406 -10.059 4.216 252 HG3 LYS 36 1HG LYS 36 -16.070 -8.702 3.304 253 HD2 LYS 36 2HD LYS 36 -15.220 -9.786 1.525 254 HD3 LYS 36 1HD LYS 36 -13.696 -9.063 2.042 255 HE2 LYS 36 2HE LYS 36 -13.611 -11.226 3.564 256 HE3 LYS 36 1HE LYS 36 -14.664 -11.863 2.301 257 HZ1 LYS 36 3HZ LYS 36 -11.887 -10.880 2.051 258 HZ2 LYS 36 1HZ LYS 36 -12.901 -11.014 0.702 259 HZ3 LYS 36 2HZ LYS 36 -12.516 -12.388 1.611 260 H VAL 37 H VAL 37 -12.063 -8.601 6.811 261 HA VAL 37 HA VAL 37 -11.726 -5.747 7.312 262 HB VAL 37 HB VAL 37 -12.513 -7.387 9.374 263 HG11 VAL 37 1HG1 VAL 37 -9.545 -6.984 9.707 264 HG12 VAL 37 2HG1 VAL 37 -10.311 -8.526 9.329 265 HG13 VAL 37 3HG1 VAL 37 -10.656 -7.722 10.860 266 HG21 VAL 37 3HG2 VAL 37 -10.914 -4.838 9.486 267 HG22 VAL 37 1HG2 VAL 37 -11.834 -5.514 10.830 268 HG23 VAL 37 2HG2 VAL 37 -12.667 -4.987 9.368 269 H HIS 38 H HIS 38 -9.551 -5.071 7.454 270 HA HIS 38 HA HIS 38 -7.403 -6.981 7.283 271 HB2 HIS 38 2HB HIS 38 -8.244 -6.949 4.950 272 HB3 HIS 38 1HB HIS 38 -7.964 -5.212 4.894 273 HD1 HIS 38 1HD HIS 38 -6.261 -8.469 4.557 274 HD2 HIS 38 2HD HIS 38 -5.202 -4.465 4.881 275 HE1 HIS 38 1HE HIS 38 -3.846 -8.355 3.867 276 HE2 HIS 38 2HE HIS 38 -3.203 -5.936 4.153 277 H THR 39 H THR 39 -5.900 -6.118 8.549 278 HA THR 39 HA THR 39 -5.671 -3.192 8.679 279 HB THR 39 HB THR 39 -4.588 -5.249 10.610 280 HG1 THR 39 1HG THR 39 -6.362 -4.728 11.874 281 HG21 THR 39 3HG2 THR 39 -3.444 -3.526 11.421 282 HG22 THR 39 1HG2 THR 39 -5.000 -2.919 11.987 283 HG23 THR 39 2HG2 THR 39 -4.341 -2.359 10.450 284 H VAL 40 H VAL 40 -3.696 -2.156 8.513 285 HA VAL 40 HA VAL 40 -1.404 -3.765 7.616 286 HB VAL 40 HB VAL 40 -2.690 -1.472 6.205 287 HG11 VAL 40 1HG1 VAL 40 -0.513 -0.560 6.534 288 HG12 VAL 40 2HG1 VAL 40 -0.576 -1.174 4.881 289 HG13 VAL 40 3HG1 VAL 40 0.254 -2.097 6.135 290 HG21 VAL 40 3HG2 VAL 40 -1.604 -4.161 5.531 291 HG22 VAL 40 1HG2 VAL 40 -1.805 -2.948 4.264 292 HG23 VAL 40 2HG2 VAL 40 -3.204 -3.483 5.198 293 H VAL 41 H VAL 41 0.529 -3.118 8.382 294 HA VAL 41 HA VAL 41 0.445 -0.802 10.173 295 HB VAL 41 HB VAL 41 2.370 -3.127 10.125 296 HG11 VAL 41 1HG1 VAL 41 2.901 -1.823 12.443 297 HG12 VAL 41 2HG1 VAL 41 2.583 -0.464 11.366 298 HG13 VAL 41 3HG1 VAL 41 3.842 -1.630 10.963 299 HG21 VAL 41 3HG2 VAL 41 0.016 -2.323 11.748 300 HG22 VAL 41 1HG2 VAL 41 1.346 -3.150 12.566 301 HG23 VAL 41 2HG2 VAL 41 0.526 -3.927 11.211 302 H LEU 42 H LEU 42 1.010 0.994 9.210 303 HA LEU 42 HA LEU 42 2.527 1.272 6.905 304 HB2 LEU 42 2HB LEU 42 1.903 3.172 9.147 305 HB3 LEU 42 1HB LEU 42 2.865 3.665 7.769 306 HG LEU 42 HG LEU 42 0.563 4.355 7.468 307 HD11 LEU 42 1HD1 LEU 42 2.098 3.155 5.617 308 HD12 LEU 42 2HD1 LEU 42 0.517 3.861 5.272 309 HD13 LEU 42 3HD1 LEU 42 0.667 2.125 5.547 310 HD21 LEU 42 3HD2 LEU 42 -1.285 2.911 7.488 311 HD22 LEU 42 1HD2 LEU 42 -0.334 2.428 8.894 312 HD23 LEU 42 2HD2 LEU 42 -0.270 1.470 7.415 313 H SER 43 H SER 43 3.567 0.745 10.156 314 HA SER 43 HA SER 43 6.155 1.847 9.991 315 HB2 SER 43 2HB SER 43 5.277 -0.502 11.680 316 HB3 SER 43 1HB SER 43 6.668 0.543 11.969 317 HG SER 43 HG SER 43 3.935 1.309 12.027 318 H THR 44 H THR 44 4.796 -1.127 8.866 319 HA THR 44 HA THR 44 7.434 -2.215 8.228 320 HB THR 44 HB THR 44 6.458 -4.298 8.019 321 HG1 THR 44 1HG THR 44 4.001 -3.013 7.430 322 HG21 THR 44 3HG2 THR 44 5.962 -3.356 10.307 323 HG22 THR 44 1HG2 THR 44 4.961 -4.710 9.781 324 HG23 THR 44 2HG2 THR 44 4.324 -3.065 9.722 325 H ILE 45 H ILE 45 4.573 -0.918 6.773 326 HA ILE 45 HA ILE 45 4.750 -1.643 4.155 327 HB ILE 45 HB ILE 45 4.057 1.090 5.235 328 HG12 ILE 45 2HG1 ILE 45 2.562 -0.546 6.112 329 HG13 ILE 45 1HG1 ILE 45 1.711 0.240 4.787 330 HG21 ILE 45 1HG2 ILE 45 2.895 1.467 3.110 331 HG22 ILE 45 2HG2 ILE 45 3.529 -0.060 2.497 332 HG23 ILE 45 3HG2 ILE 45 4.631 1.263 2.877 333 HD11 ILE 45 3HD1 ILE 45 2.744 -2.530 5.004 334 HD12 ILE 45 1HD1 ILE 45 2.710 -1.773 3.413 335 HD13 ILE 45 2HD1 ILE 45 1.222 -1.936 4.344 336 H ASP 46 H ASP 46 6.557 -1.809 3.011 337 HA ASP 46 HA ASP 46 8.829 -0.167 3.312 338 HB2 ASP 46 2HB ASP 46 8.618 -2.544 2.296 339 HB3 ASP 46 1HB ASP 46 8.238 -1.701 0.797 340 H LYS 47 H LYS 47 6.150 -0.122 0.980 341 HA LYS 47 HA LYS 47 6.706 2.666 0.430 342 HB2 LYS 47 2HB LYS 47 6.592 0.796 -1.926 343 HB3 LYS 47 1HB LYS 47 7.066 2.487 -1.898 344 HG2 LYS 47 2HG LYS 47 9.077 1.870 -0.608 345 HG3 LYS 47 1HG LYS 47 8.611 0.173 -0.748 346 HD2 LYS 47 2HD LYS 47 8.499 0.930 -3.340 347 HD3 LYS 47 1HD LYS 47 9.777 1.996 -2.752 348 HE2 LYS 47 2HE LYS 47 11.192 0.257 -2.263 349 HE3 LYS 47 1HE LYS 47 9.873 -0.886 -2.013 350 HZ1 LYS 47 3HZ LYS 47 11.303 -1.124 -4.101 351 HZ2 LYS 47 1HZ LYS 47 10.442 0.207 -4.695 352 HZ3 LYS 47 2HZ LYS 47 9.623 -1.215 -4.282 353 H LEU 48 H LEU 48 5.020 3.714 -0.766 354 HA LEU 48 HA LEU 48 2.454 2.280 -0.590 355 HB2 LEU 48 2HB LEU 48 2.332 4.069 0.897 356 HB3 LEU 48 1HB LEU 48 3.228 5.143 -0.155 357 HG LEU 48 HG LEU 48 1.045 4.838 -1.670 358 HD11 LEU 48 1HD1 LEU 48 -0.935 4.868 -0.158 359 HD12 LEU 48 2HD1 LEU 48 0.126 4.349 1.152 360 HD13 LEU 48 3HD1 LEU 48 -0.117 3.309 -0.252 361 HD21 LEU 48 3HD2 LEU 48 0.603 6.993 -1.139 362 HD22 LEU 48 1HD2 LEU 48 2.159 6.858 -0.321 363 HD23 LEU 48 2HD2 LEU 48 0.662 6.693 0.597 364 H GLN 49 H GLN 49 0.896 2.669 -2.253 365 HA GLN 49 HA GLN 49 1.975 3.794 -4.742 366 HB2 GLN 49 2HB GLN 49 1.058 1.019 -4.242 367 HB3 GLN 49 1HB GLN 49 0.551 1.753 -5.757 368 HG2 GLN 49 2HG GLN 49 2.677 1.850 -6.586 369 HG3 GLN 49 1HG GLN 49 3.415 1.928 -4.987 370 HE21 GLN 49 1HE2 GLN 49 2.829 -0.143 -3.649 371 HE22 GLN 49 2HE2 GLN 49 3.146 -1.637 -4.477 372 H ALA 50 H ALA 50 0.433 4.587 -6.206 373 HA ALA 50 HA ALA 50 -2.375 4.444 -5.640 374 HB1 ALA 50 1HB ALA 50 -1.741 6.096 -3.974 375 HB2 ALA 50 2HB ALA 50 -2.709 6.841 -5.246 376 HB3 ALA 50 3HB ALA 50 -0.961 7.074 -5.217 377 H THR 51 H THR 51 -3.511 4.714 -7.460 378 HA THR 51 HA THR 51 -2.078 5.366 -9.897 379 HB THR 51 HB THR 51 -4.055 4.602 -11.053 380 HG1 THR 51 1HG THR 51 -5.248 4.827 -8.512 381 HG21 THR 51 3HG2 THR 51 -2.919 2.963 -8.916 382 HG22 THR 51 1HG2 THR 51 -3.166 2.602 -10.624 383 HG23 THR 51 2HG2 THR 51 -4.502 2.438 -9.486 384 HA PRO 52 HA PRO 52 -3.166 9.743 -9.272 385 HB2 PRO 52 2HB PRO 52 -2.069 10.315 -11.787 386 HB3 PRO 52 1HB PRO 52 -1.231 10.427 -10.235 387 HG2 PRO 52 2HG PRO 52 -1.280 8.174 -12.203 388 HG3 PRO 52 1HG PRO 52 0.092 8.822 -11.282 389 HD2 PRO 52 2HD PRO 52 -1.030 6.580 -10.520 390 HD3 PRO 52 1HD PRO 52 -0.650 7.811 -9.292 391 H ALA 53 H ALA 53 -4.451 11.259 -10.535 392 HA ALA 53 HA ALA 53 -6.801 10.179 -11.545 393 HB1 ALA 53 1HB ALA 53 -6.202 12.593 -10.740 394 HB2 ALA 53 2HB ALA 53 -7.497 12.339 -11.910 395 HB3 ALA 53 3HB ALA 53 -5.907 12.874 -12.457 396 H SER 54 H SER 54 -3.760 10.523 -13.101 397 HA SER 54 HA SER 54 -4.693 10.750 -15.779 398 HB2 SER 54 2HB SER 54 -2.316 11.202 -14.769 399 HB3 SER 54 1HB SER 54 -2.061 9.489 -15.102 400 HG SER 54 HG SER 54 -1.437 10.543 -16.922 401 H SER 55 H SER 55 -4.441 8.137 -13.571 402 HA SER 55 HA SER 55 -4.506 6.115 -15.665 403 HB2 SER 55 2HB SER 55 -4.064 6.122 -12.730 404 HB3 SER 55 1HB SER 55 -4.826 4.683 -13.405 405 HG SER 55 HG SER 55 -2.245 5.518 -13.575 406 H GLU 56 H GLU 56 -6.332 5.345 -16.484 407 HA GLU 56 HA GLU 56 -8.867 6.258 -15.753 408 HB2 GLU 56 2HB GLU 56 -7.860 4.045 -17.482 409 HB3 GLU 56 1HB GLU 56 -9.572 4.091 -17.086 410 HG2 GLU 56 2HG GLU 56 -9.531 6.497 -17.915 411 HG3 GLU 56 1HG GLU 56 -7.952 6.109 -18.596 412 H LYS 57 H LYS 57 -6.966 3.669 -14.513 413 HA LYS 57 HA LYS 57 -9.258 2.544 -13.076 414 HB2 LYS 57 2HB LYS 57 -6.479 1.427 -12.925 415 HB3 LYS 57 1HB LYS 57 -8.017 0.596 -12.750 416 HG2 LYS 57 2HG LYS 57 -6.737 1.580 -15.286 417 HG3 LYS 57 1HG LYS 57 -7.062 -0.088 -14.810 418 HD2 LYS 57 2HD LYS 57 -9.140 2.023 -15.386 419 HD3 LYS 57 1HD LYS 57 -8.684 0.702 -16.464 420 HE2 LYS 57 2HE LYS 57 -9.529 -0.930 -14.944 421 HE3 LYS 57 1HE LYS 57 -9.756 0.280 -13.681 422 HZ1 LYS 57 3HZ LYS 57 -11.610 1.130 -14.701 423 HZ2 LYS 57 1HZ LYS 57 -11.761 -0.509 -15.097 424 HZ3 LYS 57 2HZ LYS 57 -11.168 0.587 -16.240 425 H MET 58 H MET 58 -9.505 2.718 -10.916 426 HA MET 58 HA MET 58 -7.517 4.343 -9.483 427 HB2 MET 58 2HB MET 58 -10.347 3.801 -8.602 428 HB3 MET 58 1HB MET 58 -9.261 5.062 -8.036 429 HG2 MET 58 2HG MET 58 -9.385 5.674 -10.656 430 HG3 MET 58 1HG MET 58 -10.982 4.967 -10.416 431 HE1 MET 58 3HE MET 58 -9.363 7.359 -7.273 432 HE2 MET 58 1HE MET 58 -9.079 8.578 -8.517 433 HE3 MET 58 2HE MET 58 -8.395 6.961 -8.692 434 H MET 59 H MET 59 -6.112 3.045 -8.466 435 HA MET 59 HA MET 59 -7.096 1.262 -6.419 436 HB2 MET 59 2HB MET 59 -5.537 0.226 -8.786 437 HB3 MET 59 1HB MET 59 -5.651 -0.641 -7.263 438 HG2 MET 59 2HG MET 59 -7.368 -1.649 -8.293 439 HG3 MET 59 1HG MET 59 -8.254 -0.234 -7.730 440 HE1 MET 59 3HE MET 59 -6.090 -1.670 -10.544 441 HE2 MET 59 1HE MET 59 -5.599 0.009 -10.770 442 HE3 MET 59 2HE MET 59 -6.594 -0.790 -11.987 443 H LEU 60 H LEU 60 -5.675 1.037 -4.751 444 HA LEU 60 HA LEU 60 -3.027 2.292 -5.104 445 HB2 LEU 60 2HB LEU 60 -5.015 2.417 -2.884 446 HB3 LEU 60 1HB LEU 60 -3.313 2.520 -2.487 447 HG LEU 60 HG LEU 60 -3.054 4.514 -3.808 448 HD11 LEU 60 1HD1 LEU 60 -4.465 4.080 -5.672 449 HD12 LEU 60 2HD1 LEU 60 -5.058 5.547 -4.895 450 HD13 LEU 60 3HD1 LEU 60 -5.900 4.016 -4.648 451 HD21 LEU 60 3HD2 LEU 60 -5.565 5.284 -2.519 452 HD22 LEU 60 1HD2 LEU 60 -3.922 5.863 -2.245 453 HD23 LEU 60 2HD2 LEU 60 -4.469 4.370 -1.482 454 H ARG 61 H ARG 61 -1.235 1.237 -4.316 455 HA ARG 61 HA ARG 61 -1.703 -1.474 -3.262 456 HB2 ARG 61 2HB ARG 61 0.203 -0.411 -5.272 457 HB3 ARG 61 1HB ARG 61 0.809 -1.660 -4.192 458 HG2 ARG 61 2HG ARG 61 -1.064 -3.110 -4.867 459 HG3 ARG 61 1HG ARG 61 -1.590 -1.862 -5.999 460 HD2 ARG 61 2HD ARG 61 0.111 -2.267 -7.451 461 HD3 ARG 61 1HD ARG 61 1.234 -2.733 -6.174 462 HE ARG 61 HE ARG 61 -0.557 -4.759 -6.189 463 HH11 ARG 61 1HH1 ARG 61 1.351 -3.243 -8.688 464 HH12 ARG 61 2HH1 ARG 61 1.474 -4.683 -9.642 465 HH21 ARG 61 1HH2 ARG 61 -0.395 -6.654 -7.443 466 HH22 ARG 61 2HH2 ARG 61 0.483 -6.619 -8.936 467 H LEU 62 H LEU 62 -0.341 -2.262 -1.631 468 HA LEU 62 HA LEU 62 1.255 -0.226 -0.227 469 HB2 LEU 62 2HB LEU 62 -1.149 -1.203 0.649 470 HB3 LEU 62 1HB LEU 62 -0.022 -2.274 1.449 471 HG LEU 62 HG LEU 62 0.549 -0.722 2.963 472 HD11 LEU 62 1HD1 LEU 62 1.939 0.534 1.451 473 HD12 LEU 62 2HD1 LEU 62 1.010 1.637 2.464 474 HD13 LEU 62 3HD1 LEU 62 0.527 1.359 0.790 475 HD21 LEU 62 3HD2 LEU 62 -1.124 1.015 3.368 476 HD22 LEU 62 1HD2 LEU 62 -1.866 -0.539 2.984 477 HD23 LEU 62 2HD2 LEU 62 -1.792 0.729 1.761 478 H ILE 63 H ILE 63 3.311 -0.864 -0.389 479 HA ILE 63 HA ILE 63 3.989 -3.686 -0.490 480 HB ILE 63 HB ILE 63 5.755 -1.235 -0.637 481 HG12 ILE 63 2HG1 ILE 63 4.274 -1.428 -2.558 482 HG13 ILE 63 1HG1 ILE 63 5.921 -1.832 -3.036 483 HG21 ILE 63 1HG2 ILE 63 6.979 -3.157 0.232 484 HG22 ILE 63 2HG2 ILE 63 7.507 -2.763 -1.404 485 HG23 ILE 63 3HG2 ILE 63 6.432 -4.134 -1.130 486 HD11 ILE 63 3HD1 ILE 63 4.882 -3.556 -4.035 487 HD12 ILE 63 1HD1 ILE 63 3.511 -3.515 -2.925 488 HD13 ILE 63 2HD1 ILE 63 5.024 -4.277 -2.431 489 H GLY 64 H GLY 64 4.923 -4.841 1.114 490 HA2 GLY 64 2HA GLY 64 5.122 -3.529 3.731 491 HA3 GLY 64 1HA GLY 64 5.004 -5.259 3.452 492 H LYS 65 H LYS 65 6.863 -4.324 5.218 493 HA LYS 65 HA LYS 65 9.385 -3.713 4.177 494 HB2 LYS 65 2HB LYS 65 8.381 -3.933 6.673 495 HB3 LYS 65 1HB LYS 65 9.305 -5.427 6.589 496 HG2 LYS 65 2HG LYS 65 10.585 -3.580 7.569 497 HG3 LYS 65 1HG LYS 65 11.322 -4.199 6.090 498 HD2 LYS 65 2HD LYS 65 11.014 -2.264 4.980 499 HD3 LYS 65 1HD LYS 65 9.423 -1.994 5.692 500 HE2 LYS 65 2HE LYS 65 10.309 -0.980 7.591 501 HE3 LYS 65 1HE LYS 65 11.908 -1.674 7.331 502 HZ1 LYS 65 3HZ LYS 65 11.776 -0.232 5.167 503 HZ2 LYS 65 1HZ LYS 65 12.253 0.455 6.638 504 HZ3 LYS 65 2HZ LYS 65 10.671 0.669 6.077 505 H VAL 66 H VAL 66 11.151 -4.952 3.576 506 HA VAL 66 HA VAL 66 10.608 -7.760 3.022 507 HB VAL 66 HB VAL 66 10.831 -6.269 1.071 508 HG11 VAL 66 1HG1 VAL 66 13.121 -5.336 2.497 509 HG12 VAL 66 2HG1 VAL 66 12.361 -4.681 1.047 510 HG13 VAL 66 3HG1 VAL 66 13.606 -5.923 0.907 511 HG21 VAL 66 3HG2 VAL 66 12.428 -8.668 1.576 512 HG22 VAL 66 1HG2 VAL 66 12.976 -7.702 0.206 513 HG23 VAL 66 2HG2 VAL 66 11.316 -8.296 0.259 514 H ASP 67 H ASP 67 13.640 -7.308 2.342 515 HA ASP 67 HA ASP 67 14.738 -7.632 5.017 516 HB2 ASP 67 2HB ASP 67 14.599 -9.739 2.939 517 HB3 ASP 67 1HB ASP 67 16.143 -9.577 3.771 518 H GLU 68 H GLU 68 17.289 -8.160 4.591 519 HA GLU 68 HA GLU 68 18.547 -6.956 2.396 520 HB2 GLU 68 2HB GLU 68 19.378 -4.878 3.533 521 HB3 GLU 68 1HB GLU 68 17.668 -4.856 3.126 522 HG2 GLU 68 2HG GLU 68 17.014 -5.123 5.351 523 HG3 GLU 68 1HG GLU 68 18.617 -5.666 5.848 524 H SER 69 H SER 69 18.855 -9.250 4.024 525 HA SER 69 HA SER 69 21.554 -8.769 5.101 526 HB2 SER 69 2HB SER 69 19.750 -9.256 6.844 527 HB3 SER 69 1HB SER 69 19.679 -10.883 6.165 528 HG SER 69 HG SER 69 21.486 -9.815 7.864 529 H LYS 70 H LYS 70 21.152 -9.423 2.456 530 HA LYS 70 HA LYS 70 21.928 -10.839 0.854 531 HB2 LYS 70 2HB LYS 70 23.060 -12.458 3.141 532 HB3 LYS 70 1HB LYS 70 23.548 -12.540 1.455 533 HG2 LYS 70 2HG LYS 70 23.736 -9.883 2.711 534 HG3 LYS 70 1HG LYS 70 24.842 -11.112 3.327 535 HD2 LYS 70 2HD LYS 70 24.509 -10.473 0.401 536 HD3 LYS 70 1HD LYS 70 25.740 -9.739 1.431 537 HE2 LYS 70 2HE LYS 70 26.213 -12.300 1.994 538 HE3 LYS 70 1HE LYS 70 25.536 -12.503 0.379 539 HZ1 LYS 70 3HZ LYS 70 27.547 -10.425 0.670 540 HZ2 LYS 70 1HZ LYS 70 27.313 -11.539 -0.582 541 HZ3 LYS 70 2HZ LYS 70 28.103 -12.013 0.835 542 H LYS 71 H LYS 71 19.739 -11.379 0.386 543 HA LYS 71 HA LYS 71 18.801 -13.942 1.456 544 HB2 LYS 71 2HB LYS 71 17.500 -11.506 0.452 545 HB3 LYS 71 1HB LYS 71 16.756 -12.997 -0.105 546 HG2 LYS 71 2HG LYS 71 17.351 -12.496 2.791 547 HG3 LYS 71 1HG LYS 71 15.848 -11.970 2.030 548 HD2 LYS 71 2HD LYS 71 15.079 -14.109 1.757 549 HD3 LYS 71 1HD LYS 71 16.702 -14.796 1.655 550 HE2 LYS 71 2HE LYS 71 15.645 -13.622 4.207 551 HE3 LYS 71 1HE LYS 71 15.307 -15.291 3.753 552 HZ1 LYS 71 3HZ LYS 71 17.959 -14.059 4.244 553 HZ2 LYS 71 1HZ LYS 71 17.763 -15.588 3.546 554 HZ3 LYS 71 2HZ LYS 71 17.220 -15.303 5.121 555 H ARG 72 H ARG 72 17.138 -14.783 -0.544 556 HA ARG 72 HA ARG 72 18.583 -16.397 -2.136 557 HB2 ARG 72 2HB ARG 72 15.909 -15.659 -1.949 558 HB3 ARG 72 1HB ARG 72 16.316 -15.361 -3.633 559 HG2 ARG 72 2HG ARG 72 17.365 -17.894 -2.755 560 HG3 ARG 72 1HG ARG 72 15.628 -17.787 -2.462 561 HD2 ARG 72 2HD ARG 72 16.324 -16.726 -5.061 562 HD3 ARG 72 1HD ARG 72 16.896 -18.384 -4.873 563 HE ARG 72 HE ARG 72 14.349 -18.520 -3.989 564 HH11 ARG 72 1HH1 ARG 72 15.783 -17.250 -6.907 565 HH12 ARG 72 2HH1 ARG 72 14.391 -17.582 -7.883 566 HH21 ARG 72 1HH2 ARG 72 12.519 -18.958 -5.271 567 HH22 ARG 72 2HH2 ARG 72 12.538 -18.551 -6.955 568 H LYS 73 H LYS 73 18.978 -16.415 -4.481 569 HA LYS 73 HA LYS 73 20.154 -13.874 -5.325 570 HB2 LYS 73 2HB LYS 73 20.487 -16.563 -6.650 571 HB3 LYS 73 1HB LYS 73 21.502 -15.139 -6.834 572 HG2 LYS 73 2HG LYS 73 21.208 -16.434 -4.159 573 HG3 LYS 73 1HG LYS 73 22.311 -17.105 -5.362 574 HD2 LYS 73 2HD LYS 73 22.515 -14.199 -4.975 575 HD3 LYS 73 1HD LYS 73 22.972 -15.171 -3.575 576 HE2 LYS 73 2HE LYS 73 24.038 -15.678 -6.343 577 HE3 LYS 73 1HE LYS 73 24.830 -14.601 -5.194 578 HZ1 LYS 73 3HZ LYS 73 24.217 -17.446 -4.622 579 HZ2 LYS 73 1HZ LYS 73 25.170 -16.397 -3.697 580 HZ3 LYS 73 2HZ LYS 73 25.706 -16.909 -5.217 581 H ASP 74 H ASP 74 20.232 -14.201 -8.058 582 HA ASP 74 HA ASP 74 17.384 -13.981 -8.758 583 HB2 ASP 74 2HB ASP 74 19.038 -11.981 -8.990 584 HB3 ASP 74 1HB ASP 74 19.593 -12.828 -10.431 585 H ASN 75 H ASN 75 19.235 -16.385 -8.743 586 HA ASN 75 HA ASN 75 19.350 -18.324 -9.933 587 HB2 ASN 75 2HB ASN 75 17.008 -17.517 -10.695 588 HB3 ASN 75 1HB ASN 75 17.819 -17.078 -12.196 589 HD21 ASN 75 1HD2 ASN 75 16.229 -18.676 -13.008 590 HD22 ASN 75 2HD2 ASN 75 16.702 -20.337 -13.036 591 H GLU 76 H GLU 76 20.731 -15.479 -10.825 592 HA GLU 76 HA GLU 76 22.307 -16.778 -12.933 593 HB2 GLU 76 2HB GLU 76 21.983 -13.812 -12.850 594 HB3 GLU 76 1HB GLU 76 22.368 -14.845 -14.220 595 HG2 GLU 76 2HG GLU 76 19.997 -15.737 -14.006 596 HG3 GLU 76 1HG GLU 76 19.707 -14.374 -12.926 597 H GLY 77 H GLY 77 22.262 -14.286 -10.468 598 HA2 GLY 77 2HA GLY 77 24.431 -14.940 -9.003 599 HA3 GLY 77 1HA GLY 77 25.152 -14.120 -10.380 600 H ASN 78 H ASN 78 22.108 -13.401 -8.717 601 HA ASN 78 HA ASN 78 23.281 -10.894 -7.737 602 HB2 ASN 78 2HB ASN 78 20.932 -11.239 -9.544 603 HB3 ASN 78 1HB ASN 78 20.860 -9.968 -8.327 604 HD21 ASN 78 1HD2 ASN 78 22.923 -11.254 -10.894 605 HD22 ASN 78 2HD2 ASN 78 23.562 -9.718 -11.389 606 H GLU 79 H GLU 79 23.187 -11.134 -5.598 607 HA GLU 79 HA GLU 79 21.355 -12.744 -4.210 608 HB2 GLU 79 2HB GLU 79 22.173 -11.560 -2.184 609 HB3 GLU 79 1HB GLU 79 23.468 -12.160 -3.211 610 HG2 GLU 79 2HG GLU 79 23.159 -9.655 -4.187 611 HG3 GLU 79 1HG GLU 79 22.744 -9.413 -2.490 612 H VAL 80 H VAL 80 19.295 -12.134 -5.074 613 HA VAL 80 HA VAL 80 18.279 -9.483 -4.555 614 HB VAL 80 HB VAL 80 16.241 -10.193 -5.583 615 HG11 VAL 80 1HG1 VAL 80 18.391 -9.919 -6.967 616 HG12 VAL 80 2HG1 VAL 80 16.991 -10.667 -7.734 617 HG13 VAL 80 3HG1 VAL 80 18.319 -11.671 -7.155 618 HG21 VAL 80 3HG2 VAL 80 15.519 -12.229 -4.938 619 HG22 VAL 80 1HG2 VAL 80 17.155 -12.875 -4.788 620 HG23 VAL 80 2HG2 VAL 80 16.385 -12.784 -6.372 621 H VAL 81 H VAL 81 15.769 -9.759 -3.693 622 HA VAL 81 HA VAL 81 15.907 -11.235 -1.159 623 HB VAL 81 HB VAL 81 14.862 -8.412 -1.402 624 HG11 VAL 81 1HG1 VAL 81 15.372 -10.101 1.043 625 HG12 VAL 81 2HG1 VAL 81 13.788 -9.822 0.321 626 HG13 VAL 81 3HG1 VAL 81 14.694 -8.473 1.007 627 HG21 VAL 81 3HG2 VAL 81 17.496 -9.463 -0.405 628 HG22 VAL 81 1HG2 VAL 81 16.865 -7.884 0.061 629 HG23 VAL 81 2HG2 VAL 81 17.203 -8.233 -1.635 630 HA PRO 82 HA PRO 82 11.989 -12.935 -2.309 631 HB2 PRO 82 2HB PRO 82 10.874 -12.737 0.288 632 HB3 PRO 82 1HB PRO 82 11.642 -14.147 -0.441 633 HG2 PRO 82 2HG PRO 82 12.761 -12.137 1.424 634 HG3 PRO 82 1HG PRO 82 13.175 -13.847 1.227 635 HD2 PRO 82 2HD PRO 82 14.796 -11.898 0.353 636 HD3 PRO 82 1HD PRO 82 14.613 -13.422 -0.541 637 H LYS 83 H LYS 83 10.443 -11.863 -3.336 638 HA LYS 83 HA LYS 83 9.872 -9.228 -3.311 639 HB2 LYS 83 2HB LYS 83 8.149 -11.607 -3.876 640 HB3 LYS 83 1HB LYS 83 7.437 -10.000 -3.915 641 HG2 LYS 83 2HG LYS 83 8.047 -10.056 -6.070 642 HG3 LYS 83 1HG LYS 83 9.629 -9.598 -5.437 643 HD2 LYS 83 2HD LYS 83 9.780 -12.272 -5.176 644 HD3 LYS 83 1HD LYS 83 8.704 -12.163 -6.572 645 HE2 LYS 83 2HE LYS 83 10.303 -10.923 -7.814 646 HE3 LYS 83 1HE LYS 83 11.312 -10.673 -6.390 647 HZ1 LYS 83 3HZ LYS 83 12.430 -12.396 -7.286 648 HZ2 LYS 83 1HZ LYS 83 11.089 -13.001 -8.122 649 HZ3 LYS 83 2HZ LYS 83 11.270 -13.317 -6.470 650 HA PRO 84 HA PRO 84 8.180 -8.374 0.717 651 HB2 PRO 84 2HB PRO 84 7.269 -5.870 0.220 652 HB3 PRO 84 1HB PRO 84 8.977 -6.243 0.477 653 HG2 PRO 84 2HG PRO 84 7.488 -5.875 -2.087 654 HG3 PRO 84 1HG PRO 84 9.072 -5.234 -1.616 655 HD2 PRO 84 2HD PRO 84 8.826 -7.396 -3.201 656 HD3 PRO 84 1HD PRO 84 10.143 -7.246 -2.018 657 H GLN 85 H GLN 85 6.277 -8.963 1.565 658 HA GLN 85 HA GLN 85 4.019 -9.534 -0.017 659 HB2 GLN 85 2HB GLN 85 3.946 -9.059 2.958 660 HB3 GLN 85 1HB GLN 85 2.915 -10.117 2.004 661 HG2 GLN 85 2HG GLN 85 5.361 -11.165 1.486 662 HG3 GLN 85 1HG GLN 85 5.574 -10.590 3.139 663 HE21 GLN 85 1HE2 GLN 85 3.389 -11.060 4.438 664 HE22 GLN 85 2HE2 GLN 85 2.913 -12.728 4.381 665 H ARG 86 H ARG 86 2.731 -8.108 -0.964 666 HA ARG 86 HA ARG 86 2.190 -5.566 0.427 667 HB2 ARG 86 2HB ARG 86 1.847 -4.557 -1.784 668 HB3 ARG 86 1HB ARG 86 3.466 -5.223 -1.621 669 HG2 ARG 86 2HG ARG 86 2.043 -7.317 -2.692 670 HG3 ARG 86 1HG ARG 86 1.343 -5.905 -3.485 671 HD2 ARG 86 2HD ARG 86 3.232 -5.453 -4.635 672 HD3 ARG 86 1HD ARG 86 4.281 -5.928 -3.300 673 HE ARG 86 HE ARG 86 4.444 -8.008 -4.226 674 HH11 ARG 86 1HH1 ARG 86 1.676 -6.392 -5.608 675 HH12 ARG 86 2HH1 ARG 86 1.373 -7.638 -6.773 676 HH21 ARG 86 1HH2 ARG 86 4.047 -9.648 -5.757 677 HH22 ARG 86 2HH2 ARG 86 2.718 -9.486 -6.857 678 H HIS 87 H HIS 87 0.082 -4.582 -0.059 679 HA HIS 87 HA HIS 87 -1.996 -6.639 -0.428 680 HB2 HIS 87 2HB HIS 87 -2.425 -4.074 1.087 681 HB3 HIS 87 1HB HIS 87 -3.356 -5.566 1.165 682 HD1 HIS 87 1HD HIS 87 -2.045 -7.635 2.341 683 HD2 HIS 87 2HD HIS 87 -0.526 -3.827 3.017 684 HE1 HIS 87 1HE HIS 87 -0.561 -7.853 4.360 685 HE2 HIS 87 2HE HIS 87 0.277 -5.517 4.802 686 H MET 88 H MET 88 -3.282 -6.393 -2.133 687 HA MET 88 HA MET 88 -3.106 -3.962 -3.706 688 HB2 MET 88 2HB MET 88 -2.986 -6.142 -4.826 689 HB3 MET 88 1HB MET 88 -4.592 -6.542 -4.231 690 HG2 MET 88 2HG MET 88 -5.635 -5.047 -5.654 691 HG3 MET 88 1HG MET 88 -4.168 -4.103 -5.899 692 HE1 MET 88 3HE MET 88 -3.514 -4.099 -8.491 693 HE2 MET 88 1HE MET 88 -2.522 -5.505 -8.876 694 HE3 MET 88 2HE MET 88 -2.283 -4.649 -7.353 695 H PHE 89 H PHE 89 -4.364 -2.311 -3.143 696 HA PHE 89 HA PHE 89 -7.118 -2.879 -2.270 697 HB2 PHE 89 2HB PHE 89 -5.371 -0.481 -1.680 698 HB3 PHE 89 1HB PHE 89 -7.047 -0.653 -1.174 699 HD1 PHE 89 1HD PHE 89 -7.451 -3.072 0.026 700 HD2 PHE 89 2HD PHE 89 -3.822 -0.850 -0.043 701 HE1 PHE 89 1HE PHE 89 -6.717 -4.215 2.078 702 HE2 PHE 89 2HE PHE 89 -3.081 -1.989 2.008 703 HZ PHE 89 HZ PHE 89 -4.530 -3.674 3.071 704 H SER 90 H SER 90 -8.774 -2.094 -3.431 705 HA SER 90 HA SER 90 -8.114 -0.377 -5.728 706 HB2 SER 90 2HB SER 90 -9.031 -2.275 -6.687 707 HB3 SER 90 1HB SER 90 -10.113 -2.570 -5.326 708 HG SER 90 HG SER 90 -11.575 -1.356 -6.238 709 H PHE 91 H PHE 91 -8.896 1.623 -5.779 710 HA PHE 91 HA PHE 91 -10.803 2.419 -3.713 711 HB2 PHE 91 2HB PHE 91 -8.864 3.930 -5.443 712 HB3 PHE 91 1HB PHE 91 -10.144 4.764 -4.566 713 HD1 PHE 91 2HD PHE 91 -7.983 1.891 -3.587 714 HD2 PHE 91 1HD PHE 91 -9.143 5.916 -2.843 715 HE1 PHE 91 2HE PHE 91 -6.584 1.912 -1.569 716 HE2 PHE 91 1HE PHE 91 -7.746 5.948 -0.823 717 HZ PHE 91 HZ PHE 91 -6.467 3.945 -0.175 718 H ASN 92 H ASN 92 -12.735 3.437 -4.135 719 HA ASN 92 HA ASN 92 -13.648 3.295 -6.928 720 HB2 ASN 92 2HB ASN 92 -14.936 2.571 -4.359 721 HB3 ASN 92 1HB ASN 92 -15.968 3.324 -5.571 722 HD21 ASN 92 1HD2 ASN 92 -13.248 1.072 -5.854 723 HD22 ASN 92 2HD2 ASN 92 -14.127 -0.153 -6.698 724 H ASN 93 H ASN 93 -13.217 5.342 -4.197 725 HA ASN 93 HA ASN 93 -14.892 7.431 -5.385 726 HB2 ASN 93 2HB ASN 93 -14.230 6.700 -2.697 727 HB3 ASN 93 1HB ASN 93 -13.683 8.350 -2.984 728 HD21 ASN 93 1HD2 ASN 93 -15.112 9.904 -2.740 729 HD22 ASN 93 2HD2 ASN 93 -16.837 9.708 -2.729 730 H ARG 94 H ARG 94 -14.053 9.584 -5.641 731 HA ARG 94 HA ARG 94 -11.296 9.549 -6.586 732 HB2 ARG 94 2HB ARG 94 -11.956 11.877 -7.443 733 HB3 ARG 94 1HB ARG 94 -12.715 10.484 -8.198 734 HG2 ARG 94 2HG ARG 94 -14.739 10.844 -6.972 735 HG3 ARG 94 1HG ARG 94 -13.982 12.111 -6.005 736 HD2 ARG 94 2HD ARG 94 -14.394 12.222 -8.991 737 HD3 ARG 94 1HD ARG 94 -15.438 12.992 -7.799 738 HE ARG 94 HE ARG 94 -13.813 14.598 -7.427 739 HH11 ARG 94 1HH1 ARG 94 -12.587 12.118 -9.563 740 HH12 ARG 94 2HH1 ARG 94 -11.208 13.045 -10.047 741 HH21 ARG 94 1HH2 ARG 94 -11.997 15.813 -8.065 742 HH22 ARG 94 2HH2 ARG 94 -10.872 15.140 -9.197 743 H THR 95 H THR 95 -13.297 11.072 -4.155 744 HA THR 95 HA THR 95 -11.230 12.902 -3.334 745 HB THR 95 HB THR 95 -14.048 12.497 -2.787 746 HG1 THR 95 1HG THR 95 -13.984 14.713 -2.690 747 HG21 THR 95 3HG2 THR 95 -13.906 13.767 -0.595 748 HG22 THR 95 1HG2 THR 95 -12.243 13.187 -0.507 749 HG23 THR 95 2HG2 THR 95 -13.577 12.035 -0.548 750 H VAL 96 H VAL 96 -12.432 9.769 -2.364 751 HA VAL 96 HA VAL 96 -11.260 9.678 0.196 752 HB VAL 96 HB VAL 96 -11.589 7.291 0.142 753 HG11 VAL 96 1HG1 VAL 96 -13.742 8.968 -1.079 754 HG12 VAL 96 2HG1 VAL 96 -13.618 8.327 0.559 755 HG13 VAL 96 3HG1 VAL 96 -14.002 7.250 -0.783 756 HG21 VAL 96 3HG2 VAL 96 -11.844 7.664 -2.829 757 HG22 VAL 96 1HG2 VAL 96 -12.455 6.233 -1.996 758 HG23 VAL 96 2HG2 VAL 96 -10.735 6.617 -1.942 759 H MET 97 H MET 97 -10.072 8.563 -2.963 760 HA MET 97 HA MET 97 -7.642 7.501 -2.056 761 HB2 MET 97 2HB MET 97 -6.874 8.038 -4.452 762 HB3 MET 97 1HB MET 97 -8.211 6.917 -4.250 763 HG2 MET 97 2HG MET 97 -9.534 8.192 -5.474 764 HG3 MET 97 1HG MET 97 -9.219 9.584 -4.441 765 HE1 MET 97 3HE MET 97 -7.101 11.213 -4.794 766 HE2 MET 97 1HE MET 97 -5.945 11.022 -6.113 767 HE3 MET 97 2HE MET 97 -6.024 9.817 -4.829 768 H ASP 98 H ASP 98 -8.662 10.731 -2.744 769 HA ASP 98 HA ASP 98 -6.157 11.987 -2.928 770 HB2 ASP 98 2HB ASP 98 -8.444 12.950 -3.520 771 HB3 ASP 98 1HB ASP 98 -8.641 13.273 -1.801 772 H ASN 99 H ASN 99 -8.235 11.288 -0.132 773 HA ASN 99 HA ASN 99 -6.418 12.616 1.678 774 HB2 ASN 99 2HB ASN 99 -7.947 12.026 3.422 775 HB3 ASN 99 1HB ASN 99 -8.903 12.529 2.033 776 HD21 ASN 99 1HD2 ASN 99 -10.651 11.360 1.838 777 HD22 ASN 99 2HD2 ASN 99 -10.786 9.654 2.129 778 H ILE 100 H ILE 100 -7.066 9.337 0.634 779 HA ILE 100 HA ILE 100 -5.566 8.042 2.671 780 HB ILE 100 HB ILE 100 -6.329 7.087 -0.091 781 HG12 ILE 100 2HG1 ILE 100 -8.185 7.631 1.520 782 HG13 ILE 100 1HG1 ILE 100 -8.152 5.955 0.984 783 HG21 ILE 100 1HG2 ILE 100 -4.888 5.422 0.255 784 HG22 ILE 100 2HG2 ILE 100 -5.979 4.867 1.524 785 HG23 ILE 100 3HG2 ILE 100 -4.613 5.906 1.929 786 HD11 ILE 100 3HD1 ILE 100 -6.972 5.379 3.093 787 HD12 ILE 100 1HD1 ILE 100 -8.614 5.984 3.312 788 HD13 ILE 100 2HD1 ILE 100 -7.237 7.039 3.631 789 H LYS 101 H LYS 101 -4.805 8.620 -0.768 790 HA LYS 101 HA LYS 101 -2.203 7.699 -0.764 791 HB2 LYS 101 2HB LYS 101 -3.438 8.310 -2.795 792 HB3 LYS 101 1HB LYS 101 -3.329 10.009 -2.355 793 HG2 LYS 101 2HG LYS 101 -0.772 8.554 -2.514 794 HG3 LYS 101 1HG LYS 101 -1.632 8.790 -4.037 795 HD2 LYS 101 2HD LYS 101 -1.096 11.031 -2.100 796 HD3 LYS 101 1HD LYS 101 0.024 10.595 -3.394 797 HE2 LYS 101 2HE LYS 101 -1.989 10.842 -4.959 798 HE3 LYS 101 1HE LYS 101 -2.774 11.664 -3.611 799 HZ1 LYS 101 3HZ LYS 101 -1.819 13.455 -4.552 800 HZ2 LYS 101 1HZ LYS 101 -0.604 12.562 -5.323 801 HZ3 LYS 101 2HZ LYS 101 -0.455 12.956 -3.685 802 H MET 102 H MET 102 -3.429 10.835 0.265 803 HA MET 102 HA MET 102 -0.783 11.921 0.626 804 HB2 MET 102 2HB MET 102 -1.874 13.933 1.348 805 HB3 MET 102 1HB MET 102 -2.709 13.324 -0.073 806 HG2 MET 102 2HG MET 102 -4.418 12.330 1.411 807 HG3 MET 102 1HG MET 102 -3.605 13.072 2.787 808 HE1 MET 102 3HE MET 102 -2.963 15.748 2.629 809 HE2 MET 102 1HE MET 102 -4.314 15.373 3.697 810 HE3 MET 102 2HE MET 102 -4.414 16.750 2.600 811 H THR 103 H THR 103 -3.345 10.685 2.657 812 HA THR 103 HA THR 103 -2.050 11.348 5.115 813 HB THR 103 HB THR 103 -4.336 9.459 4.528 814 HG1 THR 103 1HG THR 103 -4.716 11.698 4.136 815 HG21 THR 103 3HG2 THR 103 -4.353 10.525 7.183 816 HG22 THR 103 1HG2 THR 103 -2.869 9.615 6.903 817 HG23 THR 103 2HG2 THR 103 -4.436 8.846 6.648 818 H LEU 104 H LEU 104 -2.133 8.473 3.076 819 HA LEU 104 HA LEU 104 -0.965 6.723 4.951 820 HB2 LEU 104 2HB LEU 104 -1.535 6.700 2.077 821 HB3 LEU 104 1HB LEU 104 -0.105 5.782 2.512 822 HG LEU 104 HG LEU 104 -1.390 4.396 4.026 823 HD11 LEU 104 1HD1 LEU 104 -3.068 5.548 5.018 824 HD12 LEU 104 2HD1 LEU 104 -4.009 4.801 3.727 825 HD13 LEU 104 3HD1 LEU 104 -3.451 6.466 3.561 826 HD21 LEU 104 3HD2 LEU 104 -1.425 3.415 1.943 827 HD22 LEU 104 1HD2 LEU 104 -2.364 4.723 1.222 828 HD23 LEU 104 2HD2 LEU 104 -3.147 3.558 2.290 829 H GLN 105 H GLN 105 0.535 8.371 2.162 830 HA GLN 105 HA GLN 105 3.182 7.769 2.775 831 HB2 GLN 105 2HB GLN 105 3.775 9.751 1.420 832 HB3 GLN 105 1HB GLN 105 2.570 8.737 0.638 833 HG2 GLN 105 2HG GLN 105 0.824 10.307 1.515 834 HG3 GLN 105 1HG GLN 105 2.137 11.367 2.025 835 HE21 GLN 105 1HE2 GLN 105 3.874 11.399 0.067 836 HE22 GLN 105 2HE2 GLN 105 3.168 11.942 -1.423 837 H GLN 106 H GLN 106 1.005 10.029 4.231 838 HA GLN 106 HA GLN 106 2.882 11.738 5.455 839 HB2 GLN 106 2HB GLN 106 0.019 11.226 5.652 840 HB3 GLN 106 1HB GLN 106 0.732 11.634 7.206 841 HG2 GLN 106 2HG GLN 106 0.774 13.272 4.686 842 HG3 GLN 106 1HG GLN 106 -0.065 13.635 6.192 843 HE21 GLN 106 1HE2 GLN 106 2.933 13.688 4.497 844 HE22 GLN 106 2HE2 GLN 106 3.841 14.566 5.688 845 H ILE 107 H ILE 107 1.528 8.652 6.309 846 HA ILE 107 HA ILE 107 2.759 8.568 8.922 847 HB ILE 107 HB ILE 107 1.367 6.440 7.285 848 HG12 ILE 107 2HG1 ILE 107 0.223 7.296 9.849 849 HG13 ILE 107 1HG1 ILE 107 0.297 8.578 8.645 850 HG21 ILE 107 1HG2 ILE 107 1.372 5.084 9.332 851 HG22 ILE 107 2HG2 ILE 107 2.384 6.295 10.119 852 HG23 ILE 107 3HG2 ILE 107 3.001 5.394 8.733 853 HD11 ILE 107 3HD1 ILE 107 -1.790 7.634 8.318 854 HD12 ILE 107 1HD1 ILE 107 -1.193 5.991 8.549 855 HD13 ILE 107 2HD1 ILE 107 -0.802 6.871 7.072 856 H ILE 108 H ILE 108 3.353 7.375 5.698 857 HA ILE 108 HA ILE 108 5.448 5.584 6.167 858 HB ILE 108 HB ILE 108 5.147 7.410 3.781 859 HG12 ILE 108 2HG1 ILE 108 3.828 4.772 4.407 860 HG13 ILE 108 1HG1 ILE 108 3.050 6.323 4.130 861 HG21 ILE 108 1HG2 ILE 108 6.334 4.651 3.903 862 HG22 ILE 108 2HG2 ILE 108 7.282 6.135 4.011 863 HG23 ILE 108 3HG2 ILE 108 6.354 5.784 2.552 864 HD11 ILE 108 3HD1 ILE 108 2.751 5.624 2.047 865 HD12 ILE 108 1HD1 ILE 108 3.917 4.313 2.232 866 HD13 ILE 108 2HD1 ILE 108 4.473 5.935 1.821 867 H SER 109 H SER 109 5.628 8.956 5.085 868 HA SER 109 HA SER 109 8.369 9.301 5.258 869 HB2 SER 109 2HB SER 109 6.042 11.169 5.401 870 HB3 SER 109 1HB SER 109 7.649 11.790 5.772 871 HG SER 109 HG SER 109 7.543 12.039 3.635 872 H ARG 110 H ARG 110 6.037 9.137 7.790 873 HA ARG 110 HA ARG 110 7.331 10.517 9.836 874 HB2 ARG 110 2HB ARG 110 5.578 9.802 11.034 875 HB3 ARG 110 1HB ARG 110 5.045 8.964 9.589 876 HG2 ARG 110 2HG ARG 110 6.167 6.937 10.324 877 HG3 ARG 110 1HG ARG 110 6.761 7.776 11.759 878 HD2 ARG 110 2HD ARG 110 3.829 7.688 11.172 879 HD3 ARG 110 1HD ARG 110 4.622 6.299 11.912 880 HE ARG 110 HE ARG 110 3.902 8.708 13.201 881 HH11 ARG 110 1HH1 ARG 110 6.442 6.317 13.108 882 HH12 ARG 110 2HH1 ARG 110 6.929 6.590 14.747 883 HH21 ARG 110 1HH2 ARG 110 4.541 9.069 15.357 884 HH22 ARG 110 2HH2 ARG 110 5.850 8.150 16.024 885 H TYR 111 H TYR 111 7.572 7.101 8.922 886 HA TYR 111 HA TYR 111 9.593 6.506 10.852 887 HB2 TYR 111 2HB TYR 111 9.020 4.909 8.359 888 HB3 TYR 111 1HB TYR 111 9.666 4.334 9.892 889 HD1 TYR 111 1HD TYR 111 8.047 4.717 11.962 890 HD2 TYR 111 2HD TYR 111 6.795 4.520 7.901 891 HE1 TYR 111 1HE TYR 111 5.779 4.113 12.696 892 HE2 TYR 111 2HE TYR 111 4.524 3.918 8.622 893 HH TYR 111 HH TYR 111 3.101 4.003 10.504 894 H LYS 112 H LYS 112 9.564 7.735 7.614 895 HA LYS 112 HA LYS 112 12.093 7.041 6.718 896 HB2 LYS 112 2HB LYS 112 10.156 8.323 5.543 897 HB3 LYS 112 1HB LYS 112 10.950 9.759 6.171 898 HG2 LYS 112 2HG LYS 112 12.639 9.630 4.699 899 HG3 LYS 112 1HG LYS 112 12.717 7.869 4.782 900 HD2 LYS 112 2HD LYS 112 10.372 9.145 3.456 901 HD3 LYS 112 1HD LYS 112 11.912 9.089 2.594 902 HE2 LYS 112 2HE LYS 112 11.221 7.065 1.920 903 HE3 LYS 112 1HE LYS 112 11.722 6.542 3.528 904 HZ1 LYS 112 3HZ LYS 112 9.055 6.861 2.431 905 HZ2 LYS 112 1HZ LYS 112 9.250 7.386 4.028 906 HZ3 LYS 112 2HZ LYS 112 9.620 5.789 3.611 907 H ASP 113 H ASP 113 11.219 10.188 8.160 908 HA ASP 113 HA ASP 113 13.837 11.092 8.511 909 HB2 ASP 113 2HB ASP 113 11.185 11.824 9.662 910 HB3 ASP 113 1HB ASP 113 12.630 12.462 10.443 911 H ALA 114 H ALA 114 11.856 8.997 10.479 912 HA ALA 114 HA ALA 114 13.459 9.150 12.832 913 HB1 ALA 114 1HB ALA 114 11.390 8.384 13.386 914 HB2 ALA 114 2HB ALA 114 12.209 6.833 13.194 915 HB3 ALA 114 3HB ALA 114 11.206 7.468 11.889 916 H ASP 115 H ASP 115 12.983 6.401 10.604 917 HA ASP 115 HA ASP 115 15.193 4.939 11.504 918 HB2 ASP 115 2HB ASP 115 13.575 4.883 8.972 919 HB3 ASP 115 1HB ASP 115 14.980 3.837 9.163 920 H TYR 90 1HT TYR 90 1.300 -1.384 -21.847 921 HA TYR 90 HA TYR 90 2.851 -3.511 -20.534 922 HB2 TYR 90 2HB TYR 90 2.826 -0.509 -20.150 923 HB3 TYR 90 1HB TYR 90 3.926 -1.660 -19.399 924 HD1 TYR 90 1HD TYR 90 5.290 -3.140 -21.142 925 HD2 TYR 90 2HD TYR 90 3.577 0.661 -21.990 926 HE1 TYR 90 1HE TYR 90 6.868 -2.851 -23.006 927 HE2 TYR 90 2HE TYR 90 5.149 0.960 -23.857 928 HH TYR 90 HH TYR 90 7.506 0.032 -24.446 929 H ASP 91 H ASP 91 2.115 -4.241 -18.632 930 HA ASP 91 HA ASP 91 -0.464 -3.282 -17.694 931 HB2 ASP 91 2HB ASP 91 0.492 -5.781 -17.906 932 HB3 ASP 91 1HB ASP 91 0.969 -5.443 -16.245 933 H SER 92 H SER 92 2.838 -3.668 -16.459 934 HA SER 92 HA SER 92 2.316 -2.637 -13.880 935 HB2 SER 92 2HB SER 92 4.937 -2.131 -14.134 936 HB3 SER 92 1HB SER 92 4.313 -3.757 -13.859 937 HG SER 92 HG SER 92 5.805 -3.018 -15.832 938 H GLU 93 H GLU 93 2.989 -1.138 -16.949 939 HA GLU 93 HA GLU 93 3.877 1.370 -16.121 940 HB2 GLU 93 2HB GLU 93 3.609 0.327 -18.507 941 HB3 GLU 93 1HB GLU 93 2.028 1.094 -18.462 942 HG2 GLU 93 2HG GLU 93 4.654 2.514 -18.081 943 HG3 GLU 93 1HG GLU 93 3.729 2.466 -19.580 944 H GLU 94 H GLU 94 0.660 0.006 -16.200 945 HA GLU 94 HA GLU 94 -0.808 2.395 -15.931 946 HB2 GLU 94 2HB GLU 94 -1.491 -0.183 -16.319 947 HB3 GLU 94 1HB GLU 94 -1.847 -0.043 -14.602 948 HG2 GLU 94 2HG GLU 94 -3.845 0.665 -15.300 949 HG3 GLU 94 1HG GLU 94 -3.021 2.203 -15.558 950 H PHE 95 H PHE 95 0.016 -0.014 -13.429 951 HA PHE 95 HA PHE 95 -0.668 1.812 -11.314 952 HB2 PHE 95 2HB PHE 95 -0.552 -0.923 -11.514 953 HB3 PHE 95 1HB PHE 95 0.902 -0.565 -10.590 954 HD1 PHE 95 2HD PHE 95 0.217 1.577 -8.854 955 HD2 PHE 95 1HD PHE 95 -2.201 -1.686 -10.124 956 HE1 PHE 95 2HE PHE 95 -1.137 1.790 -6.811 957 HE2 PHE 95 1HE PHE 95 -3.559 -1.479 -8.084 958 HZ PHE 95 HZ PHE 95 -3.028 0.261 -6.423 959 H GLU 96 H GLU 96 0.666 3.055 -10.112 960 HA GLU 96 HA GLU 96 3.565 2.758 -10.480 961 HB2 GLU 96 2HB GLU 96 3.834 5.170 -10.697 962 HB3 GLU 96 1HB GLU 96 2.796 4.551 -11.974 963 HG2 GLU 96 2HG GLU 96 0.827 5.305 -10.726 964 HG3 GLU 96 1HG GLU 96 1.884 5.955 -9.473 965 H ASP 97 H ASP 97 4.813 4.009 -8.829 966 HA ASP 97 HA ASP 97 3.516 3.695 -6.229 967 HB2 ASP 97 2HB ASP 97 5.787 2.651 -6.833 968 HB3 ASP 97 1HB ASP 97 6.436 4.282 -6.685 969 H VAL 98 H VAL 98 3.994 5.302 -4.529 970 HA VAL 98 HA VAL 98 4.278 8.026 -5.613 971 HB VAL 98 HB VAL 98 1.913 7.592 -5.123 972 HG11 VAL 98 1HG1 VAL 98 1.091 6.899 -3.074 973 HG12 VAL 98 2HG1 VAL 98 2.554 7.373 -2.211 974 HG13 VAL 98 3HG1 VAL 98 2.561 5.937 -3.235 975 HG21 VAL 98 3HG2 VAL 98 1.579 9.669 -4.314 976 HG22 VAL 98 1HG2 VAL 98 3.333 9.790 -4.453 977 HG23 VAL 98 2HG2 VAL 98 2.598 9.396 -2.900 978 H THR 99 H THR 99 5.710 9.281 -4.589 979 HA THR 99 HA THR 99 6.406 8.755 -1.812 980 HB THR 99 HB THR 99 8.910 9.136 -2.858 981 HG1 THR 99 1HG THR 99 8.311 8.822 -4.967 982 HG21 THR 99 3HG2 THR 99 7.584 7.107 -1.473 983 HG22 THR 99 1HG2 THR 99 9.321 7.290 -1.719 984 HG23 THR 99 2HG2 THR 99 8.367 6.325 -2.846 985 H ASP 100 H ASP 100 5.730 10.721 -1.121 986 HA ASP 100 HA ASP 100 5.769 12.956 -0.708 987 HB2 ASP 100 2HB ASP 100 8.479 12.416 -1.800 988 HB3 ASP 100 1HB ASP 100 7.971 14.100 -1.728 989 H GLY 101 H GLY 101 5.237 14.959 -1.659 990 HA2 GLY 101 2HA GLY 101 5.160 15.044 -4.592 991 HA3 GLY 101 1HA GLY 101 3.648 15.208 -3.712 992 H ASN 102 H ASN 102 3.471 17.287 -4.770 993 HA ASN 102 HA ASN 102 4.969 19.357 -3.315 994 HB2 ASN 102 2HB ASN 102 4.548 19.084 -6.266 995 HB3 ASN 102 1HB ASN 102 4.650 20.694 -5.557 996 HD21 ASN 102 1HD2 ASN 102 6.581 21.374 -4.631 997 HD22 ASN 102 2HD2 ASN 102 8.080 20.573 -4.945 998 H GLU 103 H GLU 103 3.800 21.088 -2.621 999 HA GLU 103 HA GLU 103 1.005 21.310 -3.484 1000 HB2 GLU 103 2HB GLU 103 1.989 21.135 -0.636 1001 HB3 GLU 103 1HB GLU 103 0.402 21.761 -1.063 1002 HG2 GLU 103 2HG GLU 103 0.427 19.387 -2.389 1003 HG3 GLU 103 1HG GLU 103 1.377 19.007 -0.954 1004 H VAL 104 H VAL 104 0.636 23.305 -4.168 1005 HA VAL 104 HA VAL 104 1.994 25.540 -2.816 1006 HB VAL 104 HB VAL 104 2.107 26.699 -5.034 1007 HG11 VAL 104 1HG1 VAL 104 3.709 24.333 -4.262 1008 HG12 VAL 104 2HG1 VAL 104 4.196 26.016 -4.470 1009 HG13 VAL 104 3HG1 VAL 104 3.965 24.983 -5.881 1010 HG21 VAL 104 3HG2 VAL 104 0.402 25.161 -6.094 1011 HG22 VAL 104 1HG2 VAL 104 1.694 23.968 -6.226 1012 HG23 VAL 104 2HG2 VAL 104 1.832 25.515 -7.062 Start of MODEL 8 1 H2 PRO 1 1HT PRO 1 -12.637 13.689 6.812 2 H3 PRO 1 2HT PRO 1 -13.710 12.477 7.107 3 HA PRO 1 HA PRO 1 -12.311 11.138 6.452 4 HB2 PRO 1 2HB PRO 1 -12.026 11.952 3.679 5 HB3 PRO 1 1HB PRO 1 -12.848 10.538 4.350 6 HG2 PRO 1 2HG PRO 1 -14.174 12.628 3.225 7 HG3 PRO 1 1HG PRO 1 -14.861 11.616 4.507 8 HD2 PRO 1 2HD PRO 1 -13.579 14.326 4.712 9 HD3 PRO 1 1HD PRO 1 -15.054 13.722 5.492 10 H SER 2 H SER 2 -10.567 12.021 7.671 11 HA SER 2 HA SER 2 -8.577 13.509 6.094 12 HB2 SER 2 2HB SER 2 -8.445 13.217 9.080 13 HB3 SER 2 1HB SER 2 -7.785 14.493 8.059 14 HG SER 2 HG SER 2 -10.247 14.283 9.207 15 H HIS 3 H HIS 3 -9.178 10.605 7.911 16 HA HIS 3 HA HIS 3 -6.730 9.444 6.881 17 HB2 HIS 3 2HB HIS 3 -5.909 8.690 9.042 18 HB3 HIS 3 1HB HIS 3 -6.035 10.445 9.034 19 HD1 HIS 3 1HD HIS 3 -8.893 10.922 9.830 20 HD2 HIS 3 2HD HIS 3 -6.542 7.967 11.563 21 HE1 HIS 3 1HE HIS 3 -9.945 10.450 12.063 22 HE2 HIS 3 2HE HIS 3 -8.459 8.716 13.128 23 H SER 4 H SER 4 -9.190 8.821 6.040 24 HA SER 4 HA SER 4 -9.373 6.058 6.438 25 HB2 SER 4 2HB SER 4 -11.594 5.974 7.611 26 HB3 SER 4 1HB SER 4 -10.260 6.513 8.631 27 HG SER 4 HG SER 4 -12.045 8.259 7.285 28 H GLY 5 H GLY 5 -10.321 5.243 4.665 29 HA2 GLY 5 2HA GLY 5 -12.526 6.696 3.409 30 HA3 GLY 5 1HA GLY 5 -11.077 6.452 2.443 31 H ALA 6 H ALA 6 -13.688 5.429 1.840 32 HA ALA 6 HA ALA 6 -13.836 2.683 2.578 33 HB1 ALA 6 1HB ALA 6 -15.461 2.645 0.555 34 HB2 ALA 6 2HB ALA 6 -15.256 4.397 0.586 35 HB3 ALA 6 3HB ALA 6 -15.891 3.559 2.002 36 H ALA 7 H ALA 7 -12.285 1.316 2.019 37 HA ALA 7 HA ALA 7 -11.249 1.419 -0.742 38 HB1 ALA 7 1HB ALA 7 -9.167 0.645 0.009 39 HB2 ALA 7 2HB ALA 7 -9.823 0.113 1.555 40 HB3 ALA 7 3HB ALA 7 -9.651 1.837 1.218 41 H ILE 8 H ILE 8 -10.944 -0.538 -1.875 42 HA ILE 8 HA ILE 8 -12.717 -2.682 -0.975 43 HB ILE 8 HB ILE 8 -11.674 -1.884 -3.665 44 HG12 ILE 8 2HG1 ILE 8 -14.398 -2.645 -3.668 45 HG13 ILE 8 1HG1 ILE 8 -14.136 -1.693 -2.212 46 HG21 ILE 8 1HG2 ILE 8 -12.740 -3.927 -4.601 47 HG22 ILE 8 2HG2 ILE 8 -12.862 -4.559 -2.960 48 HG23 ILE 8 3HG2 ILE 8 -11.278 -4.243 -3.666 49 HD11 ILE 8 3HD1 ILE 8 -14.845 -0.422 -4.235 50 HD12 ILE 8 1HD1 ILE 8 -13.264 -0.792 -4.923 51 HD13 ILE 8 2HD1 ILE 8 -13.381 0.152 -3.437 52 H PHE 9 H PHE 9 -12.071 -4.830 -0.838 53 HA PHE 9 HA PHE 9 -9.295 -5.517 -1.371 54 HB2 PHE 9 2HB PHE 9 -9.422 -4.611 0.994 55 HB3 PHE 9 1HB PHE 9 -10.451 -5.987 1.381 56 HD1 PHE 9 1HD PHE 9 -7.213 -5.409 -0.391 57 HD2 PHE 9 2HD PHE 9 -9.398 -7.715 2.441 58 HE1 PHE 9 1HE PHE 9 -5.214 -6.780 0.030 59 HE2 PHE 9 2HE PHE 9 -7.402 -9.089 2.868 60 HZ PHE 9 HZ PHE 9 -5.306 -8.622 1.661 61 H GLU 10 H GLU 10 -9.181 -7.518 -2.187 62 HA GLU 10 HA GLU 10 -9.745 -9.635 -2.800 63 HB2 GLU 10 2HB GLU 10 -11.579 -9.604 -0.397 64 HB3 GLU 10 1HB GLU 10 -10.990 -11.024 -1.250 65 HG2 GLU 10 2HG GLU 10 -8.661 -9.802 -0.571 66 HG3 GLU 10 1HG GLU 10 -9.696 -9.376 0.791 67 H LYS 11 H LYS 11 -11.202 -7.317 -3.771 68 HA LYS 11 HA LYS 11 -12.808 -7.016 -5.365 69 HB2 LYS 11 2HB LYS 11 -14.025 -9.677 -4.647 70 HB3 LYS 11 1HB LYS 11 -14.192 -8.776 -6.147 71 HG2 LYS 11 2HG LYS 11 -12.268 -9.566 -6.995 72 HG3 LYS 11 1HG LYS 11 -11.438 -9.523 -5.439 73 HD2 LYS 11 2HD LYS 11 -12.588 -11.558 -4.752 74 HD3 LYS 11 1HD LYS 11 -13.475 -11.588 -6.278 75 HE2 LYS 11 2HE LYS 11 -10.956 -11.469 -7.208 76 HE3 LYS 11 1HE LYS 11 -10.674 -12.317 -5.688 77 HZ1 LYS 11 3HZ LYS 11 -12.794 -13.200 -7.541 78 HZ2 LYS 11 1HZ LYS 11 -12.001 -14.085 -6.337 79 HZ3 LYS 11 2HZ LYS 11 -11.191 -13.688 -7.767 80 H VAL 12 H VAL 12 -13.285 -7.351 -2.095 81 HA VAL 12 HA VAL 12 -16.096 -6.528 -2.265 82 HB VAL 12 HB VAL 12 -15.566 -8.467 -0.807 83 HG11 VAL 12 1HG1 VAL 12 -13.643 -8.313 0.324 84 HG12 VAL 12 2HG1 VAL 12 -14.629 -7.484 1.526 85 HG13 VAL 12 3HG1 VAL 12 -13.685 -6.551 0.368 86 HG21 VAL 12 3HG2 VAL 12 -17.379 -7.907 0.353 87 HG22 VAL 12 1HG2 VAL 12 -17.223 -6.274 -0.295 88 HG23 VAL 12 2HG2 VAL 12 -16.485 -6.682 1.256 89 H SER 13 H SER 13 -16.787 -4.602 -1.391 90 HA SER 13 HA SER 13 -14.675 -2.653 -0.945 91 HB2 SER 13 2HB SER 13 -16.553 -0.989 -1.055 92 HB3 SER 13 1HB SER 13 -16.349 -1.956 -2.516 93 HG SER 13 HG SER 13 -18.228 -2.475 -0.451 94 H GLY 14 H GLY 14 -14.140 -1.877 0.971 95 HA2 GLY 14 2HA GLY 14 -16.042 -2.210 3.201 96 HA3 GLY 14 1HA GLY 14 -14.353 -2.669 3.374 97 H ILE 15 H ILE 15 -13.759 -1.243 4.930 98 HA ILE 15 HA ILE 15 -13.709 1.580 4.116 99 HB ILE 15 HB ILE 15 -14.169 0.803 6.979 100 HG12 ILE 15 2HG1 ILE 15 -16.020 -0.049 5.483 101 HG13 ILE 15 1HG1 ILE 15 -16.523 1.078 6.737 102 HG21 ILE 15 1HG2 ILE 15 -14.252 3.332 5.387 103 HG22 ILE 15 2HG2 ILE 15 -13.411 2.987 6.905 104 HG23 ILE 15 3HG2 ILE 15 -15.166 3.194 6.889 105 HD11 ILE 15 3HD1 ILE 15 -15.966 1.933 3.916 106 HD12 ILE 15 1HD1 ILE 15 -16.819 2.818 5.181 107 HD13 ILE 15 2HD1 ILE 15 -17.552 1.383 4.463 108 H ILE 16 H ILE 16 -11.698 2.270 4.074 109 HA ILE 16 HA ILE 16 -9.677 0.862 5.645 110 HB ILE 16 HB ILE 16 -9.699 2.236 3.079 111 HG12 ILE 16 2HG1 ILE 16 -7.773 0.353 4.445 112 HG13 ILE 16 1HG1 ILE 16 -9.061 -0.086 3.331 113 HG21 ILE 16 1HG2 ILE 16 -7.533 3.255 3.136 114 HG22 ILE 16 2HG2 ILE 16 -7.335 2.837 4.839 115 HG23 ILE 16 3HG2 ILE 16 -8.560 4.011 4.353 116 HD11 ILE 16 3HD1 ILE 16 -7.666 0.107 1.631 117 HD12 ILE 16 1HD1 ILE 16 -6.372 0.531 2.751 118 HD13 ILE 16 2HD1 ILE 16 -7.373 1.798 2.042 119 H ALA 17 H ALA 17 -8.959 1.706 7.485 120 HA ALA 17 HA ALA 17 -9.072 4.613 7.849 121 HB1 ALA 17 1HB ALA 17 -10.038 2.737 9.990 122 HB2 ALA 17 2HB ALA 17 -11.123 3.456 8.789 123 HB3 ALA 17 3HB ALA 17 -10.219 4.492 9.901 124 H ILE 18 H ILE 18 -7.301 5.432 8.730 125 HA ILE 18 HA ILE 18 -5.170 3.659 9.551 126 HB ILE 18 HB ILE 18 -5.265 6.672 9.351 127 HG12 ILE 18 2HG1 ILE 18 -3.686 6.123 7.379 128 HG13 ILE 18 1HG1 ILE 18 -4.332 4.489 7.504 129 HG21 ILE 18 1HG2 ILE 18 -2.612 5.721 9.219 130 HG22 ILE 18 2HG2 ILE 18 -3.358 4.973 10.631 131 HG23 ILE 18 3HG2 ILE 18 -3.349 6.728 10.466 132 HD11 ILE 18 3HD1 ILE 18 -5.371 6.346 5.910 133 HD12 ILE 18 1HD1 ILE 18 -6.298 6.686 7.372 134 HD13 ILE 18 2HD1 ILE 18 -6.340 5.075 6.656 135 H ASN 19 H ASN 19 -4.851 3.029 11.571 136 HA ASN 19 HA ASN 19 -6.251 4.307 13.756 137 HB2 ASN 19 2HB ASN 19 -5.834 1.758 13.395 138 HB3 ASN 19 1HB ASN 19 -4.253 2.091 14.095 139 HD21 ASN 19 1HD2 ASN 19 -4.369 1.208 16.050 140 HD22 ASN 19 2HD2 ASN 19 -5.571 1.568 17.238 141 H GLU 20 H GLU 20 -5.328 6.281 14.139 142 HA GLU 20 HA GLU 20 -2.446 6.491 14.445 143 HB2 GLU 20 2HB GLU 20 -4.640 8.559 14.652 144 HB3 GLU 20 1HB GLU 20 -2.924 8.910 14.814 145 HG2 GLU 20 2HG GLU 20 -3.006 7.578 12.435 146 HG3 GLU 20 1HG GLU 20 -4.535 8.457 12.423 147 H ASP 21 H ASP 21 -4.423 5.089 16.382 148 HA ASP 21 HA ASP 21 -3.974 6.596 18.823 149 HB2 ASP 21 2HB ASP 21 -6.029 5.015 18.071 150 HB3 ASP 21 1HB ASP 21 -5.060 3.840 18.956 151 H VAL 22 H VAL 22 -2.420 4.207 16.987 152 HA VAL 22 HA VAL 22 -0.992 3.040 19.238 153 HB VAL 22 HB VAL 22 0.125 1.658 17.497 154 HG11 VAL 22 1HG1 VAL 22 -2.806 1.743 17.906 155 HG12 VAL 22 2HG1 VAL 22 -1.642 0.475 18.294 156 HG13 VAL 22 3HG1 VAL 22 -2.197 0.685 16.633 157 HG21 VAL 22 3HG2 VAL 22 -0.366 1.831 15.225 158 HG22 VAL 22 1HG2 VAL 22 -0.200 3.508 15.742 159 HG23 VAL 22 2HG2 VAL 22 -1.804 2.812 15.514 160 H SER 23 H SER 23 1.519 2.632 18.078 161 HA SER 23 HA SER 23 2.628 5.313 18.334 162 HB2 SER 23 2HB SER 23 3.573 2.591 18.879 163 HB3 SER 23 1HB SER 23 4.787 3.624 18.127 164 HG SER 23 HG SER 23 4.591 5.059 19.805 165 HA PRO 24 HA PRO 24 4.585 4.162 14.167 166 HB2 PRO 24 2HB PRO 24 4.292 1.733 13.094 167 HB3 PRO 24 1HB PRO 24 5.507 2.059 14.333 168 HG2 PRO 24 2HG PRO 24 2.838 0.743 14.580 169 HG3 PRO 24 1HG PRO 24 4.366 0.333 15.377 170 HD2 PRO 24 2HD PRO 24 2.320 1.763 16.549 171 HD3 PRO 24 1HD PRO 24 4.016 1.827 17.061 172 H ALA 25 H ALA 25 1.485 3.819 14.882 173 HA ALA 25 HA ALA 25 -0.497 4.192 13.833 174 HB1 ALA 25 1HB ALA 25 -0.346 5.991 12.548 175 HB2 ALA 25 2HB ALA 25 0.422 5.061 11.259 176 HB3 ALA 25 3HB ALA 25 1.407 5.782 12.535 177 H GLU 26 H GLU 26 -1.895 2.856 12.873 178 HA GLU 26 HA GLU 26 -0.840 0.935 10.900 179 HB2 GLU 26 2HB GLU 26 -2.879 0.469 13.081 180 HB3 GLU 26 1HB GLU 26 -2.502 -0.687 11.812 181 HG2 GLU 26 2HG GLU 26 -0.095 -0.550 12.640 182 HG3 GLU 26 1HG GLU 26 -0.762 0.250 14.062 183 H LEU 27 H LEU 27 -2.708 -0.144 9.688 184 HA LEU 27 HA LEU 27 -4.805 1.807 9.026 185 HB2 LEU 27 2HB LEU 27 -3.036 1.870 7.316 186 HB3 LEU 27 1HB LEU 27 -3.202 0.142 7.079 187 HG LEU 27 HG LEU 27 -5.759 1.403 6.720 188 HD11 LEU 27 1HD1 LEU 27 -4.029 2.339 4.544 189 HD12 LEU 27 2HD1 LEU 27 -3.830 3.196 6.073 190 HD13 LEU 27 3HD1 LEU 27 -5.418 3.112 5.309 191 HD21 LEU 27 3HD2 LEU 27 -3.947 0.044 4.729 192 HD22 LEU 27 1HD2 LEU 27 -5.695 0.257 4.608 193 HD23 LEU 27 2HD2 LEU 27 -5.017 -0.799 5.850 194 H THR 28 H THR 28 -6.654 0.847 9.681 195 HA THR 28 HA THR 28 -6.889 -2.063 9.345 196 HB THR 28 HB THR 28 -8.689 -0.351 11.036 197 HG1 THR 28 1HG THR 28 -6.781 0.060 11.963 198 HG21 THR 28 3HG2 THR 28 -9.386 -2.677 10.607 199 HG22 THR 28 1HG2 THR 28 -9.055 -2.349 12.308 200 HG23 THR 28 2HG2 THR 28 -7.878 -3.231 11.335 201 H TRP 29 H TRP 29 -8.015 -2.740 7.671 202 HA TRP 29 HA TRP 29 -10.009 -1.047 6.430 203 HB2 TRP 29 2HB TRP 29 -8.488 -2.163 4.926 204 HB3 TRP 29 1HB TRP 29 -8.829 -3.724 5.667 205 HD1 TRP 29 HD TRP 29 -10.650 -1.012 3.634 206 HE1 TRP 29 1HE TRP 29 -12.472 -2.155 2.197 207 HE3 TRP 29 3HE TRP 29 -10.129 -5.779 5.357 208 HZ2 TRP 29 2HZ TRP 29 -13.538 -4.757 1.865 209 HZ3 TRP 29 3HZ TRP 29 -11.586 -7.538 4.444 210 HH2 TRP 29 HH TRP 29 -13.252 -7.035 2.737 211 H ARG 30 H ARG 30 -11.978 -1.098 7.308 212 HA ARG 30 HA ARG 30 -13.011 -3.678 8.294 213 HB2 ARG 30 2HB ARG 30 -12.822 -1.417 9.727 214 HB3 ARG 30 1HB ARG 30 -14.394 -1.141 8.991 215 HG2 ARG 30 2HG ARG 30 -15.394 -2.794 10.173 216 HG3 ARG 30 1HG ARG 30 -13.939 -3.791 10.221 217 HD2 ARG 30 2HD ARG 30 -12.974 -2.370 11.919 218 HD3 ARG 30 1HD ARG 30 -14.340 -1.260 11.811 219 HE ARG 30 HE ARG 30 -14.239 -3.755 13.232 220 HH11 ARG 30 1HH1 ARG 30 -16.331 -1.420 11.700 221 HH12 ARG 30 2HH1 ARG 30 -17.722 -1.869 12.630 222 HH21 ARG 30 1HH2 ARG 30 -16.067 -4.348 14.456 223 HH22 ARG 30 2HH2 ARG 30 -17.571 -3.531 14.195 224 H SER 31 H SER 31 -14.402 -4.636 6.967 225 HA SER 31 HA SER 31 -15.412 -3.671 4.622 226 HB2 SER 31 2HB SER 31 -15.819 -5.904 4.707 227 HB3 SER 31 1HB SER 31 -16.150 -5.878 6.440 228 HG SER 31 HG SER 31 -17.946 -6.268 4.800 229 H THR 32 H THR 32 -17.789 -3.344 4.075 230 HA THR 32 HA THR 32 -18.726 -1.058 5.500 231 HB THR 32 HB THR 32 -20.705 -2.107 3.727 232 HG1 THR 32 1HG THR 32 -19.488 -2.293 1.856 233 HG21 THR 32 3HG2 THR 32 -18.793 0.166 3.280 234 HG22 THR 32 1HG2 THR 32 -20.311 0.280 4.169 235 HG23 THR 32 2HG2 THR 32 -20.324 -0.112 2.450 236 H ASP 33 H ASP 33 -19.703 -4.378 5.113 237 HA ASP 33 HA ASP 33 -21.910 -4.051 6.958 238 HB2 ASP 33 2HB ASP 33 -22.114 -5.426 4.855 239 HB3 ASP 33 1HB ASP 33 -21.023 -6.591 5.599 240 H GLY 34 H GLY 34 -18.751 -5.505 6.799 241 HA2 GLY 34 2HA GLY 34 -17.463 -5.674 8.845 242 HA3 GLY 34 1HA GLY 34 -18.951 -6.081 9.685 243 H ASP 35 H ASP 35 -18.467 -7.525 6.604 244 HA ASP 35 HA ASP 35 -18.204 -10.126 7.874 245 HB2 ASP 35 2HB ASP 35 -19.815 -9.534 5.936 246 HB3 ASP 35 1HB ASP 35 -18.390 -9.663 4.909 247 H LYS 36 H LYS 36 -16.234 -7.810 6.307 248 HA LYS 36 HA LYS 36 -14.009 -9.724 6.325 249 HB2 LYS 36 2HB LYS 36 -14.588 -7.756 4.104 250 HB3 LYS 36 1HB LYS 36 -13.144 -8.752 4.227 251 HG2 LYS 36 2HG LYS 36 -14.677 -10.758 4.188 252 HG3 LYS 36 1HG LYS 36 -15.970 -9.643 3.743 253 HD2 LYS 36 2HD LYS 36 -15.232 -9.452 1.635 254 HD3 LYS 36 1HD LYS 36 -13.547 -9.324 2.141 255 HE2 LYS 36 2HE LYS 36 -14.774 -11.981 2.461 256 HE3 LYS 36 1HE LYS 36 -14.574 -11.433 0.798 257 HZ1 LYS 36 3HZ LYS 36 -12.335 -11.263 2.709 258 HZ2 LYS 36 1HZ LYS 36 -12.289 -11.332 1.019 259 HZ3 LYS 36 2HZ LYS 36 -12.671 -12.716 1.910 260 H VAL 37 H VAL 37 -12.070 -8.937 6.994 261 HA VAL 37 HA VAL 37 -11.785 -6.067 7.439 262 HB VAL 37 HB VAL 37 -12.615 -7.666 9.512 263 HG11 VAL 37 1HG1 VAL 37 -10.345 -8.750 9.497 264 HG12 VAL 37 2HG1 VAL 37 -10.838 -8.041 11.035 265 HG13 VAL 37 3HG1 VAL 37 -9.684 -7.195 10.004 266 HG21 VAL 37 3HG2 VAL 37 -11.048 -5.097 9.593 267 HG22 VAL 37 1HG2 VAL 37 -11.963 -5.757 10.949 268 HG23 VAL 37 2HG2 VAL 37 -12.798 -5.279 9.471 269 H HIS 38 H HIS 38 -9.581 -5.414 7.900 270 HA HIS 38 HA HIS 38 -7.455 -7.338 7.611 271 HB2 HIS 38 2HB HIS 38 -8.375 -6.687 5.247 272 HB3 HIS 38 1HB HIS 38 -7.492 -5.189 5.520 273 HD1 HIS 38 1HD HIS 38 -7.005 -8.819 4.826 274 HD2 HIS 38 2HD HIS 38 -4.690 -5.432 5.486 275 HE1 HIS 38 1HE HIS 38 -4.667 -9.463 4.160 276 HE2 HIS 38 2HE HIS 38 -3.269 -7.426 4.651 277 H THR 39 H THR 39 -5.441 -6.517 8.227 278 HA THR 39 HA THR 39 -5.455 -3.727 9.178 279 HB THR 39 HB THR 39 -3.870 -5.795 10.635 280 HG1 THR 39 1HG THR 39 -5.657 -6.326 11.878 281 HG21 THR 39 3HG2 THR 39 -5.498 -3.651 11.903 282 HG22 THR 39 1HG2 THR 39 -3.980 -3.235 11.107 283 HG23 THR 39 2HG2 THR 39 -3.989 -4.392 12.438 284 H VAL 40 H VAL 40 -3.748 -2.518 8.638 285 HA VAL 40 HA VAL 40 -1.351 -3.849 7.561 286 HB VAL 40 HB VAL 40 -2.982 -1.675 6.349 287 HG11 VAL 40 1HG1 VAL 40 -0.962 -0.460 6.590 288 HG12 VAL 40 2HG1 VAL 40 -0.982 -1.052 4.929 289 HG13 VAL 40 3HG1 VAL 40 0.014 -1.859 6.141 290 HG21 VAL 40 3HG2 VAL 40 -1.511 -4.109 5.432 291 HG22 VAL 40 1HG2 VAL 40 -2.091 -2.900 4.282 292 HG23 VAL 40 2HG2 VAL 40 -3.238 -3.752 5.318 293 H VAL 41 H VAL 41 0.499 -3.170 8.398 294 HA VAL 41 HA VAL 41 0.348 -0.836 10.159 295 HB VAL 41 HB VAL 41 2.394 -3.058 10.105 296 HG11 VAL 41 1HG1 VAL 41 3.211 -1.957 12.228 297 HG12 VAL 41 2HG1 VAL 41 2.260 -0.545 11.767 298 HG13 VAL 41 3HG1 VAL 41 3.580 -1.095 10.735 299 HG21 VAL 41 3HG2 VAL 41 1.425 -3.271 12.507 300 HG22 VAL 41 1HG2 VAL 41 0.520 -3.931 11.145 301 HG23 VAL 41 2HG2 VAL 41 0.057 -2.376 11.840 302 H LEU 42 H LEU 42 0.839 0.964 9.166 303 HA LEU 42 HA LEU 42 2.259 1.314 6.835 304 HB2 LEU 42 2HB LEU 42 1.757 3.131 9.170 305 HB3 LEU 42 1HB LEU 42 2.669 3.678 7.776 306 HG LEU 42 HG LEU 42 0.404 4.409 7.521 307 HD11 LEU 42 1HD1 LEU 42 1.758 3.061 5.620 308 HD12 LEU 42 2HD1 LEU 42 0.205 3.853 5.350 309 HD13 LEU 42 3HD1 LEU 42 0.266 2.121 5.676 310 HD21 LEU 42 3HD2 LEU 42 -0.617 1.597 7.552 311 HD22 LEU 42 1HD2 LEU 42 -1.496 3.108 7.786 312 HD23 LEU 42 2HD2 LEU 42 -0.439 2.495 9.059 313 H SER 43 H SER 43 3.480 0.764 10.036 314 HA SER 43 HA SER 43 6.085 1.796 9.669 315 HB2 SER 43 2HB SER 43 4.652 0.383 11.719 316 HB3 SER 43 1HB SER 43 6.232 -0.365 11.488 317 HG SER 43 HG SER 43 7.056 1.874 11.613 318 H THR 44 H THR 44 4.580 -1.238 8.908 319 HA THR 44 HA THR 44 7.091 -2.481 8.141 320 HB THR 44 HB THR 44 5.922 -4.487 7.932 321 HG1 THR 44 1HG THR 44 3.595 -2.929 7.501 322 HG21 THR 44 3HG2 THR 44 4.341 -2.875 9.915 323 HG22 THR 44 1HG2 THR 44 5.747 -3.892 10.239 324 HG23 THR 44 2HG2 THR 44 4.225 -4.626 9.732 325 H ILE 45 H ILE 45 4.267 -1.054 6.733 326 HA ILE 45 HA ILE 45 4.343 -1.816 4.125 327 HB ILE 45 HB ILE 45 3.827 0.966 5.177 328 HG12 ILE 45 2HG1 ILE 45 2.259 -0.547 6.124 329 HG13 ILE 45 1HG1 ILE 45 1.424 0.232 4.785 330 HG21 ILE 45 1HG2 ILE 45 4.354 1.040 2.790 331 HG22 ILE 45 2HG2 ILE 45 2.653 1.399 3.086 332 HG23 ILE 45 3HG2 ILE 45 3.126 -0.188 2.481 333 HD11 ILE 45 3HD1 ILE 45 2.392 -1.922 3.519 334 HD12 ILE 45 1HD1 ILE 45 0.825 -1.887 4.325 335 HD13 ILE 45 2HD1 ILE 45 2.222 -2.577 5.147 336 H ASP 46 H ASP 46 6.272 -2.191 3.166 337 HA ASP 46 HA ASP 46 8.599 -0.724 3.340 338 HB2 ASP 46 2HB ASP 46 7.828 -2.977 2.000 339 HB3 ASP 46 1HB ASP 46 8.095 -1.853 0.671 340 H LYS 47 H LYS 47 5.754 -0.097 1.365 341 HA LYS 47 HA LYS 47 6.452 2.595 0.966 342 HB2 LYS 47 2HB LYS 47 6.666 2.358 -1.606 343 HB3 LYS 47 1HB LYS 47 8.078 2.066 -0.602 344 HG2 LYS 47 2HG LYS 47 7.293 -0.416 -0.709 345 HG3 LYS 47 1HG LYS 47 6.406 0.136 -2.130 346 HD2 LYS 47 2HD LYS 47 8.667 1.163 -2.851 347 HD3 LYS 47 1HD LYS 47 9.363 0.063 -1.659 348 HE2 LYS 47 2HE LYS 47 7.721 -1.621 -2.990 349 HE3 LYS 47 1HE LYS 47 8.147 -0.501 -4.282 350 HZ1 LYS 47 3HZ LYS 47 10.523 -0.887 -3.606 351 HZ2 LYS 47 1HZ LYS 47 9.745 -2.207 -4.324 352 HZ3 LYS 47 2HZ LYS 47 9.971 -2.166 -2.648 353 H LEU 48 H LEU 48 4.936 3.742 -0.397 354 HA LEU 48 HA LEU 48 2.369 2.314 -0.603 355 HB2 LEU 48 2HB LEU 48 2.303 4.142 0.973 356 HB3 LEU 48 1HB LEU 48 2.993 5.239 -0.204 357 HG LEU 48 HG LEU 48 0.762 4.500 -1.528 358 HD11 LEU 48 1HD1 LEU 48 -0.469 3.242 -0.118 359 HD12 LEU 48 2HD1 LEU 48 -0.950 4.817 0.511 360 HD13 LEU 48 3HD1 LEU 48 0.315 3.894 1.321 361 HD21 LEU 48 3HD2 LEU 48 1.486 6.727 0.265 362 HD22 LEU 48 1HD2 LEU 48 -0.222 6.581 -0.151 363 HD23 LEU 48 2HD2 LEU 48 0.986 6.744 -1.426 364 H GLN 49 H GLN 49 1.034 2.756 -2.421 365 HA GLN 49 HA GLN 49 2.167 4.205 -4.665 366 HB2 GLN 49 2HB GLN 49 1.547 1.253 -4.872 367 HB3 GLN 49 1HB GLN 49 2.009 2.298 -6.206 368 HG2 GLN 49 2HG GLN 49 4.184 2.667 -5.179 369 HG3 GLN 49 1HG GLN 49 3.722 1.647 -3.818 370 HE21 GLN 49 1HE2 GLN 49 2.545 -0.470 -4.946 371 HE22 GLN 49 2HE2 GLN 49 3.650 -1.316 -5.985 372 H ALA 50 H ALA 50 0.601 5.162 -5.827 373 HA ALA 50 HA ALA 50 -2.110 4.046 -5.737 374 HB1 ALA 50 1HB ALA 50 -1.557 6.967 -5.255 375 HB2 ALA 50 2HB ALA 50 -1.870 5.797 -3.973 376 HB3 ALA 50 3HB ALA 50 -3.113 6.140 -5.177 377 H THR 51 H THR 51 -3.472 4.687 -7.457 378 HA THR 51 HA THR 51 -2.008 5.323 -9.888 379 HB THR 51 HB THR 51 -4.186 4.819 -11.003 380 HG1 THR 51 1HG THR 51 -5.488 5.412 -9.160 381 HG21 THR 51 3HG2 THR 51 -3.433 2.749 -11.101 382 HG22 THR 51 1HG2 THR 51 -4.204 2.416 -9.550 383 HG23 THR 51 2HG2 THR 51 -2.530 2.971 -9.603 384 HA PRO 52 HA PRO 52 -2.931 9.712 -9.113 385 HB2 PRO 52 2HB PRO 52 -1.764 10.351 -11.572 386 HB3 PRO 52 1HB PRO 52 -0.941 10.337 -10.008 387 HG2 PRO 52 2HG PRO 52 -1.085 8.189 -12.088 388 HG3 PRO 52 1HG PRO 52 0.312 8.729 -11.137 389 HD2 PRO 52 2HD PRO 52 -0.914 6.511 -10.478 390 HD3 PRO 52 1HD PRO 52 -0.483 7.667 -9.195 391 H ALA 53 H ALA 53 -4.129 11.325 -10.335 392 HA ALA 53 HA ALA 53 -6.490 10.360 -11.457 393 HB1 ALA 53 1HB ALA 53 -6.953 12.669 -12.085 394 HB2 ALA 53 2HB ALA 53 -5.265 13.094 -11.801 395 HB3 ALA 53 3HB ALA 53 -6.284 12.580 -10.456 396 H SER 54 H SER 54 -3.395 10.741 -12.894 397 HA SER 54 HA SER 54 -4.238 11.154 -15.580 398 HB2 SER 54 2HB SER 54 -1.640 9.898 -14.688 399 HB3 SER 54 1HB SER 54 -1.958 10.765 -16.190 400 HG SER 54 HG SER 54 -0.854 12.012 -14.550 401 H SER 55 H SER 55 -4.097 8.409 -13.530 402 HA SER 55 HA SER 55 -4.197 6.540 -15.774 403 HB2 SER 55 2HB SER 55 -3.891 6.193 -12.796 404 HB3 SER 55 1HB SER 55 -4.256 4.828 -13.851 405 HG SER 55 HG SER 55 -1.906 5.728 -13.327 406 H GLU 56 H GLU 56 -6.070 5.893 -16.587 407 HA GLU 56 HA GLU 56 -8.562 6.729 -15.661 408 HB2 GLU 56 2HB GLU 56 -7.621 4.718 -17.641 409 HB3 GLU 56 1HB GLU 56 -9.301 4.631 -17.130 410 HG2 GLU 56 2HG GLU 56 -9.025 7.286 -17.658 411 HG3 GLU 56 1HG GLU 56 -7.953 6.565 -18.858 412 H LYS 57 H LYS 57 -6.609 4.074 -14.686 413 HA LYS 57 HA LYS 57 -8.833 2.745 -13.340 414 HB2 LYS 57 2HB LYS 57 -5.939 1.985 -13.729 415 HB3 LYS 57 1HB LYS 57 -7.051 1.057 -12.733 416 HG2 LYS 57 2HG LYS 57 -7.154 -0.076 -14.724 417 HG3 LYS 57 1HG LYS 57 -8.521 1.028 -14.877 418 HD2 LYS 57 2HD LYS 57 -6.421 2.501 -15.872 419 HD3 LYS 57 1HD LYS 57 -6.061 0.868 -16.434 420 HE2 LYS 57 2HE LYS 57 -8.189 0.696 -17.511 421 HE3 LYS 57 1HE LYS 57 -8.739 2.204 -16.780 422 HZ1 LYS 57 3HZ LYS 57 -7.038 1.777 -19.091 423 HZ2 LYS 57 1HZ LYS 57 -6.558 3.033 -18.063 424 HZ3 LYS 57 2HZ LYS 57 -8.103 3.046 -18.749 425 H MET 58 H MET 58 -9.356 3.351 -11.353 426 HA MET 58 HA MET 58 -7.371 4.711 -9.692 427 HB2 MET 58 2HB MET 58 -10.293 4.347 -9.054 428 HB3 MET 58 1HB MET 58 -9.181 5.543 -8.403 429 HG2 MET 58 2HG MET 58 -9.126 6.016 -11.121 430 HG3 MET 58 1HG MET 58 -10.812 5.623 -10.797 431 HE1 MET 58 3HE MET 58 -7.931 8.199 -10.359 432 HE2 MET 58 1HE MET 58 -7.976 7.445 -8.765 433 HE3 MET 58 2HE MET 58 -8.459 9.130 -8.957 434 H MET 59 H MET 59 -6.146 3.334 -8.560 435 HA MET 59 HA MET 59 -7.443 1.559 -6.674 436 HB2 MET 59 2HB MET 59 -5.662 0.558 -8.885 437 HB3 MET 59 1HB MET 59 -5.868 -0.335 -7.386 438 HG2 MET 59 2HG MET 59 -7.550 -1.336 -8.449 439 HG3 MET 59 1HG MET 59 -8.449 0.136 -8.087 440 HE1 MET 59 3HE MET 59 -6.362 -0.787 -12.078 441 HE2 MET 59 1HE MET 59 -5.995 -1.497 -10.506 442 HE3 MET 59 2HE MET 59 -5.489 0.154 -10.868 443 H LEU 60 H LEU 60 -6.266 1.246 -4.841 444 HA LEU 60 HA LEU 60 -3.720 2.701 -4.683 445 HB2 LEU 60 2HB LEU 60 -5.977 2.689 -3.060 446 HB3 LEU 60 1HB LEU 60 -4.810 1.745 -2.160 447 HG LEU 60 HG LEU 60 -4.600 3.972 -1.397 448 HD11 LEU 60 1HD1 LEU 60 -2.373 3.966 -3.366 449 HD12 LEU 60 2HD1 LEU 60 -2.485 2.645 -2.203 450 HD13 LEU 60 3HD1 LEU 60 -2.352 4.309 -1.637 451 HD21 LEU 60 3HD2 LEU 60 -4.347 4.854 -4.267 452 HD22 LEU 60 1HD2 LEU 60 -4.313 5.888 -2.839 453 HD23 LEU 60 2HD2 LEU 60 -5.792 5.031 -3.272 454 H ARG 61 H ARG 61 -1.867 1.761 -3.843 455 HA ARG 61 HA ARG 61 -1.962 -1.141 -3.371 456 HB2 ARG 61 2HB ARG 61 -0.191 0.436 -5.187 457 HB3 ARG 61 1HB ARG 61 0.460 -0.998 -4.406 458 HG2 ARG 61 2HG ARG 61 -1.349 -2.337 -5.374 459 HG3 ARG 61 1HG ARG 61 -1.971 -0.894 -6.177 460 HD2 ARG 61 2HD ARG 61 -0.569 -1.206 -7.870 461 HD3 ARG 61 1HD ARG 61 0.806 -1.137 -6.769 462 HE ARG 61 HE ARG 61 -0.392 -3.687 -6.645 463 HH11 ARG 61 1HH1 ARG 61 1.557 -1.706 -8.755 464 HH12 ARG 61 2HH1 ARG 61 2.320 -3.056 -9.525 465 HH21 ARG 61 1HH2 ARG 61 0.611 -5.465 -7.656 466 HH22 ARG 61 2HH2 ARG 61 1.784 -5.190 -8.901 467 H LEU 62 H LEU 62 -0.709 -1.935 -1.746 468 HA LEU 62 HA LEU 62 0.934 -0.009 -0.240 469 HB2 LEU 62 2HB LEU 62 -1.477 -0.977 0.600 470 HB3 LEU 62 1HB LEU 62 -0.373 -2.132 1.314 471 HG LEU 62 HG LEU 62 0.321 -0.682 2.891 472 HD11 LEU 62 1HD1 LEU 62 0.686 1.731 2.531 473 HD12 LEU 62 2HD1 LEU 62 0.166 1.527 0.857 474 HD13 LEU 62 3HD1 LEU 62 1.618 0.710 1.436 475 HD21 LEU 62 3HD2 LEU 62 -2.097 0.808 1.913 476 HD22 LEU 62 1HD2 LEU 62 -1.353 0.992 3.501 477 HD23 LEU 62 2HD2 LEU 62 -2.092 -0.543 3.048 478 H ILE 63 H ILE 63 2.980 -0.658 -0.300 479 HA ILE 63 HA ILE 63 3.631 -3.463 -0.677 480 HB ILE 63 HB ILE 63 5.416 -1.029 -0.483 481 HG12 ILE 63 2HG1 ILE 63 4.074 -1.027 -2.503 482 HG13 ILE 63 1HG1 ILE 63 5.734 -1.442 -2.917 483 HG21 ILE 63 1HG2 ILE 63 7.223 -2.471 -1.238 484 HG22 ILE 63 2HG2 ILE 63 6.138 -3.861 -1.235 485 HG23 ILE 63 3HG2 ILE 63 6.558 -3.067 0.283 486 HD11 ILE 63 3HD1 ILE 63 3.283 -3.057 -3.071 487 HD12 ILE 63 1HD1 ILE 63 4.748 -3.895 -2.560 488 HD13 ILE 63 2HD1 ILE 63 4.710 -3.045 -4.107 489 H GLY 64 H GLY 64 4.221 -4.813 0.899 490 HA2 GLY 64 2HA GLY 64 4.455 -3.725 3.614 491 HA3 GLY 64 1HA GLY 64 4.146 -5.403 3.199 492 H LYS 65 H LYS 65 6.026 -4.750 5.110 493 HA LYS 65 HA LYS 65 8.645 -4.408 4.234 494 HB2 LYS 65 2HB LYS 65 7.443 -4.771 6.661 495 HB3 LYS 65 1HB LYS 65 8.324 -6.281 6.480 496 HG2 LYS 65 2HG LYS 65 9.701 -4.729 7.663 497 HG3 LYS 65 1HG LYS 65 10.384 -4.969 6.053 498 HD2 LYS 65 2HD LYS 65 9.383 -2.884 5.299 499 HD3 LYS 65 1HD LYS 65 8.634 -2.654 6.880 500 HE2 LYS 65 2HE LYS 65 10.557 -1.959 7.837 501 HE3 LYS 65 1HE LYS 65 11.548 -3.079 6.902 502 HZ1 LYS 65 3HZ LYS 65 10.349 -0.597 5.799 503 HZ2 LYS 65 1HZ LYS 65 11.453 -1.622 5.028 504 HZ3 LYS 65 2HZ LYS 65 11.938 -0.712 6.369 505 H VAL 66 H VAL 66 10.335 -5.859 3.775 506 HA VAL 66 HA VAL 66 9.456 -8.378 2.635 507 HB VAL 66 HB VAL 66 10.585 -6.869 1.133 508 HG11 VAL 66 1HG1 VAL 66 13.264 -6.952 1.926 509 HG12 VAL 66 2HG1 VAL 66 12.348 -6.494 3.361 510 HG13 VAL 66 3HG1 VAL 66 12.194 -5.551 1.879 511 HG21 VAL 66 3HG2 VAL 66 11.137 -8.815 0.193 512 HG22 VAL 66 1HG2 VAL 66 11.533 -9.550 1.748 513 HG23 VAL 66 2HG2 VAL 66 12.735 -8.578 0.900 514 H ASP 67 H ASP 67 12.639 -8.451 3.090 515 HA ASP 67 HA ASP 67 14.103 -9.460 4.532 516 HB2 ASP 67 2HB ASP 67 12.400 -8.350 6.285 517 HB3 ASP 67 1HB ASP 67 12.036 -10.046 6.589 518 H GLU 68 H GLU 68 14.123 -11.677 5.910 519 HA GLU 68 HA GLU 68 12.955 -13.635 4.077 520 HB2 GLU 68 2HB GLU 68 14.587 -15.206 4.975 521 HB3 GLU 68 1HB GLU 68 15.385 -13.729 4.449 522 HG2 GLU 68 2HG GLU 68 16.107 -13.239 6.506 523 HG3 GLU 68 1HG GLU 68 14.593 -13.726 7.263 524 H SER 69 H SER 69 11.402 -12.294 6.183 525 HA SER 69 HA SER 69 10.728 -14.620 7.860 526 HB2 SER 69 2HB SER 69 10.775 -11.699 8.391 527 HB3 SER 69 1HB SER 69 9.451 -12.611 9.117 528 HG SER 69 HG SER 69 10.812 -13.532 10.439 529 H LYS 70 H LYS 70 9.838 -14.133 5.113 530 HA LYS 70 HA LYS 70 6.977 -14.362 5.607 531 HB2 LYS 70 2HB LYS 70 8.205 -12.332 3.741 532 HB3 LYS 70 1HB LYS 70 6.525 -12.843 3.627 533 HG2 LYS 70 2HG LYS 70 7.631 -11.773 6.193 534 HG3 LYS 70 1HG LYS 70 7.081 -10.690 4.912 535 HD2 LYS 70 2HD LYS 70 4.905 -11.988 4.941 536 HD3 LYS 70 1HD LYS 70 5.482 -12.741 6.429 537 HE2 LYS 70 2HE LYS 70 5.365 -10.773 7.627 538 HE3 LYS 70 1HE LYS 70 5.493 -9.766 6.185 539 HZ1 LYS 70 3HZ LYS 70 3.284 -9.570 6.834 540 HZ2 LYS 70 1HZ LYS 70 3.132 -11.211 7.215 541 HZ3 LYS 70 2HZ LYS 70 3.219 -10.722 5.599 542 H LYS 71 H LYS 71 9.135 -14.023 2.785 543 HA LYS 71 HA LYS 71 9.483 -15.347 0.969 544 HB2 LYS 71 2HB LYS 71 8.781 -17.418 3.037 545 HB3 LYS 71 1HB LYS 71 9.173 -17.864 1.381 546 HG2 LYS 71 2HG LYS 71 11.240 -16.189 2.077 547 HG3 LYS 71 1HG LYS 71 10.917 -17.077 3.567 548 HD2 LYS 71 2HD LYS 71 10.921 -19.167 2.052 549 HD3 LYS 71 1HD LYS 71 11.730 -18.127 0.879 550 HE2 LYS 71 2HE LYS 71 13.470 -17.634 2.541 551 HE3 LYS 71 1HE LYS 71 12.666 -18.706 3.688 552 HZ1 LYS 71 3HZ LYS 71 14.095 -19.403 1.204 553 HZ2 LYS 71 1HZ LYS 71 12.945 -20.457 1.859 554 HZ3 LYS 71 2HZ LYS 71 14.308 -20.025 2.762 555 H ARG 72 H ARG 72 8.399 -16.729 -0.657 556 HA ARG 72 HA ARG 72 5.684 -17.423 -0.509 557 HB2 ARG 72 2HB ARG 72 4.744 -15.655 -1.997 558 HB3 ARG 72 1HB ARG 72 5.204 -15.070 -0.405 559 HG2 ARG 72 2HG ARG 72 6.209 -13.427 -1.536 560 HG3 ARG 72 1HG ARG 72 7.482 -14.618 -1.810 561 HD2 ARG 72 2HD ARG 72 7.006 -14.798 -3.995 562 HD3 ARG 72 1HD ARG 72 5.266 -14.781 -3.713 563 HE ARG 72 HE ARG 72 6.464 -12.213 -3.339 564 HH11 ARG 72 1HH1 ARG 72 5.237 -14.430 -5.738 565 HH12 ARG 72 2HH1 ARG 72 4.874 -13.185 -6.885 566 HH21 ARG 72 1HH2 ARG 72 5.987 -10.573 -4.847 567 HH22 ARG 72 2HH2 ARG 72 5.300 -10.995 -6.380 568 H LYS 73 H LYS 73 4.766 -17.394 -2.973 569 HA LYS 73 HA LYS 73 6.779 -18.899 -4.460 570 HB2 LYS 73 2HB LYS 73 3.790 -18.640 -4.818 571 HB3 LYS 73 1HB LYS 73 4.830 -19.595 -5.867 572 HG2 LYS 73 2HG LYS 73 3.818 -21.078 -4.318 573 HG3 LYS 73 1HG LYS 73 5.514 -20.911 -3.857 574 HD2 LYS 73 2HD LYS 73 4.996 -19.555 -2.016 575 HD3 LYS 73 1HD LYS 73 3.376 -19.205 -2.621 576 HE2 LYS 73 2HE LYS 73 2.835 -21.631 -2.310 577 HE3 LYS 73 1HE LYS 73 4.394 -21.812 -1.507 578 HZ1 LYS 73 3HZ LYS 73 2.697 -19.675 -0.513 579 HZ2 LYS 73 1HZ LYS 73 3.662 -20.777 0.335 580 HZ3 LYS 73 2HZ LYS 73 2.137 -21.245 -0.225 581 H ASP 74 H ASP 74 6.959 -18.608 -6.799 582 HA ASP 74 HA ASP 74 6.875 -15.764 -7.483 583 HB2 ASP 74 2HB ASP 74 9.001 -17.143 -7.691 584 HB3 ASP 74 1HB ASP 74 8.228 -17.966 -9.043 585 H ASN 75 H ASN 75 4.501 -17.547 -7.535 586 HA ASN 75 HA ASN 75 2.598 -17.630 -8.793 587 HB2 ASN 75 2HB ASN 75 3.604 -15.448 -9.795 588 HB3 ASN 75 1HB ASN 75 4.014 -16.470 -11.170 589 HD21 ASN 75 1HD2 ASN 75 2.428 -14.503 -11.777 590 HD22 ASN 75 2HD2 ASN 75 0.787 -15.007 -11.969 591 H GLU 76 H GLU 76 5.398 -19.251 -9.361 592 HA GLU 76 HA GLU 76 4.240 -20.875 -11.515 593 HB2 GLU 76 2HB GLU 76 7.073 -21.229 -10.702 594 HB3 GLU 76 1HB GLU 76 6.346 -21.339 -12.299 595 HG2 GLU 76 2HG GLU 76 6.164 -18.884 -12.352 596 HG3 GLU 76 1HG GLU 76 6.963 -18.815 -10.781 597 H GLY 77 H GLY 77 5.565 -20.902 -8.308 598 HA2 GLY 77 2HA GLY 77 4.361 -22.650 -6.901 599 HA3 GLY 77 1HA GLY 77 4.980 -23.785 -8.089 600 H ASN 78 H ASN 78 7.375 -21.622 -7.918 601 HA ASN 78 HA ASN 78 8.887 -23.274 -6.063 602 HB2 ASN 78 2HB ASN 78 9.885 -20.945 -7.710 603 HB3 ASN 78 1HB ASN 78 10.848 -22.213 -6.956 604 HD21 ASN 78 1HD2 ASN 78 9.638 -21.161 -9.797 605 HD22 ASN 78 2HD2 ASN 78 9.603 -22.657 -10.679 606 H GLU 79 H GLU 79 9.643 -22.640 -4.116 607 HA GLU 79 HA GLU 79 8.491 -20.293 -2.924 608 HB2 GLU 79 2HB GLU 79 10.119 -22.602 -1.973 609 HB3 GLU 79 1HB GLU 79 10.107 -21.143 -0.991 610 HG2 GLU 79 2HG GLU 79 7.456 -21.486 -1.489 611 HG3 GLU 79 1HG GLU 79 8.026 -23.152 -1.409 612 H VAL 80 H VAL 80 9.325 -18.338 -3.192 613 HA VAL 80 HA VAL 80 12.139 -17.879 -2.722 614 HB VAL 80 HB VAL 80 12.567 -16.698 -4.807 615 HG11 VAL 80 1HG1 VAL 80 12.798 -18.583 -6.258 616 HG12 VAL 80 2HG1 VAL 80 11.508 -19.449 -5.423 617 HG13 VAL 80 3HG1 VAL 80 13.037 -19.137 -4.601 618 HG21 VAL 80 3HG2 VAL 80 9.692 -17.077 -5.170 619 HG22 VAL 80 1HG2 VAL 80 10.644 -17.461 -6.605 620 HG23 VAL 80 2HG2 VAL 80 10.773 -15.867 -5.860 621 H VAL 81 H VAL 81 12.433 -15.311 -3.476 622 HA VAL 81 HA VAL 81 10.159 -13.873 -2.285 623 HB VAL 81 HB VAL 81 13.051 -13.236 -1.700 624 HG11 VAL 81 1HG1 VAL 81 11.308 -11.400 -1.622 625 HG12 VAL 81 2HG1 VAL 81 12.241 -11.653 -0.147 626 HG13 VAL 81 3HG1 VAL 81 10.593 -12.269 -0.264 627 HG21 VAL 81 3HG2 VAL 81 12.871 -14.304 0.377 628 HG22 VAL 81 1HG2 VAL 81 12.157 -15.444 -0.764 629 HG23 VAL 81 2HG2 VAL 81 11.118 -14.446 0.253 630 HA PRO 82 HA PRO 82 11.492 -12.022 -6.383 631 HB2 PRO 82 2HB PRO 82 8.565 -11.799 -6.705 632 HB3 PRO 82 1HB PRO 82 9.771 -12.451 -7.819 633 HG2 PRO 82 2HG PRO 82 8.060 -14.050 -6.517 634 HG3 PRO 82 1HG PRO 82 9.730 -14.546 -6.849 635 HD2 PRO 82 2HD PRO 82 8.523 -13.530 -4.304 636 HD3 PRO 82 1HD PRO 82 9.700 -14.837 -4.549 637 H LYS 83 H LYS 83 8.486 -11.027 -4.744 638 HA LYS 83 HA LYS 83 9.636 -8.353 -4.359 639 HB2 LYS 83 2HB LYS 83 6.873 -8.896 -5.463 640 HB3 LYS 83 1HB LYS 83 7.528 -7.313 -5.073 641 HG2 LYS 83 2HG LYS 83 8.119 -7.214 -7.215 642 HG3 LYS 83 1HG LYS 83 9.416 -8.326 -6.777 643 HD2 LYS 83 2HD LYS 83 8.538 -9.626 -8.389 644 HD3 LYS 83 1HD LYS 83 7.351 -10.050 -7.154 645 HE2 LYS 83 2HE LYS 83 6.042 -9.476 -8.992 646 HE3 LYS 83 1HE LYS 83 6.041 -8.010 -8.011 647 HZ1 LYS 83 3HZ LYS 83 7.913 -8.457 -10.267 648 HZ2 LYS 83 1HZ LYS 83 7.625 -7.011 -9.436 649 HZ3 LYS 83 2HZ LYS 83 6.428 -7.664 -10.437 650 HA PRO 84 HA PRO 84 8.000 -8.570 -0.282 651 HB2 PRO 84 2HB PRO 84 7.192 -6.006 0.149 652 HB3 PRO 84 1HB PRO 84 8.885 -6.514 0.166 653 HG2 PRO 84 2HG PRO 84 7.310 -5.245 -2.036 654 HG3 PRO 84 1HG PRO 84 8.950 -4.869 -1.478 655 HD2 PRO 84 2HD PRO 84 8.523 -6.350 -3.672 656 HD3 PRO 84 1HD PRO 84 9.873 -6.695 -2.571 657 H GLN 85 H GLN 85 6.097 -8.903 0.820 658 HA GLN 85 HA GLN 85 3.743 -9.313 -0.643 659 HB2 GLN 85 2HB GLN 85 4.022 -8.940 2.345 660 HB3 GLN 85 1HB GLN 85 2.664 -9.692 1.519 661 HG2 GLN 85 2HG GLN 85 5.437 -10.774 1.219 662 HG3 GLN 85 1HG GLN 85 4.440 -11.192 2.611 663 HE21 GLN 85 1HE2 GLN 85 4.336 -13.351 2.031 664 HE22 GLN 85 2HE2 GLN 85 3.382 -13.906 0.690 665 H ARG 86 H ARG 86 2.292 -7.915 -1.386 666 HA ARG 86 HA ARG 86 1.943 -5.363 0.041 667 HB2 ARG 86 2HB ARG 86 1.667 -4.218 -2.085 668 HB3 ARG 86 1HB ARG 86 3.227 -5.026 -2.033 669 HG2 ARG 86 2HG ARG 86 0.908 -6.430 -3.268 670 HG3 ARG 86 1HG ARG 86 1.729 -5.152 -4.166 671 HD2 ARG 86 2HD ARG 86 3.649 -6.357 -4.397 672 HD3 ARG 86 1HD ARG 86 3.420 -7.217 -2.874 673 HE ARG 86 HE ARG 86 2.275 -8.852 -4.003 674 HH11 ARG 86 1HH1 ARG 86 2.608 -6.061 -6.070 675 HH12 ARG 86 2HH1 ARG 86 2.016 -6.877 -7.478 676 HH21 ARG 86 1HH2 ARG 86 1.496 -9.927 -5.853 677 HH22 ARG 86 2HH2 ARG 86 1.384 -9.072 -7.355 678 H HIS 87 H HIS 87 -0.140 -4.327 -0.291 679 HA HIS 87 HA HIS 87 -2.275 -6.304 -0.741 680 HB2 HIS 87 2HB HIS 87 -2.540 -3.770 0.873 681 HB3 HIS 87 1HB HIS 87 -3.615 -5.164 0.861 682 HD1 HIS 87 1HD HIS 87 -2.436 -7.441 1.853 683 HD2 HIS 87 2HD HIS 87 -0.739 -3.794 2.896 684 HE1 HIS 87 1HE HIS 87 -1.026 -7.911 3.882 685 HE2 HIS 87 2HE HIS 87 -0.073 -5.675 4.542 686 H MET 88 H MET 88 -3.459 -6.011 -2.505 687 HA MET 88 HA MET 88 -3.310 -3.488 -3.938 688 HB2 MET 88 2HB MET 88 -3.124 -5.806 -5.007 689 HB3 MET 88 1HB MET 88 -4.862 -5.929 -4.777 690 HG2 MET 88 2HG MET 88 -5.325 -4.471 -6.430 691 HG3 MET 88 1HG MET 88 -3.901 -3.483 -6.109 692 HE1 MET 88 3HE MET 88 -3.267 -3.613 -9.331 693 HE2 MET 88 1HE MET 88 -1.684 -4.007 -8.658 694 HE3 MET 88 2HE MET 88 -2.791 -2.968 -7.761 695 H PHE 89 H PHE 89 -4.657 -1.925 -3.344 696 HA PHE 89 HA PHE 89 -7.399 -2.638 -2.553 697 HB2 PHE 89 2HB PHE 89 -5.818 -0.117 -2.000 698 HB3 PHE 89 1HB PHE 89 -7.478 -0.405 -1.488 699 HD1 PHE 89 1HD PHE 89 -7.860 -2.523 -0.028 700 HD2 PHE 89 2HD PHE 89 -4.082 -0.646 -0.582 701 HE1 PHE 89 1HE PHE 89 -7.040 -3.571 2.042 702 HE2 PHE 89 2HE PHE 89 -3.255 -1.692 1.486 703 HZ PHE 89 HZ PHE 89 -4.734 -3.157 2.801 704 H SER 90 H SER 90 -9.160 -1.518 -3.455 705 HA SER 90 HA SER 90 -8.537 0.084 -5.846 706 HB2 SER 90 2HB SER 90 -9.202 -1.985 -6.763 707 HB3 SER 90 1HB SER 90 -10.477 -2.204 -5.565 708 HG SER 90 HG SER 90 -10.426 -0.259 -7.633 709 H PHE 91 H PHE 91 -9.451 2.022 -5.836 710 HA PHE 91 HA PHE 91 -11.692 2.498 -3.995 711 HB2 PHE 91 2HB PHE 91 -9.628 4.356 -5.175 712 HB3 PHE 91 1HB PHE 91 -11.049 4.933 -4.309 713 HD1 PHE 91 1HD PHE 91 -8.423 2.326 -3.801 714 HD2 PHE 91 2HD PHE 91 -10.668 5.531 -2.134 715 HE1 PHE 91 1HE PHE 91 -7.234 2.043 -1.668 716 HE2 PHE 91 2HE PHE 91 -9.482 5.259 0.001 717 HZ PHE 91 HZ PHE 91 -7.762 3.512 0.240 718 H ASN 92 H ASN 92 -13.137 4.411 -4.796 719 HA ASN 92 HA ASN 92 -13.716 4.034 -7.657 720 HB2 ASN 92 2HB ASN 92 -15.520 3.697 -5.308 721 HB3 ASN 92 1HB ASN 92 -16.199 4.378 -6.784 722 HD21 ASN 92 1HD2 ASN 92 -17.114 2.937 -8.034 723 HD22 ASN 92 2HD2 ASN 92 -16.638 1.286 -8.216 724 H ASN 93 H ASN 93 -12.274 6.198 -6.430 725 HA ASN 93 HA ASN 93 -13.588 8.375 -7.648 726 HB2 ASN 93 2HB ASN 93 -14.385 7.872 -4.957 727 HB3 ASN 93 1HB ASN 93 -13.431 9.351 -4.971 728 HD21 ASN 93 1HD2 ASN 93 -14.102 11.075 -6.340 729 HD22 ASN 93 2HD2 ASN 93 -15.770 11.231 -6.796 730 H ARG 94 H ARG 94 -12.338 10.328 -7.600 731 HA ARG 94 HA ARG 94 -9.526 9.809 -7.409 732 HB2 ARG 94 2HB ARG 94 -9.350 12.246 -8.085 733 HB3 ARG 94 1HB ARG 94 -10.192 11.192 -9.210 734 HG2 ARG 94 2HG ARG 94 -11.981 12.485 -9.132 735 HG3 ARG 94 1HG ARG 94 -12.088 12.283 -7.384 736 HD2 ARG 94 2HD ARG 94 -10.224 14.067 -7.294 737 HD3 ARG 94 1HD ARG 94 -10.695 14.419 -8.956 738 HE ARG 94 HE ARG 94 -12.115 15.126 -6.580 739 HH11 ARG 94 1HH1 ARG 94 -12.501 14.326 -9.955 740 HH12 ARG 94 2HH1 ARG 94 -13.994 15.188 -10.117 741 HH21 ARG 94 1HH2 ARG 94 -14.078 16.260 -6.791 742 HH22 ARG 94 2HH2 ARG 94 -14.890 16.287 -8.322 743 H THR 95 H THR 95 -11.888 11.648 -5.541 744 HA THR 95 HA THR 95 -10.002 12.899 -3.846 745 HB THR 95 HB THR 95 -12.705 12.511 -2.850 746 HG1 THR 95 1HG THR 95 -13.784 13.267 -4.505 747 HG21 THR 95 3HG2 THR 95 -12.713 14.894 -2.648 748 HG22 THR 95 1HG2 THR 95 -11.258 15.006 -3.637 749 HG23 THR 95 2HG2 THR 95 -11.182 14.266 -2.037 750 H VAL 96 H VAL 96 -12.166 10.106 -3.506 751 HA VAL 96 HA VAL 96 -11.555 9.457 -0.863 752 HB VAL 96 HB VAL 96 -13.426 8.445 -2.098 753 HG11 VAL 96 1HG1 VAL 96 -13.160 6.829 -3.784 754 HG12 VAL 96 2HG1 VAL 96 -11.434 6.662 -3.465 755 HG13 VAL 96 3HG1 VAL 96 -12.053 8.134 -4.209 756 HG21 VAL 96 3HG2 VAL 96 -13.221 7.087 -0.325 757 HG22 VAL 96 1HG2 VAL 96 -11.477 6.930 -0.524 758 HG23 VAL 96 2HG2 VAL 96 -12.567 5.929 -1.483 759 H MET 97 H MET 97 -10.039 8.355 -3.881 760 HA MET 97 HA MET 97 -8.149 6.662 -2.626 761 HB2 MET 97 2HB MET 97 -6.970 6.728 -4.806 762 HB3 MET 97 1HB MET 97 -8.678 6.347 -4.961 763 HG2 MET 97 2HG MET 97 -8.438 7.849 -6.651 764 HG3 MET 97 1HG MET 97 -8.895 8.930 -5.338 765 HE1 MET 97 3HE MET 97 -4.905 7.533 -5.864 766 HE2 MET 97 1HE MET 97 -4.937 8.363 -7.419 767 HE3 MET 97 2HE MET 97 -6.149 7.137 -7.049 768 H ASP 98 H ASP 98 -8.192 10.019 -3.511 769 HA ASP 98 HA ASP 98 -5.428 10.526 -3.038 770 HB2 ASP 98 2HB ASP 98 -7.853 12.168 -3.548 771 HB3 ASP 98 1HB ASP 98 -6.497 12.969 -2.760 772 H ASN 99 H ASN 99 -8.294 10.458 -1.048 773 HA ASN 99 HA ASN 99 -7.306 11.908 1.159 774 HB2 ASN 99 2HB ASN 99 -9.532 9.982 0.700 775 HB3 ASN 99 1HB ASN 99 -9.052 10.293 2.366 776 HD21 ASN 99 1HD2 ASN 99 -11.287 11.095 0.276 777 HD22 ASN 99 2HD2 ASN 99 -11.562 12.760 0.685 778 H ILE 100 H ILE 100 -7.016 8.548 0.193 779 HA ILE 100 HA ILE 100 -5.732 7.787 2.679 780 HB ILE 100 HB ILE 100 -6.116 6.192 0.140 781 HG12 ILE 100 2HG1 ILE 100 -8.226 6.913 1.270 782 HG13 ILE 100 1HG1 ILE 100 -8.002 5.168 1.238 783 HG21 ILE 100 1HG2 ILE 100 -5.562 4.250 1.440 784 HG22 ILE 100 2HG2 ILE 100 -5.420 5.218 2.907 785 HG23 ILE 100 3HG2 ILE 100 -4.256 5.424 1.597 786 HD11 ILE 100 3HD1 ILE 100 -7.108 5.343 3.570 787 HD12 ILE 100 1HD1 ILE 100 -8.819 5.723 3.376 788 HD13 ILE 100 2HD1 ILE 100 -7.644 7.024 3.566 789 H LYS 101 H LYS 101 -4.829 8.123 -0.741 790 HA LYS 101 HA LYS 101 -2.149 7.365 -0.492 791 HB2 LYS 101 2HB LYS 101 -3.271 7.572 -2.654 792 HB3 LYS 101 1HB LYS 101 -3.403 9.312 -2.436 793 HG2 LYS 101 2HG LYS 101 -0.710 8.858 -2.129 794 HG3 LYS 101 1HG LYS 101 -1.170 7.710 -3.386 795 HD2 LYS 101 2HD LYS 101 -1.728 10.677 -3.402 796 HD3 LYS 101 1HD LYS 101 -0.487 9.852 -4.347 797 HE2 LYS 101 2HE LYS 101 -2.824 8.472 -4.932 798 HE3 LYS 101 1HE LYS 101 -3.322 10.163 -4.873 799 HZ1 LYS 101 3HZ LYS 101 -1.373 8.870 -6.663 800 HZ2 LYS 101 1HZ LYS 101 -1.257 10.528 -6.345 801 HZ3 LYS 101 2HZ LYS 101 -2.659 9.898 -7.049 802 H MET 102 H MET 102 -3.729 10.467 0.024 803 HA MET 102 HA MET 102 -1.227 11.854 0.396 804 HB2 MET 102 2HB MET 102 -4.102 12.699 0.713 805 HB3 MET 102 1HB MET 102 -2.748 13.765 1.061 806 HG2 MET 102 2HG MET 102 -2.068 12.984 -1.407 807 HG3 MET 102 1HG MET 102 -3.820 12.839 -1.524 808 HE1 MET 102 3HE MET 102 -5.085 16.018 -2.261 809 HE2 MET 102 1HE MET 102 -5.009 14.267 -2.455 810 HE3 MET 102 2HE MET 102 -3.995 15.309 -3.453 811 H THR 103 H THR 103 -3.586 10.284 2.381 812 HA THR 103 HA THR 103 -2.618 11.493 4.826 813 HB THR 103 HB THR 103 -4.655 9.325 4.301 814 HG1 THR 103 1HG THR 103 -5.291 11.444 3.770 815 HG21 THR 103 3HG2 THR 103 -4.658 8.756 6.433 816 HG22 THR 103 1HG2 THR 103 -4.998 10.429 6.874 817 HG23 THR 103 2HG2 THR 103 -3.330 9.870 6.753 818 H LEU 104 H LEU 104 -2.520 8.274 3.315 819 HA LEU 104 HA LEU 104 -1.179 6.919 5.331 820 HB2 LEU 104 2HB LEU 104 -1.514 6.575 2.419 821 HB3 LEU 104 1HB LEU 104 -0.122 5.765 3.112 822 HG LEU 104 HG LEU 104 -1.525 4.499 4.612 823 HD11 LEU 104 1HD1 LEU 104 -4.057 4.713 4.271 824 HD12 LEU 104 2HD1 LEU 104 -3.692 6.292 3.577 825 HD13 LEU 104 3HD1 LEU 104 -3.244 5.937 5.246 826 HD21 LEU 104 3HD2 LEU 104 -2.942 3.287 2.927 827 HD22 LEU 104 1HD2 LEU 104 -1.245 3.476 2.488 828 HD23 LEU 104 2HD2 LEU 104 -2.468 4.514 1.753 829 H GLN 105 H GLN 105 0.172 8.706 2.578 830 HA GLN 105 HA GLN 105 2.868 8.315 3.033 831 HB2 GLN 105 2HB GLN 105 1.255 10.076 1.474 832 HB3 GLN 105 1HB GLN 105 2.511 11.033 2.250 833 HG2 GLN 105 2HG GLN 105 2.871 8.661 0.440 834 HG3 GLN 105 1HG GLN 105 3.309 10.338 0.119 835 HE21 GLN 105 1HE2 GLN 105 4.819 7.713 0.311 836 HE22 GLN 105 2HE2 GLN 105 6.160 8.080 1.351 837 H GLN 106 H GLN 106 0.616 10.329 4.754 838 HA GLN 106 HA GLN 106 2.431 12.009 6.086 839 HB2 GLN 106 2HB GLN 106 -0.157 10.978 7.243 840 HB3 GLN 106 1HB GLN 106 0.664 12.481 7.637 841 HG2 GLN 106 2HG GLN 106 -0.694 11.791 5.045 842 HG3 GLN 106 1HG GLN 106 -1.239 12.949 6.257 843 HE21 GLN 106 1HE2 GLN 106 1.050 12.304 3.723 844 HE22 GLN 106 2HE2 GLN 106 1.614 13.937 3.540 845 H ILE 107 H ILE 107 1.328 8.775 6.698 846 HA ILE 107 HA ILE 107 2.696 8.552 9.238 847 HB ILE 107 HB ILE 107 1.286 6.500 7.525 848 HG12 ILE 107 2HG1 ILE 107 -0.009 6.723 9.966 849 HG13 ILE 107 1HG1 ILE 107 0.445 8.383 9.592 850 HG21 ILE 107 1HG2 ILE 107 1.451 5.025 9.512 851 HG22 ILE 107 2HG2 ILE 107 2.546 6.198 10.243 852 HG23 ILE 107 3HG2 ILE 107 3.005 5.372 8.753 853 HD11 ILE 107 3HD1 ILE 107 -0.618 8.034 7.337 854 HD12 ILE 107 1HD1 ILE 107 -1.715 8.060 8.717 855 HD13 ILE 107 2HD1 ILE 107 -1.268 6.524 7.977 856 H ILE 108 H ILE 108 3.146 7.630 5.898 857 HA ILE 108 HA ILE 108 5.327 5.899 6.117 858 HB ILE 108 HB ILE 108 4.842 7.896 3.904 859 HG12 ILE 108 2HG1 ILE 108 3.608 5.208 4.460 860 HG13 ILE 108 1HG1 ILE 108 2.803 6.744 4.176 861 HG21 ILE 108 1HG2 ILE 108 6.046 6.414 2.493 862 HG22 ILE 108 2HG2 ILE 108 6.147 5.191 3.759 863 HG23 ILE 108 3HG2 ILE 108 7.033 6.707 3.925 864 HD11 ILE 108 3HD1 ILE 108 2.510 6.030 2.094 865 HD12 ILE 108 1HD1 ILE 108 3.682 4.727 2.291 866 HD13 ILE 108 2HD1 ILE 108 4.229 6.348 1.860 867 H SER 109 H SER 109 5.319 9.363 5.353 868 HA SER 109 HA SER 109 8.062 9.791 5.429 869 HB2 SER 109 2HB SER 109 7.202 12.195 6.236 870 HB3 SER 109 1HB SER 109 7.010 11.634 4.576 871 HG SER 109 HG SER 109 5.074 12.496 5.609 872 H ARG 110 H ARG 110 5.817 9.401 8.018 873 HA ARG 110 HA ARG 110 7.098 10.656 10.126 874 HB2 ARG 110 2HB ARG 110 5.436 9.735 11.308 875 HB3 ARG 110 1HB ARG 110 4.919 8.965 9.820 876 HG2 ARG 110 2HG ARG 110 6.156 6.968 10.370 877 HG3 ARG 110 1HG ARG 110 6.809 7.740 11.816 878 HD2 ARG 110 2HD ARG 110 3.879 7.229 11.300 879 HD3 ARG 110 1HD ARG 110 4.920 6.216 12.297 880 HE ARG 110 HE ARG 110 4.884 7.828 13.955 881 HH11 ARG 110 1HH1 ARG 110 3.307 9.034 11.079 882 HH12 ARG 110 2HH1 ARG 110 2.613 10.399 11.885 883 HH21 ARG 110 1HH2 ARG 110 3.969 9.624 15.010 884 HH22 ARG 110 2HH2 ARG 110 2.988 10.735 14.113 885 H TYR 111 H TYR 111 7.553 7.364 8.910 886 HA TYR 111 HA TYR 111 9.663 6.748 10.740 887 HB2 TYR 111 2HB TYR 111 9.359 5.309 8.132 888 HB3 TYR 111 1HB TYR 111 9.785 4.669 9.713 889 HD1 TYR 111 1HD TYR 111 7.829 4.906 11.521 890 HD2 TYR 111 2HD TYR 111 7.272 4.825 7.304 891 HE1 TYR 111 1HE TYR 111 5.506 4.166 11.847 892 HE2 TYR 111 2HE TYR 111 4.948 4.087 7.618 893 HH TYR 111 HH TYR 111 3.755 3.020 10.638 894 H LYS 112 H LYS 112 9.448 8.196 7.591 895 HA LYS 112 HA LYS 112 12.026 7.838 6.641 896 HB2 LYS 112 2HB LYS 112 9.896 9.009 5.614 897 HB3 LYS 112 1HB LYS 112 10.665 10.465 6.230 898 HG2 LYS 112 2HG LYS 112 11.450 10.366 4.069 899 HG3 LYS 112 1HG LYS 112 12.755 9.597 4.975 900 HD2 LYS 112 2HD LYS 112 12.541 7.980 3.418 901 HD3 LYS 112 1HD LYS 112 11.195 7.455 4.432 902 HE2 LYS 112 2HE LYS 112 10.218 7.527 2.341 903 HE3 LYS 112 1HE LYS 112 9.807 9.114 2.991 904 HZ1 LYS 112 3HZ LYS 112 12.304 8.906 1.500 905 HZ2 LYS 112 1HZ LYS 112 11.169 10.161 1.544 906 HZ3 LYS 112 2HZ LYS 112 10.874 8.786 0.604 907 H ASP 113 H ASP 113 10.868 10.859 8.143 908 HA ASP 113 HA ASP 113 13.411 11.930 8.594 909 HB2 ASP 113 2HB ASP 113 10.761 12.461 9.940 910 HB3 ASP 113 1HB ASP 113 12.214 13.395 10.282 911 H ALA 114 H ALA 114 11.487 9.707 10.474 912 HA ALA 114 HA ALA 114 12.894 9.949 12.918 913 HB1 ALA 114 1HB ALA 114 11.251 7.679 11.806 914 HB2 ALA 114 2HB ALA 114 10.706 8.960 12.890 915 HB3 ALA 114 3HB ALA 114 11.861 7.755 13.459 916 H ASP 115 H ASP 115 13.036 7.366 10.455 917 HA ASP 115 HA ASP 115 15.288 6.083 11.544 918 HB2 ASP 115 2HB ASP 115 13.918 6.024 8.883 919 HB3 ASP 115 1HB ASP 115 15.479 5.231 9.062 920 H TYR 90 1HT TYR 90 2.062 1.519 -19.647 921 HA TYR 90 HA TYR 90 0.951 -0.878 -18.369 922 HB2 TYR 90 2HB TYR 90 2.720 -1.971 -19.667 923 HB3 TYR 90 1HB TYR 90 1.668 -1.030 -20.719 924 HD1 TYR 90 2HD TYR 90 5.006 -1.190 -19.177 925 HD2 TYR 90 1HD TYR 90 2.500 0.865 -21.932 926 HE1 TYR 90 2HE TYR 90 6.968 -0.011 -20.073 927 HE2 TYR 90 1HE TYR 90 4.455 2.050 -22.837 928 HH TYR 90 HH TYR 90 7.014 2.604 -21.581 929 H ASP 91 H ASP 91 3.655 1.403 -18.452 930 HA ASP 91 HA ASP 91 4.973 0.036 -16.249 931 HB2 ASP 91 2HB ASP 91 6.322 0.924 -18.117 932 HB3 ASP 91 1HB ASP 91 5.769 2.551 -17.732 933 H SER 92 H SER 92 4.254 3.479 -16.827 934 HA SER 92 HA SER 92 3.598 3.721 -13.966 935 HB2 SER 92 2HB SER 92 4.214 6.083 -14.156 936 HB3 SER 92 1HB SER 92 5.542 5.058 -14.699 937 HG SER 92 HG SER 92 4.198 6.950 -16.056 938 H GLU 93 H GLU 93 2.519 4.382 -17.224 939 HA GLU 93 HA GLU 93 0.357 6.071 -16.655 940 HB2 GLU 93 2HB GLU 93 1.119 4.288 -18.909 941 HB3 GLU 93 1HB GLU 93 -0.554 4.825 -18.836 942 HG2 GLU 93 2HG GLU 93 0.384 7.182 -18.623 943 HG3 GLU 93 1HG GLU 93 1.928 6.483 -19.112 944 H GLU 94 H GLU 94 0.734 2.622 -16.365 945 HA GLU 94 HA GLU 94 -2.099 2.138 -16.040 946 HB2 GLU 94 2HB GLU 94 -0.269 0.535 -17.003 947 HB3 GLU 94 1HB GLU 94 0.026 0.154 -15.312 948 HG2 GLU 94 2HG GLU 94 -2.232 -0.606 -15.032 949 HG3 GLU 94 1HG GLU 94 -2.655 -0.075 -16.658 950 H PHE 95 H PHE 95 0.698 2.667 -14.027 951 HA PHE 95 HA PHE 95 -0.910 3.175 -11.736 952 HB2 PHE 95 2HB PHE 95 -0.568 0.539 -12.008 953 HB3 PHE 95 1HB PHE 95 0.952 0.914 -11.201 954 HD1 PHE 95 1HD PHE 95 0.614 2.579 -9.112 955 HD2 PHE 95 2HD PHE 95 -2.309 -0.092 -10.672 956 HE1 PHE 95 1HE PHE 95 -0.540 2.578 -6.938 957 HE2 PHE 95 2HE PHE 95 -3.469 -0.096 -8.502 958 HZ PHE 95 HZ PHE 95 -2.586 1.241 -6.632 959 H GLU 96 H GLU 96 0.142 4.503 -10.364 960 HA GLU 96 HA GLU 96 3.005 4.949 -10.876 961 HB2 GLU 96 2HB GLU 96 1.098 6.783 -11.108 962 HB3 GLU 96 1HB GLU 96 1.356 6.926 -9.374 963 HG2 GLU 96 2HG GLU 96 3.608 7.089 -11.349 964 HG3 GLU 96 1HG GLU 96 2.660 8.498 -10.872 965 H ASP 97 H ASP 97 4.456 4.642 -9.302 966 HA ASP 97 HA ASP 97 3.473 3.736 -6.702 967 HB2 ASP 97 2HB ASP 97 5.765 2.889 -6.368 968 HB3 ASP 97 1HB ASP 97 5.049 2.269 -7.852 969 H VAL 98 H VAL 98 4.148 4.619 -4.752 970 HA VAL 98 HA VAL 98 5.086 7.385 -4.933 971 HB VAL 98 HB VAL 98 4.171 6.081 -2.387 972 HG11 VAL 98 1HG1 VAL 98 4.615 8.816 -3.397 973 HG12 VAL 98 2HG1 VAL 98 4.818 8.154 -1.775 974 HG13 VAL 98 3HG1 VAL 98 3.211 8.589 -2.355 975 HG21 VAL 98 3HG2 VAL 98 2.563 6.539 -4.768 976 HG22 VAL 98 1HG2 VAL 98 1.946 7.397 -3.357 977 HG23 VAL 98 2HG2 VAL 98 2.175 5.650 -3.295 978 H THR 99 H THR 99 6.567 8.132 -3.147 979 HA THR 99 HA THR 99 9.038 6.976 -3.289 980 HB THR 99 HB THR 99 8.585 9.231 -2.385 981 HG1 THR 99 1HG THR 99 10.432 9.145 -1.407 982 HG21 THR 99 3HG2 THR 99 8.220 9.300 0.151 983 HG22 THR 99 1HG2 THR 99 7.522 7.694 -0.054 984 HG23 THR 99 2HG2 THR 99 6.818 9.074 -0.896 985 H ASP 100 H ASP 100 10.353 5.901 -1.625 986 HA ASP 100 HA ASP 100 8.780 4.045 0.035 987 HB2 ASP 100 2HB ASP 100 10.551 2.319 -0.488 988 HB3 ASP 100 1HB ASP 100 9.499 2.745 -1.835 989 H GLY 101 H GLY 101 12.010 5.429 -0.526 990 HA2 GLY 101 2HA GLY 101 12.542 6.543 1.855 991 HA3 GLY 101 1HA GLY 101 12.812 4.841 2.201 992 H ASN 102 H ASN 102 13.708 7.323 -0.193 993 HA ASN 102 HA ASN 102 16.390 6.106 -0.293 994 HB2 ASN 102 2HB ASN 102 14.965 7.709 -2.429 995 HB3 ASN 102 1HB ASN 102 16.599 7.064 -2.557 996 HD21 ASN 102 1HD2 ASN 102 14.379 6.521 -4.274 997 HD22 ASN 102 2HD2 ASN 102 14.070 4.824 -4.187 998 H GLU 103 H GLU 103 17.732 7.251 0.939 999 HA GLU 103 HA GLU 103 17.487 10.185 0.941 1000 HB2 GLU 103 2HB GLU 103 17.353 8.731 3.113 1001 HB3 GLU 103 1HB GLU 103 19.102 8.669 2.958 1002 HG2 GLU 103 2HG GLU 103 19.213 11.094 3.031 1003 HG3 GLU 103 1HG GLU 103 17.455 11.182 3.137 1004 H VAL 104 H VAL 104 18.786 8.732 -1.167 1005 HA VAL 104 HA VAL 104 21.152 10.222 -1.409 1006 HB VAL 104 HB VAL 104 22.096 8.725 0.242 1007 HG11 VAL 104 1HG1 VAL 104 22.232 6.240 -1.068 1008 HG12 VAL 104 2HG1 VAL 104 20.546 6.750 -1.136 1009 HG13 VAL 104 3HG1 VAL 104 21.371 6.637 0.419 1010 HG21 VAL 104 3HG2 VAL 104 23.584 9.464 -1.520 1011 HG22 VAL 104 1HG2 VAL 104 23.092 8.112 -2.540 1012 HG23 VAL 104 2HG2 VAL 104 23.988 7.812 -1.050 Start of MODEL 9 1 H2 PRO 1 1HT PRO 1 -12.434 12.881 8.031 2 H3 PRO 1 2HT PRO 1 -13.500 11.663 8.322 3 HA PRO 1 HA PRO 1 -12.847 10.730 6.626 4 HB2 PRO 1 2HB PRO 1 -13.598 12.682 4.605 5 HB3 PRO 1 1HB PRO 1 -14.328 11.115 4.974 6 HG2 PRO 1 2HG PRO 1 -15.551 13.476 5.524 7 HG3 PRO 1 1HG PRO 1 -15.804 12.006 6.481 8 HD2 PRO 1 2HD PRO 1 -14.034 14.364 7.061 9 HD3 PRO 1 1HD PRO 1 -15.119 13.482 8.154 10 H SER 2 H SER 2 -10.721 11.887 7.713 11 HA SER 2 HA SER 2 -9.239 13.090 5.467 12 HB2 SER 2 2HB SER 2 -7.750 14.097 7.149 13 HB3 SER 2 1HB SER 2 -9.423 14.597 7.396 14 HG SER 2 HG SER 2 -9.532 12.881 8.992 15 H HIS 3 H HIS 3 -8.908 10.921 8.265 16 HA HIS 3 HA HIS 3 -6.718 9.559 6.837 17 HB2 HIS 3 2HB HIS 3 -5.803 8.910 8.977 18 HB3 HIS 3 1HB HIS 3 -6.048 10.653 8.971 19 HD1 HIS 3 1HD HIS 3 -8.471 11.363 10.146 20 HD2 HIS 3 2HD HIS 3 -6.778 7.716 11.191 21 HE1 HIS 3 1HE HIS 3 -9.555 10.719 12.322 22 HE2 HIS 3 2HE HIS 3 -8.449 8.551 12.979 23 H SER 4 H SER 4 -9.390 8.957 6.268 24 HA SER 4 HA SER 4 -9.413 6.178 6.485 25 HB2 SER 4 2HB SER 4 -11.368 5.889 8.036 26 HB3 SER 4 1HB SER 4 -9.888 6.423 8.832 27 HG SER 4 HG SER 4 -11.872 8.235 7.949 28 H GLY 5 H GLY 5 -10.597 5.477 4.813 29 HA2 GLY 5 2HA GLY 5 -13.034 6.957 4.097 30 HA3 GLY 5 1HA GLY 5 -11.804 6.704 2.866 31 H ALA 6 H ALA 6 -13.360 5.526 1.630 32 HA ALA 6 HA ALA 6 -13.986 2.869 2.726 33 HB1 ALA 6 1HB ALA 6 -15.409 4.622 0.773 34 HB2 ALA 6 2HB ALA 6 -16.035 3.772 2.187 35 HB3 ALA 6 3HB ALA 6 -15.640 2.874 0.720 36 H ALA 7 H ALA 7 -12.478 1.457 2.125 37 HA ALA 7 HA ALA 7 -11.520 1.559 -0.666 38 HB1 ALA 7 1HB ALA 7 -9.916 1.915 1.416 39 HB2 ALA 7 2HB ALA 7 -9.396 1.031 -0.019 40 HB3 ALA 7 3HB ALA 7 -9.931 0.149 1.410 41 H ILE 8 H ILE 8 -11.138 -0.427 -1.747 42 HA ILE 8 HA ILE 8 -12.898 -2.582 -0.823 43 HB ILE 8 HB ILE 8 -11.612 -2.499 -3.531 44 HG12 ILE 8 2HG1 ILE 8 -12.608 -0.363 -3.527 45 HG13 ILE 8 1HG1 ILE 8 -13.797 -1.402 -4.296 46 HG21 ILE 8 1HG2 ILE 8 -13.393 -3.890 -4.197 47 HG22 ILE 8 2HG2 ILE 8 -14.316 -3.537 -2.737 48 HG23 ILE 8 3HG2 ILE 8 -12.849 -4.512 -2.639 49 HD11 ILE 8 3HD1 ILE 8 -15.254 -1.261 -2.540 50 HD12 ILE 8 1HD1 ILE 8 -14.524 0.342 -2.521 51 HD13 ILE 8 2HD1 ILE 8 -13.990 -0.883 -1.372 52 H PHE 9 H PHE 9 -12.202 -4.717 -0.647 53 HA PHE 9 HA PHE 9 -9.344 -5.233 -1.035 54 HB2 PHE 9 2HB PHE 9 -9.959 -4.586 1.395 55 HB3 PHE 9 1HB PHE 9 -10.712 -6.176 1.471 56 HD1 PHE 9 2HD PHE 9 -7.543 -5.022 -0.114 57 HD2 PHE 9 1HD PHE 9 -9.392 -7.514 2.799 58 HE1 PHE 9 2HE PHE 9 -5.358 -6.026 0.407 59 HE2 PHE 9 1HE PHE 9 -7.211 -8.522 3.326 60 HZ PHE 9 HZ PHE 9 -5.190 -7.779 2.130 61 H GLU 10 H GLU 10 -9.280 -6.868 -2.425 62 HA GLU 10 HA GLU 10 -9.577 -8.930 -3.332 63 HB2 GLU 10 2HB GLU 10 -10.351 -9.285 -0.564 64 HB3 GLU 10 1HB GLU 10 -11.299 -10.326 -1.617 65 HG2 GLU 10 2HG GLU 10 -9.416 -11.451 -2.399 66 HG3 GLU 10 1HG GLU 10 -8.319 -10.186 -1.849 67 H LYS 11 H LYS 11 -11.336 -6.754 -3.933 68 HA LYS 11 HA LYS 11 -13.046 -6.499 -5.435 69 HB2 LYS 11 2HB LYS 11 -14.025 -9.283 -4.854 70 HB3 LYS 11 1HB LYS 11 -14.309 -8.301 -6.284 71 HG2 LYS 11 2HG LYS 11 -12.466 -9.041 -7.279 72 HG3 LYS 11 1HG LYS 11 -11.484 -8.780 -5.838 73 HD2 LYS 11 2HD LYS 11 -12.958 -10.944 -5.097 74 HD3 LYS 11 1HD LYS 11 -12.776 -11.224 -6.830 75 HE2 LYS 11 2HE LYS 11 -10.413 -11.199 -6.680 76 HE3 LYS 11 1HE LYS 11 -10.455 -10.553 -5.039 77 HZ1 LYS 11 3HZ LYS 11 -11.795 -13.102 -5.456 78 HZ2 LYS 11 1HZ LYS 11 -10.844 -12.576 -4.158 79 HZ3 LYS 11 2HZ LYS 11 -10.108 -13.123 -5.580 80 H VAL 12 H VAL 12 -13.308 -7.209 -2.172 81 HA VAL 12 HA VAL 12 -16.163 -6.560 -2.125 82 HB VAL 12 HB VAL 12 -15.433 -8.566 -0.861 83 HG11 VAL 12 1HG1 VAL 12 -13.509 -8.439 0.241 84 HG12 VAL 12 2HG1 VAL 12 -14.435 -7.628 1.501 85 HG13 VAL 12 3HG1 VAL 12 -13.557 -6.680 0.306 86 HG21 VAL 12 3HG2 VAL 12 -17.134 -8.254 0.553 87 HG22 VAL 12 1HG2 VAL 12 -17.257 -6.644 -0.158 88 HG23 VAL 12 2HG2 VAL 12 -16.347 -6.883 1.335 89 H SER 13 H SER 13 -16.835 -4.615 -1.506 90 HA SER 13 HA SER 13 -14.929 -2.575 -0.984 91 HB2 SER 13 2HB SER 13 -17.872 -2.253 -0.463 92 HB3 SER 13 1HB SER 13 -16.716 -1.062 -1.055 93 HG SER 13 HG SER 13 -17.956 -3.177 -2.434 94 H GLY 14 H GLY 14 -14.922 -1.171 0.906 95 HA2 GLY 14 2HA GLY 14 -16.132 -2.053 3.347 96 HA3 GLY 14 1HA GLY 14 -14.422 -2.454 3.273 97 H ILE 15 H ILE 15 -13.941 -1.081 4.997 98 HA ILE 15 HA ILE 15 -13.911 1.764 4.258 99 HB ILE 15 HB ILE 15 -14.273 0.890 7.106 100 HG12 ILE 15 2HG1 ILE 15 -16.150 0.043 5.637 101 HG13 ILE 15 1HG1 ILE 15 -16.639 1.117 6.942 102 HG21 ILE 15 1HG2 ILE 15 -14.506 3.465 5.595 103 HG22 ILE 15 2HG2 ILE 15 -13.542 3.097 7.033 104 HG23 ILE 15 3HG2 ILE 15 -15.299 3.249 7.157 105 HD11 ILE 15 3HD1 ILE 15 -17.744 1.472 4.713 106 HD12 ILE 15 1HD1 ILE 15 -16.189 2.071 4.134 107 HD13 ILE 15 2HD1 ILE 15 -17.017 2.900 5.452 108 H ILE 16 H ILE 16 -11.907 2.487 4.186 109 HA ILE 16 HA ILE 16 -9.839 1.049 5.672 110 HB ILE 16 HB ILE 16 -9.912 2.504 3.138 111 HG12 ILE 16 2HG1 ILE 16 -8.131 0.425 4.404 112 HG13 ILE 16 1HG1 ILE 16 -9.393 0.167 3.209 113 HG21 ILE 16 1HG2 ILE 16 -7.493 2.916 4.878 114 HG22 ILE 16 2HG2 ILE 16 -8.647 4.169 4.410 115 HG23 ILE 16 3HG2 ILE 16 -7.666 3.371 3.182 116 HD11 ILE 16 3HD1 ILE 16 -7.846 0.270 1.634 117 HD12 ILE 16 1HD1 ILE 16 -6.618 0.715 2.819 118 HD13 ILE 16 2HD1 ILE 16 -7.590 1.966 2.045 119 H ALA 17 H ALA 17 -9.110 1.852 7.501 120 HA ALA 17 HA ALA 17 -9.155 4.757 7.895 121 HB1 ALA 17 1HB ALA 17 -10.322 4.683 9.911 122 HB2 ALA 17 2HB ALA 17 -10.104 2.941 10.083 123 HB3 ALA 17 3HB ALA 17 -11.213 3.574 8.861 124 H ILE 18 H ILE 18 -7.372 5.534 8.773 125 HA ILE 18 HA ILE 18 -5.228 3.746 9.472 126 HB ILE 18 HB ILE 18 -5.353 6.765 9.514 127 HG12 ILE 18 2HG1 ILE 18 -3.707 6.147 7.470 128 HG13 ILE 18 1HG1 ILE 18 -4.775 4.748 7.419 129 HG21 ILE 18 1HG2 ILE 18 -3.622 5.858 11.011 130 HG22 ILE 18 2HG2 ILE 18 -2.937 6.727 9.638 131 HG23 ILE 18 3HG2 ILE 18 -2.940 4.962 9.652 132 HD11 ILE 18 3HD1 ILE 18 -6.661 6.075 6.994 133 HD12 ILE 18 1HD1 ILE 18 -5.387 6.718 5.957 134 HD13 ILE 18 2HD1 ILE 18 -5.819 7.558 7.447 135 H ASN 19 H ASN 19 -4.631 3.121 11.440 136 HA ASN 19 HA ASN 19 -6.044 4.200 13.756 137 HB2 ASN 19 2HB ASN 19 -5.446 1.636 13.071 138 HB3 ASN 19 1HB ASN 19 -4.104 2.010 14.148 139 HD21 ASN 19 1HD2 ASN 19 -4.658 2.855 16.279 140 HD22 ASN 19 2HD2 ASN 19 -6.106 2.301 17.043 141 H GLU 20 H GLU 20 -5.037 6.150 14.137 142 HA GLU 20 HA GLU 20 -2.143 6.151 14.555 143 HB2 GLU 20 2HB GLU 20 -4.180 8.368 14.356 144 HB3 GLU 20 1HB GLU 20 -2.507 8.650 14.822 145 HG2 GLU 20 2HG GLU 20 -2.197 7.213 12.536 146 HG3 GLU 20 1HG GLU 20 -3.670 8.118 12.192 147 H ASP 21 H ASP 21 -4.101 4.873 16.394 148 HA ASP 21 HA ASP 21 -3.702 6.511 18.798 149 HB2 ASP 21 2HB ASP 21 -5.625 4.280 18.155 150 HB3 ASP 21 1HB ASP 21 -5.351 4.829 19.805 151 H VAL 22 H VAL 22 -2.332 3.947 17.154 152 HA VAL 22 HA VAL 22 -1.371 2.664 19.625 153 HB VAL 22 HB VAL 22 -0.667 0.794 18.253 154 HG11 VAL 22 1HG1 VAL 22 -3.117 1.161 18.988 155 HG12 VAL 22 2HG1 VAL 22 -2.759 -0.110 17.819 156 HG13 VAL 22 3HG1 VAL 22 -3.424 1.429 17.272 157 HG21 VAL 22 3HG2 VAL 22 0.061 1.723 16.236 158 HG22 VAL 22 1HG2 VAL 22 -1.457 2.583 15.975 159 HG23 VAL 22 2HG2 VAL 22 -1.393 0.829 15.791 160 H SER 23 H SER 23 0.997 1.642 19.016 161 HA SER 23 HA SER 23 2.728 3.880 19.031 162 HB2 SER 23 2HB SER 23 2.996 0.990 19.314 163 HB3 SER 23 1HB SER 23 4.340 1.696 18.418 164 HG SER 23 HG SER 23 3.428 2.384 21.012 165 HA PRO 24 HA PRO 24 3.806 2.958 14.541 166 HB2 PRO 24 2HB PRO 24 3.478 0.590 13.416 167 HB3 PRO 24 1HB PRO 24 4.735 0.814 14.639 168 HG2 PRO 24 2HG PRO 24 2.056 -0.480 14.888 169 HG3 PRO 24 1HG PRO 24 3.596 -0.942 15.630 170 HD2 PRO 24 2HD PRO 24 1.550 0.546 16.855 171 HD3 PRO 24 1HD PRO 24 3.217 0.378 17.435 172 H ALA 25 H ALA 25 2.309 4.274 13.608 173 HA ALA 25 HA ALA 25 -0.413 3.988 13.505 174 HB1 ALA 25 1HB ALA 25 0.124 5.232 11.107 175 HB2 ALA 25 2HB ALA 25 1.561 5.572 12.073 176 HB3 ALA 25 3HB ALA 25 -0.034 6.019 12.678 177 H GLU 26 H GLU 26 -1.653 2.442 12.734 178 HA GLU 26 HA GLU 26 -0.740 0.902 10.394 179 HB2 GLU 26 2HB GLU 26 -2.268 -0.872 11.214 180 HB3 GLU 26 1HB GLU 26 -0.983 -0.484 12.350 181 HG2 GLU 26 2HG GLU 26 -2.523 0.843 13.675 182 HG3 GLU 26 1HG GLU 26 -3.815 0.521 12.518 183 H LEU 27 H LEU 27 -2.660 -0.088 9.175 184 HA LEU 27 HA LEU 27 -4.777 1.924 8.812 185 HB2 LEU 27 2HB LEU 27 -3.197 1.998 6.955 186 HB3 LEU 27 1HB LEU 27 -3.361 0.270 6.719 187 HG LEU 27 HG LEU 27 -5.940 1.563 6.556 188 HD11 LEU 27 1HD1 LEU 27 -5.551 2.807 4.485 189 HD12 LEU 27 2HD1 LEU 27 -3.816 2.536 4.651 190 HD13 LEU 27 3HD1 LEU 27 -4.674 3.513 5.842 191 HD21 LEU 27 3HD2 LEU 27 -6.257 0.010 4.970 192 HD22 LEU 27 1HD2 LEU 27 -4.732 -0.666 5.551 193 HD23 LEU 27 2HD2 LEU 27 -4.749 0.401 4.145 194 H THR 28 H THR 28 -6.599 1.019 9.614 195 HA THR 28 HA THR 28 -6.951 -1.877 9.353 196 HB THR 28 HB THR 28 -8.769 -0.095 10.936 197 HG1 THR 28 1HG THR 28 -6.322 -1.162 11.885 198 HG21 THR 28 3HG2 THR 28 -9.201 -1.955 12.255 199 HG22 THR 28 1HG2 THR 28 -7.768 -2.811 11.687 200 HG23 THR 28 2HG2 THR 28 -9.152 -2.602 10.614 201 H TRP 29 H TRP 29 -8.072 -2.608 7.702 202 HA TRP 29 HA TRP 29 -10.079 -0.955 6.410 203 HB2 TRP 29 2HB TRP 29 -8.538 -2.083 4.929 204 HB3 TRP 29 1HB TRP 29 -8.871 -3.635 5.694 205 HD1 TRP 29 HD TRP 29 -10.748 -0.953 3.662 206 HE1 TRP 29 1HE TRP 29 -12.537 -2.130 2.212 207 HE3 TRP 29 3HE TRP 29 -10.108 -5.719 5.350 208 HZ2 TRP 29 2HZ TRP 29 -13.542 -4.765 1.861 209 HZ3 TRP 29 3HZ TRP 29 -11.524 -7.508 4.430 210 HH2 TRP 29 HH TRP 29 -13.199 -7.038 2.725 211 H ARG 30 H ARG 30 -12.049 -1.025 7.291 212 HA ARG 30 HA ARG 30 -13.041 -3.620 8.281 213 HB2 ARG 30 2HB ARG 30 -12.851 -1.718 9.943 214 HB3 ARG 30 1HB ARG 30 -14.102 -0.890 9.026 215 HG2 ARG 30 2HG ARG 30 -15.750 -2.320 9.710 216 HG3 ARG 30 1HG ARG 30 -14.630 -3.660 9.968 217 HD2 ARG 30 2HD ARG 30 -14.152 -3.023 12.081 218 HD3 ARG 30 1HD ARG 30 -14.213 -1.305 11.687 219 HE ARG 30 HE ARG 30 -16.816 -2.273 11.575 220 HH11 ARG 30 1HH1 ARG 30 -14.302 -1.851 13.958 221 HH12 ARG 30 2HH1 ARG 30 -15.410 -1.639 15.272 222 HH21 ARG 30 1HH2 ARG 30 -18.275 -1.994 13.302 223 HH22 ARG 30 2HH2 ARG 30 -17.665 -1.722 14.901 224 H SER 31 H SER 31 -14.379 -4.561 6.890 225 HA SER 31 HA SER 31 -15.439 -3.526 4.597 226 HB2 SER 31 2HB SER 31 -15.659 -5.823 4.713 227 HB3 SER 31 1HB SER 31 -16.261 -5.785 6.371 228 HG SER 31 HG SER 31 -18.012 -6.239 5.145 229 H THR 32 H THR 32 -17.819 -3.235 4.071 230 HA THR 32 HA THR 32 -18.826 -1.061 5.617 231 HB THR 32 HB THR 32 -20.769 -2.065 3.783 232 HG1 THR 32 1HG THR 32 -18.197 -1.749 2.646 233 HG21 THR 32 3HG2 THR 32 -20.440 0.306 4.360 234 HG22 THR 32 1HG2 THR 32 -20.448 0.008 2.622 235 HG23 THR 32 2HG2 THR 32 -18.921 0.281 3.463 236 H ASP 33 H ASP 33 -19.710 -4.380 5.043 237 HA ASP 33 HA ASP 33 -21.988 -4.245 6.791 238 HB2 ASP 33 2HB ASP 33 -20.738 -6.467 5.197 239 HB3 ASP 33 1HB ASP 33 -22.051 -6.766 6.332 240 H GLY 34 H GLY 34 -18.729 -5.495 6.860 241 HA2 GLY 34 2HA GLY 34 -17.524 -5.520 8.956 242 HA3 GLY 34 1HA GLY 34 -19.034 -5.917 9.761 243 H ASP 35 H ASP 35 -18.232 -7.493 6.785 244 HA ASP 35 HA ASP 35 -17.910 -10.005 8.255 245 HB2 ASP 35 2HB ASP 35 -18.410 -9.614 5.300 246 HB3 ASP 35 1HB ASP 35 -18.501 -11.128 6.195 247 H LYS 36 H LYS 36 -16.140 -7.726 6.417 248 HA LYS 36 HA LYS 36 -13.859 -9.584 6.349 249 HB2 LYS 36 2HB LYS 36 -14.427 -7.479 4.258 250 HB3 LYS 36 1HB LYS 36 -13.127 -8.661 4.242 251 HG2 LYS 36 2HG LYS 36 -15.433 -10.186 4.463 252 HG3 LYS 36 1HG LYS 36 -15.860 -8.900 3.331 253 HD2 LYS 36 2HD LYS 36 -14.510 -9.706 1.724 254 HD3 LYS 36 1HD LYS 36 -13.219 -10.086 2.867 255 HE2 LYS 36 2HE LYS 36 -13.879 -12.221 3.086 256 HE3 LYS 36 1HE LYS 36 -15.589 -11.789 3.119 257 HZ1 LYS 36 3HZ LYS 36 -15.580 -12.793 1.125 258 HZ2 LYS 36 1HZ LYS 36 -13.919 -12.578 0.882 259 HZ3 LYS 36 2HZ LYS 36 -14.991 -11.308 0.567 260 H VAL 37 H VAL 37 -11.933 -8.814 7.022 261 HA VAL 37 HA VAL 37 -11.633 -5.956 7.518 262 HB VAL 37 HB VAL 37 -12.410 -7.603 9.581 263 HG11 VAL 37 1HG1 VAL 37 -10.550 -7.890 11.082 264 HG12 VAL 37 2HG1 VAL 37 -9.447 -7.160 9.914 265 HG13 VAL 37 3HG1 VAL 37 -10.200 -8.715 9.563 266 HG21 VAL 37 3HG2 VAL 37 -12.512 -5.148 9.455 267 HG22 VAL 37 1HG2 VAL 37 -10.790 -5.076 9.825 268 HG23 VAL 37 2HG2 VAL 37 -11.920 -5.726 11.012 269 H HIS 38 H HIS 38 -9.477 -5.251 7.617 270 HA HIS 38 HA HIS 38 -7.302 -7.137 7.489 271 HB2 HIS 38 2HB HIS 38 -8.116 -7.175 5.159 272 HB3 HIS 38 1HB HIS 38 -7.917 -5.428 5.067 273 HD1 HIS 38 1HD HIS 38 -5.900 -8.604 5.315 274 HD2 HIS 38 2HD HIS 38 -5.358 -4.563 4.510 275 HE1 HIS 38 1HE HIS 38 -3.536 -8.394 4.485 276 HE2 HIS 38 2HE HIS 38 -3.205 -5.929 4.080 277 H THR 39 H THR 39 -5.748 -6.244 8.666 278 HA THR 39 HA THR 39 -5.600 -3.315 8.809 279 HB THR 39 HB THR 39 -4.188 -5.173 10.695 280 HG1 THR 39 1HG THR 39 -6.078 -5.068 11.999 281 HG21 THR 39 3HG2 THR 39 -5.367 -2.993 12.007 282 HG22 THR 39 1HG2 THR 39 -4.598 -2.354 10.554 283 HG23 THR 39 2HG2 THR 39 -3.654 -3.291 11.713 284 H VAL 40 H VAL 40 -3.706 -2.216 8.475 285 HA VAL 40 HA VAL 40 -1.398 -3.772 7.511 286 HB VAL 40 HB VAL 40 -2.780 -1.479 6.193 287 HG11 VAL 40 1HG1 VAL 40 0.169 -2.058 5.987 288 HG12 VAL 40 2HG1 VAL 40 -0.601 -0.540 6.450 289 HG13 VAL 40 3HG1 VAL 40 -0.729 -1.123 4.789 290 HG21 VAL 40 3HG2 VAL 40 -1.735 -4.159 5.471 291 HG22 VAL 40 1HG2 VAL 40 -1.893 -2.938 4.207 292 HG23 VAL 40 2HG2 VAL 40 -3.312 -3.436 5.131 293 H VAL 41 H VAL 41 0.536 -3.127 8.239 294 HA VAL 41 HA VAL 41 0.491 -0.826 10.052 295 HB VAL 41 HB VAL 41 2.420 -3.144 9.921 296 HG11 VAL 41 1HG1 VAL 41 3.922 -1.624 10.678 297 HG12 VAL 41 2HG1 VAL 41 3.076 -1.866 12.208 298 HG13 VAL 41 3HG1 VAL 41 2.673 -0.487 11.186 299 HG21 VAL 41 3HG2 VAL 41 0.610 -3.934 11.078 300 HG22 VAL 41 1HG2 VAL 41 0.145 -2.331 11.654 301 HG23 VAL 41 2HG2 VAL 41 1.504 -3.180 12.400 302 H LEU 42 H LEU 42 0.979 0.970 9.051 303 HA LEU 42 HA LEU 42 2.428 1.283 6.716 304 HB2 LEU 42 2HB LEU 42 1.859 3.164 8.987 305 HB3 LEU 42 1HB LEU 42 2.750 3.676 7.568 306 HG LEU 42 HG LEU 42 0.466 4.343 7.302 307 HD11 LEU 42 1HD1 LEU 42 0.381 1.996 5.534 308 HD12 LEU 42 2HD1 LEU 42 1.857 2.960 5.451 309 HD13 LEU 42 3HD1 LEU 42 0.291 3.715 5.151 310 HD21 LEU 42 3HD2 LEU 42 -0.335 2.466 8.903 311 HD22 LEU 42 1HD2 LEU 42 -0.480 1.506 7.433 312 HD23 LEU 42 2HD2 LEU 42 -1.402 2.999 7.605 313 H SER 43 H SER 43 3.576 0.762 9.935 314 HA SER 43 HA SER 43 6.133 1.900 9.723 315 HB2 SER 43 2HB SER 43 6.539 0.976 11.774 316 HB3 SER 43 1HB SER 43 4.792 0.754 11.751 317 HG SER 43 HG SER 43 6.008 -1.156 12.307 318 H THR 44 H THR 44 4.824 -1.118 8.625 319 HA THR 44 HA THR 44 7.447 -2.093 7.802 320 HB THR 44 HB THR 44 6.501 -4.194 7.539 321 HG1 THR 44 1HG THR 44 4.295 -4.508 7.096 322 HG21 THR 44 3HG2 THR 44 5.083 -4.702 9.363 323 HG22 THR 44 1HG2 THR 44 4.497 -3.041 9.451 324 HG23 THR 44 2HG2 THR 44 6.163 -3.413 9.893 325 H ILE 45 H ILE 45 4.477 -0.848 6.526 326 HA ILE 45 HA ILE 45 4.561 -1.468 3.879 327 HB ILE 45 HB ILE 45 3.804 1.184 5.104 328 HG12 ILE 45 2HG1 ILE 45 2.413 -0.562 5.949 329 HG13 ILE 45 1HG1 ILE 45 1.479 0.262 4.705 330 HG21 ILE 45 1HG2 ILE 45 4.283 1.489 2.735 331 HG22 ILE 45 2HG2 ILE 45 2.553 1.619 3.045 332 HG23 ILE 45 3HG2 ILE 45 3.212 0.147 2.333 333 HD11 ILE 45 3HD1 ILE 45 2.507 -1.636 3.184 334 HD12 ILE 45 1HD1 ILE 45 1.052 -1.896 4.146 335 HD13 ILE 45 2HD1 ILE 45 2.612 -2.475 4.731 336 H ASP 46 H ASP 46 6.438 -1.586 2.795 337 HA ASP 46 HA ASP 46 8.624 0.124 3.018 338 HB2 ASP 46 2HB ASP 46 8.191 -2.201 1.731 339 HB3 ASP 46 1HB ASP 46 8.129 -1.094 0.362 340 H LYS 47 H LYS 47 5.713 0.391 1.057 341 HA LYS 47 HA LYS 47 6.089 3.164 0.664 342 HB2 LYS 47 2HB LYS 47 6.203 2.915 -1.923 343 HB3 LYS 47 1HB LYS 47 7.682 2.821 -0.980 344 HG2 LYS 47 2HG LYS 47 7.217 0.260 -1.018 345 HG3 LYS 47 1HG LYS 47 6.196 0.664 -2.397 346 HD2 LYS 47 2HD LYS 47 8.056 1.646 -3.559 347 HD3 LYS 47 1HD LYS 47 9.094 1.455 -2.143 348 HE2 LYS 47 2HE LYS 47 9.073 -0.914 -2.348 349 HE3 LYS 47 1HE LYS 47 7.794 -0.861 -3.559 350 HZ1 LYS 47 3HZ LYS 47 10.617 -0.019 -3.864 351 HZ2 LYS 47 1HZ LYS 47 9.416 0.396 -4.983 352 HZ3 LYS 47 2HZ LYS 47 9.797 -1.230 -4.712 353 H LEU 48 H LEU 48 4.473 4.063 -0.919 354 HA LEU 48 HA LEU 48 2.005 2.462 -0.788 355 HB2 LEU 48 2HB LEU 48 2.574 5.088 0.053 356 HB3 LEU 48 1HB LEU 48 1.577 5.257 -1.378 357 HG LEU 48 HG LEU 48 0.133 3.408 -0.064 358 HD11 LEU 48 1HD1 LEU 48 1.812 3.510 1.822 359 HD12 LEU 48 2HD1 LEU 48 0.124 3.747 2.271 360 HD13 LEU 48 3HD1 LEU 48 1.207 5.134 2.151 361 HD21 LEU 48 3HD2 LEU 48 -0.393 5.794 -0.938 362 HD22 LEU 48 1HD2 LEU 48 -0.158 6.274 0.742 363 HD23 LEU 48 2HD2 LEU 48 -1.402 5.094 0.328 364 H GLN 49 H GLN 49 0.447 2.853 -2.586 365 HA GLN 49 HA GLN 49 1.710 3.678 -5.093 366 HB2 GLN 49 2HB GLN 49 1.384 0.983 -4.378 367 HB3 GLN 49 1HB GLN 49 0.112 1.315 -5.544 368 HG2 GLN 49 2HG GLN 49 1.669 0.849 -7.067 369 HG3 GLN 49 1HG GLN 49 2.254 2.480 -6.741 370 HE21 GLN 49 1HE2 GLN 49 3.675 2.485 -4.634 371 HE22 GLN 49 2HE2 GLN 49 4.938 1.295 -4.631 372 H ALA 50 H ALA 50 0.353 4.627 -6.528 373 HA ALA 50 HA ALA 50 -2.527 4.400 -6.184 374 HB1 ALA 50 1HB ALA 50 -1.939 6.229 -4.685 375 HB2 ALA 50 2HB ALA 50 -2.867 6.817 -6.065 376 HB3 ALA 50 3HB ALA 50 -1.121 7.061 -6.008 377 H THR 51 H THR 51 -3.563 4.450 -8.075 378 HA THR 51 HA THR 51 -2.189 4.423 -10.519 379 HB THR 51 HB THR 51 -4.651 4.886 -11.389 380 HG1 THR 51 1HG THR 51 -5.574 5.495 -9.469 381 HG21 THR 51 3HG2 THR 51 -5.166 2.421 -10.461 382 HG22 THR 51 1HG2 THR 51 -3.414 2.467 -10.269 383 HG23 THR 51 2HG2 THR 51 -4.136 2.752 -11.853 384 HA PRO 52 HA PRO 52 -1.339 8.869 -10.740 385 HB2 PRO 52 2HB PRO 52 -0.376 8.534 -13.346 386 HB3 PRO 52 1HB PRO 52 0.593 8.491 -11.869 387 HG2 PRO 52 2HG PRO 52 -0.623 6.225 -13.401 388 HG3 PRO 52 1HG PRO 52 0.992 6.341 -12.676 389 HD2 PRO 52 2HD PRO 52 -0.864 4.943 -11.471 390 HD3 PRO 52 1HD PRO 52 0.137 6.053 -10.506 391 H ALA 53 H ALA 53 -2.015 10.571 -12.223 392 HA ALA 53 HA ALA 53 -4.696 10.447 -12.939 393 HB1 ALA 53 1HB ALA 53 -2.924 12.444 -12.701 394 HB2 ALA 53 2HB ALA 53 -4.478 12.622 -13.517 395 HB3 ALA 53 3HB ALA 53 -3.015 12.340 -14.460 396 H SER 54 H SER 54 -1.947 9.261 -14.636 397 HA SER 54 HA SER 54 -3.120 9.358 -17.253 398 HB2 SER 54 2HB SER 54 -0.578 9.188 -16.476 399 HB3 SER 54 1HB SER 54 -0.906 7.463 -16.637 400 HG SER 54 HG SER 54 -1.081 9.475 -18.616 401 H SER 55 H SER 55 -3.282 7.234 -14.564 402 HA SER 55 HA SER 55 -4.194 4.974 -16.154 403 HB2 SER 55 2HB SER 55 -3.833 5.325 -13.169 404 HB3 SER 55 1HB SER 55 -4.387 3.835 -13.933 405 HG SER 55 HG SER 55 -2.368 3.955 -15.172 406 H GLU 56 H GLU 56 -6.232 4.905 -16.809 407 HA GLU 56 HA GLU 56 -8.282 6.561 -15.836 408 HB2 GLU 56 2HB GLU 56 -8.196 4.165 -17.626 409 HB3 GLU 56 1HB GLU 56 -9.752 4.774 -17.076 410 HG2 GLU 56 2HG GLU 56 -9.653 6.598 -18.386 411 HG3 GLU 56 1HG GLU 56 -7.914 6.794 -18.168 412 H LYS 57 H LYS 57 -7.098 3.519 -14.757 413 HA LYS 57 HA LYS 57 -9.486 2.937 -13.199 414 HB2 LYS 57 2HB LYS 57 -6.880 1.474 -13.601 415 HB3 LYS 57 1HB LYS 57 -8.090 0.948 -12.439 416 HG2 LYS 57 2HG LYS 57 -8.627 -0.339 -14.252 417 HG3 LYS 57 1HG LYS 57 -9.690 1.047 -14.500 418 HD2 LYS 57 2HD LYS 57 -7.376 1.820 -15.764 419 HD3 LYS 57 1HD LYS 57 -7.448 0.091 -16.106 420 HE2 LYS 57 2HE LYS 57 -9.550 0.282 -17.151 421 HE3 LYS 57 1HE LYS 57 -9.813 1.901 -16.503 422 HZ1 LYS 57 3HZ LYS 57 -7.575 2.265 -17.907 423 HZ2 LYS 57 1HZ LYS 57 -9.125 2.518 -18.534 424 HZ3 LYS 57 2HZ LYS 57 -8.317 1.064 -18.839 425 H MET 58 H MET 58 -9.745 3.483 -11.129 426 HA MET 58 HA MET 58 -7.528 4.791 -9.751 427 HB2 MET 58 2HB MET 58 -10.412 4.579 -8.877 428 HB3 MET 58 1HB MET 58 -9.187 5.662 -8.232 429 HG2 MET 58 2HG MET 58 -9.133 6.393 -10.816 430 HG3 MET 58 1HG MET 58 -10.813 5.877 -10.675 431 HE1 MET 58 3HE MET 58 -8.468 9.082 -8.700 432 HE2 MET 58 1HE MET 58 -8.145 7.350 -8.624 433 HE3 MET 58 2HE MET 58 -9.098 8.125 -7.360 434 H MET 59 H MET 59 -6.234 3.398 -8.718 435 HA MET 59 HA MET 59 -7.365 1.759 -6.616 436 HB2 MET 59 2HB MET 59 -5.521 0.384 -8.548 437 HB3 MET 59 1HB MET 59 -6.577 -0.329 -7.337 438 HG2 MET 59 2HG MET 59 -8.524 0.217 -8.652 439 HG3 MET 59 1HG MET 59 -7.523 1.056 -9.835 440 HE1 MET 59 3HE MET 59 -5.789 -1.680 -11.812 441 HE2 MET 59 1HE MET 59 -5.199 -0.463 -10.680 442 HE3 MET 59 2HE MET 59 -6.449 -0.045 -11.852 443 H LEU 60 H LEU 60 -5.987 1.473 -4.924 444 HA LEU 60 HA LEU 60 -3.262 2.551 -5.265 445 HB2 LEU 60 2HB LEU 60 -5.291 2.916 -3.124 446 HB3 LEU 60 1HB LEU 60 -3.609 2.852 -2.641 447 HG LEU 60 HG LEU 60 -3.197 4.698 -4.350 448 HD11 LEU 60 1HD1 LEU 60 -6.021 5.496 -4.091 449 HD12 LEU 60 2HD1 LEU 60 -5.688 4.173 -5.209 450 HD13 LEU 60 3HD1 LEU 60 -4.890 5.731 -5.422 451 HD21 LEU 60 3HD2 LEU 60 -3.747 4.781 -1.712 452 HD22 LEU 60 1HD2 LEU 60 -5.028 5.822 -2.335 453 HD23 LEU 60 2HD2 LEU 60 -3.339 6.200 -2.677 454 H ARG 61 H ARG 61 -1.558 1.394 -4.497 455 HA ARG 61 HA ARG 61 -2.184 -1.221 -3.291 456 HB2 ARG 61 2HB ARG 61 0.377 -0.670 -4.756 457 HB3 ARG 61 1HB ARG 61 -0.410 -2.209 -4.448 458 HG2 ARG 61 2HG ARG 61 -1.929 -1.928 -6.171 459 HG3 ARG 61 1HG ARG 61 -1.717 -0.178 -6.208 460 HD2 ARG 61 2HD ARG 61 -0.467 -0.662 -8.026 461 HD3 ARG 61 1HD ARG 61 0.780 -0.937 -6.811 462 HE ARG 61 HE ARG 61 -0.573 -2.933 -8.416 463 HH11 ARG 61 1HH1 ARG 61 1.431 -2.309 -5.623 464 HH12 ARG 61 2HH1 ARG 61 2.053 -3.923 -5.556 465 HH21 ARG 61 1HH2 ARG 61 0.246 -5.053 -8.325 466 HH22 ARG 61 2HH2 ARG 61 1.382 -5.480 -7.089 467 H LEU 62 H LEU 62 -0.714 -2.050 -1.717 468 HA LEU 62 HA LEU 62 0.883 0.031 -0.374 469 HB2 LEU 62 2HB LEU 62 -1.405 -1.138 0.592 470 HB3 LEU 62 1HB LEU 62 -0.162 -2.138 1.307 471 HG LEU 62 HG LEU 62 0.342 -0.592 2.844 472 HD11 LEU 62 1HD1 LEU 62 0.680 1.789 2.393 473 HD12 LEU 62 2HD1 LEU 62 0.141 1.542 0.732 474 HD13 LEU 62 3HD1 LEU 62 1.616 0.764 1.307 475 HD21 LEU 62 3HD2 LEU 62 -1.407 1.063 3.321 476 HD22 LEU 62 1HD2 LEU 62 -2.069 -0.532 2.962 477 HD23 LEU 62 2HD2 LEU 62 -2.119 0.738 1.739 478 H ILE 63 H ILE 63 2.970 -0.444 -0.503 479 HA ILE 63 HA ILE 63 3.845 -3.191 -0.859 480 HB ILE 63 HB ILE 63 5.444 -0.625 -0.754 481 HG12 ILE 63 2HG1 ILE 63 3.981 -0.707 -2.695 482 HG13 ILE 63 1HG1 ILE 63 5.648 -0.968 -3.202 483 HG21 ILE 63 1HG2 ILE 63 6.802 -2.522 -0.082 484 HG22 ILE 63 2HG2 ILE 63 7.280 -1.969 -1.687 485 HG23 ILE 63 3HG2 ILE 63 6.292 -3.420 -1.512 486 HD11 ILE 63 3HD1 ILE 63 3.334 -2.713 -3.408 487 HD12 ILE 63 1HD1 ILE 63 4.768 -3.512 -2.762 488 HD13 ILE 63 2HD1 ILE 63 4.839 -2.700 -4.328 489 H GLY 64 H GLY 64 4.711 -4.443 0.681 490 HA2 GLY 64 2HA GLY 64 5.131 -3.219 3.336 491 HA3 GLY 64 1HA GLY 64 4.620 -4.879 3.078 492 H LYS 65 H LYS 65 6.633 -4.656 4.746 493 HA LYS 65 HA LYS 65 9.170 -4.755 3.344 494 HB2 LYS 65 2HB LYS 65 8.375 -4.142 5.959 495 HB3 LYS 65 1HB LYS 65 9.278 -5.643 6.099 496 HG2 LYS 65 2HG LYS 65 10.678 -3.641 6.388 497 HG3 LYS 65 1HG LYS 65 11.193 -4.650 5.035 498 HD2 LYS 65 2HD LYS 65 10.707 -3.065 3.506 499 HD3 LYS 65 1HD LYS 65 9.253 -2.544 4.359 500 HE2 LYS 65 2HE LYS 65 10.383 -1.023 5.638 501 HE3 LYS 65 1HE LYS 65 11.888 -1.940 5.593 502 HZ1 LYS 65 3HZ LYS 65 11.992 -1.291 3.168 503 HZ2 LYS 65 1HZ LYS 65 12.254 -0.047 4.286 504 HZ3 LYS 65 2HZ LYS 65 10.764 -0.177 3.499 505 H VAL 66 H VAL 66 10.423 -6.551 3.008 506 HA VAL 66 HA VAL 66 9.053 -9.049 2.920 507 HB VAL 66 HB VAL 66 11.373 -7.907 1.723 508 HG11 VAL 66 1HG1 VAL 66 12.796 -9.882 1.549 509 HG12 VAL 66 2HG1 VAL 66 11.737 -10.747 2.660 510 HG13 VAL 66 3HG1 VAL 66 12.650 -9.347 3.223 511 HG21 VAL 66 3HG2 VAL 66 10.442 -8.806 -0.084 512 HG22 VAL 66 1HG2 VAL 66 9.167 -9.420 0.968 513 HG23 VAL 66 2HG2 VAL 66 10.562 -10.432 0.589 514 H ASP 67 H ASP 67 10.683 -7.488 5.172 515 HA ASP 67 HA ASP 67 11.497 -7.968 7.254 516 HB2 ASP 67 2HB ASP 67 9.661 -10.214 6.644 517 HB3 ASP 67 1HB ASP 67 10.799 -10.479 7.962 518 H GLU 68 H GLU 68 12.665 -10.022 8.467 519 HA GLU 68 HA GLU 68 14.833 -10.775 6.628 520 HB2 GLU 68 2HB GLU 68 14.920 -10.500 9.636 521 HB3 GLU 68 1HB GLU 68 16.283 -10.889 8.595 522 HG2 GLU 68 2HG GLU 68 14.798 -8.387 8.038 523 HG3 GLU 68 1HG GLU 68 15.822 -8.437 9.473 524 H SER 69 H SER 69 12.374 -11.986 8.688 525 HA SER 69 HA SER 69 13.540 -14.677 8.646 526 HB2 SER 69 2HB SER 69 11.529 -13.319 10.393 527 HB3 SER 69 1HB SER 69 11.452 -15.072 10.213 528 HG SER 69 HG SER 69 13.801 -13.663 10.943 529 H LYS 70 H LYS 70 11.087 -12.750 7.233 530 HA LYS 70 HA LYS 70 9.468 -15.001 6.404 531 HB2 LYS 70 2HB LYS 70 7.911 -13.400 6.456 532 HB3 LYS 70 1HB LYS 70 9.132 -12.151 6.624 533 HG2 LYS 70 2HG LYS 70 7.944 -11.543 4.725 534 HG3 LYS 70 1HG LYS 70 9.390 -12.318 4.082 535 HD2 LYS 70 2HD LYS 70 7.795 -14.460 4.235 536 HD3 LYS 70 1HD LYS 70 6.566 -13.212 4.033 537 HE2 LYS 70 2HE LYS 70 8.265 -12.443 2.120 538 HE3 LYS 70 1HE LYS 70 8.641 -14.165 2.147 539 HZ1 LYS 70 3HZ LYS 70 6.663 -13.103 0.717 540 HZ2 LYS 70 1HZ LYS 70 5.818 -13.503 2.127 541 HZ3 LYS 70 2HZ LYS 70 6.656 -14.700 1.276 542 H LYS 71 H LYS 71 12.214 -13.343 5.271 543 HA LYS 71 HA LYS 71 12.056 -13.264 2.559 544 HB2 LYS 71 2HB LYS 71 14.185 -13.557 4.511 545 HB3 LYS 71 1HB LYS 71 14.577 -14.369 3.002 546 HG2 LYS 71 2HG LYS 71 15.151 -12.427 2.123 547 HG3 LYS 71 1HG LYS 71 13.494 -11.856 2.325 548 HD2 LYS 71 2HD LYS 71 14.520 -10.281 3.592 549 HD3 LYS 71 1HD LYS 71 14.372 -11.528 4.831 550 HE2 LYS 71 2HE LYS 71 16.784 -10.902 3.138 551 HE3 LYS 71 1HE LYS 71 16.612 -10.681 4.880 552 HZ1 LYS 71 3HZ LYS 71 16.398 -13.097 5.099 553 HZ2 LYS 71 1HZ LYS 71 17.880 -12.659 4.410 554 HZ3 LYS 71 2HZ LYS 71 16.643 -13.276 3.435 555 H ARG 72 H ARG 72 11.126 -14.730 1.279 556 HA ARG 72 HA ARG 72 10.977 -17.485 1.767 557 HB2 ARG 72 2HB ARG 72 10.127 -17.688 -0.483 558 HB3 ARG 72 1HB ARG 72 9.472 -16.228 0.242 559 HG2 ARG 72 2HG ARG 72 11.957 -15.814 -1.250 560 HG3 ARG 72 1HG ARG 72 10.601 -16.381 -2.226 561 HD2 ARG 72 2HD ARG 72 10.728 -13.923 -0.492 562 HD3 ARG 72 1HD ARG 72 10.558 -13.999 -2.245 563 HE ARG 72 HE ARG 72 8.476 -14.268 -0.290 564 HH11 ARG 72 1HH1 ARG 72 9.454 -15.081 -3.539 565 HH12 ARG 72 2HH1 ARG 72 7.833 -15.279 -4.112 566 HH21 ARG 72 1HH2 ARG 72 6.341 -14.527 -1.042 567 HH22 ARG 72 2HH2 ARG 72 6.065 -14.963 -2.695 568 H LYS 73 H LYS 73 11.743 -18.749 -0.590 569 HA LYS 73 HA LYS 73 14.678 -18.549 -0.436 570 HB2 LYS 73 2HB LYS 73 13.040 -21.012 -1.053 571 HB3 LYS 73 1HB LYS 73 14.786 -20.936 -0.869 572 HG2 LYS 73 2HG LYS 73 12.828 -20.284 1.321 573 HG3 LYS 73 1HG LYS 73 13.586 -21.863 1.097 574 HD2 LYS 73 2HD LYS 73 15.762 -20.260 1.058 575 HD3 LYS 73 1HD LYS 73 14.711 -19.349 2.144 576 HE2 LYS 73 2HE LYS 73 14.376 -21.835 3.129 577 HE3 LYS 73 1HE LYS 73 16.026 -21.963 2.519 578 HZ1 LYS 73 3HZ LYS 73 15.648 -21.152 4.911 579 HZ2 LYS 73 1HZ LYS 73 15.229 -19.675 4.198 580 HZ3 LYS 73 2HZ LYS 73 16.770 -20.328 3.950 581 H ASP 74 H ASP 74 15.511 -20.014 -2.481 582 HA ASP 74 HA ASP 74 14.425 -18.607 -4.822 583 HB2 ASP 74 2HB ASP 74 16.963 -18.525 -3.915 584 HB3 ASP 74 1HB ASP 74 17.081 -19.910 -4.995 585 H ASN 75 H ASN 75 12.922 -20.698 -4.247 586 HA ASN 75 HA ASN 75 11.940 -22.427 -5.384 587 HB2 ASN 75 2HB ASN 75 13.766 -21.578 -7.269 588 HB3 ASN 75 1HB ASN 75 14.185 -23.275 -7.040 589 HD21 ASN 75 1HD2 ASN 75 12.540 -21.360 -8.985 590 HD22 ASN 75 2HD2 ASN 75 11.228 -22.387 -9.440 591 H GLU 76 H GLU 76 15.377 -22.980 -4.893 592 HA GLU 76 HA GLU 76 14.893 -25.716 -4.098 593 HB2 GLU 76 2HB GLU 76 16.819 -25.222 -5.500 594 HB3 GLU 76 1HB GLU 76 17.439 -24.108 -4.289 595 HG2 GLU 76 2HG GLU 76 17.603 -26.010 -2.715 596 HG3 GLU 76 1HG GLU 76 17.148 -27.082 -4.039 597 H GLY 77 H GLY 77 16.159 -22.782 -2.681 598 HA2 GLY 77 2HA GLY 77 15.037 -22.810 -0.238 599 HA3 GLY 77 1HA GLY 77 16.345 -23.966 -0.046 600 H ASN 78 H ASN 78 16.878 -21.356 -2.239 601 HA ASN 78 HA ASN 78 18.921 -20.301 -0.462 602 HB2 ASN 78 2HB ASN 78 18.303 -20.099 -3.364 603 HB3 ASN 78 1HB ASN 78 19.156 -18.745 -2.629 604 HD21 ASN 78 1HD2 ASN 78 19.776 -21.172 -4.474 605 HD22 ASN 78 2HD2 ASN 78 21.298 -21.734 -3.853 606 H GLU 79 H GLU 79 18.359 -18.814 0.984 607 HA GLU 79 HA GLU 79 16.002 -17.317 0.965 608 HB2 GLU 79 2HB GLU 79 18.609 -17.049 2.427 609 HB3 GLU 79 1HB GLU 79 17.369 -15.813 2.600 610 HG2 GLU 79 2HG GLU 79 16.412 -18.559 2.949 611 HG3 GLU 79 1HG GLU 79 17.588 -18.025 4.149 612 H VAL 80 H VAL 80 15.406 -15.458 0.017 613 HA VAL 80 HA VAL 80 17.374 -13.552 -0.909 614 HB VAL 80 HB VAL 80 16.653 -13.549 -3.236 615 HG11 VAL 80 1HG1 VAL 80 18.554 -14.971 -2.511 616 HG12 VAL 80 2HG1 VAL 80 17.744 -15.558 -3.964 617 HG13 VAL 80 3HG1 VAL 80 17.443 -16.337 -2.410 618 HG21 VAL 80 3HG2 VAL 80 15.272 -16.130 -3.143 619 HG22 VAL 80 1HG2 VAL 80 14.881 -14.662 -4.040 620 HG23 VAL 80 2HG2 VAL 80 14.401 -14.817 -2.351 621 H VAL 81 H VAL 81 15.891 -11.980 -2.528 622 HA VAL 81 HA VAL 81 13.356 -11.423 -1.188 623 HB VAL 81 HB VAL 81 15.486 -9.322 -1.568 624 HG11 VAL 81 1HG1 VAL 81 13.798 -8.190 0.129 625 HG12 VAL 81 2HG1 VAL 81 12.658 -9.285 -0.654 626 HG13 VAL 81 3HG1 VAL 81 13.551 -8.107 -1.615 627 HG21 VAL 81 3HG2 VAL 81 14.558 -10.590 1.004 628 HG22 VAL 81 1HG2 VAL 81 15.783 -9.335 0.828 629 HG23 VAL 81 2HG2 VAL 81 16.078 -10.951 0.188 630 HA PRO 82 HA PRO 82 13.267 -10.850 -5.805 631 HB2 PRO 82 2HB PRO 82 11.054 -12.317 -6.268 632 HB3 PRO 82 1HB PRO 82 12.668 -13.030 -6.164 633 HG2 PRO 82 2HG PRO 82 10.517 -12.904 -4.098 634 HG3 PRO 82 1HG PRO 82 11.579 -14.254 -4.526 635 HD2 PRO 82 2HD PRO 82 12.007 -12.659 -2.366 636 HD3 PRO 82 1HD PRO 82 13.319 -13.447 -3.262 637 H LYS 83 H LYS 83 10.380 -11.010 -3.710 638 HA LYS 83 HA LYS 83 9.641 -8.336 -4.632 639 HB2 LYS 83 2HB LYS 83 7.700 -10.651 -4.653 640 HB3 LYS 83 1HB LYS 83 7.344 -8.987 -5.092 641 HG2 LYS 83 2HG LYS 83 7.716 -9.650 -7.184 642 HG3 LYS 83 1HG LYS 83 9.427 -9.581 -6.756 643 HD2 LYS 83 2HD LYS 83 9.113 -12.000 -5.946 644 HD3 LYS 83 1HD LYS 83 7.609 -11.968 -6.869 645 HE2 LYS 83 2HE LYS 83 10.376 -11.445 -7.951 646 HE3 LYS 83 1HE LYS 83 9.427 -12.911 -8.192 647 HZ1 LYS 83 3HZ LYS 83 9.297 -11.434 -10.102 648 HZ2 LYS 83 1HZ LYS 83 8.668 -10.198 -9.132 649 HZ3 LYS 83 2HZ LYS 83 7.778 -11.614 -9.380 650 HA PRO 84 HA PRO 84 8.626 -7.997 -0.311 651 HB2 PRO 84 2HB PRO 84 7.727 -5.499 -0.282 652 HB3 PRO 84 1HB PRO 84 9.425 -5.845 -0.636 653 HG2 PRO 84 2HG PRO 84 7.183 -5.242 -2.518 654 HG3 PRO 84 1HG PRO 84 8.839 -4.611 -2.519 655 HD2 PRO 84 2HD PRO 84 7.981 -6.673 -4.116 656 HD3 PRO 84 1HD PRO 84 9.665 -6.454 -3.600 657 H GLN 85 H GLN 85 6.870 -8.392 0.963 658 HA GLN 85 HA GLN 85 4.421 -9.145 -0.175 659 HB2 GLN 85 2HB GLN 85 5.088 -8.412 2.681 660 HB3 GLN 85 1HB GLN 85 3.575 -9.152 2.176 661 HG2 GLN 85 2HG GLN 85 6.084 -10.515 1.392 662 HG3 GLN 85 1HG GLN 85 5.628 -10.561 3.095 663 HE21 GLN 85 1HE2 GLN 85 5.171 -11.912 0.046 664 HE22 GLN 85 2HE2 GLN 85 3.816 -12.929 0.422 665 H ARG 86 H ARG 86 2.949 -7.876 -1.080 666 HA ARG 86 HA ARG 86 2.369 -5.278 0.172 667 HB2 ARG 86 2HB ARG 86 2.115 -4.259 -2.027 668 HB3 ARG 86 1HB ARG 86 3.734 -4.918 -1.837 669 HG2 ARG 86 2HG ARG 86 1.699 -6.663 -3.094 670 HG3 ARG 86 1HG ARG 86 2.289 -5.288 -4.029 671 HD2 ARG 86 2HD ARG 86 4.632 -6.107 -3.412 672 HD3 ARG 86 1HD ARG 86 3.843 -7.604 -2.916 673 HE ARG 86 HE ARG 86 3.649 -8.162 -5.116 674 HH11 ARG 86 1HH1 ARG 86 4.103 -4.709 -4.902 675 HH12 ARG 86 2HH1 ARG 86 4.207 -4.490 -6.616 676 HH21 ARG 86 1HH2 ARG 86 3.784 -7.876 -7.371 677 HH22 ARG 86 2HH2 ARG 86 4.025 -6.287 -8.019 678 H HIS 87 H HIS 87 0.244 -4.393 -0.430 679 HA HIS 87 HA HIS 87 -1.717 -6.542 -0.901 680 HB2 HIS 87 2HB HIS 87 -2.295 -4.017 0.639 681 HB3 HIS 87 1HB HIS 87 -3.214 -5.518 0.619 682 HD1 HIS 87 1HD HIS 87 -1.794 -7.638 1.700 683 HD2 HIS 87 2HD HIS 87 -0.673 -3.787 2.789 684 HE1 HIS 87 1HE HIS 87 -0.466 -7.898 3.820 685 HE2 HIS 87 2HE HIS 87 0.280 -5.564 4.407 686 H MET 88 H MET 88 -3.593 -6.017 -2.115 687 HA MET 88 HA MET 88 -3.216 -3.683 -3.871 688 HB2 MET 88 2HB MET 88 -3.268 -6.210 -4.695 689 HB3 MET 88 1HB MET 88 -5.004 -5.934 -4.654 690 HG2 MET 88 2HG MET 88 -4.483 -5.387 -6.819 691 HG3 MET 88 1HG MET 88 -4.443 -3.812 -6.029 692 HE1 MET 88 3HE MET 88 -1.758 -5.547 -8.754 693 HE2 MET 88 1HE MET 88 -2.256 -3.866 -8.941 694 HE3 MET 88 2HE MET 88 -3.463 -5.114 -8.633 695 H PHE 89 H PHE 89 -4.490 -2.057 -3.282 696 HA PHE 89 HA PHE 89 -7.234 -2.669 -2.404 697 HB2 PHE 89 2HB PHE 89 -5.499 -0.265 -1.796 698 HB3 PHE 89 1HB PHE 89 -7.184 -0.428 -1.312 699 HD1 PHE 89 2HD PHE 89 -7.762 -2.521 0.111 700 HD2 PHE 89 1HD PHE 89 -3.828 -0.972 -0.374 701 HE1 PHE 89 2HE PHE 89 -7.059 -3.671 2.170 702 HE2 PHE 89 1HE PHE 89 -3.118 -2.120 1.684 703 HZ PHE 89 HZ PHE 89 -4.735 -3.471 2.958 704 H SER 90 H SER 90 -8.943 -1.721 -3.428 705 HA SER 90 HA SER 90 -8.288 -0.121 -5.813 706 HB2 SER 90 2HB SER 90 -10.933 -1.477 -5.527 707 HB3 SER 90 1HB SER 90 -9.982 -1.162 -6.979 708 HG SER 90 HG SER 90 -8.978 -2.999 -6.719 709 H PHE 91 H PHE 91 -9.191 1.832 -6.109 710 HA PHE 91 HA PHE 91 -11.041 2.788 -4.026 711 HB2 PHE 91 2HB PHE 91 -8.873 4.187 -5.576 712 HB3 PHE 91 1HB PHE 91 -10.160 5.091 -4.788 713 HD1 PHE 91 1HD PHE 91 -8.095 2.149 -3.785 714 HD2 PHE 91 2HD PHE 91 -9.396 6.098 -2.881 715 HE1 PHE 91 1HE PHE 91 -6.852 2.065 -1.666 716 HE2 PHE 91 2HE PHE 91 -8.154 6.025 -0.759 717 HZ PHE 91 HZ PHE 91 -6.882 4.008 -0.144 718 H ASN 92 H ASN 92 -12.967 3.633 -4.606 719 HA ASN 92 HA ASN 92 -13.620 3.602 -7.461 720 HB2 ASN 92 2HB ASN 92 -15.179 3.194 -4.959 721 HB3 ASN 92 1HB ASN 92 -16.023 3.892 -6.339 722 HD21 ASN 92 1HD2 ASN 92 -14.200 1.123 -5.207 723 HD22 ASN 92 2HD2 ASN 92 -14.810 0.006 -6.374 724 H ASN 93 H ASN 93 -13.171 5.741 -4.818 725 HA ASN 93 HA ASN 93 -14.367 7.943 -6.367 726 HB2 ASN 93 2HB ASN 93 -14.938 7.225 -3.782 727 HB3 ASN 93 1HB ASN 93 -13.729 8.483 -3.549 728 HD21 ASN 93 1HD2 ASN 93 -16.819 8.134 -3.357 729 HD22 ASN 93 2HD2 ASN 93 -17.404 9.616 -4.046 730 H ARG 94 H ARG 94 -13.205 9.834 -6.672 731 HA ARG 94 HA ARG 94 -10.338 9.519 -6.628 732 HB2 ARG 94 2HB ARG 94 -10.410 11.847 -7.665 733 HB3 ARG 94 1HB ARG 94 -11.153 10.545 -8.584 734 HG2 ARG 94 2HG ARG 94 -13.065 11.818 -6.832 735 HG3 ARG 94 1HG ARG 94 -12.292 12.985 -7.907 736 HD2 ARG 94 2HD ARG 94 -13.045 11.893 -9.826 737 HD3 ARG 94 1HD ARG 94 -13.362 10.390 -8.960 738 HE ARG 94 HE ARG 94 -15.023 12.400 -7.925 739 HH11 ARG 94 1HH1 ARG 94 -14.596 10.533 -10.843 740 HH12 ARG 94 2HH1 ARG 94 -16.268 10.610 -11.286 741 HH21 ARG 94 1HH2 ARG 94 -17.223 12.501 -8.507 742 HH22 ARG 94 2HH2 ARG 94 -17.759 11.728 -9.960 743 H THR 95 H THR 95 -12.760 11.430 -4.927 744 HA THR 95 HA THR 95 -11.046 13.199 -3.620 745 HB THR 95 HB THR 95 -13.457 12.331 -2.222 746 HG1 THR 95 1HG THR 95 -14.466 12.073 -4.066 747 HG21 THR 95 3HG2 THR 95 -12.279 14.445 -1.733 748 HG22 THR 95 1HG2 THR 95 -13.977 14.656 -2.163 749 HG23 THR 95 2HG2 THR 95 -12.718 14.998 -3.348 750 H VAL 96 H VAL 96 -12.492 10.140 -2.514 751 HA VAL 96 HA VAL 96 -11.343 10.069 0.019 752 HB VAL 96 HB VAL 96 -13.118 8.524 -0.695 753 HG11 VAL 96 1HG1 VAL 96 -11.854 8.120 -2.953 754 HG12 VAL 96 2HG1 VAL 96 -12.867 6.857 -2.256 755 HG13 VAL 96 3HG1 VAL 96 -11.116 6.790 -2.063 756 HG21 VAL 96 3HG2 VAL 96 -12.155 6.450 0.331 757 HG22 VAL 96 1HG2 VAL 96 -11.922 7.920 1.278 758 HG23 VAL 96 2HG2 VAL 96 -10.586 7.257 0.337 759 H MET 97 H MET 97 -10.065 9.006 -3.092 760 HA MET 97 HA MET 97 -7.751 7.739 -2.103 761 HB2 MET 97 2HB MET 97 -8.347 7.218 -4.323 762 HB3 MET 97 1HB MET 97 -8.492 8.911 -4.769 763 HG2 MET 97 2HG MET 97 -6.082 9.174 -4.624 764 HG3 MET 97 1HG MET 97 -5.917 7.490 -4.130 765 HE1 MET 97 3HE MET 97 -5.043 9.503 -7.148 766 HE2 MET 97 1HE MET 97 -6.681 10.028 -6.762 767 HE3 MET 97 2HE MET 97 -6.357 9.201 -8.285 768 H ASP 98 H ASP 98 -8.511 11.038 -2.887 769 HA ASP 98 HA ASP 98 -5.879 12.070 -2.844 770 HB2 ASP 98 2HB ASP 98 -8.623 13.210 -2.735 771 HB3 ASP 98 1HB ASP 98 -7.307 14.233 -2.166 772 H ASN 99 H ASN 99 -8.327 11.610 -0.346 773 HA ASN 99 HA ASN 99 -6.732 12.900 1.683 774 HB2 ASN 99 2HB ASN 99 -9.228 11.219 1.991 775 HB3 ASN 99 1HB ASN 99 -8.525 12.276 3.211 776 HD21 ASN 99 1HD2 ASN 99 -10.894 12.032 0.975 777 HD22 ASN 99 2HD2 ASN 99 -11.193 13.716 0.675 778 H ILE 100 H ILE 100 -7.385 9.640 0.595 779 HA ILE 100 HA ILE 100 -6.197 8.336 2.846 780 HB ILE 100 HB ILE 100 -6.857 7.331 0.075 781 HG12 ILE 100 2HG1 ILE 100 -8.677 8.057 1.776 782 HG13 ILE 100 1HG1 ILE 100 -8.847 6.501 0.975 783 HG21 ILE 100 1HG2 ILE 100 -5.402 5.687 0.572 784 HG22 ILE 100 2HG2 ILE 100 -6.716 5.093 1.587 785 HG23 ILE 100 3HG2 ILE 100 -5.417 6.051 2.298 786 HD11 ILE 100 3HD1 ILE 100 -9.392 6.308 3.314 787 HD12 ILE 100 1HD1 ILE 100 -7.821 6.971 3.763 788 HD13 ILE 100 2HD1 ILE 100 -7.921 5.402 2.962 789 H LYS 101 H LYS 101 -5.125 8.826 -0.521 790 HA LYS 101 HA LYS 101 -2.591 7.703 -0.258 791 HB2 LYS 101 2HB LYS 101 -3.773 8.389 -2.391 792 HB3 LYS 101 1HB LYS 101 -3.254 10.035 -2.051 793 HG2 LYS 101 2HG LYS 101 -0.899 9.211 -2.041 794 HG3 LYS 101 1HG LYS 101 -1.506 7.646 -2.586 795 HD2 LYS 101 2HD LYS 101 -1.010 8.590 -4.607 796 HD3 LYS 101 1HD LYS 101 -2.676 9.143 -4.425 797 HE2 LYS 101 2HE LYS 101 -0.623 10.882 -3.229 798 HE3 LYS 101 1HE LYS 101 -0.585 10.765 -4.989 799 HZ1 LYS 101 3HZ LYS 101 -2.614 11.752 -5.191 800 HZ2 LYS 101 1HZ LYS 101 -2.079 12.521 -3.782 801 HZ3 LYS 101 2HZ LYS 101 -3.166 11.229 -3.680 802 H MET 102 H MET 102 -3.655 11.039 0.288 803 HA MET 102 HA MET 102 -1.049 12.041 0.814 804 HB2 MET 102 2HB MET 102 -2.137 14.070 1.509 805 HB3 MET 102 1HB MET 102 -2.951 13.455 0.079 806 HG2 MET 102 2HG MET 102 -4.749 14.004 1.353 807 HG3 MET 102 1HG MET 102 -4.522 12.330 1.856 808 HE1 MET 102 3HE MET 102 -4.929 15.765 2.577 809 HE2 MET 102 1HE MET 102 -3.349 16.149 3.262 810 HE3 MET 102 2HE MET 102 -4.748 15.960 4.321 811 H THR 103 H THR 103 -3.640 10.832 2.820 812 HA THR 103 HA THR 103 -2.362 11.494 5.292 813 HB THR 103 HB THR 103 -4.664 9.629 4.687 814 HG1 THR 103 1HG THR 103 -5.812 11.368 4.733 815 HG21 THR 103 3HG2 THR 103 -4.925 10.546 7.287 816 HG22 THR 103 1HG2 THR 103 -3.238 10.049 7.157 817 HG23 THR 103 2HG2 THR 103 -4.527 8.906 6.774 818 H LEU 104 H LEU 104 -2.553 8.602 3.280 819 HA LEU 104 HA LEU 104 -1.370 6.834 5.122 820 HB2 LEU 104 2HB LEU 104 -1.995 6.837 2.261 821 HB3 LEU 104 1HB LEU 104 -0.568 5.900 2.657 822 HG LEU 104 HG LEU 104 -1.835 4.514 4.185 823 HD11 LEU 104 1HD1 LEU 104 -4.463 4.969 3.918 824 HD12 LEU 104 2HD1 LEU 104 -3.864 6.624 3.807 825 HD13 LEU 104 3HD1 LEU 104 -3.490 5.644 5.225 826 HD21 LEU 104 3HD2 LEU 104 -1.817 3.862 1.841 827 HD22 LEU 104 1HD2 LEU 104 -3.246 4.851 1.539 828 HD23 LEU 104 2HD2 LEU 104 -3.356 3.440 2.592 829 H GLN 105 H GLN 105 0.093 8.521 2.341 830 HA GLN 105 HA GLN 105 2.740 7.853 2.825 831 HB2 GLN 105 2HB GLN 105 3.333 9.847 1.526 832 HB3 GLN 105 1HB GLN 105 2.007 8.969 0.775 833 HG2 GLN 105 2HG GLN 105 0.472 10.610 1.987 834 HG3 GLN 105 1HG GLN 105 1.926 11.569 2.259 835 HE21 GLN 105 1HE2 GLN 105 0.604 9.710 -0.460 836 HE22 GLN 105 2HE2 GLN 105 0.741 10.992 -1.622 837 H GLN 106 H GLN 106 0.680 10.112 4.459 838 HA GLN 106 HA GLN 106 2.652 11.695 5.697 839 HB2 GLN 106 2HB GLN 106 -0.213 11.314 5.923 840 HB3 GLN 106 1HB GLN 106 0.524 11.534 7.504 841 HG2 GLN 106 2HG GLN 106 0.618 13.401 5.153 842 HG3 GLN 106 1HG GLN 106 -0.151 13.666 6.717 843 HE21 GLN 106 1HE2 GLN 106 2.786 13.725 4.921 844 HE22 GLN 106 2HE2 GLN 106 3.782 14.428 6.157 845 H ILE 107 H ILE 107 1.254 8.603 6.445 846 HA ILE 107 HA ILE 107 2.567 8.380 9.014 847 HB ILE 107 HB ILE 107 1.064 6.347 7.356 848 HG12 ILE 107 2HG1 ILE 107 -0.207 6.893 9.826 849 HG13 ILE 107 1HG1 ILE 107 0.224 8.450 9.125 850 HG21 ILE 107 1HG2 ILE 107 2.125 6.108 10.166 851 HG22 ILE 107 2HG2 ILE 107 2.711 5.239 8.747 852 HG23 ILE 107 3HG2 ILE 107 1.084 4.937 9.358 853 HD11 ILE 107 3HD1 ILE 107 -1.669 6.387 8.147 854 HD12 ILE 107 1HD1 ILE 107 -0.834 7.394 6.966 855 HD13 ILE 107 2HD1 ILE 107 -1.835 8.141 8.211 856 H ILE 108 H ILE 108 2.995 7.286 5.729 857 HA ILE 108 HA ILE 108 4.985 5.381 5.970 858 HB ILE 108 HB ILE 108 4.833 7.498 3.821 859 HG12 ILE 108 2HG1 ILE 108 2.667 6.409 4.126 860 HG13 ILE 108 1HG1 ILE 108 3.397 5.952 2.596 861 HG21 ILE 108 1HG2 ILE 108 5.930 4.698 3.722 862 HG22 ILE 108 2HG2 ILE 108 6.888 6.177 3.796 863 HG23 ILE 108 3HG2 ILE 108 5.873 5.852 2.390 864 HD11 ILE 108 3HD1 ILE 108 3.950 3.806 3.403 865 HD12 ILE 108 1HD1 ILE 108 2.279 4.115 3.873 866 HD13 ILE 108 2HD1 ILE 108 3.571 4.259 5.065 867 H SER 109 H SER 109 5.500 8.805 5.185 868 HA SER 109 HA SER 109 8.267 8.813 5.567 869 HB2 SER 109 2HB SER 109 6.538 10.618 4.591 870 HB3 SER 109 1HB SER 109 6.786 11.311 6.192 871 HG SER 109 HG SER 109 9.082 11.162 5.722 872 H ARG 110 H ARG 110 5.692 8.926 7.854 873 HA ARG 110 HA ARG 110 6.777 10.201 10.030 874 HB2 ARG 110 2HB ARG 110 4.539 8.698 9.571 875 HB3 ARG 110 1HB ARG 110 5.421 7.677 10.698 876 HG2 ARG 110 2HG ARG 110 5.625 9.732 12.167 877 HG3 ARG 110 1HG ARG 110 4.430 10.477 11.102 878 HD2 ARG 110 2HD ARG 110 2.782 9.436 12.168 879 HD3 ARG 110 1HD ARG 110 3.524 7.869 11.845 880 HE ARG 110 HE ARG 110 4.286 7.827 14.000 881 HH11 ARG 110 1HH1 ARG 110 3.326 11.089 13.214 882 HH12 ARG 110 2HH1 ARG 110 3.510 11.667 14.835 883 HH21 ARG 110 1HH2 ARG 110 4.528 8.586 16.134 884 HH22 ARG 110 2HH2 ARG 110 4.193 10.247 16.494 885 H TYR 111 H TYR 111 7.669 7.133 8.663 886 HA TYR 111 HA TYR 111 9.360 6.493 10.963 887 HB2 TYR 111 2HB TYR 111 9.106 4.795 8.495 888 HB3 TYR 111 1HB TYR 111 9.509 4.301 10.136 889 HD1 TYR 111 1HD TYR 111 7.638 4.542 11.910 890 HD2 TYR 111 2HD TYR 111 6.925 4.570 7.716 891 HE1 TYR 111 1HE TYR 111 5.286 3.952 12.312 892 HE2 TYR 111 2HE TYR 111 4.570 3.980 8.105 893 HH TYR 111 HH TYR 111 3.071 4.248 11.044 894 H LYS 112 H LYS 112 9.523 7.543 7.645 895 HA LYS 112 HA LYS 112 12.297 7.033 7.257 896 HB2 LYS 112 2HB LYS 112 10.698 9.142 5.817 897 HB3 LYS 112 1HB LYS 112 12.089 8.243 5.227 898 HG2 LYS 112 2HG LYS 112 9.337 7.139 5.744 899 HG3 LYS 112 1HG LYS 112 10.068 7.454 4.171 900 HD2 LYS 112 2HD LYS 112 11.539 5.676 4.350 901 HD3 LYS 112 1HD LYS 112 11.433 5.636 6.112 902 HE2 LYS 112 2HE LYS 112 10.113 3.849 5.709 903 HE3 LYS 112 1HE LYS 112 8.879 5.089 5.490 904 HZ1 LYS 112 3HZ LYS 112 8.591 4.021 3.546 905 HZ2 LYS 112 1HZ LYS 112 10.156 3.375 3.523 906 HZ3 LYS 112 2HZ LYS 112 9.892 4.974 3.039 907 H ASP 113 H ASP 113 10.539 10.104 7.716 908 HA ASP 113 HA ASP 113 12.788 11.717 8.067 909 HB2 ASP 113 2HB ASP 113 10.378 12.448 7.696 910 HB3 ASP 113 1HB ASP 113 10.131 12.189 9.420 911 H ALA 114 H ALA 114 11.083 9.659 10.315 912 HA ALA 114 HA ALA 114 12.279 10.728 12.677 913 HB1 ALA 114 1HB ALA 114 11.218 8.969 13.840 914 HB2 ALA 114 2HB ALA 114 11.110 7.973 12.389 915 HB3 ALA 114 3HB ALA 114 10.114 9.421 12.541 916 H ASP 115 H ASP 115 13.118 8.223 10.385 917 HA ASP 115 HA ASP 115 15.264 7.194 12.036 918 HB2 ASP 115 2HB ASP 115 13.962 5.685 10.573 919 HB3 ASP 115 1HB ASP 115 14.551 6.562 9.164 920 H TYR 90 1HT TYR 90 4.626 -5.815 -14.897 921 HA TYR 90 HA TYR 90 2.714 -4.726 -16.831 922 HB2 TYR 90 2HB TYR 90 3.524 -7.253 -16.358 923 HB3 TYR 90 1HB TYR 90 2.248 -7.130 -15.151 924 HD1 TYR 90 2HD TYR 90 0.273 -5.444 -16.541 925 HD2 TYR 90 1HD TYR 90 2.656 -8.650 -18.007 926 HE1 TYR 90 2HE TYR 90 -1.413 -5.899 -18.273 927 HE2 TYR 90 1HE TYR 90 0.977 -9.112 -19.744 928 HH TYR 90 HH TYR 90 -0.821 -8.005 -20.909 929 H ASP 91 H ASP 91 3.201 -5.545 -13.408 930 HA ASP 91 HA ASP 91 0.658 -4.322 -12.702 931 HB2 ASP 91 2HB ASP 91 2.681 -5.992 -11.269 932 HB3 ASP 91 1HB ASP 91 1.603 -4.974 -10.319 933 H SER 92 H SER 92 4.083 -3.667 -12.523 934 HA SER 92 HA SER 92 3.617 -1.261 -10.928 935 HB2 SER 92 2HB SER 92 5.493 -2.679 -10.252 936 HB3 SER 92 1HB SER 92 6.200 -2.537 -11.861 937 HG SER 92 HG SER 92 6.483 -0.328 -11.489 938 H GLU 93 H GLU 93 4.498 -2.290 -14.146 939 HA GLU 93 HA GLU 93 5.502 0.121 -15.153 940 HB2 GLU 93 2HB GLU 93 4.062 -2.169 -16.485 941 HB3 GLU 93 1HB GLU 93 4.695 -0.799 -17.388 942 HG2 GLU 93 2HG GLU 93 6.895 -1.365 -16.960 943 HG3 GLU 93 1HG GLU 93 6.477 -2.342 -15.554 944 H GLU 94 H GLU 94 2.228 -0.973 -14.607 945 HA GLU 94 HA GLU 94 1.086 1.283 -16.040 946 HB2 GLU 94 2HB GLU 94 -0.135 -1.021 -14.522 947 HB3 GLU 94 1HB GLU 94 -1.092 0.288 -15.202 948 HG2 GLU 94 2HG GLU 94 0.384 -0.446 -17.352 949 HG3 GLU 94 1HG GLU 94 0.202 -1.988 -16.517 950 H PHE 95 H PHE 95 0.700 -0.009 -12.733 951 HA PHE 95 HA PHE 95 -0.216 2.538 -11.758 952 HB2 PHE 95 2HB PHE 95 0.599 0.214 -10.026 953 HB3 PHE 95 1HB PHE 95 -0.606 1.455 -9.699 954 HD1 PHE 95 2HD PHE 95 -2.294 1.477 -12.009 955 HD2 PHE 95 1HD PHE 95 -0.435 -1.833 -10.087 956 HE1 PHE 95 2HE PHE 95 -4.056 -0.009 -12.871 957 HE2 PHE 95 1HE PHE 95 -2.193 -3.325 -10.946 958 HZ PHE 95 HZ PHE 95 -4.008 -2.413 -12.338 959 H GLU 96 H GLU 96 0.909 4.065 -10.681 960 HA GLU 96 HA GLU 96 3.804 3.654 -10.438 961 HB2 GLU 96 2HB GLU 96 2.068 6.013 -10.931 962 HB3 GLU 96 1HB GLU 96 3.536 6.287 -10.004 963 HG2 GLU 96 2HG GLU 96 4.097 6.722 -12.238 964 HG3 GLU 96 1HG GLU 96 4.782 5.139 -11.874 965 H ASP 97 H ASP 97 4.923 4.419 -8.561 966 HA ASP 97 HA ASP 97 3.394 3.972 -6.127 967 HB2 ASP 97 2HB ASP 97 5.586 3.857 -5.023 968 HB3 ASP 97 1HB ASP 97 5.513 2.775 -6.411 969 H VAL 98 H VAL 98 3.784 5.363 -4.228 970 HA VAL 98 HA VAL 98 4.441 8.140 -4.889 971 HB VAL 98 HB VAL 98 2.003 7.961 -5.089 972 HG11 VAL 98 1HG1 VAL 98 1.686 7.444 -2.184 973 HG12 VAL 98 2HG1 VAL 98 2.046 6.073 -3.231 974 HG13 VAL 98 3HG1 VAL 98 0.613 7.057 -3.527 975 HG21 VAL 98 3HG2 VAL 98 2.419 9.418 -2.522 976 HG22 VAL 98 1HG2 VAL 98 1.538 9.912 -3.968 977 HG23 VAL 98 2HG2 VAL 98 3.302 9.940 -3.957 978 H THR 99 H THR 99 6.069 8.611 -3.566 979 HA THR 99 HA THR 99 5.721 8.209 -0.702 980 HB THR 99 HB THR 99 8.411 7.484 -1.719 981 HG1 THR 99 1HG THR 99 6.237 5.671 -1.853 982 HG21 THR 99 3HG2 THR 99 7.182 5.645 0.119 983 HG22 THR 99 1HG2 THR 99 7.088 7.301 0.716 984 HG23 THR 99 2HG2 THR 99 8.652 6.602 0.294 985 H ASP 100 H ASP 100 7.952 9.098 0.350 986 HA ASP 100 HA ASP 100 8.995 11.391 -1.065 987 HB2 ASP 100 2HB ASP 100 6.991 11.638 1.131 988 HB3 ASP 100 1HB ASP 100 8.313 12.800 1.084 989 H GLY 101 H GLY 101 10.864 9.984 -0.693 990 HA2 GLY 101 2HA GLY 101 11.792 9.671 2.033 991 HA3 GLY 101 1HA GLY 101 12.627 9.149 0.578 992 H ASN 102 H ASN 102 12.397 11.528 3.001 993 HA ASN 102 HA ASN 102 13.740 13.638 1.619 994 HB2 ASN 102 2HB ASN 102 14.048 14.567 3.948 995 HB3 ASN 102 1HB ASN 102 12.380 14.248 3.485 996 HD21 ASN 102 1HD2 ASN 102 15.132 12.851 5.197 997 HD22 ASN 102 2HD2 ASN 102 14.196 11.970 6.349 998 H GLU 103 H GLU 103 15.839 14.534 2.650 999 HA GLU 103 HA GLU 103 17.702 12.658 3.716 1000 HB2 GLU 103 2HB GLU 103 17.394 12.294 1.068 1001 HB3 GLU 103 1HB GLU 103 18.608 13.565 1.042 1002 HG2 GLU 103 2HG GLU 103 19.054 11.236 2.828 1003 HG3 GLU 103 1HG GLU 103 19.264 11.016 1.091 1004 H VAL 104 H VAL 104 17.869 14.397 5.205 1005 HA VAL 104 HA VAL 104 18.711 17.001 4.387 1006 HB VAL 104 HB VAL 104 17.470 16.662 6.473 1007 HG11 VAL 104 1HG1 VAL 104 19.682 14.813 7.019 1008 HG12 VAL 104 2HG1 VAL 104 18.019 14.802 7.606 1009 HG13 VAL 104 3HG1 VAL 104 19.219 15.838 8.377 1010 HG21 VAL 104 3HG2 VAL 104 19.433 18.441 6.053 1011 HG22 VAL 104 1HG2 VAL 104 20.058 17.649 7.500 1012 HG23 VAL 104 2HG2 VAL 104 18.463 18.402 7.526 Start of MODEL 10 1 H2 PRO 1 1HT PRO 1 -12.137 13.416 7.510 2 H3 PRO 1 2HT PRO 1 -13.213 12.459 8.307 3 HA PRO 1 HA PRO 1 -12.482 10.845 7.288 4 HB2 PRO 1 2HB PRO 1 -13.140 11.584 4.553 5 HB3 PRO 1 1HB PRO 1 -13.881 10.360 5.591 6 HG2 PRO 1 2HG PRO 1 -15.139 12.666 4.904 7 HG3 PRO 1 1HG PRO 1 -15.429 11.823 6.436 8 HD2 PRO 1 2HD PRO 1 -13.698 14.217 5.890 9 HD3 PRO 1 1HD PRO 1 -14.829 13.934 7.227 10 H SER 2 H SER 2 -10.409 12.424 7.778 11 HA SER 2 HA SER 2 -8.884 12.789 5.313 12 HB2 SER 2 2HB SER 2 -8.924 14.588 7.059 13 HB3 SER 2 1HB SER 2 -8.074 13.489 8.144 14 HG SER 2 HG SER 2 -6.530 14.713 7.151 15 H HIS 3 H HIS 3 -8.726 11.035 8.386 16 HA HIS 3 HA HIS 3 -6.510 9.432 7.311 17 HB2 HIS 3 2HB HIS 3 -7.365 10.182 10.070 18 HB3 HIS 3 1HB HIS 3 -6.548 8.639 9.845 19 HD1 HIS 3 1HD HIS 3 -5.898 12.201 8.640 20 HD2 HIS 3 2HD HIS 3 -3.907 8.939 10.273 21 HE1 HIS 3 1HE HIS 3 -3.501 12.923 8.870 22 HE2 HIS 3 2HE HIS 3 -2.299 10.905 9.781 23 H SER 4 H SER 4 -9.116 8.975 6.354 24 HA SER 4 HA SER 4 -9.321 6.206 6.577 25 HB2 SER 4 2HB SER 4 -11.481 6.035 7.850 26 HB3 SER 4 1HB SER 4 -10.096 6.498 8.838 27 HG SER 4 HG SER 4 -10.887 8.483 9.058 28 H GLY 5 H GLY 5 -10.401 5.496 4.836 29 HA2 GLY 5 2HA GLY 5 -12.643 7.046 3.784 30 HA3 GLY 5 1HA GLY 5 -11.252 6.845 2.728 31 H ALA 6 H ALA 6 -13.863 5.885 2.145 32 HA ALA 6 HA ALA 6 -14.051 3.110 2.763 33 HB1 ALA 6 1HB ALA 6 -15.478 4.946 0.891 34 HB2 ALA 6 2HB ALA 6 -16.103 4.031 2.265 35 HB3 ALA 6 3HB ALA 6 -15.705 3.201 0.759 36 H ALA 7 H ALA 7 -12.496 1.773 2.124 37 HA ALA 7 HA ALA 7 -11.548 1.965 -0.663 38 HB1 ALA 7 1HB ALA 7 -9.872 2.370 1.200 39 HB2 ALA 7 2HB ALA 7 -9.438 1.144 0.007 40 HB3 ALA 7 3HB ALA 7 -10.045 0.658 1.590 41 H ILE 8 H ILE 8 -11.238 0.061 -1.851 42 HA ILE 8 HA ILE 8 -12.869 -2.202 -0.926 43 HB ILE 8 HB ILE 8 -11.888 -1.890 -3.743 44 HG12 ILE 8 2HG1 ILE 8 -12.931 0.200 -3.540 45 HG13 ILE 8 1HG1 ILE 8 -14.205 -0.832 -4.170 46 HG21 ILE 8 1HG2 ILE 8 -12.972 -3.994 -2.870 47 HG22 ILE 8 2HG2 ILE 8 -13.702 -3.285 -4.310 48 HG23 ILE 8 3HG2 ILE 8 -14.464 -3.063 -2.736 49 HD11 ILE 8 3HD1 ILE 8 -14.486 0.855 -2.091 50 HD12 ILE 8 1HD1 ILE 8 -14.100 -0.641 -1.244 51 HD13 ILE 8 2HD1 ILE 8 -15.473 -0.582 -2.346 52 H PHE 9 H PHE 9 -12.064 -4.327 -0.981 53 HA PHE 9 HA PHE 9 -9.227 -4.627 -1.678 54 HB2 PHE 9 2HB PHE 9 -9.348 -4.231 0.753 55 HB3 PHE 9 1HB PHE 9 -10.454 -5.592 0.914 56 HD1 PHE 9 2HD PHE 9 -7.217 -5.079 -0.874 57 HD2 PHE 9 1HD PHE 9 -9.440 -7.368 1.940 58 HE1 PHE 9 2HE PHE 9 -5.299 -6.596 -0.602 59 HE2 PHE 9 1HE PHE 9 -7.527 -8.890 2.219 60 HZ PHE 9 HZ PHE 9 -5.454 -8.506 0.947 61 H GLU 10 H GLU 10 -9.348 -6.032 -3.315 62 HA GLU 10 HA GLU 10 -9.594 -8.015 -4.394 63 HB2 GLU 10 2HB GLU 10 -9.892 -8.742 -1.606 64 HB3 GLU 10 1HB GLU 10 -10.898 -9.755 -2.632 65 HG2 GLU 10 2HG GLU 10 -8.099 -9.307 -3.480 66 HG3 GLU 10 1HG GLU 10 -8.374 -10.338 -2.076 67 H LYS 11 H LYS 11 -11.552 -6.010 -4.594 68 HA LYS 11 HA LYS 11 -13.474 -5.799 -5.818 69 HB2 LYS 11 2HB LYS 11 -14.191 -8.667 -5.274 70 HB3 LYS 11 1HB LYS 11 -14.718 -7.639 -6.599 71 HG2 LYS 11 2HG LYS 11 -11.982 -7.682 -6.891 72 HG3 LYS 11 1HG LYS 11 -12.364 -9.323 -6.367 73 HD2 LYS 11 2HD LYS 11 -12.630 -9.553 -8.629 74 HD3 LYS 11 1HD LYS 11 -14.271 -9.092 -8.173 75 HE2 LYS 11 2HE LYS 11 -14.058 -6.969 -9.035 76 HE3 LYS 11 1HE LYS 11 -12.305 -6.960 -8.861 77 HZ1 LYS 11 3HZ LYS 11 -12.014 -8.112 -10.803 78 HZ2 LYS 11 1HZ LYS 11 -13.388 -7.206 -11.194 79 HZ3 LYS 11 2HZ LYS 11 -13.543 -8.833 -10.755 80 H VAL 12 H VAL 12 -13.287 -6.809 -2.584 81 HA VAL 12 HA VAL 12 -16.136 -6.339 -2.148 82 HB VAL 12 HB VAL 12 -15.202 -8.306 -1.076 83 HG11 VAL 12 1HG1 VAL 12 -13.218 -6.393 -0.009 84 HG12 VAL 12 2HG1 VAL 12 -13.013 -8.042 -0.595 85 HG13 VAL 12 3HG1 VAL 12 -13.702 -7.755 0.998 86 HG21 VAL 12 3HG2 VAL 12 -15.641 -6.659 1.308 87 HG22 VAL 12 1HG2 VAL 12 -16.510 -8.084 0.737 88 HG23 VAL 12 2HG2 VAL 12 -16.872 -6.498 0.055 89 H SER 13 H SER 13 -16.845 -4.440 -1.502 90 HA SER 13 HA SER 13 -15.003 -2.327 -0.973 91 HB2 SER 13 2HB SER 13 -17.073 -0.958 -0.626 92 HB3 SER 13 1HB SER 13 -17.028 -1.802 -2.173 93 HG SER 13 HG SER 13 -18.826 -2.005 -0.181 94 H GLY 14 H GLY 14 -14.955 -1.008 0.925 95 HA2 GLY 14 2HA GLY 14 -16.199 -1.885 3.351 96 HA3 GLY 14 1HA GLY 14 -14.496 -2.311 3.286 97 H ILE 15 H ILE 15 -13.864 -0.959 4.935 98 HA ILE 15 HA ILE 15 -13.828 1.889 4.230 99 HB ILE 15 HB ILE 15 -14.220 1.024 7.078 100 HG12 ILE 15 2HG1 ILE 15 -16.121 0.221 5.631 101 HG13 ILE 15 1HG1 ILE 15 -16.584 1.339 6.907 102 HG21 ILE 15 1HG2 ILE 15 -15.206 3.420 7.092 103 HG22 ILE 15 2HG2 ILE 15 -14.337 3.602 5.568 104 HG23 ILE 15 3HG2 ILE 15 -13.452 3.205 7.050 105 HD11 ILE 15 3HD1 ILE 15 -17.019 3.049 5.411 106 HD12 ILE 15 1HD1 ILE 15 -17.598 1.613 4.566 107 HD13 ILE 15 2HD1 ILE 15 -16.038 2.320 4.139 108 H ILE 16 H ILE 16 -11.809 2.563 4.165 109 HA ILE 16 HA ILE 16 -9.770 1.075 5.635 110 HB ILE 16 HB ILE 16 -9.828 2.550 3.122 111 HG12 ILE 16 2HG1 ILE 16 -7.873 0.605 4.362 112 HG13 ILE 16 1HG1 ILE 16 -9.218 0.200 3.304 113 HG21 ILE 16 1HG2 ILE 16 -7.613 3.508 3.192 114 HG22 ILE 16 2HG2 ILE 16 -7.449 3.066 4.892 115 HG23 ILE 16 3HG2 ILE 16 -8.646 4.267 4.402 116 HD11 ILE 16 3HD1 ILE 16 -6.537 1.099 2.652 117 HD12 ILE 16 1HD1 ILE 16 -7.795 1.998 1.804 118 HD13 ILE 16 2HD1 ILE 16 -7.720 0.241 1.664 119 H ALA 17 H ALA 17 -8.988 1.843 7.483 120 HA ALA 17 HA ALA 17 -9.030 4.734 7.953 121 HB1 ALA 17 1HB ALA 17 -10.174 4.588 9.999 122 HB2 ALA 17 2HB ALA 17 -10.019 2.831 10.056 123 HB3 ALA 17 3HB ALA 17 -11.103 3.584 8.879 124 H ILE 18 H ILE 18 -7.243 5.478 8.898 125 HA ILE 18 HA ILE 18 -5.196 3.570 9.692 126 HB ILE 18 HB ILE 18 -4.983 6.577 9.536 127 HG12 ILE 18 2HG1 ILE 18 -3.676 5.890 7.371 128 HG13 ILE 18 1HG1 ILE 18 -4.663 4.434 7.461 129 HG21 ILE 18 1HG2 ILE 18 -2.596 4.947 9.106 130 HG22 ILE 18 2HG2 ILE 18 -3.284 4.789 10.722 131 HG23 ILE 18 3HG2 ILE 18 -2.829 6.378 10.108 132 HD11 ILE 18 3HD1 ILE 18 -6.606 5.568 7.011 133 HD12 ILE 18 1HD1 ILE 18 -5.439 6.475 6.049 134 HD13 ILE 18 2HD1 ILE 18 -5.975 7.104 7.607 135 H ASN 19 H ASN 19 -5.013 2.952 11.731 136 HA ASN 19 HA ASN 19 -6.239 4.467 13.868 137 HB2 ASN 19 2HB ASN 19 -5.935 1.814 13.497 138 HB3 ASN 19 1HB ASN 19 -4.522 2.132 14.498 139 HD21 ASN 19 1HD2 ASN 19 -4.801 2.855 16.609 140 HD22 ASN 19 2HD2 ASN 19 -6.313 2.712 17.433 141 H GLU 20 H GLU 20 -5.127 6.290 14.333 142 HA GLU 20 HA GLU 20 -2.224 6.189 14.582 143 HB2 GLU 20 2HB GLU 20 -4.046 8.566 14.975 144 HB3 GLU 20 1HB GLU 20 -2.305 8.590 14.734 145 HG2 GLU 20 2HG GLU 20 -4.068 7.399 12.645 146 HG3 GLU 20 1HG GLU 20 -3.914 9.152 12.771 147 H ASP 21 H ASP 21 -4.218 4.944 16.517 148 HA ASP 21 HA ASP 21 -3.592 6.412 18.962 149 HB2 ASP 21 2HB ASP 21 -5.238 3.891 18.679 150 HB3 ASP 21 1HB ASP 21 -5.191 4.987 20.057 151 H VAL 22 H VAL 22 -2.439 3.851 17.079 152 HA VAL 22 HA VAL 22 -1.190 2.416 19.276 153 HB VAL 22 HB VAL 22 -0.269 0.961 17.491 154 HG11 VAL 22 1HG1 VAL 22 -2.181 -0.232 17.338 155 HG12 VAL 22 2HG1 VAL 22 -3.120 1.141 16.755 156 HG13 VAL 22 3HG1 VAL 22 -2.766 0.982 18.476 157 HG21 VAL 22 3HG2 VAL 22 -1.088 3.189 15.835 158 HG22 VAL 22 1HG2 VAL 22 -1.759 1.666 15.251 159 HG23 VAL 22 2HG2 VAL 22 -0.016 1.840 15.460 160 H SER 23 H SER 23 1.255 1.716 18.161 161 HA SER 23 HA SER 23 2.698 4.233 18.461 162 HB2 SER 23 2HB SER 23 3.139 1.750 19.544 163 HB3 SER 23 1HB SER 23 4.299 1.783 18.215 164 HG SER 23 HG SER 23 4.163 3.368 20.510 165 HA PRO 24 HA PRO 24 4.436 2.771 14.304 166 HB2 PRO 24 2HB PRO 24 3.429 0.298 13.399 167 HB3 PRO 24 1HB PRO 24 5.021 0.601 14.092 168 HG2 PRO 24 2HG PRO 24 2.994 -0.940 15.242 169 HG3 PRO 24 1HG PRO 24 4.423 -0.313 16.079 170 HD2 PRO 24 2HD PRO 24 1.631 0.741 16.038 171 HD3 PRO 24 1HD PRO 24 2.826 0.750 17.353 172 H ALA 25 H ALA 25 1.370 3.163 14.968 173 HA ALA 25 HA ALA 25 -0.571 3.652 13.860 174 HB1 ALA 25 1HB ALA 25 0.092 4.814 11.521 175 HB2 ALA 25 2HB ALA 25 1.636 4.912 12.374 176 HB3 ALA 25 3HB ALA 25 0.187 5.623 13.087 177 H GLU 26 H GLU 26 -1.837 2.064 13.155 178 HA GLU 26 HA GLU 26 -0.975 0.512 10.801 179 HB2 GLU 26 2HB GLU 26 -2.974 -0.240 12.941 180 HB3 GLU 26 1HB GLU 26 -2.468 -1.254 11.598 181 HG2 GLU 26 2HG GLU 26 -1.020 -2.111 13.060 182 HG3 GLU 26 1HG GLU 26 -0.079 -0.654 12.741 183 H LEU 27 H LEU 27 -2.697 -0.227 9.361 184 HA LEU 27 HA LEU 27 -4.880 1.732 9.113 185 HB2 LEU 27 2HB LEU 27 -3.244 1.987 7.332 186 HB3 LEU 27 1HB LEU 27 -3.335 0.278 6.965 187 HG LEU 27 HG LEU 27 -5.919 1.649 6.788 188 HD11 LEU 27 1HD1 LEU 27 -3.915 3.219 5.925 189 HD12 LEU 27 2HD1 LEU 27 -5.512 3.176 5.178 190 HD13 LEU 27 3HD1 LEU 27 -4.187 2.246 4.479 191 HD21 LEU 27 3HD2 LEU 27 -5.819 -0.545 5.972 192 HD22 LEU 27 1HD2 LEU 27 -4.306 -0.252 5.112 193 HD23 LEU 27 2HD2 LEU 27 -5.808 0.469 4.529 194 H THR 28 H THR 28 -6.710 0.769 9.750 195 HA THR 28 HA THR 28 -7.040 -2.100 9.265 196 HB THR 28 HB THR 28 -8.681 -0.284 11.032 197 HG1 THR 28 1HG THR 28 -6.453 -1.932 11.614 198 HG21 THR 28 3HG2 THR 28 -9.069 -2.549 12.195 199 HG22 THR 28 1HG2 THR 28 -8.609 -3.243 10.642 200 HG23 THR 28 2HG2 THR 28 -9.996 -2.158 10.747 201 H TRP 29 H TRP 29 -8.193 -2.731 7.582 202 HA TRP 29 HA TRP 29 -10.121 -0.948 6.351 203 HB2 TRP 29 2HB TRP 29 -8.625 -2.132 4.848 204 HB3 TRP 29 1HB TRP 29 -9.086 -3.680 5.553 205 HD1 TRP 29 HD TRP 29 -10.725 -0.794 3.590 206 HE1 TRP 29 1HE TRP 29 -12.582 -1.779 2.092 207 HE3 TRP 29 3HE TRP 29 -10.482 -5.651 5.125 208 HZ2 TRP 29 2HZ TRP 29 -13.784 -4.305 1.639 209 HZ3 TRP 29 3HZ TRP 29 -12.021 -7.288 4.124 210 HH2 TRP 29 HH TRP 29 -13.637 -6.624 2.421 211 H ARG 30 H ARG 30 -12.082 -0.938 7.244 212 HA ARG 30 HA ARG 30 -13.176 -3.476 8.266 213 HB2 ARG 30 2HB ARG 30 -14.064 -0.644 8.858 214 HB3 ARG 30 1HB ARG 30 -14.732 -2.104 9.575 215 HG2 ARG 30 2HG ARG 30 -12.315 -2.539 10.374 216 HG3 ARG 30 1HG ARG 30 -12.071 -0.824 10.036 217 HD2 ARG 30 2HD ARG 30 -14.378 -0.725 11.434 218 HD3 ARG 30 1HD ARG 30 -13.624 -2.139 12.169 219 HE ARG 30 HE ARG 30 -12.802 0.602 12.435 220 HH11 ARG 30 1HH1 ARG 30 -11.762 -2.725 12.606 221 HH12 ARG 30 2HH1 ARG 30 -10.436 -2.386 13.665 222 HH21 ARG 30 1HH2 ARG 30 -11.057 1.050 13.828 223 HH22 ARG 30 2HH2 ARG 30 -10.035 -0.243 14.360 224 H SER 31 H SER 31 -14.470 -4.469 6.865 225 HA SER 31 HA SER 31 -15.469 -3.523 4.509 226 HB2 SER 31 2HB SER 31 -15.628 -5.846 4.860 227 HB3 SER 31 1HB SER 31 -16.515 -5.645 6.371 228 HG SER 31 HG SER 31 -18.122 -6.076 5.033 229 H THR 32 H THR 32 -17.725 -3.075 3.853 230 HA THR 32 HA THR 32 -18.791 -0.913 5.365 231 HB THR 32 HB THR 32 -20.623 -1.854 3.382 232 HG1 THR 32 1HG THR 32 -17.970 -1.551 2.441 233 HG21 THR 32 3HG2 THR 32 -20.310 0.499 4.031 234 HG22 THR 32 1HG2 THR 32 -20.190 0.237 2.291 235 HG23 THR 32 2HG2 THR 32 -18.729 0.473 3.248 236 H ASP 33 H ASP 33 -19.704 -4.205 4.690 237 HA ASP 33 HA ASP 33 -22.129 -4.057 6.201 238 HB2 ASP 33 2HB ASP 33 -20.706 -6.479 5.098 239 HB3 ASP 33 1HB ASP 33 -22.352 -6.448 5.722 240 H GLY 34 H GLY 34 -18.887 -5.252 6.691 241 HA2 GLY 34 2HA GLY 34 -17.899 -5.225 8.880 242 HA3 GLY 34 1HA GLY 34 -19.494 -5.520 9.558 243 H ASP 35 H ASP 35 -18.440 -7.306 6.779 244 HA ASP 35 HA ASP 35 -18.308 -9.717 8.445 245 HB2 ASP 35 2HB ASP 35 -19.862 -9.289 6.284 246 HB3 ASP 35 1HB ASP 35 -18.443 -9.972 5.497 247 H LYS 36 H LYS 36 -16.397 -7.622 6.541 248 HA LYS 36 HA LYS 36 -14.185 -9.561 6.659 249 HB2 LYS 36 2HB LYS 36 -14.656 -7.574 4.433 250 HB3 LYS 36 1HB LYS 36 -13.332 -8.725 4.538 251 HG2 LYS 36 2HG LYS 36 -14.773 -10.564 4.195 252 HG3 LYS 36 1HG LYS 36 -16.212 -9.573 4.445 253 HD2 LYS 36 2HD LYS 36 -16.266 -9.494 2.198 254 HD3 LYS 36 1HD LYS 36 -15.022 -8.257 2.391 255 HE2 LYS 36 2HE LYS 36 -13.366 -9.614 1.648 256 HE3 LYS 36 1HE LYS 36 -14.093 -11.060 2.347 257 HZ1 LYS 36 3HZ LYS 36 -14.050 -10.554 -0.259 258 HZ2 LYS 36 1HZ LYS 36 -15.540 -9.858 0.136 259 HZ3 LYS 36 2HZ LYS 36 -15.249 -11.487 0.482 260 H VAL 37 H VAL 37 -12.172 -8.779 7.182 261 HA VAL 37 HA VAL 37 -11.881 -5.917 7.674 262 HB VAL 37 HB VAL 37 -12.589 -7.555 9.755 263 HG11 VAL 37 1HG1 VAL 37 -9.608 -7.164 9.987 264 HG12 VAL 37 2HG1 VAL 37 -10.402 -8.704 9.659 265 HG13 VAL 37 3HG1 VAL 37 -10.681 -7.877 11.190 266 HG21 VAL 37 3HG2 VAL 37 -12.742 -5.156 9.760 267 HG22 VAL 37 1HG2 VAL 37 -10.986 -5.007 9.828 268 HG23 VAL 37 2HG2 VAL 37 -11.867 -5.688 11.196 269 H HIS 38 H HIS 38 -9.660 -5.256 8.024 270 HA HIS 38 HA HIS 38 -7.540 -7.161 7.556 271 HB2 HIS 38 2HB HIS 38 -8.639 -6.294 5.283 272 HB3 HIS 38 1HB HIS 38 -7.562 -4.934 5.579 273 HD1 HIS 38 1HD HIS 38 -7.597 -8.488 4.526 274 HD2 HIS 38 2HD HIS 38 -4.795 -5.564 5.460 275 HE1 HIS 38 1HE HIS 38 -5.395 -9.378 3.698 276 HE2 HIS 38 2HE HIS 38 -3.729 -7.553 4.196 277 H THR 39 H THR 39 -5.491 -6.348 8.098 278 HA THR 39 HA THR 39 -5.453 -3.584 9.109 279 HB THR 39 HB THR 39 -4.055 -5.843 10.523 280 HG1 THR 39 1HG THR 39 -6.686 -4.875 10.900 281 HG21 THR 39 3HG2 THR 39 -4.932 -3.847 12.287 282 HG22 THR 39 1HG2 THR 39 -4.185 -3.022 10.920 283 HG23 THR 39 2HG2 THR 39 -3.277 -4.238 11.820 284 H VAL 40 H VAL 40 -3.642 -2.422 8.744 285 HA VAL 40 HA VAL 40 -1.320 -3.792 7.561 286 HB VAL 40 HB VAL 40 -2.848 -1.479 6.472 287 HG11 VAL 40 1HG1 VAL 40 0.129 -1.774 6.360 288 HG12 VAL 40 2HG1 VAL 40 -0.837 -0.325 6.638 289 HG13 VAL 40 3HG1 VAL 40 -0.750 -1.028 5.023 290 HG21 VAL 40 3HG2 VAL 40 -3.210 -3.543 5.390 291 HG22 VAL 40 1HG2 VAL 40 -1.483 -3.905 5.366 292 HG23 VAL 40 2HG2 VAL 40 -2.134 -2.626 4.335 293 H VAL 41 H VAL 41 0.602 -3.155 8.324 294 HA VAL 41 HA VAL 41 0.523 -0.995 10.299 295 HB VAL 41 HB VAL 41 2.562 -3.199 9.967 296 HG11 VAL 41 1HG1 VAL 41 2.706 -0.650 11.365 297 HG12 VAL 41 2HG1 VAL 41 3.977 -1.823 11.027 298 HG13 VAL 41 3HG1 VAL 41 2.946 -2.023 12.445 299 HG21 VAL 41 3HG2 VAL 41 1.569 -3.499 12.432 300 HG22 VAL 41 1HG2 VAL 41 0.856 -4.270 11.014 301 HG23 VAL 41 2HG2 VAL 41 0.165 -2.772 11.646 302 H LEU 42 H LEU 42 0.881 0.865 9.330 303 HA LEU 42 HA LEU 42 2.347 1.367 7.044 304 HB2 LEU 42 2HB LEU 42 1.635 3.090 9.397 305 HB3 LEU 42 1HB LEU 42 2.549 3.730 8.046 306 HG LEU 42 HG LEU 42 0.242 4.299 7.740 307 HD11 LEU 42 1HD1 LEU 42 0.368 3.920 5.556 308 HD12 LEU 42 2HD1 LEU 42 0.126 2.188 5.778 309 HD13 LEU 42 3HD1 LEU 42 1.749 2.873 5.880 310 HD21 LEU 42 3HD2 LEU 42 -1.559 2.857 7.905 311 HD22 LEU 42 1HD2 LEU 42 -0.500 2.285 9.194 312 HD23 LEU 42 2HD2 LEU 42 -0.565 1.422 7.658 313 H SER 43 H SER 43 3.477 0.824 10.279 314 HA SER 43 HA SER 43 5.982 2.076 10.122 315 HB2 SER 43 2HB SER 43 5.290 1.396 12.276 316 HB3 SER 43 1HB SER 43 4.969 -0.253 11.741 317 HG SER 43 HG SER 43 7.180 0.676 12.810 318 H THR 44 H THR 44 4.810 -0.910 8.834 319 HA THR 44 HA THR 44 7.507 -1.726 8.039 320 HB THR 44 HB THR 44 6.737 -3.888 7.814 321 HG1 THR 44 1HG THR 44 5.129 -4.075 6.492 322 HG21 THR 44 3HG2 THR 44 6.177 -2.979 10.147 323 HG22 THR 44 1HG2 THR 44 5.463 -4.511 9.643 324 HG23 THR 44 2HG2 THR 44 4.503 -3.032 9.598 325 H ILE 45 H ILE 45 4.456 -0.650 6.803 326 HA ILE 45 HA ILE 45 4.562 -1.253 4.147 327 HB ILE 45 HB ILE 45 3.643 1.342 5.386 328 HG12 ILE 45 2HG1 ILE 45 2.408 -0.544 6.231 329 HG13 ILE 45 1HG1 ILE 45 1.387 0.298 5.071 330 HG21 ILE 45 1HG2 ILE 45 2.327 1.659 3.328 331 HG22 ILE 45 2HG2 ILE 45 3.130 0.260 2.617 332 HG23 ILE 45 3HG2 ILE 45 4.063 1.699 3.026 333 HD11 ILE 45 3HD1 ILE 45 2.856 -2.293 4.700 334 HD12 ILE 45 1HD1 ILE 45 2.134 -1.396 3.366 335 HD13 ILE 45 2HD1 ILE 45 1.116 -2.008 4.668 336 H ASP 46 H ASP 46 6.448 -1.241 3.067 337 HA ASP 46 HA ASP 46 8.498 0.641 3.300 338 HB2 ASP 46 2HB ASP 46 8.281 -1.730 2.048 339 HB3 ASP 46 1HB ASP 46 8.122 -0.659 0.659 340 H LYS 47 H LYS 47 5.587 0.644 1.336 341 HA LYS 47 HA LYS 47 5.576 3.399 0.939 342 HB2 LYS 47 2HB LYS 47 6.081 3.420 -1.543 343 HB3 LYS 47 1HB LYS 47 7.467 3.238 -0.478 344 HG2 LYS 47 2HG LYS 47 6.892 0.655 -0.916 345 HG3 LYS 47 1HG LYS 47 6.309 1.358 -2.426 346 HD2 LYS 47 2HD LYS 47 8.493 2.438 -2.749 347 HD3 LYS 47 1HD LYS 47 9.070 1.698 -1.253 348 HE2 LYS 47 2HE LYS 47 9.293 -0.350 -2.195 349 HE3 LYS 47 1HE LYS 47 7.899 -0.133 -3.252 350 HZ1 LYS 47 3HZ LYS 47 9.695 -0.135 -4.694 351 HZ2 LYS 47 1HZ LYS 47 10.678 0.771 -3.657 352 HZ3 LYS 47 2HZ LYS 47 9.402 1.516 -4.479 353 H LEU 48 H LEU 48 3.826 4.113 -0.408 354 HA LEU 48 HA LEU 48 1.866 1.976 -0.908 355 HB2 LEU 48 2HB LEU 48 0.297 4.107 -0.905 356 HB3 LEU 48 1HB LEU 48 0.747 3.287 0.578 357 HG LEU 48 HG LEU 48 2.486 4.961 0.989 358 HD11 LEU 48 1HD1 LEU 48 1.926 7.082 -0.639 359 HD12 LEU 48 2HD1 LEU 48 1.836 5.717 -1.752 360 HD13 LEU 48 3HD1 LEU 48 3.302 5.994 -0.812 361 HD21 LEU 48 3HD2 LEU 48 -0.195 5.240 1.349 362 HD22 LEU 48 1HD2 LEU 48 0.202 6.724 0.483 363 HD23 LEU 48 2HD2 LEU 48 1.027 6.335 1.991 364 H GLN 49 H GLN 49 0.368 2.348 -2.712 365 HA GLN 49 HA GLN 49 1.565 3.947 -4.875 366 HB2 GLN 49 2HB GLN 49 1.345 1.087 -4.751 367 HB3 GLN 49 1HB GLN 49 0.339 1.689 -6.061 368 HG2 GLN 49 2HG GLN 49 2.356 2.994 -6.837 369 HG3 GLN 49 1HG GLN 49 3.293 2.056 -5.676 370 HE21 GLN 49 1HE2 GLN 49 2.854 -0.378 -5.852 371 HE22 GLN 49 2HE2 GLN 49 2.865 -1.025 -7.463 372 H ALA 50 H ALA 50 0.163 5.186 -5.964 373 HA ALA 50 HA ALA 50 -2.707 4.592 -5.701 374 HB1 ALA 50 1HB ALA 50 -2.019 6.424 -4.173 375 HB2 ALA 50 2HB ALA 50 -3.212 6.914 -5.376 376 HB3 ALA 50 3HB ALA 50 -1.518 7.357 -5.583 377 H THR 51 H THR 51 -3.850 4.663 -7.534 378 HA THR 51 HA THR 51 -2.443 5.273 -10.009 379 HB THR 51 HB THR 51 -4.520 4.361 -11.076 380 HG1 THR 51 1HG THR 51 -5.916 4.877 -9.293 381 HG21 THR 51 3HG2 THR 51 -3.286 2.571 -8.999 382 HG22 THR 51 1HG2 THR 51 -2.685 2.840 -10.634 383 HG23 THR 51 2HG2 THR 51 -4.237 2.042 -10.386 384 HA PRO 52 HA PRO 52 -4.017 9.527 -9.650 385 HB2 PRO 52 2HB PRO 52 -2.918 10.095 -12.160 386 HB3 PRO 52 1HB PRO 52 -2.134 10.363 -10.599 387 HG2 PRO 52 2HG PRO 52 -1.899 8.030 -12.457 388 HG3 PRO 52 1HG PRO 52 -0.626 8.863 -11.545 389 HD2 PRO 52 2HD PRO 52 -1.526 6.552 -10.698 390 HD3 PRO 52 1HD PRO 52 -1.297 7.869 -9.523 391 H ALA 53 H ALA 53 -5.421 10.825 -11.021 392 HA ALA 53 HA ALA 53 -7.588 9.403 -12.061 393 HB1 ALA 53 1HB ALA 53 -7.186 12.141 -13.081 394 HB2 ALA 53 2HB ALA 53 -7.209 11.959 -11.327 395 HB3 ALA 53 3HB ALA 53 -8.584 11.415 -12.289 396 H SER 54 H SER 54 -4.565 10.098 -13.503 397 HA SER 54 HA SER 54 -5.408 10.228 -16.217 398 HB2 SER 54 2HB SER 54 -2.818 9.979 -14.784 399 HB3 SER 54 1HB SER 54 -2.855 9.430 -16.459 400 HG SER 54 HG SER 54 -2.492 11.506 -16.762 401 H SER 55 H SER 55 -4.957 7.654 -13.994 402 HA SER 55 HA SER 55 -4.753 5.646 -16.099 403 HB2 SER 55 2HB SER 55 -4.344 5.680 -13.155 404 HB3 SER 55 1HB SER 55 -4.905 4.166 -13.863 405 HG SER 55 HG SER 55 -2.468 5.454 -14.118 406 H GLU 56 H GLU 56 -6.460 4.615 -16.899 407 HA GLU 56 HA GLU 56 -9.092 5.251 -16.222 408 HB2 GLU 56 2HB GLU 56 -8.039 2.815 -17.666 409 HB3 GLU 56 1HB GLU 56 -9.725 3.312 -17.631 410 HG2 GLU 56 2HG GLU 56 -9.261 4.379 -19.527 411 HG3 GLU 56 1HG GLU 56 -8.484 5.582 -18.498 412 H LYS 57 H LYS 57 -6.927 2.918 -14.900 413 HA LYS 57 HA LYS 57 -9.092 1.610 -13.421 414 HB2 LYS 57 2HB LYS 57 -6.217 0.778 -13.249 415 HB3 LYS 57 1HB LYS 57 -7.666 -0.196 -13.048 416 HG2 LYS 57 2HG LYS 57 -6.491 0.841 -15.614 417 HG3 LYS 57 1HG LYS 57 -6.643 -0.838 -15.090 418 HD2 LYS 57 2HD LYS 57 -8.922 1.036 -15.727 419 HD3 LYS 57 1HD LYS 57 -8.339 -0.273 -16.757 420 HE2 LYS 57 2HE LYS 57 -8.820 -1.800 -14.756 421 HE3 LYS 57 1HE LYS 57 -9.748 -0.448 -14.112 422 HZ1 LYS 57 3HZ LYS 57 -10.242 -1.978 -16.597 423 HZ2 LYS 57 1HZ LYS 57 -10.966 -0.476 -16.307 424 HZ3 LYS 57 2HZ LYS 57 -11.272 -1.776 -15.270 425 H MET 58 H MET 58 -9.587 2.437 -11.507 426 HA MET 58 HA MET 58 -7.581 3.959 -10.025 427 HB2 MET 58 2HB MET 58 -10.474 3.625 -9.261 428 HB3 MET 58 1HB MET 58 -9.366 4.908 -8.795 429 HG2 MET 58 2HG MET 58 -9.354 5.209 -11.472 430 HG3 MET 58 1HG MET 58 -10.985 4.589 -11.227 431 HE1 MET 58 3HE MET 58 -9.016 8.333 -9.716 432 HE2 MET 58 1HE MET 58 -8.397 6.683 -9.635 433 HE3 MET 58 2HE MET 58 -9.401 7.314 -8.329 434 H MET 59 H MET 59 -6.311 2.701 -8.802 435 HA MET 59 HA MET 59 -7.541 1.105 -6.720 436 HB2 MET 59 2HB MET 59 -5.433 -0.263 -8.356 437 HB3 MET 59 1HB MET 59 -6.612 -0.966 -7.257 438 HG2 MET 59 2HG MET 59 -8.380 -0.616 -8.837 439 HG3 MET 59 1HG MET 59 -7.302 0.280 -9.906 440 HE1 MET 59 3HE MET 59 -4.650 -1.348 -9.836 441 HE2 MET 59 1HE MET 59 -5.379 -0.822 -11.354 442 HE3 MET 59 2HE MET 59 -4.864 -2.498 -11.156 443 H LEU 60 H LEU 60 -6.309 0.984 -4.899 444 HA LEU 60 HA LEU 60 -3.726 2.391 -4.991 445 HB2 LEU 60 2HB LEU 60 -5.910 2.849 -3.414 446 HB3 LEU 60 1HB LEU 60 -4.930 1.843 -2.364 447 HG LEU 60 HG LEU 60 -3.029 3.530 -2.974 448 HD11 LEU 60 1HD1 LEU 60 -3.757 5.748 -3.477 449 HD12 LEU 60 2HD1 LEU 60 -5.452 5.265 -3.404 450 HD13 LEU 60 3HD1 LEU 60 -4.420 4.668 -4.704 451 HD21 LEU 60 3HD2 LEU 60 -3.792 5.001 -1.102 452 HD22 LEU 60 1HD2 LEU 60 -3.811 3.275 -0.736 453 HD23 LEU 60 2HD2 LEU 60 -5.317 4.115 -1.107 454 H ARG 61 H ARG 61 -1.877 1.460 -4.171 455 HA ARG 61 HA ARG 61 -2.112 -1.341 -3.279 456 HB2 ARG 61 2HB ARG 61 -0.286 -0.056 -5.248 457 HB3 ARG 61 1HB ARG 61 0.364 -1.353 -4.257 458 HG2 ARG 61 2HG ARG 61 -1.552 -2.773 -5.022 459 HG3 ARG 61 1HG ARG 61 -1.959 -1.486 -6.159 460 HD2 ARG 61 2HD ARG 61 -0.216 -1.953 -7.516 461 HD3 ARG 61 1HD ARG 61 0.854 -2.360 -6.174 462 HE ARG 61 HE ARG 61 -0.584 -4.178 -7.772 463 HH11 ARG 61 1HH1 ARG 61 0.290 -3.616 -4.441 464 HH12 ARG 61 2HH1 ARG 61 0.234 -5.294 -4.014 465 HH21 ARG 61 1HH2 ARG 61 -0.657 -6.384 -7.212 466 HH22 ARG 61 2HH2 ARG 61 -0.303 -6.865 -5.587 467 H LEU 62 H LEU 62 -0.624 -2.083 -1.718 468 HA LEU 62 HA LEU 62 0.836 0.030 -0.282 469 HB2 LEU 62 2HB LEU 62 -1.453 -1.114 0.640 470 HB3 LEU 62 1HB LEU 62 -0.251 -2.176 1.340 471 HG LEU 62 HG LEU 62 0.349 -0.670 2.898 472 HD11 LEU 62 1HD1 LEU 62 0.104 1.455 0.777 473 HD12 LEU 62 2HD1 LEU 62 1.580 0.778 1.472 474 HD13 LEU 62 3HD1 LEU 62 0.525 1.788 2.461 475 HD21 LEU 62 3HD2 LEU 62 -2.094 -0.655 3.022 476 HD22 LEU 62 1HD2 LEU 62 -2.129 0.739 1.942 477 HD23 LEU 62 2HD2 LEU 62 -1.397 0.881 3.542 478 H ILE 63 H ILE 63 2.928 -0.394 -0.201 479 HA ILE 63 HA ILE 63 3.905 -3.092 -0.647 480 HB ILE 63 HB ILE 63 5.457 -0.531 -0.228 481 HG12 ILE 63 2HG1 ILE 63 4.043 -0.484 -2.249 482 HG13 ILE 63 1HG1 ILE 63 5.758 -0.532 -2.652 483 HG21 ILE 63 1HG2 ILE 63 7.238 -1.950 -1.442 484 HG22 ILE 63 2HG2 ILE 63 6.266 -3.328 -0.924 485 HG23 ILE 63 3HG2 ILE 63 6.954 -2.234 0.276 486 HD11 ILE 63 3HD1 ILE 63 3.641 -2.521 -3.120 487 HD12 ILE 63 1HD1 ILE 63 5.229 -3.150 -2.673 488 HD13 ILE 63 2HD1 ILE 63 5.057 -2.110 -4.090 489 H GLY 64 H GLY 64 5.492 -4.077 0.770 490 HA2 GLY 64 2HA GLY 64 5.205 -3.190 3.578 491 HA3 GLY 64 1HA GLY 64 5.143 -4.884 3.115 492 H LYS 65 H LYS 65 6.907 -4.278 5.021 493 HA LYS 65 HA LYS 65 9.480 -3.591 3.937 494 HB2 LYS 65 2HB LYS 65 8.364 -3.654 6.484 495 HB3 LYS 65 1HB LYS 65 9.544 -4.957 6.507 496 HG2 LYS 65 2HG LYS 65 10.448 -2.800 7.288 497 HG3 LYS 65 1HG LYS 65 11.308 -3.451 5.892 498 HD2 LYS 65 2HD LYS 65 10.971 -1.518 4.846 499 HD3 LYS 65 1HD LYS 65 9.239 -1.857 4.856 500 HE2 LYS 65 2HE LYS 65 8.980 -0.724 6.963 501 HE3 LYS 65 1HE LYS 65 10.724 -0.511 7.109 502 HZ1 LYS 65 3HZ LYS 65 10.309 0.671 4.780 503 HZ2 LYS 65 1HZ LYS 65 10.211 1.498 6.253 504 HZ3 LYS 65 2HZ LYS 65 8.801 0.958 5.490 505 H VAL 66 H VAL 66 11.120 -4.925 3.332 506 HA VAL 66 HA VAL 66 10.525 -7.770 3.187 507 HB VAL 66 HB VAL 66 10.791 -6.600 1.061 508 HG11 VAL 66 1HG1 VAL 66 13.022 -5.411 2.383 509 HG12 VAL 66 2HG1 VAL 66 12.288 -4.995 0.835 510 HG13 VAL 66 3HG1 VAL 66 13.566 -6.207 0.906 511 HG21 VAL 66 3HG2 VAL 66 11.375 -8.667 0.472 512 HG22 VAL 66 1HG2 VAL 66 12.359 -8.890 1.920 513 HG23 VAL 66 2HG2 VAL 66 13.041 -8.088 0.505 514 H ASP 67 H ASP 67 13.588 -7.422 2.486 515 HA ASP 67 HA ASP 67 14.951 -7.092 4.898 516 HB2 ASP 67 2HB ASP 67 13.806 -9.769 4.421 517 HB3 ASP 67 1HB ASP 67 15.512 -9.762 4.860 518 H GLU 68 H GLU 68 16.903 -6.505 4.244 519 HA GLU 68 HA GLU 68 17.942 -7.585 1.723 520 HB2 GLU 68 2HB GLU 68 19.602 -5.662 1.976 521 HB3 GLU 68 1HB GLU 68 17.930 -5.231 1.646 522 HG2 GLU 68 2HG GLU 68 17.633 -4.264 3.665 523 HG3 GLU 68 1HG GLU 68 18.716 -5.387 4.487 524 H SER 69 H SER 69 18.007 -9.083 4.223 525 HA SER 69 HA SER 69 20.764 -9.022 5.099 526 HB2 SER 69 2HB SER 69 20.133 -10.593 6.752 527 HB3 SER 69 1HB SER 69 18.740 -9.526 6.588 528 HG SER 69 HG SER 69 19.040 -12.196 5.864 529 H LYS 70 H LYS 70 18.907 -10.652 2.726 530 HA LYS 70 HA LYS 70 20.979 -12.708 2.416 531 HB2 LYS 70 2HB LYS 70 19.217 -14.072 2.214 532 HB3 LYS 70 1HB LYS 70 18.103 -12.718 2.150 533 HG2 LYS 70 2HG LYS 70 17.805 -14.030 0.187 534 HG3 LYS 70 1HG LYS 70 18.583 -12.519 -0.283 535 HD2 LYS 70 2HD LYS 70 19.999 -13.875 -1.393 536 HD3 LYS 70 1HD LYS 70 20.745 -14.083 0.193 537 HE2 LYS 70 2HE LYS 70 18.768 -15.891 -1.179 538 HE3 LYS 70 1HE LYS 70 20.431 -16.255 -0.717 539 HZ1 LYS 70 3HZ LYS 70 18.881 -17.257 0.820 540 HZ2 LYS 70 1HZ LYS 70 18.171 -15.757 1.146 541 HZ3 LYS 70 2HZ LYS 70 19.770 -16.055 1.612 542 H LYS 71 H LYS 71 19.051 -10.382 0.542 543 HA LYS 71 HA LYS 71 19.467 -9.270 -1.397 544 HB2 LYS 71 2HB LYS 71 22.256 -9.836 -0.438 545 HB3 LYS 71 1HB LYS 71 21.984 -9.038 -1.981 546 HG2 LYS 71 2HG LYS 71 20.824 -8.027 0.599 547 HG3 LYS 71 1HG LYS 71 22.408 -7.535 -0.005 548 HD2 LYS 71 2HD LYS 71 20.205 -7.353 -1.949 549 HD3 LYS 71 1HD LYS 71 20.091 -6.252 -0.575 550 HE2 LYS 71 2HE LYS 71 22.700 -5.968 -1.246 551 HE3 LYS 71 1HE LYS 71 21.986 -6.288 -2.825 552 HZ1 LYS 71 3HZ LYS 71 20.285 -4.502 -2.055 553 HZ2 LYS 71 1HZ LYS 71 21.787 -4.025 -2.674 554 HZ3 LYS 71 2HZ LYS 71 21.524 -4.032 -1.003 555 H ARG 72 H ARG 72 18.812 -10.146 -3.238 556 HA ARG 72 HA ARG 72 20.363 -12.382 -4.361 557 HB2 ARG 72 2HB ARG 72 18.236 -13.293 -5.270 558 HB3 ARG 72 1HB ARG 72 18.309 -13.312 -3.513 559 HG2 ARG 72 2HG ARG 72 16.220 -12.489 -3.747 560 HG3 ARG 72 1HG ARG 72 17.102 -10.963 -3.838 561 HD2 ARG 72 2HD ARG 72 16.939 -10.891 -6.187 562 HD3 ARG 72 1HD ARG 72 16.442 -12.580 -6.282 563 HE ARG 72 HE ARG 72 14.566 -11.097 -4.779 564 HH11 ARG 72 1HH1 ARG 72 15.653 -11.587 -8.059 565 HH12 ARG 72 2HH1 ARG 72 14.123 -11.178 -8.759 566 HH21 ARG 72 1HH2 ARG 72 12.553 -10.559 -5.698 567 HH22 ARG 72 2HH2 ARG 72 12.363 -10.595 -7.419 568 H LYS 73 H LYS 73 19.745 -12.688 -6.768 569 HA LYS 73 HA LYS 73 19.929 -10.046 -8.025 570 HB2 LYS 73 2HB LYS 73 20.466 -12.696 -9.354 571 HB3 LYS 73 1HB LYS 73 20.997 -11.100 -9.865 572 HG2 LYS 73 2HG LYS 73 21.901 -12.267 -7.261 573 HG3 LYS 73 1HG LYS 73 22.704 -12.673 -8.779 574 HD2 LYS 73 2HD LYS 73 22.570 -9.965 -8.958 575 HD3 LYS 73 1HD LYS 73 22.754 -10.184 -7.217 576 HE2 LYS 73 2HE LYS 73 24.542 -11.478 -9.267 577 HE3 LYS 73 1HE LYS 73 24.900 -9.934 -8.493 578 HZ1 LYS 73 3HZ LYS 73 26.033 -11.607 -7.291 579 HZ2 LYS 73 1HZ LYS 73 24.658 -12.589 -7.193 580 HZ3 LYS 73 2HZ LYS 73 24.725 -11.137 -6.327 581 H ASP 74 H ASP 74 19.165 -10.571 -10.579 582 HA ASP 74 HA ASP 74 16.394 -11.532 -10.379 583 HB2 ASP 74 2HB ASP 74 16.793 -8.929 -10.352 584 HB3 ASP 74 1HB ASP 74 17.009 -9.152 -12.084 585 H ASN 75 H ASN 75 18.926 -12.654 -11.497 586 HA ASN 75 HA ASN 75 19.412 -14.057 -13.232 587 HB2 ASN 75 2HB ASN 75 16.804 -14.161 -13.368 588 HB3 ASN 75 1HB ASN 75 17.022 -13.139 -14.786 589 HD21 ASN 75 1HD2 ASN 75 18.474 -13.954 -16.465 590 HD22 ASN 75 2HD2 ASN 75 18.539 -15.657 -16.748 591 H GLU 76 H GLU 76 19.331 -10.782 -13.333 592 HA GLU 76 HA GLU 76 20.348 -10.610 -16.077 593 HB2 GLU 76 2HB GLU 76 19.936 -8.154 -14.468 594 HB3 GLU 76 1HB GLU 76 19.623 -8.443 -16.173 595 HG2 GLU 76 2HG GLU 76 17.605 -9.683 -15.598 596 HG3 GLU 76 1HG GLU 76 17.929 -9.417 -13.885 597 H GLY 77 H GLY 77 21.167 -10.192 -12.742 598 HA2 GLY 77 2HA GLY 77 23.533 -10.587 -12.182 599 HA3 GLY 77 1HA GLY 77 23.940 -9.555 -13.544 600 H ASN 78 H ASN 78 21.292 -8.728 -11.449 601 HA ASN 78 HA ASN 78 22.955 -6.631 -10.218 602 HB2 ASN 78 2HB ASN 78 20.292 -6.461 -11.551 603 HB3 ASN 78 1HB ASN 78 20.595 -5.416 -10.168 604 HD21 ASN 78 1HD2 ASN 78 20.746 -5.607 -13.431 605 HD22 ASN 78 2HD2 ASN 78 21.940 -4.385 -13.742 606 H GLU 79 H GLU 79 23.101 -6.871 -8.097 607 HA GLU 79 HA GLU 79 21.564 -8.702 -6.611 608 HB2 GLU 79 2HB GLU 79 22.599 -7.499 -4.618 609 HB3 GLU 79 1HB GLU 79 23.714 -8.209 -5.777 610 HG2 GLU 79 2HG GLU 79 24.314 -6.131 -6.652 611 HG3 GLU 79 1HG GLU 79 22.910 -5.329 -5.947 612 H VAL 80 H VAL 80 19.383 -8.110 -7.119 613 HA VAL 80 HA VAL 80 18.371 -5.565 -6.197 614 HB VAL 80 HB VAL 80 16.196 -6.334 -6.960 615 HG11 VAL 80 1HG1 VAL 80 18.577 -6.564 -8.701 616 HG12 VAL 80 2HG1 VAL 80 17.194 -5.474 -8.804 617 HG13 VAL 80 3HG1 VAL 80 17.045 -7.142 -9.356 618 HG21 VAL 80 3HG2 VAL 80 15.839 -8.531 -6.544 619 HG22 VAL 80 1HG2 VAL 80 17.515 -8.977 -6.865 620 HG23 VAL 80 2HG2 VAL 80 16.403 -8.703 -8.205 621 H VAL 81 H VAL 81 16.018 -6.012 -5.035 622 HA VAL 81 HA VAL 81 16.696 -7.505 -2.586 623 HB VAL 81 HB VAL 81 14.792 -5.170 -2.756 624 HG11 VAL 81 1HG1 VAL 81 14.479 -6.737 -0.878 625 HG12 VAL 81 2HG1 VAL 81 14.984 -5.134 -0.344 626 HG13 VAL 81 3HG1 VAL 81 16.151 -6.456 -0.390 627 HG21 VAL 81 3HG2 VAL 81 17.043 -4.434 -3.368 628 HG22 VAL 81 1HG2 VAL 81 17.685 -5.159 -1.895 629 HG23 VAL 81 2HG2 VAL 81 16.567 -3.798 -1.794 630 HA PRO 82 HA PRO 82 13.335 -10.281 -3.362 631 HB2 PRO 82 2HB PRO 82 12.889 -10.056 -0.423 632 HB3 PRO 82 1HB PRO 82 13.073 -11.500 -1.426 633 HG2 PRO 82 2HG PRO 82 15.067 -10.669 0.128 634 HG3 PRO 82 1HG PRO 82 15.386 -11.324 -1.489 635 HD2 PRO 82 2HD PRO 82 15.420 -8.493 -0.547 636 HD3 PRO 82 1HD PRO 82 16.446 -9.296 -1.753 637 H LYS 83 H LYS 83 11.325 -9.876 -4.026 638 HA LYS 83 HA LYS 83 10.036 -7.440 -3.706 639 HB2 LYS 83 2HB LYS 83 9.249 -10.125 -4.695 640 HB3 LYS 83 1HB LYS 83 7.943 -9.015 -4.299 641 HG2 LYS 83 2HG LYS 83 8.204 -8.369 -6.432 642 HG3 LYS 83 1HG LYS 83 9.513 -7.391 -5.763 643 HD2 LYS 83 2HD LYS 83 10.788 -9.750 -6.176 644 HD3 LYS 83 1HD LYS 83 9.617 -9.766 -7.496 645 HE2 LYS 83 2HE LYS 83 11.443 -8.692 -8.440 646 HE3 LYS 83 1HE LYS 83 10.420 -7.350 -7.930 647 HZ1 LYS 83 3HZ LYS 83 12.332 -6.643 -7.012 648 HZ2 LYS 83 1HZ LYS 83 13.012 -8.190 -6.925 649 HZ3 LYS 83 2HZ LYS 83 11.901 -7.687 -5.752 650 HA PRO 84 HA PRO 84 8.470 -7.954 0.464 651 HB2 PRO 84 2HB PRO 84 7.287 -5.562 0.698 652 HB3 PRO 84 1HB PRO 84 9.046 -5.740 0.736 653 HG2 PRO 84 2HG PRO 84 7.274 -4.936 -1.537 654 HG3 PRO 84 1HG PRO 84 8.800 -4.210 -1.003 655 HD2 PRO 84 2HD PRO 84 8.645 -5.933 -3.093 656 HD3 PRO 84 1HD PRO 84 10.075 -5.819 -2.046 657 H GLN 85 H GLN 85 6.218 -7.288 1.506 658 HA GLN 85 HA GLN 85 4.221 -8.744 0.019 659 HB2 GLN 85 2HB GLN 85 3.978 -7.337 2.686 660 HB3 GLN 85 1HB GLN 85 2.843 -8.501 2.017 661 HG2 GLN 85 2HG GLN 85 5.657 -9.366 2.330 662 HG3 GLN 85 1HG GLN 85 4.694 -9.165 3.794 663 HE21 GLN 85 1HE2 GLN 85 4.556 -10.650 0.579 664 HE22 GLN 85 2HE2 GLN 85 3.689 -12.067 1.081 665 H ARG 86 H ARG 86 3.003 -7.798 -1.472 666 HA ARG 86 HA ARG 86 2.427 -4.927 -1.209 667 HB2 ARG 86 2HB ARG 86 2.058 -6.569 -3.705 668 HB3 ARG 86 1HB ARG 86 2.187 -4.821 -3.560 669 HG2 ARG 86 2HG ARG 86 4.518 -4.974 -3.035 670 HG3 ARG 86 1HG ARG 86 4.428 -6.734 -2.948 671 HD2 ARG 86 2HD ARG 86 4.437 -6.980 -5.200 672 HD3 ARG 86 1HD ARG 86 3.513 -5.504 -5.470 673 HE ARG 86 HE ARG 86 5.911 -4.578 -4.640 674 HH11 ARG 86 1HH1 ARG 86 4.964 -6.840 -7.123 675 HH12 ARG 86 2HH1 ARG 86 6.309 -6.469 -8.149 676 HH21 ARG 86 1HH2 ARG 86 7.680 -4.088 -5.989 677 HH22 ARG 86 2HH2 ARG 86 7.852 -4.908 -7.505 678 H HIS 87 H HIS 87 0.492 -4.423 -0.470 679 HA HIS 87 HA HIS 87 -1.714 -6.319 -0.721 680 HB2 HIS 87 2HB HIS 87 -1.748 -3.674 0.734 681 HB3 HIS 87 1HB HIS 87 -2.834 -5.041 0.956 682 HD1 HIS 87 1HD HIS 87 -1.265 -7.341 1.665 683 HD2 HIS 87 2HD HIS 87 -0.003 -3.542 2.777 684 HE1 HIS 87 1HE HIS 87 0.315 -7.695 3.589 685 HE2 HIS 87 2HE HIS 87 1.135 -5.388 4.188 686 H MET 88 H MET 88 -2.881 -6.180 -2.525 687 HA MET 88 HA MET 88 -3.039 -3.682 -3.984 688 HB2 MET 88 2HB MET 88 -2.672 -5.814 -5.169 689 HB3 MET 88 1HB MET 88 -4.244 -6.378 -4.619 690 HG2 MET 88 2HG MET 88 -5.156 -5.498 -6.425 691 HG3 MET 88 1HG MET 88 -4.694 -3.898 -5.848 692 HE1 MET 88 3HE MET 88 -2.231 -2.584 -7.998 693 HE2 MET 88 1HE MET 88 -3.566 -2.449 -6.855 694 HE3 MET 88 2HE MET 88 -3.896 -2.693 -8.569 695 H PHE 89 H PHE 89 -4.466 -2.220 -3.353 696 HA PHE 89 HA PHE 89 -7.112 -3.112 -2.427 697 HB2 PHE 89 2HB PHE 89 -5.635 -0.508 -1.983 698 HB3 PHE 89 1HB PHE 89 -7.301 -0.790 -1.491 699 HD1 PHE 89 1HD PHE 89 -7.591 -3.054 -0.079 700 HD2 PHE 89 2HD PHE 89 -4.025 -0.750 -0.378 701 HE1 PHE 89 1HE PHE 89 -6.802 -4.005 2.049 702 HE2 PHE 89 2HE PHE 89 -3.230 -1.697 1.749 703 HZ PHE 89 HZ PHE 89 -4.618 -3.327 2.965 704 H SER 90 H SER 90 -8.925 -1.573 -3.046 705 HA SER 90 HA SER 90 -8.475 -0.375 -5.685 706 HB2 SER 90 2HB SER 90 -10.980 -1.417 -5.998 707 HB3 SER 90 1HB SER 90 -9.503 -2.178 -6.589 708 HG SER 90 HG SER 90 -9.936 -3.754 -5.289 709 H PHE 91 H PHE 91 -9.505 1.504 -6.025 710 HA PHE 91 HA PHE 91 -11.453 2.369 -3.990 711 HB2 PHE 91 2HB PHE 91 -9.275 3.922 -5.380 712 HB3 PHE 91 1HB PHE 91 -10.619 4.715 -4.562 713 HD1 PHE 91 1HD PHE 91 -8.278 1.902 -3.800 714 HD2 PHE 91 2HD PHE 91 -10.103 5.511 -2.484 715 HE1 PHE 91 1HE PHE 91 -7.079 1.721 -1.659 716 HE2 PHE 91 2HE PHE 91 -8.909 5.344 -0.344 717 HZ PHE 91 HZ PHE 91 -7.395 3.447 0.077 718 H ASN 92 H ASN 92 -12.966 4.098 -4.783 719 HA ASN 92 HA ASN 92 -13.742 3.497 -7.555 720 HB2 ASN 92 2HB ASN 92 -15.293 3.891 -5.059 721 HB3 ASN 92 1HB ASN 92 -16.009 4.512 -6.544 722 HD21 ASN 92 1HD2 ASN 92 -14.078 1.629 -5.804 723 HD22 ASN 92 2HD2 ASN 92 -15.219 0.495 -6.435 724 H ASN 93 H ASN 93 -12.957 6.036 -5.346 725 HA ASN 93 HA ASN 93 -13.596 8.016 -7.433 726 HB2 ASN 93 2HB ASN 93 -14.229 7.974 -4.637 727 HB3 ASN 93 1HB ASN 93 -13.172 9.345 -4.964 728 HD21 ASN 93 1HD2 ASN 93 -16.273 8.501 -4.698 729 HD22 ASN 93 2HD2 ASN 93 -17.006 9.651 -5.771 730 H ARG 94 H ARG 94 -12.164 9.931 -7.474 731 HA ARG 94 HA ARG 94 -9.397 9.069 -7.394 732 HB2 ARG 94 2HB ARG 94 -8.931 11.134 -8.610 733 HB3 ARG 94 1HB ARG 94 -10.247 10.250 -9.368 734 HG2 ARG 94 2HG ARG 94 -11.699 11.834 -7.811 735 HG3 ARG 94 1HG ARG 94 -10.268 12.855 -7.962 736 HD2 ARG 94 2HD ARG 94 -10.597 13.224 -10.180 737 HD3 ARG 94 1HD ARG 94 -11.317 11.638 -10.447 738 HE ARG 94 HE ARG 94 -12.963 13.406 -8.889 739 HH11 ARG 94 1HH1 ARG 94 -12.087 12.415 -12.119 740 HH12 ARG 94 2HH1 ARG 94 -13.579 12.946 -12.821 741 HH21 ARG 94 1HH2 ARG 94 -14.925 14.104 -9.810 742 HH22 ARG 94 2HH2 ARG 94 -15.190 13.905 -11.510 743 H THR 95 H THR 95 -11.455 11.495 -5.865 744 HA THR 95 HA THR 95 -9.349 12.750 -4.426 745 HB THR 95 HB THR 95 -12.218 13.026 -4.695 746 HG1 THR 95 1HG THR 95 -11.671 15.111 -4.748 747 HG21 THR 95 3HG2 THR 95 -12.505 12.583 -2.418 748 HG22 THR 95 1HG2 THR 95 -12.421 14.340 -2.542 749 HG23 THR 95 2HG2 THR 95 -11.018 13.426 -1.987 750 H VAL 96 H VAL 96 -11.668 10.201 -3.688 751 HA VAL 96 HA VAL 96 -11.109 9.966 -0.943 752 HB VAL 96 HB VAL 96 -13.074 8.924 -1.963 753 HG11 VAL 96 1HG1 VAL 96 -12.978 7.071 -3.417 754 HG12 VAL 96 2HG1 VAL 96 -11.254 6.842 -3.139 755 HG13 VAL 96 3HG1 VAL 96 -11.820 8.236 -4.055 756 HG21 VAL 96 3HG2 VAL 96 -12.409 8.030 0.148 757 HG22 VAL 96 1HG2 VAL 96 -11.169 7.025 -0.603 758 HG23 VAL 96 2HG2 VAL 96 -12.875 6.674 -0.880 759 H MET 97 H MET 97 -9.696 8.352 -3.770 760 HA MET 97 HA MET 97 -7.967 6.659 -2.322 761 HB2 MET 97 2HB MET 97 -6.745 6.418 -4.456 762 HB3 MET 97 1HB MET 97 -8.479 6.202 -4.645 763 HG2 MET 97 2HG MET 97 -8.733 8.296 -5.677 764 HG3 MET 97 1HG MET 97 -7.126 8.822 -5.182 765 HE1 MET 97 3HE MET 97 -5.495 8.938 -8.007 766 HE2 MET 97 1HE MET 97 -4.672 7.592 -7.218 767 HE3 MET 97 2HE MET 97 -5.384 8.881 -6.247 768 H ASP 98 H ASP 98 -7.690 9.914 -3.504 769 HA ASP 98 HA ASP 98 -4.917 10.249 -3.043 770 HB2 ASP 98 2HB ASP 98 -7.227 12.065 -3.546 771 HB3 ASP 98 1HB ASP 98 -5.762 12.770 -2.872 772 H ASN 99 H ASN 99 -7.725 10.408 -0.994 773 HA ASN 99 HA ASN 99 -6.579 11.883 1.135 774 HB2 ASN 99 2HB ASN 99 -8.975 10.151 0.780 775 HB3 ASN 99 1HB ASN 99 -8.430 10.450 2.428 776 HD21 ASN 99 1HD2 ASN 99 -9.981 11.731 -0.337 777 HD22 ASN 99 2HD2 ASN 99 -10.350 13.297 0.318 778 H ILE 100 H ILE 100 -6.477 8.523 0.204 779 HA ILE 100 HA ILE 100 -5.328 7.655 2.715 780 HB ILE 100 HB ILE 100 -5.565 6.127 0.118 781 HG12 ILE 100 2HG1 ILE 100 -7.756 6.918 0.987 782 HG13 ILE 100 1HG1 ILE 100 -7.597 5.165 1.009 783 HG21 ILE 100 1HG2 ILE 100 -3.937 5.371 1.963 784 HG22 ILE 100 2HG2 ILE 100 -5.068 4.188 1.307 785 HG23 ILE 100 3HG2 ILE 100 -5.389 4.945 2.867 786 HD11 ILE 100 3HD1 ILE 100 -8.611 5.710 3.032 787 HD12 ILE 100 1HD1 ILE 100 -7.527 7.072 3.313 788 HD13 ILE 100 2HD1 ILE 100 -6.921 5.420 3.442 789 H LYS 101 H LYS 101 -4.229 7.898 -0.667 790 HA LYS 101 HA LYS 101 -1.604 7.088 -0.290 791 HB2 LYS 101 2HB LYS 101 -1.117 8.057 -2.405 792 HB3 LYS 101 1HB LYS 101 -2.778 7.488 -2.485 793 HG2 LYS 101 2HG LYS 101 -3.117 9.514 -3.398 794 HG3 LYS 101 1HG LYS 101 -3.220 10.010 -1.710 795 HD2 LYS 101 2HD LYS 101 -0.675 10.373 -1.884 796 HD3 LYS 101 1HD LYS 101 -0.937 10.319 -3.629 797 HE2 LYS 101 2HE LYS 101 -2.770 12.067 -2.131 798 HE3 LYS 101 1HE LYS 101 -1.080 12.570 -2.129 799 HZ1 LYS 101 3HZ LYS 101 -2.174 13.566 -3.982 800 HZ2 LYS 101 1HZ LYS 101 -2.787 12.080 -4.507 801 HZ3 LYS 101 2HZ LYS 101 -1.125 12.382 -4.582 802 H MET 102 H MET 102 -3.074 10.231 0.266 803 HA MET 102 HA MET 102 -0.534 11.507 0.753 804 HB2 MET 102 2HB MET 102 -1.782 13.513 1.138 805 HB3 MET 102 1HB MET 102 -2.473 12.705 -0.261 806 HG2 MET 102 2HG MET 102 -4.143 11.698 1.417 807 HG3 MET 102 1HG MET 102 -3.589 12.975 2.498 808 HE1 MET 102 3HE MET 102 -4.051 15.084 2.542 809 HE2 MET 102 1HE MET 102 -5.813 15.015 2.488 810 HE3 MET 102 2HE MET 102 -4.940 16.104 1.411 811 H THR 103 H THR 103 -3.222 10.320 2.644 812 HA THR 103 HA THR 103 -2.233 11.285 5.140 813 HB THR 103 HB THR 103 -4.315 9.191 4.494 814 HG1 THR 103 1HG THR 103 -5.675 10.803 4.514 815 HG21 THR 103 3HG2 THR 103 -3.114 9.725 7.010 816 HG22 THR 103 1HG2 THR 103 -4.458 8.648 6.628 817 HG23 THR 103 2HG2 THR 103 -4.767 10.338 7.031 818 H LEU 104 H LEU 104 -2.146 8.115 3.534 819 HA LEU 104 HA LEU 104 -0.916 6.725 5.634 820 HB2 LEU 104 2HB LEU 104 -1.244 6.311 2.722 821 HB3 LEU 104 1HB LEU 104 0.074 5.435 3.478 822 HG LEU 104 HG LEU 104 -1.494 4.391 5.042 823 HD11 LEU 104 1HD1 LEU 104 -3.993 4.698 4.245 824 HD12 LEU 104 2HD1 LEU 104 -3.389 6.280 3.759 825 HD13 LEU 104 3HD1 LEU 104 -3.263 5.767 5.440 826 HD21 LEU 104 3HD2 LEU 104 -2.393 4.125 2.175 827 HD22 LEU 104 1HD2 LEU 104 -2.628 2.943 3.463 828 HD23 LEU 104 2HD2 LEU 104 -1.002 3.310 2.889 829 H GLN 105 H GLN 105 0.554 8.188 2.731 830 HA GLN 105 HA GLN 105 3.223 7.776 3.354 831 HB2 GLN 105 2HB GLN 105 3.735 9.617 1.861 832 HB3 GLN 105 1HB GLN 105 2.416 8.664 1.193 833 HG2 GLN 105 2HG GLN 105 0.813 10.322 1.962 834 HG3 GLN 105 1HG GLN 105 2.119 11.269 2.671 835 HE21 GLN 105 1HE2 GLN 105 1.413 9.700 -0.438 836 HE22 GLN 105 2HE2 GLN 105 1.863 11.061 -1.419 837 H GLN 106 H GLN 106 0.968 10.090 4.647 838 HA GLN 106 HA GLN 106 2.826 11.847 5.843 839 HB2 GLN 106 2HB GLN 106 -0.043 11.425 5.906 840 HB3 GLN 106 1HB GLN 106 0.574 11.808 7.507 841 HG2 GLN 106 2HG GLN 106 0.814 13.449 5.002 842 HG3 GLN 106 1HG GLN 106 -0.078 13.840 6.471 843 HE21 GLN 106 1HE2 GLN 106 2.987 13.800 4.906 844 HE22 GLN 106 2HE2 GLN 106 3.874 14.638 6.141 845 H ILE 107 H ILE 107 1.478 8.792 6.753 846 HA ILE 107 HA ILE 107 2.591 8.831 9.428 847 HB ILE 107 HB ILE 107 1.156 6.695 7.845 848 HG12 ILE 107 2HG1 ILE 107 -0.005 7.526 10.378 849 HG13 ILE 107 1HG1 ILE 107 0.215 8.891 9.286 850 HG21 ILE 107 1HG2 ILE 107 2.190 6.548 10.672 851 HG22 ILE 107 2HG2 ILE 107 2.757 5.607 9.292 852 HG23 ILE 107 3HG2 ILE 107 1.124 5.366 9.911 853 HD11 ILE 107 3HD1 ILE 107 -1.064 7.743 7.572 854 HD12 ILE 107 1HD1 ILE 107 -1.994 7.886 9.064 855 HD13 ILE 107 2HD1 ILE 107 -1.252 6.346 8.632 856 H ILE 108 H ILE 108 3.289 7.534 6.269 857 HA ILE 108 HA ILE 108 5.320 5.704 6.901 858 HB ILE 108 HB ILE 108 5.147 7.426 4.425 859 HG12 ILE 108 2HG1 ILE 108 3.762 4.835 5.111 860 HG13 ILE 108 1HG1 ILE 108 3.019 6.387 4.754 861 HG21 ILE 108 1HG2 ILE 108 6.295 4.666 4.750 862 HG22 ILE 108 2HG2 ILE 108 7.248 6.150 4.768 863 HG23 ILE 108 3HG2 ILE 108 6.351 5.695 3.319 864 HD11 ILE 108 3HD1 ILE 108 3.515 4.309 2.979 865 HD12 ILE 108 1HD1 ILE 108 4.695 5.557 2.577 866 HD13 ILE 108 2HD1 ILE 108 2.975 5.943 2.594 867 H SER 109 H SER 109 5.526 9.066 5.808 868 HA SER 109 HA SER 109 8.262 9.427 5.964 869 HB2 SER 109 2HB SER 109 5.924 11.272 6.200 870 HB3 SER 109 1HB SER 109 7.530 11.894 6.575 871 HG SER 109 HG SER 109 7.223 12.222 4.417 872 H ARG 110 H ARG 110 5.958 9.197 8.520 873 HA ARG 110 HA ARG 110 7.295 10.493 10.595 874 HB2 ARG 110 2HB ARG 110 5.564 9.747 11.812 875 HB3 ARG 110 1HB ARG 110 4.976 9.017 10.328 876 HG2 ARG 110 2HG ARG 110 6.053 6.917 10.910 877 HG3 ARG 110 1HG ARG 110 6.690 7.643 12.386 878 HD2 ARG 110 2HD ARG 110 3.823 7.066 11.679 879 HD3 ARG 110 1HD ARG 110 4.765 6.420 13.022 880 HE ARG 110 HE ARG 110 4.766 9.075 13.508 881 HH11 ARG 110 1HH1 ARG 110 2.216 6.792 12.824 882 HH12 ARG 110 2HH1 ARG 110 1.030 7.650 13.748 883 HH21 ARG 110 1HH2 ARG 110 3.207 10.204 14.724 884 HH22 ARG 110 2HH2 ARG 110 1.592 9.587 14.827 885 H TYR 111 H TYR 111 7.475 7.122 9.542 886 HA TYR 111 HA TYR 111 9.486 6.394 11.434 887 HB2 TYR 111 2HB TYR 111 9.106 4.879 8.880 888 HB3 TYR 111 1HB TYR 111 9.416 4.271 10.502 889 HD1 TYR 111 2HD TYR 111 7.459 4.715 12.230 890 HD2 TYR 111 1HD TYR 111 6.987 4.648 8.002 891 HE1 TYR 111 2HE TYR 111 5.062 4.246 12.510 892 HE2 TYR 111 1HE TYR 111 4.587 4.178 8.271 893 HH TYR 111 HH TYR 111 3.220 3.001 10.808 894 H LYS 112 H LYS 112 9.482 7.806 8.273 895 HA LYS 112 HA LYS 112 12.008 7.145 7.348 896 HB2 LYS 112 2HB LYS 112 10.053 8.552 6.290 897 HB3 LYS 112 1HB LYS 112 10.958 9.914 6.938 898 HG2 LYS 112 2HG LYS 112 12.502 9.788 5.340 899 HG3 LYS 112 1HG LYS 112 12.633 8.034 5.480 900 HD2 LYS 112 2HD LYS 112 11.850 8.673 3.260 901 HD3 LYS 112 1HD LYS 112 10.603 7.779 4.132 902 HE2 LYS 112 2HE LYS 112 9.406 9.533 3.214 903 HE3 LYS 112 1HE LYS 112 9.763 10.126 4.836 904 HZ1 LYS 112 3HZ LYS 112 10.743 11.056 2.263 905 HZ2 LYS 112 1HZ LYS 112 11.880 11.029 3.517 906 HZ3 LYS 112 2HZ LYS 112 10.452 11.919 3.689 907 H ASP 113 H ASP 113 11.192 10.262 8.878 908 HA ASP 113 HA ASP 113 13.843 11.030 9.346 909 HB2 ASP 113 2HB ASP 113 11.458 11.879 10.995 910 HB3 ASP 113 1HB ASP 113 12.947 12.778 10.725 911 H ALA 114 H ALA 114 11.647 9.050 11.204 912 HA ALA 114 HA ALA 114 13.086 9.101 13.647 913 HB1 ALA 114 1HB ALA 114 11.055 7.191 12.521 914 HB2 ALA 114 2HB ALA 114 10.823 8.433 13.750 915 HB3 ALA 114 3HB ALA 114 11.770 6.992 14.121 916 H ASP 115 H ASP 115 13.107 6.904 10.869 917 HA ASP 115 HA ASP 115 15.220 5.303 12.065 918 HB2 ASP 115 2HB ASP 115 13.408 5.032 9.723 919 HB3 ASP 115 1HB ASP 115 14.975 4.236 9.620 920 H TYR 90 1HT TYR 90 1.412 -4.999 -17.983 921 HA TYR 90 HA TYR 90 1.007 -2.381 -19.228 922 HB2 TYR 90 2HB TYR 90 -0.533 -4.853 -18.661 923 HB3 TYR 90 1HB TYR 90 -1.405 -3.334 -18.476 924 HD1 TYR 90 1HD TYR 90 -1.533 -1.763 -20.444 925 HD2 TYR 90 2HD TYR 90 -0.089 -5.749 -20.799 926 HE1 TYR 90 1HE TYR 90 -1.895 -1.672 -22.874 927 HE2 TYR 90 2HE TYR 90 -0.447 -5.669 -23.230 928 HH TYR 90 HH TYR 90 -1.133 -2.755 -24.893 929 H ASP 91 H ASP 91 -0.059 -4.193 -16.343 930 HA ASP 91 HA ASP 91 -0.884 -1.944 -14.894 931 HB2 ASP 91 2HB ASP 91 -0.691 -3.471 -12.891 932 HB3 ASP 91 1HB ASP 91 -1.670 -4.094 -14.216 933 H SER 92 H SER 92 2.250 -3.449 -15.243 934 HA SER 92 HA SER 92 3.514 -2.170 -13.051 935 HB2 SER 92 2HB SER 92 4.246 -4.173 -14.706 936 HB3 SER 92 1HB SER 92 5.158 -2.845 -15.423 937 HG SER 92 HG SER 92 5.385 -4.006 -12.887 938 H GLU 93 H GLU 93 2.970 -1.272 -16.399 939 HA GLU 93 HA GLU 93 4.372 1.272 -15.920 940 HB2 GLU 93 2HB GLU 93 3.849 -0.327 -18.402 941 HB3 GLU 93 1HB GLU 93 4.139 1.404 -18.516 942 HG2 GLU 93 2HG GLU 93 6.090 -0.025 -16.876 943 HG3 GLU 93 1HG GLU 93 6.058 -0.524 -18.566 944 H GLU 94 H GLU 94 1.644 0.608 -15.046 945 HA GLU 94 HA GLU 94 0.173 2.638 -16.595 946 HB2 GLU 94 2HB GLU 94 -0.807 0.406 -16.866 947 HB3 GLU 94 1HB GLU 94 -0.949 0.249 -15.121 948 HG2 GLU 94 2HG GLU 94 -3.087 0.829 -15.821 949 HG3 GLU 94 1HG GLU 94 -2.404 2.340 -15.223 950 H PHE 95 H PHE 95 0.718 1.235 -13.395 951 HA PHE 95 HA PHE 95 -0.589 3.522 -12.132 952 HB2 PHE 95 2HB PHE 95 0.699 1.268 -10.621 953 HB3 PHE 95 1HB PHE 95 -0.671 2.270 -10.159 954 HD1 PHE 95 1HD PHE 95 -2.374 2.058 -12.553 955 HD2 PHE 95 2HD PHE 95 -0.102 -0.902 -10.507 956 HE1 PHE 95 1HE PHE 95 -3.917 0.321 -13.362 957 HE2 PHE 95 2HE PHE 95 -1.640 -2.645 -11.313 958 HZ PHE 95 HZ PHE 95 -3.550 -2.035 -12.743 959 H GLU 96 H GLU 96 0.458 4.967 -10.784 960 HA GLU 96 HA GLU 96 3.342 5.153 -11.199 961 HB2 GLU 96 2HB GLU 96 3.137 7.442 -10.420 962 HB3 GLU 96 1HB GLU 96 1.935 7.128 -11.663 963 HG2 GLU 96 2HG GLU 96 0.720 8.293 -10.102 964 HG3 GLU 96 1HG GLU 96 0.367 6.622 -9.664 965 H ASP 97 H ASP 97 4.822 5.432 -9.497 966 HA ASP 97 HA ASP 97 3.974 4.155 -7.009 967 HB2 ASP 97 2HB ASP 97 6.613 4.553 -8.369 968 HB3 ASP 97 1HB ASP 97 6.568 4.239 -6.636 969 H VAL 98 H VAL 98 4.454 5.014 -4.967 970 HA VAL 98 HA VAL 98 4.625 7.943 -4.929 971 HB VAL 98 HB VAL 98 3.836 6.082 -2.683 972 HG11 VAL 98 1HG1 VAL 98 2.689 8.309 -1.953 973 HG12 VAL 98 2HG1 VAL 98 3.895 9.051 -3.003 974 HG13 VAL 98 3HG1 VAL 98 4.407 8.058 -1.637 975 HG21 VAL 98 3HG2 VAL 98 1.506 7.011 -3.239 976 HG22 VAL 98 1HG2 VAL 98 2.165 5.748 -4.278 977 HG23 VAL 98 2HG2 VAL 98 2.200 7.430 -4.804 978 H THR 99 H THR 99 5.852 8.918 -3.083 979 HA THR 99 HA THR 99 8.522 8.362 -3.150 980 HB THR 99 HB THR 99 7.513 10.406 -2.177 981 HG1 THR 99 1HG THR 99 9.564 10.351 -1.610 982 HG21 THR 99 3HG2 THR 99 6.461 8.516 -0.232 983 HG22 THR 99 1HG2 THR 99 5.942 10.155 -0.625 984 HG23 THR 99 2HG2 THR 99 7.277 9.901 0.499 985 H ASP 100 H ASP 100 10.000 7.236 -1.891 986 HA ASP 100 HA ASP 100 9.061 5.516 0.246 987 HB2 ASP 100 2HB ASP 100 9.891 3.454 -0.779 988 HB3 ASP 100 1HB ASP 100 8.629 4.174 -1.774 989 H GLY 101 H GLY 101 11.155 3.924 0.691 990 HA2 GLY 101 2HA GLY 101 13.464 3.824 1.096 991 HA3 GLY 101 1HA GLY 101 13.622 5.460 0.477 992 H ASN 102 H ASN 102 15.003 4.884 2.690 993 HA ASN 102 HA ASN 102 13.617 6.473 4.716 994 HB2 ASN 102 2HB ASN 102 15.004 3.844 5.288 995 HB3 ASN 102 1HB ASN 102 14.414 4.962 6.515 996 HD21 ASN 102 1HD2 ASN 102 13.711 2.143 5.698 997 HD22 ASN 102 2HD2 ASN 102 11.991 2.168 5.537 998 H GLU 103 H GLU 103 15.095 8.059 3.746 999 HA GLU 103 HA GLU 103 17.918 7.756 4.029 1000 HB2 GLU 103 2HB GLU 103 16.730 9.268 2.381 1001 HB3 GLU 103 1HB GLU 103 16.400 10.348 3.729 1002 HG2 GLU 103 2HG GLU 103 18.315 11.330 3.154 1003 HG3 GLU 103 1HG GLU 103 19.083 9.971 3.974 1004 H VAL 104 H VAL 104 19.307 8.720 5.519 1005 HA VAL 104 HA VAL 104 18.256 8.956 8.176 1006 HB VAL 104 HB VAL 104 21.060 9.593 7.260 1007 HG11 VAL 104 1HG1 VAL 104 20.432 8.436 9.916 1008 HG12 VAL 104 2HG1 VAL 104 20.020 10.129 9.647 1009 HG13 VAL 104 3HG1 VAL 104 21.685 9.584 9.446 1010 HG21 VAL 104 3HG2 VAL 104 21.437 7.179 8.138 1011 HG22 VAL 104 1HG2 VAL 104 20.817 7.418 6.503 1012 HG23 VAL 104 2HG2 VAL 104 19.716 6.977 7.809 Start of MODEL 11 1 H2 PRO 1 1HT PRO 1 -12.305 13.515 8.010 2 H3 PRO 1 2HT PRO 1 -12.457 12.549 9.334 3 HA PRO 1 HA PRO 1 -12.719 10.786 8.254 4 HB2 PRO 1 2HB PRO 1 -14.001 11.436 5.807 5 HB3 PRO 1 1HB PRO 1 -14.699 10.613 7.207 6 HG2 PRO 1 2HG PRO 1 -14.804 13.482 6.454 7 HG3 PRO 1 1HG PRO 1 -15.995 12.502 7.326 8 HD2 PRO 1 2HD PRO 1 -14.503 14.293 8.619 9 HD3 PRO 1 1HD PRO 1 -14.869 12.723 9.359 10 H SER 2 H SER 2 -10.526 12.533 8.042 11 HA SER 2 HA SER 2 -9.701 12.415 5.241 12 HB2 SER 2 2HB SER 2 -9.354 14.412 6.970 13 HB3 SER 2 1HB SER 2 -7.900 13.495 7.359 14 HG SER 2 HG SER 2 -8.492 14.983 5.141 15 H HIS 3 H HIS 3 -9.037 10.979 8.351 16 HA HIS 3 HA HIS 3 -6.776 9.479 7.257 17 HB2 HIS 3 2HB HIS 3 -7.763 10.082 10.010 18 HB3 HIS 3 1HB HIS 3 -6.820 8.616 9.762 19 HD1 HIS 3 1HD HIS 3 -6.442 12.279 8.763 20 HD2 HIS 3 2HD HIS 3 -4.206 9.085 10.201 21 HE1 HIS 3 1HE HIS 3 -4.111 13.174 9.068 22 HE2 HIS 3 2HE HIS 3 -2.796 11.246 10.017 23 H SER 4 H SER 4 -9.316 8.874 6.208 24 HA SER 4 HA SER 4 -9.342 6.092 6.363 25 HB2 SER 4 2HB SER 4 -11.525 5.752 7.562 26 HB3 SER 4 1HB SER 4 -10.202 6.275 8.603 27 HG SER 4 HG SER 4 -11.298 8.000 9.057 28 H GLY 5 H GLY 5 -10.438 5.279 4.665 29 HA2 GLY 5 2HA GLY 5 -12.670 6.771 3.519 30 HA3 GLY 5 1HA GLY 5 -11.253 6.559 2.498 31 H ALA 6 H ALA 6 -13.872 5.538 1.940 32 HA ALA 6 HA ALA 6 -13.990 2.775 2.620 33 HB1 ALA 6 1HB ALA 6 -15.472 4.532 0.714 34 HB2 ALA 6 2HB ALA 6 -16.065 3.642 2.117 35 HB3 ALA 6 3HB ALA 6 -15.663 2.780 0.632 36 H ALA 7 H ALA 7 -12.428 1.444 1.995 37 HA ALA 7 HA ALA 7 -11.493 1.595 -0.800 38 HB1 ALA 7 1HB ALA 7 -9.363 0.906 -0.140 39 HB2 ALA 7 2HB ALA 7 -9.940 0.286 1.406 40 HB3 ALA 7 3HB ALA 7 -9.844 2.027 1.135 41 H ILE 8 H ILE 8 -11.155 -0.360 -1.943 42 HA ILE 8 HA ILE 8 -12.814 -2.566 -0.963 43 HB ILE 8 HB ILE 8 -11.934 -1.784 -3.722 44 HG12 ILE 8 2HG1 ILE 8 -14.670 -2.457 -3.566 45 HG13 ILE 8 1HG1 ILE 8 -14.308 -1.499 -2.134 46 HG21 ILE 8 1HG2 ILE 8 -13.141 -4.414 -2.878 47 HG22 ILE 8 2HG2 ILE 8 -11.603 -4.156 -3.696 48 HG23 ILE 8 3HG2 ILE 8 -13.117 -3.821 -4.537 49 HD11 ILE 8 3HD1 ILE 8 -13.564 0.307 -3.407 50 HD12 ILE 8 1HD1 ILE 8 -15.073 -0.232 -4.141 51 HD13 ILE 8 2HD1 ILE 8 -13.530 -0.653 -4.886 52 H PHE 9 H PHE 9 -12.047 -4.641 -0.768 53 HA PHE 9 HA PHE 9 -9.130 -4.944 -1.019 54 HB2 PHE 9 2HB PHE 9 -10.173 -5.261 1.263 55 HB3 PHE 9 1HB PHE 9 -11.012 -6.665 0.610 56 HD1 PHE 9 1HD PHE 9 -7.525 -5.544 -0.013 57 HD2 PHE 9 2HD PHE 9 -10.075 -8.457 1.754 58 HE1 PHE 9 1HE PHE 9 -5.567 -6.944 0.492 59 HE2 PHE 9 2HE PHE 9 -8.121 -9.862 2.264 60 HZ PHE 9 HZ PHE 9 -5.864 -9.106 1.633 61 H GLU 10 H GLU 10 -8.720 -5.783 -2.968 62 HA GLU 10 HA GLU 10 -8.601 -7.316 -4.632 63 HB2 GLU 10 2HB GLU 10 -10.474 -9.037 -3.031 64 HB3 GLU 10 1HB GLU 10 -9.390 -9.555 -4.314 65 HG2 GLU 10 2HG GLU 10 -7.625 -8.448 -2.605 66 HG3 GLU 10 1HG GLU 10 -8.851 -9.019 -1.476 67 H LYS 11 H LYS 11 -11.887 -7.435 -3.373 68 HA LYS 11 HA LYS 11 -12.978 -6.215 -5.730 69 HB2 LYS 11 2HB LYS 11 -14.127 -8.918 -5.201 70 HB3 LYS 11 1HB LYS 11 -14.112 -7.981 -6.686 71 HG2 LYS 11 2HG LYS 11 -11.796 -8.526 -7.062 72 HG3 LYS 11 1HG LYS 11 -11.708 -9.355 -5.506 73 HD2 LYS 11 2HD LYS 11 -13.632 -10.809 -6.427 74 HD3 LYS 11 1HD LYS 11 -13.154 -10.172 -8.002 75 HE2 LYS 11 2HE LYS 11 -10.860 -10.988 -7.601 76 HE3 LYS 11 1HE LYS 11 -11.394 -11.679 -6.069 77 HZ1 LYS 11 3HZ LYS 11 -12.639 -13.286 -7.131 78 HZ2 LYS 11 1HZ LYS 11 -11.292 -13.167 -8.149 79 HZ3 LYS 11 2HZ LYS 11 -12.748 -12.420 -8.579 80 H VAL 12 H VAL 12 -13.170 -7.186 -2.484 81 HA VAL 12 HA VAL 12 -16.013 -6.558 -2.265 82 HB VAL 12 HB VAL 12 -15.186 -8.540 -1.061 83 HG11 VAL 12 1HG1 VAL 12 -13.729 -8.309 0.875 84 HG12 VAL 12 2HG1 VAL 12 -13.563 -6.583 0.556 85 HG13 VAL 12 3HG1 VAL 12 -12.920 -7.757 -0.591 86 HG21 VAL 12 3HG2 VAL 12 -15.827 -6.796 1.211 87 HG22 VAL 12 1HG2 VAL 12 -16.660 -8.230 0.606 88 HG23 VAL 12 2HG2 VAL 12 -16.933 -6.663 -0.158 89 H SER 13 H SER 13 -16.707 -4.624 -1.618 90 HA SER 13 HA SER 13 -14.756 -2.614 -0.976 91 HB2 SER 13 2HB SER 13 -16.849 -1.134 -0.829 92 HB3 SER 13 1HB SER 13 -16.455 -1.826 -2.402 93 HG SER 13 HG SER 13 -18.651 -2.198 -0.859 94 H GLY 14 H GLY 14 -14.487 -1.530 0.910 95 HA2 GLY 14 2HA GLY 14 -16.177 -2.201 3.197 96 HA3 GLY 14 1HA GLY 14 -14.475 -2.631 3.303 97 H ILE 15 H ILE 15 -13.728 -1.255 4.808 98 HA ILE 15 HA ILE 15 -13.798 1.594 4.133 99 HB ILE 15 HB ILE 15 -14.159 0.731 6.984 100 HG12 ILE 15 2HG1 ILE 15 -16.037 -0.125 5.503 101 HG13 ILE 15 1HG1 ILE 15 -16.520 0.924 6.831 102 HG21 ILE 15 1HG2 ILE 15 -13.453 2.937 6.926 103 HG22 ILE 15 2HG2 ILE 15 -15.212 3.094 6.995 104 HG23 ILE 15 3HG2 ILE 15 -14.370 3.294 5.456 105 HD11 ILE 15 3HD1 ILE 15 -17.590 1.258 4.529 106 HD12 ILE 15 1HD1 ILE 15 -16.063 2.024 4.089 107 HD13 ILE 15 2HD1 ILE 15 -17.030 2.683 5.408 108 H ILE 16 H ILE 16 -11.798 2.323 4.066 109 HA ILE 16 HA ILE 16 -9.725 0.901 5.562 110 HB ILE 16 HB ILE 16 -9.800 2.323 3.010 111 HG12 ILE 16 2HG1 ILE 16 -7.915 0.342 4.291 112 HG13 ILE 16 1HG1 ILE 16 -9.235 -0.021 3.187 113 HG21 ILE 16 1HG2 ILE 16 -8.574 4.030 4.290 114 HG22 ILE 16 2HG2 ILE 16 -7.586 3.259 3.050 115 HG23 ILE 16 3HG2 ILE 16 -7.386 2.803 4.743 116 HD11 ILE 16 3HD1 ILE 16 -7.864 0.163 1.469 117 HD12 ILE 16 1HD1 ILE 16 -6.535 0.505 2.576 118 HD13 ILE 16 2HD1 ILE 16 -7.497 1.829 1.917 119 H ALA 17 H ALA 17 -8.974 1.730 7.383 120 HA ALA 17 HA ALA 17 -9.046 4.635 7.764 121 HB1 ALA 17 1HB ALA 17 -10.222 4.563 9.778 122 HB2 ALA 17 2HB ALA 17 -10.008 2.820 9.949 123 HB3 ALA 17 3HB ALA 17 -11.110 3.458 8.721 124 H ILE 18 H ILE 18 -7.313 5.440 8.764 125 HA ILE 18 HA ILE 18 -5.186 3.614 9.503 126 HB ILE 18 HB ILE 18 -5.167 6.634 9.513 127 HG12 ILE 18 2HG1 ILE 18 -3.752 6.054 7.339 128 HG13 ILE 18 1HG1 ILE 18 -4.775 4.622 7.343 129 HG21 ILE 18 1HG2 ILE 18 -3.378 4.966 10.677 130 HG22 ILE 18 2HG2 ILE 18 -2.984 6.562 10.037 131 HG23 ILE 18 3HG2 ILE 18 -2.690 5.122 9.061 132 HD11 ILE 18 3HD1 ILE 18 -6.681 5.819 6.914 133 HD12 ILE 18 1HD1 ILE 18 -5.478 6.751 6.022 134 HD13 ILE 18 2HD1 ILE 18 -6.031 7.308 7.602 135 H ASN 19 H ASN 19 -4.777 2.979 11.504 136 HA ASN 19 HA ASN 19 -6.184 4.193 13.734 137 HB2 ASN 19 2HB ASN 19 -5.601 1.617 13.192 138 HB3 ASN 19 1HB ASN 19 -4.227 2.020 14.217 139 HD21 ASN 19 1HD2 ASN 19 -4.727 2.984 16.321 140 HD22 ASN 19 2HD2 ASN 19 -6.155 2.469 17.146 141 H GLU 20 H GLU 20 -5.220 6.153 14.123 142 HA GLU 20 HA GLU 20 -2.334 6.214 14.590 143 HB2 GLU 20 2HB GLU 20 -4.423 8.344 14.217 144 HB3 GLU 20 1HB GLU 20 -2.842 8.732 14.880 145 HG2 GLU 20 2HG GLU 20 -2.155 7.312 12.673 146 HG3 GLU 20 1HG GLU 20 -3.635 8.101 12.134 147 H ASP 21 H ASP 21 -4.336 4.947 16.415 148 HA ASP 21 HA ASP 21 -4.002 6.624 18.798 149 HB2 ASP 21 2HB ASP 21 -6.242 5.395 17.928 150 HB3 ASP 21 1HB ASP 21 -5.589 4.126 18.959 151 H VAL 22 H VAL 22 -2.561 4.048 17.224 152 HA VAL 22 HA VAL 22 -1.593 2.841 19.727 153 HB VAL 22 HB VAL 22 -0.825 0.965 18.393 154 HG11 VAL 22 1HG1 VAL 22 -3.645 1.868 18.209 155 HG12 VAL 22 2HG1 VAL 22 -2.956 0.454 19.005 156 HG13 VAL 22 3HG1 VAL 22 -3.172 0.463 17.255 157 HG21 VAL 22 3HG2 VAL 22 -1.540 0.936 15.927 158 HG22 VAL 22 1HG2 VAL 22 -0.114 1.880 16.361 159 HG23 VAL 22 2HG2 VAL 22 -1.655 2.691 16.078 160 H SER 23 H SER 23 0.804 1.858 19.146 161 HA SER 23 HA SER 23 2.477 4.150 19.114 162 HB2 SER 23 2HB SER 23 4.088 1.886 18.587 163 HB3 SER 23 1HB SER 23 3.829 2.685 20.138 164 HG SER 23 HG SER 23 3.221 0.282 19.690 165 HA PRO 24 HA PRO 24 3.644 3.041 14.685 166 HB2 PRO 24 2HB PRO 24 3.314 0.636 13.647 167 HB3 PRO 24 1HB PRO 24 4.556 0.895 14.879 168 HG2 PRO 24 2HG PRO 24 1.859 -0.362 15.140 169 HG3 PRO 24 1HG PRO 24 3.387 -0.816 15.914 170 HD2 PRO 24 2HD PRO 24 1.349 0.732 17.071 171 HD3 PRO 24 1HD PRO 24 3.013 0.578 17.664 172 H ALA 25 H ALA 25 2.166 4.335 13.698 173 HA ALA 25 HA ALA 25 -0.568 3.995 13.549 174 HB1 ALA 25 1HB ALA 25 1.416 5.615 12.129 175 HB2 ALA 25 2HB ALA 25 -0.148 6.065 12.809 176 HB3 ALA 25 3HB ALA 25 -0.064 5.310 11.217 177 H GLU 26 H GLU 26 -1.715 2.395 12.744 178 HA GLU 26 HA GLU 26 -0.709 0.949 10.383 179 HB2 GLU 26 2HB GLU 26 -2.298 -0.861 11.175 180 HB3 GLU 26 1HB GLU 26 -0.889 -0.566 12.186 181 HG2 GLU 26 2HG GLU 26 -2.202 0.653 13.771 182 HG3 GLU 26 1HG GLU 26 -3.615 0.587 12.718 183 H LEU 27 H LEU 27 -2.463 0.002 9.006 184 HA LEU 27 HA LEU 27 -4.702 1.885 8.696 185 HB2 LEU 27 2HB LEU 27 -3.111 2.086 6.867 186 HB3 LEU 27 1HB LEU 27 -3.156 0.356 6.599 187 HG LEU 27 HG LEU 27 -5.806 1.525 6.406 188 HD11 LEU 27 1HD1 LEU 27 -3.699 2.532 4.497 189 HD12 LEU 27 2HD1 LEU 27 -4.582 3.504 5.675 190 HD13 LEU 27 3HD1 LEU 27 -5.441 2.756 4.330 191 HD21 LEU 27 3HD2 LEU 27 -4.502 0.350 4.049 192 HD22 LEU 27 1HD2 LEU 27 -6.045 -0.039 4.810 193 HD23 LEU 27 2HD2 LEU 27 -4.543 -0.686 5.478 194 H THR 28 H THR 28 -6.495 0.891 9.432 195 HA THR 28 HA THR 28 -6.735 -2.009 9.083 196 HB THR 28 HB THR 28 -8.404 -0.190 10.818 197 HG1 THR 28 1HG THR 28 -7.020 -0.581 12.417 198 HG21 THR 28 3HG2 THR 28 -7.992 -3.154 11.061 199 HG22 THR 28 1HG2 THR 28 -9.381 -2.418 10.262 200 HG23 THR 28 2HG2 THR 28 -9.099 -2.134 11.979 201 H TRP 29 H TRP 29 -8.002 -2.822 7.579 202 HA TRP 29 HA TRP 29 -9.983 -1.136 6.275 203 HB2 TRP 29 2HB TRP 29 -8.452 -2.318 4.800 204 HB3 TRP 29 1HB TRP 29 -8.872 -3.856 5.550 205 HD1 TRP 29 HD TRP 29 -10.623 -1.051 3.567 206 HE1 TRP 29 1HE TRP 29 -12.464 -2.115 2.104 207 HE3 TRP 29 3HE TRP 29 -10.180 -5.880 5.139 208 HZ2 TRP 29 2HZ TRP 29 -13.581 -4.683 1.695 209 HZ3 TRP 29 3HZ TRP 29 -11.672 -7.581 4.178 210 HH2 TRP 29 HH TRP 29 -13.338 -6.993 2.494 211 H ARG 30 H ARG 30 -11.933 -1.169 7.185 212 HA ARG 30 HA ARG 30 -12.949 -3.718 8.258 213 HB2 ARG 30 2HB ARG 30 -13.631 -0.857 8.938 214 HB3 ARG 30 1HB ARG 30 -14.614 -2.217 9.461 215 HG2 ARG 30 2HG ARG 30 -12.739 -3.133 10.696 216 HG3 ARG 30 1HG ARG 30 -11.704 -1.822 10.125 217 HD2 ARG 30 2HD ARG 30 -13.042 -0.196 11.299 218 HD3 ARG 30 1HD ARG 30 -14.201 -1.438 11.770 219 HE ARG 30 HE ARG 30 -11.681 -2.187 12.717 220 HH11 ARG 30 1HH1 ARG 30 -14.080 0.289 13.261 221 HH12 ARG 30 2HH1 ARG 30 -13.646 0.521 14.921 222 HH21 ARG 30 1HH2 ARG 30 -11.109 -1.884 14.902 223 HH22 ARG 30 2HH2 ARG 30 -11.959 -0.712 15.853 224 H SER 31 H SER 31 -14.248 -4.722 6.862 225 HA SER 31 HA SER 31 -15.309 -3.762 4.539 226 HB2 SER 31 2HB SER 31 -16.652 -5.820 6.301 227 HB3 SER 31 1HB SER 31 -16.847 -5.639 4.557 228 HG SER 31 HG SER 31 -14.813 -6.371 4.242 229 H THR 32 H THR 32 -17.632 -3.427 3.956 230 HA THR 32 HA THR 32 -18.692 -1.260 5.454 231 HB THR 32 HB THR 32 -20.600 -2.360 3.623 232 HG1 THR 32 1HG THR 32 -19.369 -2.423 1.772 233 HG21 THR 32 3HG2 THR 32 -18.839 0.051 3.294 234 HG22 THR 32 1HG2 THR 32 -20.366 0.029 4.175 235 HG23 THR 32 2HG2 THR 32 -20.346 -0.290 2.441 236 H ASP 33 H ASP 33 -19.497 -4.609 4.976 237 HA ASP 33 HA ASP 33 -21.811 -4.480 6.670 238 HB2 ASP 33 2HB ASP 33 -20.519 -6.575 5.005 239 HB3 ASP 33 1HB ASP 33 -21.546 -7.104 6.334 240 H GLY 34 H GLY 34 -18.575 -5.831 6.823 241 HA2 GLY 34 2HA GLY 34 -17.372 -5.697 8.936 242 HA3 GLY 34 1HA GLY 34 -18.893 -6.035 9.751 243 H ASP 35 H ASP 35 -18.179 -7.800 6.878 244 HA ASP 35 HA ASP 35 -17.964 -10.238 8.450 245 HB2 ASP 35 2HB ASP 35 -18.149 -9.928 5.448 246 HB3 ASP 35 1HB ASP 35 -18.360 -11.414 6.369 247 H LYS 36 H LYS 36 -15.937 -8.065 6.757 248 HA LYS 36 HA LYS 36 -13.702 -9.940 7.095 249 HB2 LYS 36 2HB LYS 36 -13.832 -8.147 4.687 250 HB3 LYS 36 1HB LYS 36 -12.802 -9.544 4.961 251 HG2 LYS 36 2HG LYS 36 -14.274 -10.534 3.580 252 HG3 LYS 36 1HG LYS 36 -15.200 -10.736 5.069 253 HD2 LYS 36 2HD LYS 36 -16.430 -8.675 4.578 254 HD3 LYS 36 1HD LYS 36 -15.507 -8.482 3.086 255 HE2 LYS 36 2HE LYS 36 -17.398 -10.729 3.766 256 HE3 LYS 36 1HE LYS 36 -17.665 -9.447 2.586 257 HZ1 LYS 36 3HZ LYS 36 -16.952 -11.148 1.257 258 HZ2 LYS 36 1HZ LYS 36 -15.900 -11.787 2.418 259 HZ3 LYS 36 2HZ LYS 36 -15.476 -10.385 1.573 260 H VAL 37 H VAL 37 -11.713 -9.027 7.567 261 HA VAL 37 HA VAL 37 -11.564 -6.125 7.839 262 HB VAL 37 HB VAL 37 -12.262 -7.618 10.026 263 HG11 VAL 37 1HG1 VAL 37 -9.941 -8.626 9.972 264 HG12 VAL 37 2HG1 VAL 37 -10.441 -7.898 11.498 265 HG13 VAL 37 3HG1 VAL 37 -9.342 -7.031 10.426 266 HG21 VAL 37 3HG2 VAL 37 -10.777 -5.005 9.892 267 HG22 VAL 37 1HG2 VAL 37 -11.590 -5.613 11.334 268 HG23 VAL 37 2HG2 VAL 37 -12.523 -5.252 9.881 269 H HIS 38 H HIS 38 -9.420 -5.310 8.030 270 HA HIS 38 HA HIS 38 -7.211 -7.186 7.757 271 HB2 HIS 38 2HB HIS 38 -8.299 -6.395 5.448 272 HB3 HIS 38 1HB HIS 38 -7.258 -5.004 5.732 273 HD1 HIS 38 1HD HIS 38 -7.005 -8.776 5.422 274 HD2 HIS 38 2HD HIS 38 -4.661 -5.371 5.001 275 HE1 HIS 38 1HE HIS 38 -4.818 -9.579 4.478 276 HE2 HIS 38 2HE HIS 38 -3.450 -7.489 4.145 277 H THR 39 H THR 39 -5.202 -6.310 8.317 278 HA THR 39 HA THR 39 -5.237 -3.522 9.256 279 HB THR 39 HB THR 39 -3.639 -5.491 10.803 280 HG1 THR 39 1HG THR 39 -6.462 -5.324 10.900 281 HG21 THR 39 3HG2 THR 39 -4.868 -2.874 11.234 282 HG22 THR 39 1HG2 THR 39 -3.431 -3.595 11.959 283 HG23 THR 39 2HG2 THR 39 -5.031 -3.998 12.584 284 H VAL 40 H VAL 40 -3.523 -2.329 8.694 285 HA VAL 40 HA VAL 40 -1.130 -3.712 7.671 286 HB VAL 40 HB VAL 40 -2.712 -1.522 6.418 287 HG11 VAL 40 1HG1 VAL 40 -0.703 -0.995 4.978 288 HG12 VAL 40 2HG1 VAL 40 0.274 -1.814 6.198 289 HG13 VAL 40 3HG1 VAL 40 -0.648 -0.374 6.628 290 HG21 VAL 40 3HG2 VAL 40 -1.753 -2.855 4.390 291 HG22 VAL 40 1HG2 VAL 40 -3.077 -3.521 5.349 292 HG23 VAL 40 2HG2 VAL 40 -1.421 -4.076 5.623 293 H VAL 41 H VAL 41 0.751 -3.011 8.443 294 HA VAL 41 HA VAL 41 0.622 -0.668 10.197 295 HB VAL 41 HB VAL 41 2.643 -2.911 10.152 296 HG11 VAL 41 1HG1 VAL 41 2.790 -0.216 11.280 297 HG12 VAL 41 2HG1 VAL 41 4.068 -1.401 11.016 298 HG13 VAL 41 3HG1 VAL 41 3.069 -1.492 12.466 299 HG21 VAL 41 3HG2 VAL 41 0.268 -2.203 11.787 300 HG22 VAL 41 1HG2 VAL 41 1.645 -2.946 12.607 301 HG23 VAL 41 2HG2 VAL 41 0.856 -3.787 11.272 302 H LEU 42 H LEU 42 1.049 1.108 9.119 303 HA LEU 42 HA LEU 42 2.477 1.420 6.791 304 HB2 LEU 42 2HB LEU 42 1.918 3.305 9.060 305 HB3 LEU 42 1HB LEU 42 2.818 3.824 7.649 306 HG LEU 42 HG LEU 42 0.552 4.492 7.338 307 HD11 LEU 42 1HD1 LEU 42 0.510 2.064 5.649 308 HD12 LEU 42 2HD1 LEU 42 1.907 3.129 5.496 309 HD13 LEU 42 3HD1 LEU 42 0.284 3.757 5.213 310 HD21 LEU 42 3HD2 LEU 42 -1.337 3.026 7.490 311 HD22 LEU 42 1HD2 LEU 42 -0.408 2.876 8.982 312 HD23 LEU 42 2HD2 LEU 42 -0.294 1.627 7.744 313 H SER 43 H SER 43 3.701 0.981 10.004 314 HA SER 43 HA SER 43 6.264 2.100 9.659 315 HB2 SER 43 2HB SER 43 5.610 -0.238 11.452 316 HB3 SER 43 1HB SER 43 6.879 0.967 11.668 317 HG SER 43 HG SER 43 4.083 1.293 11.931 318 H THR 44 H THR 44 4.886 -0.946 8.751 319 HA THR 44 HA THR 44 7.492 -2.016 7.977 320 HB THR 44 HB THR 44 6.532 -4.119 7.897 321 HG1 THR 44 1HG THR 44 4.008 -2.903 7.461 322 HG21 THR 44 3HG2 THR 44 6.215 -3.214 10.181 323 HG22 THR 44 1HG2 THR 44 5.050 -4.462 9.736 324 HG23 THR 44 2HG2 THR 44 4.573 -2.765 9.725 325 H ILE 45 H ILE 45 4.531 -0.802 6.655 326 HA ILE 45 HA ILE 45 4.570 -1.616 4.053 327 HB ILE 45 HB ILE 45 3.890 1.148 5.063 328 HG12 ILE 45 2HG1 ILE 45 2.507 -0.471 6.140 329 HG13 ILE 45 1HG1 ILE 45 1.538 0.238 4.854 330 HG21 ILE 45 1HG2 ILE 45 3.112 -0.154 2.456 331 HG22 ILE 45 2HG2 ILE 45 4.297 1.139 2.639 332 HG23 ILE 45 3HG2 ILE 45 2.604 1.435 3.026 333 HD11 ILE 45 3HD1 ILE 45 1.055 -1.879 4.345 334 HD12 ILE 45 1HD1 ILE 45 2.443 -2.511 5.230 335 HD13 ILE 45 2HD1 ILE 45 2.648 -1.898 3.588 336 H ASP 46 H ASP 46 6.283 -1.748 2.767 337 HA ASP 46 HA ASP 46 8.581 -0.164 2.902 338 HB2 ASP 46 2HB ASP 46 7.970 -2.447 1.621 339 HB3 ASP 46 1HB ASP 46 7.859 -1.326 0.267 340 H LYS 47 H LYS 47 5.832 0.016 0.631 341 HA LYS 47 HA LYS 47 6.202 2.875 0.402 342 HB2 LYS 47 2HB LYS 47 6.134 1.485 -2.229 343 HB3 LYS 47 1HB LYS 47 6.834 3.038 -1.799 344 HG2 LYS 47 2HG LYS 47 8.696 1.883 -0.698 345 HG3 LYS 47 1HG LYS 47 7.995 0.332 -1.165 346 HD2 LYS 47 2HD LYS 47 8.063 1.593 -3.558 347 HD3 LYS 47 1HD LYS 47 9.471 2.311 -2.773 348 HE2 LYS 47 2HE LYS 47 10.630 0.368 -2.777 349 HE3 LYS 47 1HE LYS 47 9.190 -0.614 -2.508 350 HZ1 LYS 47 3HZ LYS 47 10.322 0.367 -5.032 351 HZ2 LYS 47 1HZ LYS 47 8.653 0.103 -4.934 352 HZ3 LYS 47 2HZ LYS 47 9.730 -1.169 -4.646 353 H LEU 48 H LEU 48 4.532 3.837 -1.078 354 HA LEU 48 HA LEU 48 2.015 2.323 -0.823 355 HB2 LEU 48 2HB LEU 48 2.682 4.854 0.093 356 HB3 LEU 48 1HB LEU 48 1.784 5.185 -1.376 357 HG LEU 48 HG LEU 48 0.093 3.441 -0.273 358 HD11 LEU 48 1HD1 LEU 48 1.695 3.193 1.678 359 HD12 LEU 48 2HD1 LEU 48 0.013 3.542 2.076 360 HD13 LEU 48 3HD1 LEU 48 1.220 4.826 2.141 361 HD21 LEU 48 3HD2 LEU 48 -0.170 6.078 0.972 362 HD22 LEU 48 1HD2 LEU 48 -1.255 5.226 -0.128 363 HD23 LEU 48 2HD2 LEU 48 0.120 6.124 -0.768 364 H GLN 49 H GLN 49 0.385 2.773 -2.558 365 HA GLN 49 HA GLN 49 1.546 3.619 -5.102 366 HB2 GLN 49 2HB GLN 49 0.374 0.900 -4.567 367 HB3 GLN 49 1HB GLN 49 0.482 1.571 -6.188 368 HG2 GLN 49 2HG GLN 49 2.544 0.795 -6.340 369 HG3 GLN 49 1HG GLN 49 3.024 1.879 -5.035 370 HE21 GLN 49 1HE2 GLN 49 1.546 0.696 -2.964 371 HE22 GLN 49 2HE2 GLN 49 2.243 -0.855 -2.615 372 H ALA 50 H ALA 50 0.111 4.481 -6.538 373 HA ALA 50 HA ALA 50 -2.743 4.266 -6.063 374 HB1 ALA 50 1HB ALA 50 -2.146 6.103 -4.596 375 HB2 ALA 50 2HB ALA 50 -3.080 6.696 -5.970 376 HB3 ALA 50 3HB ALA 50 -1.331 6.926 -5.926 377 H THR 51 H THR 51 -3.839 4.282 -7.914 378 HA THR 51 HA THR 51 -2.614 4.180 -10.403 379 HB THR 51 HB THR 51 -4.906 4.490 -11.337 380 HG1 THR 51 1HG THR 51 -5.429 5.181 -8.664 381 HG21 THR 51 3HG2 THR 51 -4.707 2.278 -10.922 382 HG22 THR 51 1HG2 THR 51 -5.977 2.652 -9.759 383 HG23 THR 51 2HG2 THR 51 -4.304 2.516 -9.222 384 HA PRO 52 HA PRO 52 -1.411 8.541 -10.741 385 HB2 PRO 52 2HB PRO 52 -0.592 8.070 -13.379 386 HB3 PRO 52 1HB PRO 52 0.435 7.999 -11.943 387 HG2 PRO 52 2HG PRO 52 -0.996 5.786 -13.359 388 HG3 PRO 52 1HG PRO 52 0.645 5.803 -12.686 389 HD2 PRO 52 2HD PRO 52 -1.270 4.579 -11.385 390 HD3 PRO 52 1HD PRO 52 -0.156 5.634 -10.484 391 H ALA 53 H ALA 53 -2.003 10.265 -12.230 392 HA ALA 53 HA ALA 53 -4.713 10.349 -12.839 393 HB1 ALA 53 1HB ALA 53 -2.920 12.076 -14.437 394 HB2 ALA 53 2HB ALA 53 -2.805 12.207 -12.682 395 HB3 ALA 53 3HB ALA 53 -4.348 12.489 -13.487 396 H SER 54 H SER 54 -2.162 8.879 -14.605 397 HA SER 54 HA SER 54 -3.283 9.104 -17.209 398 HB2 SER 54 2HB SER 54 -1.249 7.195 -16.046 399 HB3 SER 54 1HB SER 54 -1.696 7.225 -17.752 400 HG SER 54 HG SER 54 -0.841 9.246 -17.943 401 H SER 55 H SER 55 -3.962 7.112 -14.501 402 HA SER 55 HA SER 55 -5.519 5.262 -16.174 403 HB2 SER 55 2HB SER 55 -3.724 4.631 -14.236 404 HB3 SER 55 1HB SER 55 -5.214 4.667 -13.294 405 HG SER 55 HG SER 55 -5.839 2.896 -14.239 406 H GLU 56 H GLU 56 -7.678 5.294 -16.103 407 HA GLU 56 HA GLU 56 -9.002 7.313 -14.550 408 HB2 GLU 56 2HB GLU 56 -9.515 6.145 -16.964 409 HB3 GLU 56 1HB GLU 56 -10.679 5.329 -15.929 410 HG2 GLU 56 2HG GLU 56 -11.046 7.891 -15.163 411 HG3 GLU 56 1HG GLU 56 -10.589 8.114 -16.851 412 H LYS 57 H LYS 57 -8.308 3.982 -14.144 413 HA LYS 57 HA LYS 57 -10.482 3.469 -12.320 414 HB2 LYS 57 2HB LYS 57 -8.112 1.893 -13.281 415 HB3 LYS 57 1HB LYS 57 -9.099 1.323 -11.944 416 HG2 LYS 57 2HG LYS 57 -9.590 0.492 -14.334 417 HG3 LYS 57 1HG LYS 57 -10.932 0.934 -13.283 418 HD2 LYS 57 2HD LYS 57 -11.374 1.861 -15.431 419 HD3 LYS 57 1HD LYS 57 -10.907 3.197 -14.379 420 HE2 LYS 57 2HE LYS 57 -9.498 3.735 -16.037 421 HE3 LYS 57 1HE LYS 57 -8.500 2.434 -15.390 422 HZ1 LYS 57 3HZ LYS 57 -9.690 0.923 -16.958 423 HZ2 LYS 57 1HZ LYS 57 -8.714 2.083 -17.708 424 HZ3 LYS 57 2HZ LYS 57 -10.392 2.288 -17.668 425 H MET 58 H MET 58 -10.464 4.130 -10.281 426 HA MET 58 HA MET 58 -8.061 5.058 -9.013 427 HB2 MET 58 2HB MET 58 -10.930 4.819 -8.129 428 HB3 MET 58 1HB MET 58 -9.660 5.336 -7.028 429 HG2 MET 58 2HG MET 58 -10.742 7.269 -7.895 430 HG3 MET 58 1HG MET 58 -9.125 7.180 -8.587 431 HE1 MET 58 3HE MET 58 -8.616 6.940 -11.141 432 HE2 MET 58 1HE MET 58 -9.205 8.520 -10.625 433 HE3 MET 58 2HE MET 58 -9.789 7.811 -12.130 434 H MET 59 H MET 59 -6.626 3.675 -8.195 435 HA MET 59 HA MET 59 -7.503 1.647 -6.322 436 HB2 MET 59 2HB MET 59 -5.749 0.781 -8.610 437 HB3 MET 59 1HB MET 59 -6.542 -0.227 -7.408 438 HG2 MET 59 2HG MET 59 -8.715 0.340 -8.364 439 HG3 MET 59 1HG MET 59 -7.921 1.353 -9.568 440 HE1 MET 59 3HE MET 59 -5.674 0.298 -10.551 441 HE2 MET 59 1HE MET 59 -5.824 -1.127 -11.577 442 HE3 MET 59 2HE MET 59 -5.269 -1.296 -9.912 443 H LEU 60 H LEU 60 -6.004 1.204 -4.774 444 HA LEU 60 HA LEU 60 -3.323 2.375 -5.129 445 HB2 LEU 60 2HB LEU 60 -5.220 2.611 -2.819 446 HB3 LEU 60 1HB LEU 60 -3.491 2.734 -2.560 447 HG LEU 60 HG LEU 60 -3.479 4.602 -4.267 448 HD11 LEU 60 1HD1 LEU 60 -6.050 5.575 -4.036 449 HD12 LEU 60 2HD1 LEU 60 -6.284 3.856 -4.353 450 HD13 LEU 60 3HD1 LEU 60 -5.337 4.837 -5.471 451 HD21 LEU 60 3HD2 LEU 60 -3.767 4.659 -1.602 452 HD22 LEU 60 1HD2 LEU 60 -5.247 5.492 -2.077 453 HD23 LEU 60 2HD2 LEU 60 -3.680 6.112 -2.598 454 H ARG 61 H ARG 61 -1.611 1.192 -4.392 455 HA ARG 61 HA ARG 61 -2.249 -1.443 -3.242 456 HB2 ARG 61 2HB ARG 61 0.354 -1.013 -4.619 457 HB3 ARG 61 1HB ARG 61 -0.643 -2.456 -4.529 458 HG2 ARG 61 2HG ARG 61 -2.245 -0.883 -6.005 459 HG3 ARG 61 1HG ARG 61 -0.667 -0.254 -6.482 460 HD2 ARG 61 2HD ARG 61 -0.739 -3.162 -6.400 461 HD3 ARG 61 1HD ARG 61 -1.924 -2.486 -7.517 462 HE ARG 61 HE ARG 61 -0.211 -1.786 -8.876 463 HH11 ARG 61 1HH1 ARG 61 1.097 -2.763 -5.790 464 HH12 ARG 61 2HH1 ARG 61 2.741 -2.693 -6.326 465 HH21 ARG 61 1HH2 ARG 61 1.952 -1.695 -9.580 466 HH22 ARG 61 2HH2 ARG 61 3.228 -2.087 -8.476 467 H LEU 62 H LEU 62 -0.763 -2.322 -1.697 468 HA LEU 62 HA LEU 62 0.911 -0.295 -0.373 469 HB2 LEU 62 2HB LEU 62 -1.448 -1.209 0.615 470 HB3 LEU 62 1HB LEU 62 -0.326 -2.338 1.343 471 HG LEU 62 HG LEU 62 0.447 -0.816 2.814 472 HD11 LEU 62 1HD1 LEU 62 0.205 1.294 0.686 473 HD12 LEU 62 2HD1 LEU 62 1.681 0.510 1.253 474 HD13 LEU 62 3HD1 LEU 62 0.782 1.581 2.327 475 HD21 LEU 62 3HD2 LEU 62 -2.029 0.599 1.875 476 HD22 LEU 62 1HD2 LEU 62 -1.202 0.909 3.400 477 HD23 LEU 62 2HD2 LEU 62 -1.942 -0.665 3.101 478 H ILE 63 H ILE 63 2.973 -0.915 -0.418 479 HA ILE 63 HA ILE 63 3.641 -3.752 -0.585 480 HB ILE 63 HB ILE 63 5.385 -1.290 -0.805 481 HG12 ILE 63 2HG1 ILE 63 4.003 -1.529 -2.750 482 HG13 ILE 63 1HG1 ILE 63 5.617 -2.085 -3.179 483 HG21 ILE 63 1HG2 ILE 63 6.111 -4.203 -1.091 484 HG22 ILE 63 2HG2 ILE 63 6.693 -3.080 0.139 485 HG23 ILE 63 3HG2 ILE 63 7.153 -2.856 -1.549 486 HD11 ILE 63 3HD1 ILE 63 4.296 -3.703 -4.120 487 HD12 ILE 63 1HD1 ILE 63 3.110 -3.647 -2.815 488 HD13 ILE 63 2HD1 ILE 63 4.672 -4.426 -2.556 489 H GLY 64 H GLY 64 4.571 -4.897 1.036 490 HA2 GLY 64 2HA GLY 64 4.869 -3.513 3.613 491 HA3 GLY 64 1HA GLY 64 4.630 -5.240 3.401 492 H LYS 65 H LYS 65 6.571 -4.493 5.098 493 HA LYS 65 HA LYS 65 9.115 -4.167 3.846 494 HB2 LYS 65 2HB LYS 65 8.182 -3.865 6.399 495 HB3 LYS 65 1HB LYS 65 9.082 -5.369 6.532 496 HG2 LYS 65 2HG LYS 65 10.427 -3.391 7.096 497 HG3 LYS 65 1HG LYS 65 11.085 -4.301 5.735 498 HD2 LYS 65 2HD LYS 65 10.921 -2.536 4.384 499 HD3 LYS 65 1HD LYS 65 9.233 -2.280 4.828 500 HE2 LYS 65 2HE LYS 65 11.201 -1.498 6.869 501 HE3 LYS 65 1HE LYS 65 11.247 -0.551 5.382 502 HZ1 LYS 65 3HZ LYS 65 8.653 -1.056 6.658 503 HZ2 LYS 65 1HZ LYS 65 9.157 0.268 5.730 504 HZ3 LYS 65 2HZ LYS 65 9.674 0.112 7.333 505 H VAL 66 H VAL 66 10.681 -5.669 3.371 506 HA VAL 66 HA VAL 66 9.845 -8.457 3.391 507 HB VAL 66 HB VAL 66 10.175 -7.432 1.194 508 HG11 VAL 66 1HG1 VAL 66 12.581 -6.442 2.421 509 HG12 VAL 66 2HG1 VAL 66 11.792 -5.949 0.922 510 HG13 VAL 66 3HG1 VAL 66 12.939 -7.289 0.916 511 HG21 VAL 66 3HG2 VAL 66 10.543 -9.588 0.751 512 HG22 VAL 66 1HG2 VAL 66 11.571 -9.797 2.168 513 HG23 VAL 66 2HG2 VAL 66 12.250 -9.149 0.675 514 H ASP 67 H ASP 67 12.916 -8.412 2.640 515 HA ASP 67 HA ASP 67 14.321 -8.047 5.030 516 HB2 ASP 67 2HB ASP 67 14.738 -10.504 5.531 517 HB3 ASP 67 1HB ASP 67 13.145 -9.889 5.965 518 H GLU 68 H GLU 68 16.442 -7.965 4.590 519 HA GLU 68 HA GLU 68 17.314 -8.922 1.960 520 HB2 GLU 68 2HB GLU 68 18.803 -7.071 3.821 521 HB3 GLU 68 1HB GLU 68 19.113 -7.351 2.113 522 HG2 GLU 68 2HG GLU 68 17.312 -6.084 1.439 523 HG3 GLU 68 1HG GLU 68 16.473 -6.268 2.979 524 H SER 69 H SER 69 16.985 -10.693 4.271 525 HA SER 69 HA SER 69 19.782 -11.490 4.717 526 HB2 SER 69 2HB SER 69 19.123 -12.520 6.754 527 HB3 SER 69 1HB SER 69 18.304 -10.958 6.726 528 HG SER 69 HG SER 69 16.735 -12.369 7.250 529 H LYS 70 H LYS 70 16.803 -12.406 3.283 530 HA LYS 70 HA LYS 70 17.325 -15.222 3.174 531 HB2 LYS 70 2HB LYS 70 15.268 -13.375 2.075 532 HB3 LYS 70 1HB LYS 70 15.489 -14.916 1.258 533 HG2 LYS 70 2HG LYS 70 15.205 -14.946 4.209 534 HG3 LYS 70 1HG LYS 70 13.770 -14.609 3.239 535 HD2 LYS 70 2HD LYS 70 13.653 -16.720 2.448 536 HD3 LYS 70 1HD LYS 70 15.406 -16.879 2.325 537 HE2 LYS 70 2HE LYS 70 15.089 -16.796 5.013 538 HE3 LYS 70 1HE LYS 70 13.586 -17.581 4.529 539 HZ1 LYS 70 3HZ LYS 70 16.343 -18.532 4.291 540 HZ2 LYS 70 1HZ LYS 70 15.247 -18.995 3.089 541 HZ3 LYS 70 2HZ LYS 70 14.941 -19.381 4.706 542 H LYS 71 H LYS 71 16.914 -12.943 0.467 543 HA LYS 71 HA LYS 71 17.948 -12.772 -1.551 544 HB2 LYS 71 2HB LYS 71 20.150 -13.704 0.237 545 HB3 LYS 71 1HB LYS 71 20.434 -13.672 -1.497 546 HG2 LYS 71 2HG LYS 71 19.268 -11.236 -0.301 547 HG3 LYS 71 1HG LYS 71 20.945 -11.603 0.107 548 HD2 LYS 71 2HD LYS 71 21.200 -11.959 -2.463 549 HD3 LYS 71 1HD LYS 71 19.729 -10.990 -2.555 550 HE2 LYS 71 2HE LYS 71 20.953 -9.311 -1.070 551 HE3 LYS 71 1HE LYS 71 22.415 -10.218 -1.453 552 HZ1 LYS 71 3HZ LYS 71 22.443 -8.659 -3.096 553 HZ2 LYS 71 1HZ LYS 71 20.758 -8.542 -3.193 554 HZ3 LYS 71 2HZ LYS 71 21.556 -9.864 -3.885 555 H ARG 72 H ARG 72 16.417 -14.365 -2.332 556 HA ARG 72 HA ARG 72 17.583 -17.023 -2.795 557 HB2 ARG 72 2HB ARG 72 15.316 -17.788 -3.248 558 HB3 ARG 72 1HB ARG 72 15.387 -16.994 -1.681 559 HG2 ARG 72 2HG ARG 72 14.019 -15.322 -2.315 560 HG3 ARG 72 1HG ARG 72 14.665 -15.270 -3.956 561 HD2 ARG 72 2HD ARG 72 12.576 -16.097 -4.377 562 HD3 ARG 72 1HD ARG 72 13.461 -17.603 -4.145 563 HE ARG 72 HE ARG 72 12.340 -16.624 -1.709 564 HH11 ARG 72 1HH1 ARG 72 11.599 -18.372 -4.638 565 HH12 ARG 72 2HH1 ARG 72 10.277 -19.240 -3.933 566 HH21 ARG 72 1HH2 ARG 72 10.601 -17.764 -0.782 567 HH22 ARG 72 2HH2 ARG 72 9.709 -18.895 -1.744 568 H LYS 73 H LYS 73 16.308 -17.908 -4.968 569 HA LYS 73 HA LYS 73 17.253 -16.088 -7.073 570 HB2 LYS 73 2HB LYS 73 17.178 -19.042 -6.770 571 HB3 LYS 73 1HB LYS 73 16.934 -18.403 -8.390 572 HG2 LYS 73 2HG LYS 73 19.153 -18.421 -8.550 573 HG3 LYS 73 1HG LYS 73 19.110 -16.986 -7.523 574 HD2 LYS 73 2HD LYS 73 19.278 -18.461 -5.537 575 HD3 LYS 73 1HD LYS 73 19.444 -19.845 -6.618 576 HE2 LYS 73 2HE LYS 73 21.282 -17.600 -7.126 577 HE3 LYS 73 1HE LYS 73 21.526 -18.453 -5.602 578 HZ1 LYS 73 3HZ LYS 73 22.219 -20.307 -6.649 579 HZ2 LYS 73 1HZ LYS 73 22.606 -19.229 -7.895 580 HZ3 LYS 73 2HZ LYS 73 21.167 -20.116 -7.960 581 H ASP 74 H ASP 74 16.041 -16.643 -9.264 582 HA ASP 74 HA ASP 74 13.214 -16.148 -8.710 583 HB2 ASP 74 2HB ASP 74 14.850 -14.778 -10.315 584 HB3 ASP 74 1HB ASP 74 14.296 -15.980 -11.477 585 H ASN 75 H ASN 75 14.619 -18.830 -8.719 586 HA ASN 75 HA ASN 75 13.942 -20.965 -9.132 587 HB2 ASN 75 2HB ASN 75 11.611 -19.503 -9.576 588 HB3 ASN 75 1HB ASN 75 11.790 -20.489 -11.024 589 HD21 ASN 75 1HD2 ASN 75 10.060 -21.798 -10.557 590 HD22 ASN 75 2HD2 ASN 75 10.076 -22.952 -9.270 591 H GLU 76 H GLU 76 15.082 -18.840 -11.392 592 HA GLU 76 HA GLU 76 15.813 -21.048 -13.130 593 HB2 GLU 76 2HB GLU 76 13.718 -19.955 -14.055 594 HB3 GLU 76 1HB GLU 76 14.706 -18.527 -14.347 595 HG2 GLU 76 2HG GLU 76 16.180 -20.606 -15.420 596 HG3 GLU 76 1HG GLU 76 14.510 -20.985 -15.851 597 H GLY 77 H GLY 77 17.860 -20.784 -12.309 598 HA2 GLY 77 2HA GLY 77 19.929 -19.772 -11.955 599 HA3 GLY 77 1HA GLY 77 19.792 -19.581 -13.693 600 H ASN 78 H ASN 78 17.828 -17.888 -11.302 601 HA ASN 78 HA ASN 78 19.253 -15.401 -11.979 602 HB2 ASN 78 2HB ASN 78 16.343 -16.023 -12.139 603 HB3 ASN 78 1HB ASN 78 16.809 -14.412 -11.603 604 HD21 ASN 78 1HD2 ASN 78 15.486 -15.398 -14.068 605 HD22 ASN 78 2HD2 ASN 78 16.438 -14.763 -15.373 606 H GLU 79 H GLU 79 19.727 -14.079 -10.314 607 HA GLU 79 HA GLU 79 18.882 -14.954 -7.643 608 HB2 GLU 79 2HB GLU 79 21.386 -14.533 -8.526 609 HB3 GLU 79 1HB GLU 79 21.012 -12.911 -7.958 610 HG2 GLU 79 2HG GLU 79 20.916 -13.545 -5.771 611 HG3 GLU 79 1HG GLU 79 20.419 -15.193 -6.155 612 H VAL 80 H VAL 80 17.171 -13.891 -6.895 613 HA VAL 80 HA VAL 80 17.103 -10.966 -7.216 614 HB VAL 80 HB VAL 80 14.677 -11.022 -7.442 615 HG11 VAL 80 1HG1 VAL 80 15.875 -10.993 -9.496 616 HG12 VAL 80 2HG1 VAL 80 14.544 -12.136 -9.685 617 HG13 VAL 80 3HG1 VAL 80 16.183 -12.728 -9.411 618 HG21 VAL 80 3HG2 VAL 80 15.070 -13.967 -7.091 619 HG22 VAL 80 1HG2 VAL 80 13.686 -13.354 -7.996 620 HG23 VAL 80 2HG2 VAL 80 13.912 -12.892 -6.308 621 H VAL 81 H VAL 81 15.037 -10.263 -5.687 622 HA VAL 81 HA VAL 81 15.725 -11.336 -3.031 623 HB VAL 81 HB VAL 81 14.623 -8.589 -3.626 624 HG11 VAL 81 1HG1 VAL 81 14.194 -9.499 -1.367 625 HG12 VAL 81 2HG1 VAL 81 15.235 -8.076 -1.351 626 HG13 VAL 81 3HG1 VAL 81 15.934 -9.682 -1.140 627 HG21 VAL 81 3HG2 VAL 81 16.742 -8.541 -4.615 628 HG22 VAL 81 1HG2 VAL 81 17.452 -9.557 -3.361 629 HG23 VAL 81 2HG2 VAL 81 17.007 -7.889 -2.999 630 HA PRO 82 HA PRO 82 11.608 -12.903 -2.559 631 HB2 PRO 82 2HB PRO 82 11.884 -11.884 0.231 632 HB3 PRO 82 1HB PRO 82 11.417 -13.491 -0.341 633 HG2 PRO 82 2HG PRO 82 13.849 -13.063 0.649 634 HG3 PRO 82 1HG PRO 82 13.609 -14.130 -0.748 635 HD2 PRO 82 2HD PRO 82 14.673 -11.344 -0.649 636 HD3 PRO 82 1HD PRO 82 15.141 -12.696 -1.701 637 H LYS 83 H LYS 83 9.726 -11.986 -3.071 638 HA LYS 83 HA LYS 83 9.384 -9.148 -2.920 639 HB2 LYS 83 2HB LYS 83 7.685 -11.423 -3.897 640 HB3 LYS 83 1HB LYS 83 7.018 -9.802 -3.761 641 HG2 LYS 83 2HG LYS 83 7.700 -9.854 -5.954 642 HG3 LYS 83 1HG LYS 83 9.092 -9.111 -5.163 643 HD2 LYS 83 2HD LYS 83 10.024 -10.729 -6.575 644 HD3 LYS 83 1HD LYS 83 10.022 -11.491 -4.982 645 HE2 LYS 83 2HE LYS 83 7.624 -12.297 -5.847 646 HE3 LYS 83 1HE LYS 83 8.436 -12.124 -7.402 647 HZ1 LYS 83 3HZ LYS 83 9.532 -13.698 -5.138 648 HZ2 LYS 83 1HZ LYS 83 10.111 -13.651 -6.728 649 HZ3 LYS 83 2HZ LYS 83 8.617 -14.369 -6.393 650 HA PRO 84 HA PRO 84 7.429 -9.074 1.069 651 HB2 PRO 84 2HB PRO 84 6.524 -6.555 1.063 652 HB3 PRO 84 1HB PRO 84 8.250 -6.924 1.173 653 HG2 PRO 84 2HG PRO 84 6.636 -6.128 -1.215 654 HG3 PRO 84 1HG PRO 84 8.220 -5.532 -0.694 655 HD2 PRO 84 2HD PRO 84 7.914 -7.407 -2.636 656 HD3 PRO 84 1HD PRO 84 9.330 -7.349 -1.567 657 H GLN 85 H GLN 85 5.210 -7.828 1.853 658 HA GLN 85 HA GLN 85 3.118 -9.293 0.477 659 HB2 GLN 85 2HB GLN 85 2.927 -7.557 2.945 660 HB3 GLN 85 1HB GLN 85 1.711 -8.687 2.366 661 HG2 GLN 85 2HG GLN 85 3.322 -10.531 2.726 662 HG3 GLN 85 1HG GLN 85 4.447 -9.365 3.421 663 HE21 GLN 85 1HE2 GLN 85 4.398 -10.573 5.361 664 HE22 GLN 85 2HE2 GLN 85 3.066 -10.429 6.466 665 H ARG 86 H ARG 86 2.060 -8.406 -1.163 666 HA ARG 86 HA ARG 86 1.873 -5.487 -1.330 667 HB2 ARG 86 2HB ARG 86 1.142 -7.450 -3.495 668 HB3 ARG 86 1HB ARG 86 1.503 -5.738 -3.662 669 HG2 ARG 86 2HG ARG 86 3.830 -6.158 -3.085 670 HG3 ARG 86 1HG ARG 86 3.475 -7.875 -2.876 671 HD2 ARG 86 2HD ARG 86 2.852 -6.496 -5.458 672 HD3 ARG 86 1HD ARG 86 4.490 -7.048 -5.115 673 HE ARG 86 HE ARG 86 2.971 -9.233 -4.608 674 HH11 ARG 86 1HH1 ARG 86 3.249 -7.087 -7.346 675 HH12 ARG 86 2HH1 ARG 86 2.843 -8.308 -8.503 676 HH21 ARG 86 1HH2 ARG 86 2.438 -10.841 -6.129 677 HH22 ARG 86 2HH2 ARG 86 2.382 -10.439 -7.813 678 H HIS 87 H HIS 87 0.101 -4.665 -0.440 679 HA HIS 87 HA HIS 87 -2.389 -6.190 -0.458 680 HB2 HIS 87 2HB HIS 87 -1.860 -3.511 0.838 681 HB3 HIS 87 1HB HIS 87 -3.201 -4.605 1.159 682 HD1 HIS 87 1HD HIS 87 -2.144 -7.148 1.954 683 HD2 HIS 87 2HD HIS 87 -0.035 -3.671 2.809 684 HE1 HIS 87 1HE HIS 87 -0.600 -7.746 3.846 685 HE2 HIS 87 2HE HIS 87 0.605 -5.604 4.403 686 H MET 88 H MET 88 -3.678 -5.958 -2.159 687 HA MET 88 HA MET 88 -3.568 -3.527 -3.753 688 HB2 MET 88 2HB MET 88 -4.301 -6.302 -4.211 689 HB3 MET 88 1HB MET 88 -5.502 -5.196 -4.862 690 HG2 MET 88 2HG MET 88 -3.218 -4.034 -5.726 691 HG3 MET 88 1HG MET 88 -2.755 -5.734 -5.735 692 HE1 MET 88 3HE MET 88 -4.437 -3.781 -9.177 693 HE2 MET 88 1HE MET 88 -2.829 -3.994 -8.484 694 HE3 MET 88 2HE MET 88 -4.010 -2.967 -7.672 695 H PHE 89 H PHE 89 -4.985 -1.931 -3.617 696 HA PHE 89 HA PHE 89 -7.600 -2.458 -2.373 697 HB2 PHE 89 2HB PHE 89 -5.839 -0.031 -1.962 698 HB3 PHE 89 1HB PHE 89 -7.486 -0.193 -1.361 699 HD1 PHE 89 1HD PHE 89 -7.995 -1.940 0.347 700 HD2 PHE 89 2HD PHE 89 -4.016 -0.970 -0.808 701 HE1 PHE 89 1HE PHE 89 -7.145 -3.008 2.394 702 HE2 PHE 89 2HE PHE 89 -3.158 -2.037 1.237 703 HZ PHE 89 HZ PHE 89 -4.724 -3.058 2.840 704 H SER 90 H SER 90 -9.318 -1.757 -3.497 705 HA SER 90 HA SER 90 -8.790 -0.123 -5.885 706 HB2 SER 90 2HB SER 90 -11.386 -1.528 -5.628 707 HB3 SER 90 1HB SER 90 -10.335 -1.342 -7.032 708 HG SER 90 HG SER 90 -9.041 -2.983 -6.254 709 H PHE 91 H PHE 91 -9.241 1.950 -5.584 710 HA PHE 91 HA PHE 91 -11.241 2.793 -3.667 711 HB2 PHE 91 2HB PHE 91 -9.279 4.248 -5.431 712 HB3 PHE 91 1HB PHE 91 -10.531 5.111 -4.542 713 HD1 PHE 91 2HD PHE 91 -8.294 2.259 -3.645 714 HD2 PHE 91 1HD PHE 91 -9.588 6.214 -2.766 715 HE1 PHE 91 2HE PHE 91 -6.861 2.278 -1.647 716 HE2 PHE 91 1HE PHE 91 -8.160 6.243 -0.767 717 HZ PHE 91 HZ PHE 91 -6.794 4.275 -0.199 718 H ASN 92 H ASN 92 -12.512 4.909 -4.665 719 HA ASN 92 HA ASN 92 -13.589 4.288 -7.288 720 HB2 ASN 92 2HB ASN 92 -14.812 3.037 -5.257 721 HB3 ASN 92 1HB ASN 92 -15.673 4.573 -5.194 722 HD21 ASN 92 1HD2 ASN 92 -17.083 2.368 -5.744 723 HD22 ASN 92 2HD2 ASN 92 -17.555 2.335 -7.406 724 H ASN 93 H ASN 93 -12.146 6.539 -6.223 725 HA ASN 93 HA ASN 93 -13.692 8.630 -7.282 726 HB2 ASN 93 2HB ASN 93 -14.501 8.060 -4.715 727 HB3 ASN 93 1HB ASN 93 -13.340 9.359 -4.463 728 HD21 ASN 93 1HD2 ASN 93 -15.232 10.524 -3.715 729 HD22 ASN 93 2HD2 ASN 93 -16.238 11.331 -4.878 730 H ARG 94 H ARG 94 -12.622 10.743 -7.104 731 HA ARG 94 HA ARG 94 -9.764 10.422 -7.214 732 HB2 ARG 94 2HB ARG 94 -9.802 12.869 -7.795 733 HB3 ARG 94 1HB ARG 94 -10.732 11.837 -8.873 734 HG2 ARG 94 2HG ARG 94 -12.788 12.542 -7.898 735 HG3 ARG 94 1HG ARG 94 -11.944 13.391 -6.602 736 HD2 ARG 94 2HD ARG 94 -11.359 15.144 -7.943 737 HD3 ARG 94 1HD ARG 94 -11.318 14.155 -9.402 738 HE ARG 94 HE ARG 94 -13.944 14.193 -8.759 739 HH11 ARG 94 1HH1 ARG 94 -11.558 16.704 -9.184 740 HH12 ARG 94 2HH1 ARG 94 -12.708 17.878 -9.729 741 HH21 ARG 94 1HH2 ARG 94 -15.458 15.735 -9.476 742 HH22 ARG 94 2HH2 ARG 94 -14.923 17.328 -9.895 743 H THR 95 H THR 95 -12.091 12.090 -5.131 744 HA THR 95 HA THR 95 -10.214 13.373 -3.487 745 HB THR 95 HB THR 95 -12.777 12.617 -2.326 746 HG1 THR 95 1HG THR 95 -13.888 12.950 -4.052 747 HG21 THR 95 3HG2 THR 95 -11.667 15.315 -2.973 748 HG22 THR 95 1HG2 THR 95 -11.356 14.449 -1.470 749 HG23 THR 95 2HG2 THR 95 -12.999 14.945 -1.878 750 H VAL 96 H VAL 96 -12.002 10.327 -3.192 751 HA VAL 96 HA VAL 96 -11.056 9.608 -0.647 752 HB VAL 96 HB VAL 96 -12.983 8.505 -1.681 753 HG11 VAL 96 1HG1 VAL 96 -11.265 6.810 -3.403 754 HG12 VAL 96 2HG1 VAL 96 -11.646 8.436 -3.966 755 HG13 VAL 96 3HG1 VAL 96 -12.945 7.299 -3.606 756 HG21 VAL 96 3HG2 VAL 96 -12.605 6.369 -0.818 757 HG22 VAL 96 1HG2 VAL 96 -11.462 7.387 0.058 758 HG23 VAL 96 2HG2 VAL 96 -10.903 6.382 -1.280 759 H MET 97 H MET 97 -9.745 9.122 -3.873 760 HA MET 97 HA MET 97 -7.663 7.355 -3.093 761 HB2 MET 97 2HB MET 97 -8.249 7.282 -5.372 762 HB3 MET 97 1HB MET 97 -8.176 9.030 -5.535 763 HG2 MET 97 2HG MET 97 -5.773 8.989 -5.378 764 HG3 MET 97 1HG MET 97 -5.792 7.254 -5.072 765 HE1 MET 97 3HE MET 97 -5.586 9.749 -8.492 766 HE2 MET 97 1HE MET 97 -6.743 10.063 -7.198 767 HE3 MET 97 2HE MET 97 -7.293 9.373 -8.726 768 H ASP 98 H ASP 98 -7.984 10.807 -3.321 769 HA ASP 98 HA ASP 98 -5.194 11.355 -2.933 770 HB2 ASP 98 2HB ASP 98 -7.670 13.074 -2.920 771 HB3 ASP 98 1HB ASP 98 -6.081 13.725 -2.528 772 H ASN 99 H ASN 99 -8.072 11.233 -0.902 773 HA ASN 99 HA ASN 99 -6.987 12.357 1.423 774 HB2 ASN 99 2HB ASN 99 -9.143 10.255 1.127 775 HB3 ASN 99 1HB ASN 99 -8.800 11.138 2.612 776 HD21 ASN 99 1HD2 ASN 99 -11.288 11.174 1.454 777 HD22 ASN 99 2HD2 ASN 99 -11.613 12.766 0.840 778 H ILE 100 H ILE 100 -7.182 8.957 0.404 779 HA ILE 100 HA ILE 100 -5.785 7.975 2.694 780 HB ILE 100 HB ILE 100 -6.357 6.670 0.030 781 HG12 ILE 100 2HG1 ILE 100 -8.310 7.331 1.493 782 HG13 ILE 100 1HG1 ILE 100 -8.207 5.616 1.106 783 HG21 ILE 100 1HG2 ILE 100 -5.992 4.734 2.048 784 HG22 ILE 100 2HG2 ILE 100 -4.618 5.835 2.136 785 HG23 ILE 100 3HG2 ILE 100 -4.998 5.020 0.620 786 HD11 ILE 100 3HD1 ILE 100 -7.105 5.284 3.327 787 HD12 ILE 100 1HD1 ILE 100 -8.791 5.797 3.390 788 HD13 ILE 100 2HD1 ILE 100 -7.503 6.961 3.696 789 H LYS 101 H LYS 101 -4.880 8.493 -0.705 790 HA LYS 101 HA LYS 101 -2.274 7.564 -0.608 791 HB2 LYS 101 2HB LYS 101 -3.450 8.179 -2.680 792 HB3 LYS 101 1HB LYS 101 -3.338 9.878 -2.236 793 HG2 LYS 101 2HG LYS 101 -0.758 9.304 -2.123 794 HG3 LYS 101 1HG LYS 101 -1.247 8.037 -3.251 795 HD2 LYS 101 2HD LYS 101 -0.793 9.733 -4.723 796 HD3 LYS 101 1HD LYS 101 -2.505 10.037 -4.420 797 HE2 LYS 101 2HE LYS 101 -2.101 11.944 -3.269 798 HE3 LYS 101 1HE LYS 101 -0.603 11.331 -2.572 799 HZ1 LYS 101 3HZ LYS 101 0.098 12.979 -4.017 800 HZ2 LYS 101 1HZ LYS 101 -1.034 12.580 -5.208 801 HZ3 LYS 101 2HZ LYS 101 0.302 11.577 -4.941 802 H MET 102 H MET 102 -3.530 10.744 0.297 803 HA MET 102 HA MET 102 -0.888 11.781 0.808 804 HB2 MET 102 2HB MET 102 -1.975 13.835 1.414 805 HB3 MET 102 1HB MET 102 -2.729 13.212 -0.047 806 HG2 MET 102 2HG MET 102 -4.579 13.807 1.127 807 HG3 MET 102 1HG MET 102 -4.403 12.140 1.669 808 HE1 MET 102 3HE MET 102 -3.930 15.984 4.017 809 HE2 MET 102 1HE MET 102 -5.426 15.473 3.235 810 HE3 MET 102 2HE MET 102 -3.985 15.781 2.265 811 H THR 103 H THR 103 -3.600 10.633 2.684 812 HA THR 103 HA THR 103 -2.526 11.348 5.216 813 HB THR 103 HB THR 103 -4.651 9.322 4.491 814 HG1 THR 103 1HG THR 103 -5.784 11.048 4.212 815 HG21 THR 103 3HG2 THR 103 -4.842 8.746 6.611 816 HG22 THR 103 1HG2 THR 103 -5.016 10.437 7.079 817 HG23 THR 103 2HG2 THR 103 -3.412 9.707 6.990 818 H LEU 104 H LEU 104 -2.435 8.371 3.300 819 HA LEU 104 HA LEU 104 -1.265 6.756 5.280 820 HB2 LEU 104 2HB LEU 104 -1.673 6.609 2.375 821 HB3 LEU 104 1HB LEU 104 -0.266 5.736 2.944 822 HG LEU 104 HG LEU 104 -1.599 4.355 4.380 823 HD11 LEU 104 1HD1 LEU 104 -3.338 5.387 5.345 824 HD12 LEU 104 2HD1 LEU 104 -4.237 4.840 3.931 825 HD13 LEU 104 3HD1 LEU 104 -3.581 6.476 3.980 826 HD21 LEU 104 3HD2 LEU 104 -1.871 3.130 2.542 827 HD22 LEU 104 1HD2 LEU 104 -2.106 4.559 1.536 828 HD23 LEU 104 2HD2 LEU 104 -3.473 3.852 2.397 829 H GLN 105 H GLN 105 0.269 8.456 2.542 830 HA GLN 105 HA GLN 105 2.917 7.936 3.191 831 HB2 GLN 105 2HB GLN 105 3.447 10.033 1.948 832 HB3 GLN 105 1HB GLN 105 2.365 8.951 1.081 833 HG2 GLN 105 2HG GLN 105 0.457 10.343 1.901 834 HG3 GLN 105 1HG GLN 105 1.644 11.485 2.528 835 HE21 GLN 105 1HE2 GLN 105 1.179 9.651 -0.478 836 HE22 GLN 105 2HE2 GLN 105 1.405 11.007 -1.538 837 H GLN 106 H GLN 106 0.653 10.131 4.645 838 HA GLN 106 HA GLN 106 2.460 11.824 5.976 839 HB2 GLN 106 2HB GLN 106 -0.379 11.319 6.013 840 HB3 GLN 106 1HB GLN 106 0.222 11.511 7.654 841 HG2 GLN 106 2HG GLN 106 0.756 13.695 7.353 842 HG3 GLN 106 1HG GLN 106 1.109 13.487 5.638 843 HE21 GLN 106 1HE2 GLN 106 -0.196 14.691 4.480 844 HE22 GLN 106 2HE2 GLN 106 -1.898 14.907 4.744 845 H ILE 107 H ILE 107 1.223 8.655 6.670 846 HA ILE 107 HA ILE 107 2.399 8.525 9.310 847 HB ILE 107 HB ILE 107 1.116 6.400 7.583 848 HG12 ILE 107 2HG1 ILE 107 -0.399 6.721 9.865 849 HG13 ILE 107 1HG1 ILE 107 0.118 8.366 9.511 850 HG21 ILE 107 1HG2 ILE 107 2.143 6.230 10.410 851 HG22 ILE 107 2HG2 ILE 107 2.717 5.327 9.008 852 HG23 ILE 107 3HG2 ILE 107 1.103 5.025 9.650 853 HD11 ILE 107 3HD1 ILE 107 -1.825 6.686 8.159 854 HD12 ILE 107 1HD1 ILE 107 -0.674 7.440 7.057 855 HD13 ILE 107 2HD1 ILE 107 -1.634 8.439 8.148 856 H ILE 108 H ILE 108 3.051 7.417 6.061 857 HA ILE 108 HA ILE 108 5.211 5.704 6.502 858 HB ILE 108 HB ILE 108 4.877 7.577 4.157 859 HG12 ILE 108 2HG1 ILE 108 3.613 4.892 4.706 860 HG13 ILE 108 1HG1 ILE 108 2.800 6.432 4.463 861 HG21 ILE 108 1HG2 ILE 108 7.038 6.344 4.382 862 HG22 ILE 108 2HG2 ILE 108 6.134 6.011 2.904 863 HG23 ILE 108 3HG2 ILE 108 6.123 4.843 4.226 864 HD11 ILE 108 3HD1 ILE 108 4.449 5.813 2.198 865 HD12 ILE 108 1HD1 ILE 108 2.713 6.109 2.279 866 HD13 ILE 108 2HD1 ILE 108 3.344 4.485 2.550 867 H SER 109 H SER 109 5.198 9.142 5.661 868 HA SER 109 HA SER 109 7.910 9.644 5.716 869 HB2 SER 109 2HB SER 109 5.485 11.314 6.167 870 HB3 SER 109 1HB SER 109 7.050 12.007 6.593 871 HG SER 109 HG SER 109 7.712 11.797 4.499 872 H ARG 110 H ARG 110 5.786 9.071 8.376 873 HA ARG 110 HA ARG 110 7.194 10.307 10.451 874 HB2 ARG 110 2HB ARG 110 5.671 7.705 10.642 875 HB3 ARG 110 1HB ARG 110 6.018 8.824 11.952 876 HG2 ARG 110 2HG ARG 110 4.630 10.526 10.801 877 HG3 ARG 110 1HG ARG 110 4.202 9.304 9.602 878 HD2 ARG 110 2HD ARG 110 2.455 9.453 11.260 879 HD3 ARG 110 1HD ARG 110 3.274 7.900 11.411 880 HE ARG 110 HE ARG 110 3.299 10.088 13.317 881 HH11 ARG 110 1HH1 ARG 110 4.700 7.040 12.338 882 HH12 ARG 110 2HH1 ARG 110 5.358 6.701 13.903 883 HH21 ARG 110 1HH2 ARG 110 4.167 9.640 15.371 884 HH22 ARG 110 2HH2 ARG 110 5.057 8.174 15.623 885 H TYR 111 H TYR 111 7.758 7.312 8.753 886 HA TYR 111 HA TYR 111 9.865 6.540 10.622 887 HB2 TYR 111 2HB TYR 111 9.263 4.973 8.150 888 HB3 TYR 111 1HB TYR 111 9.751 4.406 9.744 889 HD1 TYR 111 2HD TYR 111 7.965 4.823 11.651 890 HD2 TYR 111 1HD TYR 111 7.069 4.671 7.495 891 HE1 TYR 111 2HE TYR 111 5.621 4.301 12.181 892 HE2 TYR 111 1HE TYR 111 4.723 4.149 8.013 893 HH TYR 111 HH TYR 111 3.674 3.079 10.916 894 H LYS 112 H LYS 112 9.411 7.810 7.407 895 HA LYS 112 HA LYS 112 11.929 7.296 6.312 896 HB2 LYS 112 2HB LYS 112 9.931 8.191 5.088 897 HB3 LYS 112 1HB LYS 112 10.244 9.755 5.827 898 HG2 LYS 112 2HG LYS 112 11.451 10.176 4.003 899 HG3 LYS 112 1HG LYS 112 12.674 9.136 4.737 900 HD2 LYS 112 2HD LYS 112 10.521 8.245 2.818 901 HD3 LYS 112 1HD LYS 112 12.220 8.497 2.415 902 HE2 LYS 112 2HE LYS 112 11.247 6.541 4.491 903 HE3 LYS 112 1HE LYS 112 11.586 6.112 2.815 904 HZ1 LYS 112 3HZ LYS 112 13.554 7.260 4.721 905 HZ2 LYS 112 1HZ LYS 112 13.871 6.793 3.126 906 HZ3 LYS 112 2HZ LYS 112 13.457 5.630 4.282 907 H ASP 113 H ASP 113 10.789 10.208 8.022 908 HA ASP 113 HA ASP 113 13.245 11.561 8.007 909 HB2 ASP 113 2HB ASP 113 10.702 11.787 9.529 910 HB3 ASP 113 1HB ASP 113 12.116 12.581 10.215 911 H ALA 114 H ALA 114 11.956 9.095 10.120 912 HA ALA 114 HA ALA 114 13.944 9.423 12.162 913 HB1 ALA 114 1HB ALA 114 12.828 7.806 13.317 914 HB2 ALA 114 2HB ALA 114 12.478 6.859 11.871 915 HB3 ALA 114 3HB ALA 114 11.540 8.311 12.222 916 H ASP 115 H ASP 115 13.316 6.755 9.872 917 HA ASP 115 HA ASP 115 15.741 5.425 10.314 918 HB2 ASP 115 2HB ASP 115 13.641 4.559 9.135 919 HB3 ASP 115 1HB ASP 115 14.245 5.375 7.695 920 H TYR 90 1HT TYR 90 5.540 -6.068 -13.755 921 HA TYR 90 HA TYR 90 4.893 -5.215 -15.997 922 HB2 TYR 90 2HB TYR 90 2.854 -6.194 -16.928 923 HB3 TYR 90 1HB TYR 90 4.125 -7.408 -16.832 924 HD1 TYR 90 1HD TYR 90 1.041 -6.195 -15.170 925 HD2 TYR 90 2HD TYR 90 3.805 -9.398 -15.608 926 HE1 TYR 90 1HE TYR 90 -0.472 -7.665 -13.906 927 HE2 TYR 90 2HE TYR 90 2.301 -10.878 -14.346 928 HH TYR 90 HH TYR 90 -0.651 -10.591 -13.944 929 H ASP 91 H ASP 91 3.379 -6.340 -13.056 930 HA ASP 91 HA ASP 91 1.270 -4.453 -12.968 931 HB2 ASP 91 2HB ASP 91 2.610 -6.209 -10.937 932 HB3 ASP 91 1HB ASP 91 1.454 -4.986 -10.414 933 H SER 92 H SER 92 4.632 -4.352 -12.021 934 HA SER 92 HA SER 92 4.531 -2.075 -10.365 935 HB2 SER 92 2HB SER 92 6.996 -1.877 -10.989 936 HB3 SER 92 1HB SER 92 6.497 -3.408 -10.268 937 HG SER 92 HG SER 92 7.102 -4.367 -12.027 938 H GLU 93 H GLU 93 4.874 -2.461 -13.850 939 HA GLU 93 HA GLU 93 5.353 0.328 -14.329 940 HB2 GLU 93 2HB GLU 93 4.931 -2.093 -16.022 941 HB3 GLU 93 1HB GLU 93 4.694 -0.513 -16.755 942 HG2 GLU 93 2HG GLU 93 6.897 -0.924 -17.232 943 HG3 GLU 93 1HG GLU 93 7.027 0.014 -15.744 944 H GLU 94 H GLU 94 2.569 -1.777 -14.210 945 HA GLU 94 HA GLU 94 0.736 -0.084 -15.534 946 HB2 GLU 94 2HB GLU 94 0.524 -2.587 -14.863 947 HB3 GLU 94 1HB GLU 94 -0.070 -1.958 -13.332 948 HG2 GLU 94 2HG GLU 94 -1.900 -0.868 -14.415 949 HG3 GLU 94 1HG GLU 94 -1.256 -1.265 -16.007 950 H PHE 95 H PHE 95 1.922 -0.216 -12.251 951 HA PHE 95 HA PHE 95 0.539 2.298 -11.692 952 HB2 PHE 95 2HB PHE 95 0.537 0.075 -9.654 953 HB3 PHE 95 1HB PHE 95 -0.373 1.580 -9.622 954 HD1 PHE 95 2HD PHE 95 -2.337 1.874 -11.060 955 HD2 PHE 95 1HD PHE 95 -0.238 -1.824 -10.873 956 HE1 PHE 95 2HE PHE 95 -4.254 0.737 -12.104 957 HE2 PHE 95 1HE PHE 95 -2.150 -2.967 -11.917 958 HZ PHE 95 HZ PHE 95 -4.162 -1.687 -12.534 959 H GLU 96 H GLU 96 1.751 3.720 -10.570 960 HA GLU 96 HA GLU 96 4.409 2.812 -9.715 961 HB2 GLU 96 2HB GLU 96 3.324 5.408 -10.718 962 HB3 GLU 96 1HB GLU 96 4.728 5.433 -9.659 963 HG2 GLU 96 2HG GLU 96 5.626 5.427 -11.800 964 HG3 GLU 96 1HG GLU 96 5.759 3.750 -11.275 965 H ASP 97 H ASP 97 5.346 4.092 -7.838 966 HA ASP 97 HA ASP 97 3.394 4.041 -5.663 967 HB2 ASP 97 2HB ASP 97 6.417 4.158 -5.577 968 HB3 ASP 97 1HB ASP 97 5.360 4.005 -4.177 969 H VAL 98 H VAL 98 3.566 5.701 -3.953 970 HA VAL 98 HA VAL 98 4.066 8.345 -5.149 971 HB VAL 98 HB VAL 98 2.500 9.242 -3.477 972 HG11 VAL 98 1HG1 VAL 98 1.587 8.700 -5.614 973 HG12 VAL 98 2HG1 VAL 98 0.432 8.174 -4.390 974 HG13 VAL 98 3HG1 VAL 98 1.467 6.992 -5.192 975 HG21 VAL 98 3HG2 VAL 98 1.110 7.007 -2.574 976 HG22 VAL 98 1HG2 VAL 98 2.147 8.066 -1.619 977 HG23 VAL 98 2HG2 VAL 98 2.809 6.600 -2.341 978 H THR 99 H THR 99 5.881 9.280 -4.496 979 HA THR 99 HA THR 99 6.567 9.232 -1.657 980 HB THR 99 HB THR 99 9.053 8.981 -2.629 981 HG1 THR 99 1HG THR 99 7.503 7.319 -4.320 982 HG21 THR 99 3HG2 THR 99 7.835 6.341 -2.447 983 HG22 THR 99 1HG2 THR 99 7.445 7.404 -1.096 984 HG23 THR 99 2HG2 THR 99 9.129 7.068 -1.496 985 H ASP 100 H ASP 100 7.283 11.149 -0.937 986 HA ASP 100 HA ASP 100 7.329 13.377 -2.750 987 HB2 ASP 100 2HB ASP 100 8.056 13.376 0.182 988 HB3 ASP 100 1HB ASP 100 7.549 14.752 -0.792 989 H GLY 101 H GLY 101 9.236 15.065 -1.825 990 HA2 GLY 101 2HA GLY 101 11.814 13.747 -1.780 991 HA3 GLY 101 1HA GLY 101 11.467 14.612 -3.269 992 H ASN 102 H ASN 102 11.125 16.905 -3.166 993 HA ASN 102 HA ASN 102 11.868 18.242 -0.688 994 HB2 ASN 102 2HB ASN 102 13.577 18.116 -3.121 995 HB3 ASN 102 1HB ASN 102 13.472 19.664 -2.286 996 HD21 ASN 102 1HD2 ASN 102 14.177 16.243 -1.805 997 HD22 ASN 102 2HD2 ASN 102 15.294 16.472 -0.507 998 H GLU 103 H GLU 103 11.448 20.532 -0.717 999 HA GLU 103 HA GLU 103 10.161 22.353 -1.162 1000 HB2 GLU 103 2HB GLU 103 11.512 21.905 -3.438 1001 HB3 GLU 103 1HB GLU 103 9.876 21.680 -4.040 1002 HG2 GLU 103 2HG GLU 103 9.274 23.902 -3.190 1003 HG3 GLU 103 1HG GLU 103 10.935 24.126 -2.643 1004 H VAL 104 H VAL 104 7.989 23.034 -1.672 1005 HA VAL 104 HA VAL 104 6.055 21.058 -1.104 1006 HB VAL 104 HB VAL 104 4.383 22.833 -1.558 1007 HG11 VAL 104 1HG1 VAL 104 6.423 24.268 0.016 1008 HG12 VAL 104 2HG1 VAL 104 6.061 22.621 0.534 1009 HG13 VAL 104 3HG1 VAL 104 4.770 23.818 0.436 1010 HG21 VAL 104 3HG2 VAL 104 5.701 25.161 -1.859 1011 HG22 VAL 104 1HG2 VAL 104 5.023 24.244 -3.203 1012 HG23 VAL 104 2HG2 VAL 104 6.736 24.097 -2.811 Start of MODEL 12 1 H2 PRO 1 1HT PRO 1 -12.649 13.749 6.033 2 H3 PRO 1 2HT PRO 1 -13.673 12.976 7.063 3 HA PRO 1 HA PRO 1 -12.475 11.323 6.942 4 HB2 PRO 1 2HB PRO 1 -12.739 10.657 4.129 5 HB3 PRO 1 1HB PRO 1 -13.445 9.856 5.538 6 HG2 PRO 1 2HG PRO 1 -14.916 11.293 3.756 7 HG3 PRO 1 1HG PRO 1 -15.353 11.121 5.466 8 HD2 PRO 1 2HD PRO 1 -13.982 13.407 4.081 9 HD3 PRO 1 1HD PRO 1 -15.282 13.445 5.288 10 H SER 2 H SER 2 -10.436 12.205 7.274 11 HA SER 2 HA SER 2 -8.825 12.783 4.887 12 HB2 SER 2 2HB SER 2 -7.943 13.340 7.708 13 HB3 SER 2 1HB SER 2 -7.439 14.131 6.215 14 HG SER 2 HG SER 2 -9.695 14.552 7.784 15 H HIS 3 H HIS 3 -8.517 11.158 8.048 16 HA HIS 3 HA HIS 3 -6.375 9.498 6.941 17 HB2 HIS 3 2HB HIS 3 -7.196 10.311 9.684 18 HB3 HIS 3 1HB HIS 3 -6.427 8.738 9.502 19 HD1 HIS 3 1HD HIS 3 -5.655 12.200 8.094 20 HD2 HIS 3 2HD HIS 3 -3.797 9.012 10.006 21 HE1 HIS 3 1HE HIS 3 -3.240 12.865 8.319 22 HE2 HIS 3 2HE HIS 3 -2.152 10.956 9.551 23 H SER 4 H SER 4 -8.983 9.007 6.007 24 HA SER 4 HA SER 4 -9.164 6.240 6.267 25 HB2 SER 4 2HB SER 4 -11.314 6.066 7.553 26 HB3 SER 4 1HB SER 4 -9.931 6.560 8.530 27 HG SER 4 HG SER 4 -10.834 8.439 8.859 28 H GLY 5 H GLY 5 -10.245 5.498 4.538 29 HA2 GLY 5 2HA GLY 5 -12.493 7.036 3.472 30 HA3 GLY 5 1HA GLY 5 -11.109 6.801 2.413 31 H ALA 6 H ALA 6 -13.703 5.851 1.823 32 HA ALA 6 HA ALA 6 -13.943 3.099 2.520 33 HB1 ALA 6 1HB ALA 6 -15.556 3.164 0.469 34 HB2 ALA 6 2HB ALA 6 -15.317 4.908 0.586 35 HB3 ALA 6 3HB ALA 6 -15.975 4.014 1.957 36 H ALA 7 H ALA 7 -12.358 1.753 1.961 37 HA ALA 7 HA ALA 7 -11.336 1.862 -0.802 38 HB1 ALA 7 1HB ALA 7 -9.708 2.208 1.095 39 HB2 ALA 7 2HB ALA 7 -9.300 0.915 -0.034 40 HB3 ALA 7 3HB ALA 7 -9.998 0.524 1.537 41 H ILE 8 H ILE 8 -11.024 -0.083 -1.957 42 HA ILE 8 HA ILE 8 -12.837 -2.235 -1.122 43 HB ILE 8 HB ILE 8 -11.595 -1.912 -3.846 44 HG12 ILE 8 2HG1 ILE 8 -12.806 0.071 -3.771 45 HG13 ILE 8 1HG1 ILE 8 -13.994 -1.051 -4.414 46 HG21 ILE 8 1HG2 ILE 8 -13.394 -3.345 -4.582 47 HG22 ILE 8 2HG2 ILE 8 -14.075 -3.369 -2.956 48 HG23 ILE 8 3HG2 ILE 8 -12.507 -4.118 -3.268 49 HD11 ILE 8 3HD1 ILE 8 -14.547 0.651 -2.475 50 HD12 ILE 8 1HD1 ILE 8 -13.939 -0.668 -1.480 51 HD13 ILE 8 2HD1 ILE 8 -15.293 -0.941 -2.571 52 H PHE 9 H PHE 9 -12.186 -4.383 -1.062 53 HA PHE 9 HA PHE 9 -9.364 -4.969 -1.561 54 HB2 PHE 9 2HB PHE 9 -9.690 -4.359 0.874 55 HB3 PHE 9 1HB PHE 9 -10.714 -5.783 1.015 56 HD1 PHE 9 2HD PHE 9 -7.501 -5.271 -0.793 57 HD2 PHE 9 1HD PHE 9 -9.570 -7.299 2.325 58 HE1 PHE 9 2HE PHE 9 -5.509 -6.654 -0.376 59 HE2 PHE 9 1HE PHE 9 -7.582 -8.685 2.747 60 HZ PHE 9 HZ PHE 9 -5.548 -8.364 1.396 61 H GLU 10 H GLU 10 -9.014 -6.987 -2.354 62 HA GLU 10 HA GLU 10 -9.527 -8.948 -3.399 63 HB2 GLU 10 2HB GLU 10 -10.839 -9.109 -0.731 64 HB3 GLU 10 1HB GLU 10 -11.233 -10.353 -1.909 65 HG2 GLU 10 2HG GLU 10 -8.375 -9.699 -1.392 66 HG3 GLU 10 1HG GLU 10 -9.264 -10.675 -0.225 67 H LYS 11 H LYS 11 -11.184 -6.608 -4.034 68 HA LYS 11 HA LYS 11 -12.814 -6.245 -5.600 69 HB2 LYS 11 2HB LYS 11 -13.874 -9.033 -5.204 70 HB3 LYS 11 1HB LYS 11 -14.052 -7.982 -6.602 71 HG2 LYS 11 2HG LYS 11 -12.217 -8.798 -7.533 72 HG3 LYS 11 1HG LYS 11 -11.271 -8.483 -6.078 73 HD2 LYS 11 2HD LYS 11 -11.446 -10.614 -5.347 74 HD3 LYS 11 1HD LYS 11 -13.105 -10.784 -5.927 75 HE2 LYS 11 2HE LYS 11 -12.458 -11.518 -7.981 76 HE3 LYS 11 1HE LYS 11 -10.965 -10.580 -7.967 77 HZ1 LYS 11 3HZ LYS 11 -10.556 -12.970 -7.822 78 HZ2 LYS 11 1HZ LYS 11 -11.446 -13.048 -6.385 79 HZ3 LYS 11 2HZ LYS 11 -10.003 -12.166 -6.441 80 H VAL 12 H VAL 12 -13.173 -6.923 -2.396 81 HA VAL 12 HA VAL 12 -16.047 -6.340 -2.417 82 HB VAL 12 HB VAL 12 -15.294 -8.350 -1.150 83 HG11 VAL 12 1HG1 VAL 12 -14.425 -7.589 1.243 84 HG12 VAL 12 2HG1 VAL 12 -13.655 -6.347 0.262 85 HG13 VAL 12 3HG1 VAL 12 -13.343 -8.048 -0.068 86 HG21 VAL 12 3HG2 VAL 12 -17.266 -6.616 -0.587 87 HG22 VAL 12 1HG2 VAL 12 -16.385 -6.590 0.942 88 HG23 VAL 12 2HG2 VAL 12 -17.001 -8.115 0.304 89 H SER 13 H SER 13 -16.808 -4.463 -1.642 90 HA SER 13 HA SER 13 -14.946 -2.363 -1.154 91 HB2 SER 13 2HB SER 13 -17.887 -2.135 -0.579 92 HB3 SER 13 1HB SER 13 -16.776 -0.906 -1.180 93 HG SER 13 HG SER 13 -16.621 -2.340 -3.100 94 H GLY 14 H GLY 14 -14.907 -0.999 0.735 95 HA2 GLY 14 2HA GLY 14 -16.071 -1.857 3.198 96 HA3 GLY 14 1HA GLY 14 -14.372 -2.295 3.097 97 H ILE 15 H ILE 15 -13.829 -0.912 4.807 98 HA ILE 15 HA ILE 15 -13.707 1.915 4.012 99 HB ILE 15 HB ILE 15 -14.150 1.140 6.878 100 HG12 ILE 15 2HG1 ILE 15 -16.038 0.291 5.457 101 HG13 ILE 15 1HG1 ILE 15 -16.512 1.482 6.662 102 HG21 ILE 15 1HG2 ILE 15 -13.375 3.316 6.792 103 HG22 ILE 15 2HG2 ILE 15 -15.130 3.540 6.793 104 HG23 ILE 15 3HG2 ILE 15 -14.228 3.666 5.282 105 HD11 ILE 15 3HD1 ILE 15 -17.483 1.637 4.292 106 HD12 ILE 15 1HD1 ILE 15 -15.909 2.307 3.854 107 HD13 ILE 15 2HD1 ILE 15 -16.903 3.112 5.068 108 H ILE 16 H ILE 16 -11.671 2.555 3.963 109 HA ILE 16 HA ILE 16 -9.691 1.086 5.532 110 HB ILE 16 HB ILE 16 -9.649 2.478 2.964 111 HG12 ILE 16 2HG1 ILE 16 -7.844 0.457 4.301 112 HG13 ILE 16 1HG1 ILE 16 -9.185 0.103 3.222 113 HG21 ILE 16 1HG2 ILE 16 -7.243 2.867 4.731 114 HG22 ILE 16 2HG2 ILE 16 -8.379 4.141 4.279 115 HG23 ILE 16 3HG2 ILE 16 -7.415 3.339 3.041 116 HD11 ILE 16 3HD1 ILE 16 -6.448 0.694 2.600 117 HD12 ILE 16 1HD1 ILE 16 -7.533 1.817 1.780 118 HD13 ILE 16 2HD1 ILE 16 -7.730 0.079 1.557 119 H ALA 17 H ALA 17 -8.957 1.903 7.356 120 HA ALA 17 HA ALA 17 -8.934 4.812 7.712 121 HB1 ALA 17 1HB ALA 17 -10.130 4.783 9.724 122 HB2 ALA 17 2HB ALA 17 -10.005 3.029 9.875 123 HB3 ALA 17 3HB ALA 17 -11.052 3.737 8.637 124 H ILE 18 H ILE 18 -7.180 5.565 8.714 125 HA ILE 18 HA ILE 18 -5.145 3.668 9.531 126 HB ILE 18 HB ILE 18 -4.993 6.682 9.431 127 HG12 ILE 18 2HG1 ILE 18 -3.545 5.941 7.323 128 HG13 ILE 18 1HG1 ILE 18 -4.645 4.568 7.357 129 HG21 ILE 18 1HG2 ILE 18 -2.713 4.727 9.346 130 HG22 ILE 18 2HG2 ILE 18 -3.326 5.400 10.857 131 HG23 ILE 18 3HG2 ILE 18 -2.658 6.467 9.623 132 HD11 ILE 18 3HD1 ILE 18 -5.218 6.629 5.914 133 HD12 ILE 18 1HD1 ILE 18 -5.719 7.350 7.443 134 HD13 ILE 18 2HD1 ILE 18 -6.487 5.867 6.874 135 H ASN 19 H ASN 19 -4.813 3.066 11.554 136 HA ASN 19 HA ASN 19 -6.169 4.428 13.729 137 HB2 ASN 19 2HB ASN 19 -5.739 1.810 13.279 138 HB3 ASN 19 1HB ASN 19 -4.339 2.161 14.287 139 HD21 ASN 19 1HD2 ASN 19 -4.765 3.205 16.363 140 HD22 ASN 19 2HD2 ASN 19 -6.219 2.808 17.206 141 H GLU 20 H GLU 20 -5.092 6.350 14.036 142 HA GLU 20 HA GLU 20 -2.214 6.269 14.530 143 HB2 GLU 20 2HB GLU 20 -4.166 8.550 14.217 144 HB3 GLU 20 1HB GLU 20 -2.484 8.782 14.671 145 HG2 GLU 20 2HG GLU 20 -2.161 7.279 12.471 146 HG3 GLU 20 1HG GLU 20 -3.670 8.095 12.067 147 H ASP 21 H ASP 21 -4.271 5.152 16.387 148 HA ASP 21 HA ASP 21 -3.854 6.877 18.722 149 HB2 ASP 21 2HB ASP 21 -5.907 4.849 17.978 150 HB3 ASP 21 1HB ASP 21 -5.518 5.031 19.687 151 H VAL 22 H VAL 22 -2.547 4.189 17.218 152 HA VAL 22 HA VAL 22 -1.643 2.997 19.754 153 HB VAL 22 HB VAL 22 -0.954 1.062 18.464 154 HG11 VAL 22 1HG1 VAL 22 -3.503 1.729 19.026 155 HG12 VAL 22 2HG1 VAL 22 -3.027 0.183 18.323 156 HG13 VAL 22 3HG1 VAL 22 -3.623 1.478 17.285 157 HG21 VAL 22 3HG2 VAL 22 -1.677 2.781 16.112 158 HG22 VAL 22 1HG2 VAL 22 -1.669 1.021 15.992 159 HG23 VAL 22 2HG2 VAL 22 -0.190 1.884 16.418 160 H SER 23 H SER 23 0.709 1.893 19.210 161 HA SER 23 HA SER 23 2.492 4.093 19.170 162 HB2 SER 23 2HB SER 23 2.687 1.213 19.578 163 HB3 SER 23 1HB SER 23 4.062 1.849 18.673 164 HG SER 23 HG SER 23 4.755 2.754 20.431 165 HA PRO 24 HA PRO 24 3.621 2.970 14.741 166 HB2 PRO 24 2HB PRO 24 3.269 0.565 13.707 167 HB3 PRO 24 1HB PRO 24 4.506 0.815 14.946 168 HG2 PRO 24 2HG PRO 24 1.801 -0.421 15.192 169 HG3 PRO 24 1HG PRO 24 3.317 -0.876 15.987 170 HD2 PRO 24 2HD PRO 24 1.269 0.700 17.098 171 HD3 PRO 24 1HD PRO 24 2.918 0.522 17.728 172 H ALA 25 H ALA 25 2.168 4.274 13.728 173 HA ALA 25 HA ALA 25 -0.561 4.011 13.573 174 HB1 ALA 25 1HB ALA 25 1.471 5.506 12.085 175 HB2 ALA 25 2HB ALA 25 -0.074 6.036 12.753 176 HB3 ALA 25 3HB ALA 25 -0.022 5.218 11.191 177 H GLU 26 H GLU 26 -1.781 2.441 12.815 178 HA GLU 26 HA GLU 26 -0.821 0.857 10.524 179 HB2 GLU 26 2HB GLU 26 -2.394 -0.892 11.354 180 HB3 GLU 26 1HB GLU 26 -1.092 -0.513 12.472 181 HG2 GLU 26 2HG GLU 26 -2.570 0.800 13.835 182 HG3 GLU 26 1HG GLU 26 -3.876 0.607 12.667 183 H LEU 27 H LEU 27 -2.588 -0.053 9.153 184 HA LEU 27 HA LEU 27 -4.751 1.903 8.765 185 HB2 LEU 27 2HB LEU 27 -3.154 2.012 6.947 186 HB3 LEU 27 1HB LEU 27 -3.219 0.274 6.735 187 HG LEU 27 HG LEU 27 -5.863 1.371 6.461 188 HD11 LEU 27 1HD1 LEU 27 -3.678 2.705 4.897 189 HD12 LEU 27 2HD1 LEU 27 -5.018 3.442 5.776 190 HD13 LEU 27 3HD1 LEU 27 -5.323 2.570 4.273 191 HD21 LEU 27 3HD2 LEU 27 -4.202 0.246 4.241 192 HD22 LEU 27 1HD2 LEU 27 -5.926 0.052 4.559 193 HD23 LEU 27 2HD2 LEU 27 -4.743 -0.787 5.565 194 H THR 28 H THR 28 -6.588 1.003 9.501 195 HA THR 28 HA THR 28 -6.952 -1.892 9.205 196 HB THR 28 HB THR 28 -8.726 -0.108 10.840 197 HG1 THR 28 1HG THR 28 -7.320 -0.216 12.508 198 HG21 THR 28 3HG2 THR 28 -9.232 -2.565 10.460 199 HG22 THR 28 1HG2 THR 28 -9.183 -2.000 12.129 200 HG23 THR 28 2HG2 THR 28 -7.818 -2.893 11.461 201 H TRP 29 H TRP 29 -8.070 -2.541 7.506 202 HA TRP 29 HA TRP 29 -10.046 -0.822 6.272 203 HB2 TRP 29 2HB TRP 29 -8.549 -1.954 4.762 204 HB3 TRP 29 1HB TRP 29 -8.899 -3.511 5.506 205 HD1 TRP 29 HD TRP 29 -10.734 -0.783 3.499 206 HE1 TRP 29 1HE TRP 29 -12.544 -1.920 2.045 207 HE3 TRP 29 3HE TRP 29 -10.180 -5.565 5.166 208 HZ2 TRP 29 2HZ TRP 29 -13.598 -4.535 1.681 209 HZ3 TRP 29 3HZ TRP 29 -11.627 -7.324 4.238 210 HH2 TRP 29 HH TRP 29 -13.294 -6.817 2.536 211 H ARG 30 H ARG 30 -12.014 -0.847 7.158 212 HA ARG 30 HA ARG 30 -13.075 -3.405 8.161 213 HB2 ARG 30 2HB ARG 30 -12.907 -1.090 9.531 214 HB3 ARG 30 1HB ARG 30 -14.481 -0.864 8.779 215 HG2 ARG 30 2HG ARG 30 -15.433 -2.617 9.924 216 HG3 ARG 30 1HG ARG 30 -13.885 -3.421 10.192 217 HD2 ARG 30 2HD ARG 30 -14.931 -0.948 11.558 218 HD3 ARG 30 1HD ARG 30 -14.632 -2.528 12.282 219 HE ARG 30 HE ARG 30 -12.208 -1.765 11.292 220 HH11 ARG 30 1HH1 ARG 30 -14.516 -0.347 13.492 221 HH12 ARG 30 2HH1 ARG 30 -13.313 0.498 14.407 222 HH21 ARG 30 1HH2 ARG 30 -10.625 -0.656 12.495 223 HH22 ARG 30 2HH2 ARG 30 -11.103 0.323 13.841 224 H SER 31 H SER 31 -14.388 -4.386 6.768 225 HA SER 31 HA SER 31 -15.362 -3.428 4.406 226 HB2 SER 31 2HB SER 31 -17.010 -5.248 4.460 227 HB3 SER 31 1HB SER 31 -15.443 -5.802 5.047 228 HG SER 31 HG SER 31 -16.281 -5.425 7.196 229 H THR 32 H THR 32 -17.637 -3.007 3.745 230 HA THR 32 HA THR 32 -18.692 -0.824 5.240 231 HB THR 32 HB THR 32 -20.525 -1.756 3.258 232 HG1 THR 32 1HG THR 32 -19.293 -2.357 1.679 233 HG21 THR 32 3HG2 THR 32 -20.134 0.605 3.916 234 HG22 THR 32 1HG2 THR 32 -20.113 0.322 2.175 235 HG23 THR 32 2HG2 THR 32 -18.598 0.535 3.052 236 H ASP 33 H ASP 33 -19.630 -4.111 4.571 237 HA ASP 33 HA ASP 33 -22.031 -3.921 6.136 238 HB2 ASP 33 2HB ASP 33 -21.410 -5.467 4.028 239 HB3 ASP 33 1HB ASP 33 -21.012 -6.582 5.331 240 H GLY 34 H GLY 34 -18.805 -5.188 6.486 241 HA2 GLY 34 2HA GLY 34 -17.783 -5.265 8.665 242 HA3 GLY 34 1HA GLY 34 -19.363 -5.626 9.344 243 H ASP 35 H ASP 35 -18.317 -7.216 6.444 244 HA ASP 35 HA ASP 35 -18.140 -9.727 7.950 245 HB2 ASP 35 2HB ASP 35 -19.709 -9.188 5.829 246 HB3 ASP 35 1HB ASP 35 -18.279 -9.782 4.989 247 H LYS 36 H LYS 36 -16.272 -7.492 6.156 248 HA LYS 36 HA LYS 36 -14.025 -9.394 6.160 249 HB2 LYS 36 2HB LYS 36 -14.483 -7.262 4.070 250 HB3 LYS 36 1HB LYS 36 -13.208 -8.473 4.084 251 HG2 LYS 36 2HG LYS 36 -15.616 -9.897 4.230 252 HG3 LYS 36 1HG LYS 36 -15.866 -8.636 3.021 253 HD2 LYS 36 2HD LYS 36 -14.403 -9.560 1.573 254 HD3 LYS 36 1HD LYS 36 -13.286 -10.042 2.851 255 HE2 LYS 36 2HE LYS 36 -14.167 -12.017 1.800 256 HE3 LYS 36 1HE LYS 36 -14.824 -11.895 3.432 257 HZ1 LYS 36 3HZ LYS 36 -16.736 -10.658 2.145 258 HZ2 LYS 36 1HZ LYS 36 -16.712 -12.346 2.278 259 HZ3 LYS 36 2HZ LYS 36 -16.177 -11.601 0.857 260 H VAL 37 H VAL 37 -12.086 -8.649 6.873 261 HA VAL 37 HA VAL 37 -11.788 -5.801 7.430 262 HB VAL 37 HB VAL 37 -12.623 -7.477 9.441 263 HG11 VAL 37 1HG1 VAL 37 -9.671 -7.057 9.873 264 HG12 VAL 37 2HG1 VAL 37 -10.409 -8.599 9.442 265 HG13 VAL 37 3HG1 VAL 37 -10.811 -7.826 10.976 266 HG21 VAL 37 3HG2 VAL 37 -11.008 -4.950 9.722 267 HG22 VAL 37 1HG2 VAL 37 -12.097 -5.630 10.931 268 HG23 VAL 37 2HG2 VAL 37 -12.739 -5.042 9.398 269 H HIS 38 H HIS 38 -9.585 -5.172 7.921 270 HA HIS 38 HA HIS 38 -7.454 -7.076 7.589 271 HB2 HIS 38 2HB HIS 38 -8.379 -6.410 5.230 272 HB3 HIS 38 1HB HIS 38 -7.505 -4.908 5.516 273 HD1 HIS 38 1HD HIS 38 -6.700 -8.631 5.723 274 HD2 HIS 38 2HD HIS 38 -4.996 -5.029 4.542 275 HE1 HIS 38 1HE HIS 38 -4.432 -9.225 4.814 276 HE2 HIS 38 2HE HIS 38 -3.455 -7.041 4.026 277 H THR 39 H THR 39 -5.443 -6.250 8.212 278 HA THR 39 HA THR 39 -5.431 -3.448 9.110 279 HB THR 39 HB THR 39 -4.114 -5.629 10.707 280 HG1 THR 39 1HG THR 39 -6.755 -4.653 11.038 281 HG21 THR 39 3HG2 THR 39 -3.359 -3.605 11.511 282 HG22 THR 39 1HG2 THR 39 -4.740 -3.946 12.555 283 HG23 THR 39 2HG2 THR 39 -4.901 -2.798 11.226 284 H VAL 40 H VAL 40 -3.663 -2.318 8.595 285 HA VAL 40 HA VAL 40 -1.275 -3.788 7.690 286 HB VAL 40 HB VAL 40 -2.721 -1.545 6.362 287 HG11 VAL 40 1HG1 VAL 40 -0.595 -0.511 6.653 288 HG12 VAL 40 2HG1 VAL 40 -0.658 -1.106 4.993 289 HG13 VAL 40 3HG1 VAL 40 0.252 -1.995 6.216 290 HG21 VAL 40 3HG2 VAL 40 -3.137 -3.581 5.342 291 HG22 VAL 40 1HG2 VAL 40 -1.481 -4.145 5.598 292 HG23 VAL 40 2HG2 VAL 40 -1.821 -2.922 4.368 293 H VAL 41 H VAL 41 0.613 -3.112 8.482 294 HA VAL 41 HA VAL 41 0.487 -0.793 10.266 295 HB VAL 41 HB VAL 41 2.474 -3.065 10.213 296 HG11 VAL 41 1HG1 VAL 41 2.933 -1.723 12.545 297 HG12 VAL 41 2HG1 VAL 41 2.628 -0.396 11.425 298 HG13 VAL 41 3HG1 VAL 41 3.908 -1.559 11.084 299 HG21 VAL 41 3HG2 VAL 41 1.453 -3.133 12.653 300 HG22 VAL 41 1HG2 VAL 41 0.651 -3.924 11.294 301 HG23 VAL 41 2HG2 VAL 41 0.098 -2.340 11.844 302 H LEU 42 H LEU 42 0.978 1.004 9.243 303 HA LEU 42 HA LEU 42 2.484 1.303 6.946 304 HB2 LEU 42 2HB LEU 42 1.870 3.202 9.195 305 HB3 LEU 42 1HB LEU 42 2.802 3.704 7.798 306 HG LEU 42 HG LEU 42 0.542 4.383 7.444 307 HD11 LEU 42 1HD1 LEU 42 0.429 2.000 5.733 308 HD12 LEU 42 2HD1 LEU 42 1.942 2.905 5.661 309 HD13 LEU 42 3HD1 LEU 42 0.413 3.711 5.307 310 HD21 LEU 42 3HD2 LEU 42 -0.324 1.521 7.826 311 HD22 LEU 42 1HD2 LEU 42 -1.354 2.929 7.561 312 HD23 LEU 42 2HD2 LEU 42 -0.454 2.766 9.068 313 H SER 43 H SER 43 3.556 0.847 10.206 314 HA SER 43 HA SER 43 6.122 1.951 10.061 315 HB2 SER 43 2HB SER 43 4.835 0.965 12.096 316 HB3 SER 43 1HB SER 43 5.567 -0.564 11.606 317 HG SER 43 HG SER 43 7.377 0.089 12.431 318 H THR 44 H THR 44 4.833 -1.056 8.906 319 HA THR 44 HA THR 44 7.479 -2.003 8.110 320 HB THR 44 HB THR 44 6.576 -4.123 7.879 321 HG1 THR 44 1HG THR 44 3.991 -3.007 7.570 322 HG21 THR 44 3HG2 THR 44 6.247 -3.458 10.211 323 HG22 THR 44 1HG2 THR 44 5.019 -4.600 9.664 324 HG23 THR 44 2HG2 THR 44 4.628 -2.885 9.805 325 H ILE 45 H ILE 45 4.498 -0.794 6.832 326 HA ILE 45 HA ILE 45 4.613 -1.436 4.177 327 HB ILE 45 HB ILE 45 3.748 1.179 5.411 328 HG12 ILE 45 2HG1 ILE 45 2.443 -0.683 6.204 329 HG13 ILE 45 1HG1 ILE 45 1.472 0.203 5.032 330 HG21 ILE 45 1HG2 ILE 45 2.506 1.588 3.340 331 HG22 ILE 45 2HG2 ILE 45 3.233 0.151 2.623 332 HG23 ILE 45 3HG2 ILE 45 4.244 1.530 3.054 333 HD11 ILE 45 3HD1 ILE 45 1.068 -1.901 4.310 334 HD12 ILE 45 1HD1 ILE 45 2.619 -2.515 4.882 335 HD13 ILE 45 2HD1 ILE 45 2.536 -1.584 3.386 336 H ASP 46 H ASP 46 6.571 -1.500 3.183 337 HA ASP 46 HA ASP 46 8.638 0.355 3.421 338 HB2 ASP 46 2HB ASP 46 8.401 -2.027 2.188 339 HB3 ASP 46 1HB ASP 46 8.300 -0.966 0.786 340 H LYS 47 H LYS 47 5.760 0.388 1.434 341 HA LYS 47 HA LYS 47 5.930 3.157 0.952 342 HB2 LYS 47 2HB LYS 47 6.080 2.794 -1.644 343 HB3 LYS 47 1HB LYS 47 7.539 2.949 -0.679 344 HG2 LYS 47 2HG LYS 47 7.506 0.387 -0.574 345 HG3 LYS 47 1HG LYS 47 6.348 0.492 -1.902 346 HD2 LYS 47 2HD LYS 47 7.931 1.608 -3.293 347 HD3 LYS 47 1HD LYS 47 9.055 1.812 -1.948 348 HE2 LYS 47 2HE LYS 47 9.300 -0.635 -1.814 349 HE3 LYS 47 1HE LYS 47 8.223 -0.803 -3.199 350 HZ1 LYS 47 3HZ LYS 47 10.169 -0.809 -4.306 351 HZ2 LYS 47 1HZ LYS 47 11.004 0.039 -3.103 352 HZ3 LYS 47 2HZ LYS 47 10.018 0.871 -4.196 353 H LEU 48 H LEU 48 4.274 3.829 -0.765 354 HA LEU 48 HA LEU 48 2.096 1.882 -0.966 355 HB2 LEU 48 2HB LEU 48 0.457 3.330 -0.119 356 HB3 LEU 48 1HB LEU 48 1.783 3.418 1.020 357 HG LEU 48 HG LEU 48 1.077 5.622 0.830 358 HD11 LEU 48 1HD1 LEU 48 3.211 5.528 -1.281 359 HD12 LEU 48 2HD1 LEU 48 3.535 5.296 0.432 360 HD13 LEU 48 3HD1 LEU 48 2.866 6.823 -0.139 361 HD21 LEU 48 3HD2 LEU 48 1.074 5.605 -2.159 362 HD22 LEU 48 1HD2 LEU 48 0.234 6.679 -1.044 363 HD23 LEU 48 2HD2 LEU 48 -0.322 5.020 -1.257 364 H GLN 49 H GLN 49 0.411 2.562 -2.542 365 HA GLN 49 HA GLN 49 1.489 4.360 -4.604 366 HB2 GLN 49 2HB GLN 49 0.160 1.745 -5.287 367 HB3 GLN 49 1HB GLN 49 1.049 2.822 -6.356 368 HG2 GLN 49 2HG GLN 49 3.090 2.313 -4.954 369 HG3 GLN 49 1HG GLN 49 2.137 1.030 -4.208 370 HE21 GLN 49 1HE2 GLN 49 3.743 -0.415 -5.043 371 HE22 GLN 49 2HE2 GLN 49 3.666 -0.935 -6.698 372 H ALA 50 H ALA 50 -0.116 5.075 -6.180 373 HA ALA 50 HA ALA 50 -2.906 4.739 -5.566 374 HB1 ALA 50 1HB ALA 50 -3.359 7.103 -5.113 375 HB2 ALA 50 2HB ALA 50 -1.626 7.434 -5.130 376 HB3 ALA 50 3HB ALA 50 -2.314 6.391 -3.884 377 H THR 51 H THR 51 -4.089 4.967 -7.361 378 HA THR 51 HA THR 51 -2.743 5.810 -9.799 379 HB THR 51 HB THR 51 -4.901 5.015 -10.869 380 HG1 THR 51 1HG THR 51 -6.124 5.249 -8.874 381 HG21 THR 51 3HG2 THR 51 -3.162 3.201 -9.257 382 HG22 THR 51 1HG2 THR 51 -3.242 3.417 -11.005 383 HG23 THR 51 2HG2 THR 51 -4.536 2.565 -10.162 384 HA PRO 52 HA PRO 52 -4.332 10.005 -9.033 385 HB2 PRO 52 2HB PRO 52 -3.299 10.794 -11.513 386 HB3 PRO 52 1HB PRO 52 -2.481 10.937 -9.954 387 HG2 PRO 52 2HG PRO 52 -2.273 8.774 -12.010 388 HG3 PRO 52 1HG PRO 52 -0.985 9.537 -11.058 389 HD2 PRO 52 2HD PRO 52 -1.848 7.152 -10.392 390 HD3 PRO 52 1HD PRO 52 -1.600 8.366 -9.116 391 H ALA 53 H ALA 53 -5.781 11.403 -10.255 392 HA ALA 53 HA ALA 53 -7.976 10.076 -11.334 393 HB1 ALA 53 1HB ALA 53 -7.104 12.895 -11.146 394 HB2 ALA 53 2HB ALA 53 -8.607 12.131 -10.624 395 HB3 ALA 53 3HB ALA 53 -8.363 12.527 -12.325 396 H SER 54 H SER 54 -4.994 10.871 -12.828 397 HA SER 54 HA SER 54 -5.925 11.128 -15.503 398 HB2 SER 54 2HB SER 54 -3.168 10.143 -14.916 399 HB3 SER 54 1HB SER 54 -3.705 11.332 -16.103 400 HG SER 54 HG SER 54 -3.190 12.781 -14.688 401 H SER 55 H SER 55 -5.392 8.449 -13.431 402 HA SER 55 HA SER 55 -5.193 6.552 -15.634 403 HB2 SER 55 2HB SER 55 -4.023 6.503 -13.218 404 HB3 SER 55 1HB SER 55 -5.486 5.597 -12.835 405 HG SER 55 HG SER 55 -3.316 4.732 -14.069 406 H GLU 56 H GLU 56 -6.863 5.446 -16.434 407 HA GLU 56 HA GLU 56 -9.513 6.047 -15.705 408 HB2 GLU 56 2HB GLU 56 -8.391 4.970 -17.895 409 HB3 GLU 56 1HB GLU 56 -8.994 3.503 -17.135 410 HG2 GLU 56 2HG GLU 56 -11.227 4.271 -17.209 411 HG3 GLU 56 1HG GLU 56 -10.724 5.907 -17.630 412 H LYS 57 H LYS 57 -7.297 3.632 -14.624 413 HA LYS 57 HA LYS 57 -9.417 2.207 -13.188 414 HB2 LYS 57 2HB LYS 57 -6.542 1.362 -13.157 415 HB3 LYS 57 1HB LYS 57 -7.991 0.375 -13.018 416 HG2 LYS 57 2HG LYS 57 -6.862 1.634 -15.504 417 HG3 LYS 57 1HG LYS 57 -7.001 -0.083 -15.127 418 HD2 LYS 57 2HD LYS 57 -9.348 1.786 -15.439 419 HD3 LYS 57 1HD LYS 57 -8.723 0.751 -16.725 420 HE2 LYS 57 2HE LYS 57 -9.387 -1.200 -15.646 421 HE3 LYS 57 1HE LYS 57 -9.492 -0.409 -14.074 422 HZ1 LYS 57 3HZ LYS 57 -11.434 0.804 -14.863 423 HZ2 LYS 57 1HZ LYS 57 -11.681 -0.867 -14.967 424 HZ3 LYS 57 2HZ LYS 57 -11.336 0.026 -16.361 425 H MET 58 H MET 58 -9.849 2.873 -11.197 426 HA MET 58 HA MET 58 -7.823 4.324 -9.682 427 HB2 MET 58 2HB MET 58 -10.624 3.795 -8.734 428 HB3 MET 58 1HB MET 58 -9.559 5.135 -8.332 429 HG2 MET 58 2HG MET 58 -9.838 5.460 -11.014 430 HG3 MET 58 1HG MET 58 -11.411 4.799 -10.573 431 HE1 MET 58 3HE MET 58 -9.347 8.104 -8.421 432 HE2 MET 58 1HE MET 58 -9.417 8.598 -10.112 433 HE3 MET 58 2HE MET 58 -8.677 7.059 -9.673 434 H MET 59 H MET 59 -6.435 3.029 -8.636 435 HA MET 59 HA MET 59 -7.457 1.248 -6.604 436 HB2 MET 59 2HB MET 59 -5.466 0.026 -8.478 437 HB3 MET 59 1HB MET 59 -6.563 -0.764 -7.357 438 HG2 MET 59 2HG MET 59 -8.437 -0.310 -8.794 439 HG3 MET 59 1HG MET 59 -7.419 0.637 -9.878 440 HE1 MET 59 3HE MET 59 -5.114 -0.358 -10.475 441 HE2 MET 59 1HE MET 59 -5.101 -1.791 -11.503 442 HE3 MET 59 2HE MET 59 -4.709 -1.932 -9.790 443 H LEU 60 H LEU 60 -6.081 1.040 -4.899 444 HA LEU 60 HA LEU 60 -3.506 2.451 -5.140 445 HB2 LEU 60 2HB LEU 60 -5.503 2.190 -2.957 446 HB3 LEU 60 1HB LEU 60 -3.816 2.303 -2.495 447 HG LEU 60 HG LEU 60 -3.649 4.437 -3.755 448 HD11 LEU 60 1HD1 LEU 60 -5.507 5.502 -4.694 449 HD12 LEU 60 2HD1 LEU 60 -6.643 4.396 -3.922 450 HD13 LEU 60 3HD1 LEU 60 -5.627 3.833 -5.249 451 HD21 LEU 60 3HD2 LEU 60 -4.263 5.602 -1.934 452 HD22 LEU 60 1HD2 LEU 60 -4.592 4.009 -1.251 453 HD23 LEU 60 2HD2 LEU 60 -5.905 4.959 -1.947 454 H ARG 61 H ARG 61 -1.724 1.623 -3.776 455 HA ARG 61 HA ARG 61 -1.886 -1.257 -3.241 456 HB2 ARG 61 2HB ARG 61 0.519 -0.078 -4.610 457 HB3 ARG 61 1HB ARG 61 0.077 -1.771 -4.441 458 HG2 ARG 61 2HG ARG 61 -2.031 -0.926 -5.844 459 HG3 ARG 61 1HG ARG 61 -0.831 0.244 -6.399 460 HD2 ARG 61 2HD ARG 61 -0.048 -2.619 -6.315 461 HD3 ARG 61 1HD ARG 61 -1.166 -2.111 -7.580 462 HE ARG 61 HE ARG 61 0.837 -0.283 -7.716 463 HH11 ARG 61 1HH1 ARG 61 0.737 -3.770 -7.798 464 HH12 ARG 61 2HH1 ARG 61 2.138 -3.910 -8.806 465 HH21 ARG 61 1HH2 ARG 61 2.680 -0.466 -9.042 466 HH22 ARG 61 2HH2 ARG 61 3.241 -2.035 -9.512 467 H LEU 62 H LEU 62 -0.498 -2.018 -1.632 468 HA LEU 62 HA LEU 62 0.997 0.041 -0.155 469 HB2 LEU 62 2HB LEU 62 -1.342 -1.105 0.706 470 HB3 LEU 62 1HB LEU 62 -0.140 -2.125 1.464 471 HG LEU 62 HG LEU 62 0.345 -0.586 3.021 472 HD11 LEU 62 1HD1 LEU 62 1.663 0.787 1.551 473 HD12 LEU 62 2HD1 LEU 62 0.659 1.819 2.569 474 HD13 LEU 62 3HD1 LEU 62 0.211 1.535 0.885 475 HD21 LEU 62 3HD2 LEU 62 -1.417 1.034 3.492 476 HD22 LEU 62 1HD2 LEU 62 -2.085 -0.535 3.038 477 HD23 LEU 62 2HD2 LEU 62 -2.072 0.789 1.872 478 H ILE 63 H ILE 63 3.082 -0.466 -0.292 479 HA ILE 63 HA ILE 63 3.926 -3.229 -0.579 480 HB ILE 63 HB ILE 63 5.547 -0.679 -0.523 481 HG12 ILE 63 2HG1 ILE 63 4.092 -0.817 -2.471 482 HG13 ILE 63 1HG1 ILE 63 5.765 -1.078 -2.956 483 HG21 ILE 63 1HG2 ILE 63 7.021 -2.376 0.158 484 HG22 ILE 63 2HG2 ILE 63 7.301 -2.202 -1.574 485 HG23 ILE 63 3HG2 ILE 63 6.330 -3.544 -0.970 486 HD11 ILE 63 3HD1 ILE 63 4.885 -2.802 -4.082 487 HD12 ILE 63 1HD1 ILE 63 3.464 -2.893 -3.040 488 HD13 ILE 63 2HD1 ILE 63 4.987 -3.615 -2.519 489 H GLY 64 H GLY 64 4.800 -4.460 0.970 490 HA2 GLY 64 2HA GLY 64 5.090 -3.256 3.642 491 HA3 GLY 64 1HA GLY 64 4.808 -4.960 3.320 492 H LYS 65 H LYS 65 6.784 -4.235 5.063 493 HA LYS 65 HA LYS 65 9.328 -3.939 3.839 494 HB2 LYS 65 2HB LYS 65 8.364 -3.833 6.422 495 HB3 LYS 65 1HB LYS 65 9.334 -5.299 6.430 496 HG2 LYS 65 2HG LYS 65 10.592 -3.306 7.132 497 HG3 LYS 65 1HG LYS 65 11.275 -4.079 5.699 498 HD2 LYS 65 2HD LYS 65 10.919 -2.273 4.423 499 HD3 LYS 65 1HD LYS 65 9.296 -2.028 5.072 500 HE2 LYS 65 2HE LYS 65 10.168 -0.881 6.987 501 HE3 LYS 65 1HE LYS 65 11.824 -1.283 6.532 502 HZ1 LYS 65 3HZ LYS 65 10.277 0.170 4.549 503 HZ2 LYS 65 1HZ LYS 65 11.895 0.354 5.008 504 HZ3 LYS 65 2HZ LYS 65 10.666 1.034 5.950 505 H VAL 66 H VAL 66 10.832 -5.426 3.211 506 HA VAL 66 HA VAL 66 9.989 -8.212 3.149 507 HB VAL 66 HB VAL 66 10.173 -7.084 0.982 508 HG11 VAL 66 1HG1 VAL 66 12.915 -6.941 0.530 509 HG12 VAL 66 2HG1 VAL 66 12.658 -6.156 2.088 510 HG13 VAL 66 3HG1 VAL 66 11.778 -5.599 0.666 511 HG21 VAL 66 3HG2 VAL 66 11.590 -9.503 1.756 512 HG22 VAL 66 1HG2 VAL 66 12.213 -8.788 0.269 513 HG23 VAL 66 2HG2 VAL 66 10.506 -9.209 0.396 514 H ASP 67 H ASP 67 12.992 -8.149 2.194 515 HA ASP 67 HA ASP 67 14.546 -7.879 4.516 516 HB2 ASP 67 2HB ASP 67 13.054 -10.013 4.892 517 HB3 ASP 67 1HB ASP 67 14.234 -10.777 3.831 518 H GLU 68 H GLU 68 16.756 -8.280 4.160 519 HA GLU 68 HA GLU 68 17.469 -9.065 1.415 520 HB2 GLU 68 2HB GLU 68 18.359 -6.661 2.981 521 HB3 GLU 68 1HB GLU 68 19.371 -7.330 1.708 522 HG2 GLU 68 2HG GLU 68 16.959 -7.142 0.459 523 HG3 GLU 68 1HG GLU 68 16.923 -5.745 1.533 524 H SER 69 H SER 69 17.488 -10.826 3.555 525 HA SER 69 HA SER 69 20.357 -11.373 3.765 526 HB2 SER 69 2HB SER 69 19.086 -10.318 5.905 527 HB3 SER 69 1HB SER 69 18.769 -12.032 6.179 528 HG SER 69 HG SER 69 21.037 -12.378 6.016 529 H LYS 70 H LYS 70 18.402 -12.498 2.038 530 HA LYS 70 HA LYS 70 18.526 -15.283 2.947 531 HB2 LYS 70 2HB LYS 70 16.098 -13.841 1.901 532 HB3 LYS 70 1HB LYS 70 16.246 -15.592 1.814 533 HG2 LYS 70 2HG LYS 70 16.473 -14.040 4.379 534 HG3 LYS 70 1HG LYS 70 14.958 -14.711 3.773 535 HD2 LYS 70 2HD LYS 70 17.425 -16.381 4.200 536 HD3 LYS 70 1HD LYS 70 16.219 -16.120 5.462 537 HE2 LYS 70 2HE LYS 70 14.643 -17.394 4.413 538 HE3 LYS 70 1HE LYS 70 15.261 -17.024 2.803 539 HZ1 LYS 70 3HZ LYS 70 15.637 -19.341 3.450 540 HZ2 LYS 70 1HZ LYS 70 16.588 -18.828 4.753 541 HZ3 LYS 70 2HZ LYS 70 17.090 -18.523 3.167 542 H LYS 71 H LYS 71 17.318 -13.486 0.110 543 HA LYS 71 HA LYS 71 17.763 -13.674 -2.113 544 HB2 LYS 71 2HB LYS 71 20.389 -14.477 -0.902 545 HB3 LYS 71 1HB LYS 71 20.155 -14.555 -2.643 546 HG2 LYS 71 2HG LYS 71 20.908 -12.448 -2.598 547 HG3 LYS 71 1HG LYS 71 19.254 -12.058 -2.127 548 HD2 LYS 71 2HD LYS 71 20.448 -10.971 -0.488 549 HD3 LYS 71 1HD LYS 71 20.149 -12.528 0.288 550 HE2 LYS 71 2HE LYS 71 22.345 -13.288 -0.201 551 HE3 LYS 71 1HE LYS 71 22.646 -11.929 -1.282 552 HZ1 LYS 71 3HZ LYS 71 23.667 -11.116 0.536 553 HZ2 LYS 71 1HZ LYS 71 22.769 -12.055 1.618 554 HZ3 LYS 71 2HZ LYS 71 22.105 -10.639 0.973 555 H ARG 72 H ARG 72 16.563 -15.118 -3.154 556 HA ARG 72 HA ARG 72 17.428 -17.921 -3.142 557 HB2 ARG 72 2HB ARG 72 15.029 -18.620 -3.101 558 HB3 ARG 72 1HB ARG 72 15.587 -17.885 -1.604 559 HG2 ARG 72 2HG ARG 72 13.797 -16.579 -1.721 560 HG3 ARG 72 1HG ARG 72 14.603 -15.748 -3.053 561 HD2 ARG 72 2HD ARG 72 12.782 -16.309 -4.234 562 HD3 ARG 72 1HD ARG 72 13.528 -17.904 -4.322 563 HE ARG 72 HE ARG 72 11.898 -17.522 -1.986 564 HH11 ARG 72 1HH1 ARG 72 11.897 -18.447 -5.351 565 HH12 ARG 72 2HH1 ARG 72 10.449 -19.388 -5.221 566 HH21 ARG 72 1HH2 ARG 72 9.993 -18.759 -1.813 567 HH22 ARG 72 2HH2 ARG 72 9.368 -19.564 -3.214 568 H LYS 73 H LYS 73 15.939 -19.122 -4.880 569 HA LYS 73 HA LYS 73 16.564 -17.850 -7.373 570 HB2 LYS 73 2HB LYS 73 14.972 -20.381 -6.961 571 HB3 LYS 73 1HB LYS 73 15.849 -19.893 -8.404 572 HG2 LYS 73 2HG LYS 73 17.037 -20.677 -5.753 573 HG3 LYS 73 1HG LYS 73 17.081 -21.604 -7.255 574 HD2 LYS 73 2HD LYS 73 18.147 -19.230 -8.052 575 HD3 LYS 73 1HD LYS 73 18.723 -19.329 -6.388 576 HE2 LYS 73 2HE LYS 73 20.262 -20.330 -8.085 577 HE3 LYS 73 1HE LYS 73 19.773 -21.429 -6.796 578 HZ1 LYS 73 3HZ LYS 73 19.712 -22.177 -9.278 579 HZ2 LYS 73 1HZ LYS 73 18.215 -21.389 -9.282 580 HZ3 LYS 73 2HZ LYS 73 18.497 -22.666 -8.209 581 H ASP 74 H ASP 74 14.524 -18.592 -9.058 582 HA ASP 74 HA ASP 74 12.259 -16.973 -8.091 583 HB2 ASP 74 2HB ASP 74 13.791 -15.957 -9.894 584 HB3 ASP 74 1HB ASP 74 13.070 -17.137 -10.985 585 H ASN 75 H ASN 75 12.078 -19.581 -7.582 586 HA ASN 75 HA ASN 75 10.477 -21.209 -7.734 587 HB2 ASN 75 2HB ASN 75 9.343 -19.247 -9.316 588 HB3 ASN 75 1HB ASN 75 9.430 -20.640 -10.394 589 HD21 ASN 75 1HD2 ASN 75 8.732 -20.151 -6.943 590 HD22 ASN 75 2HD2 ASN 75 7.256 -21.050 -6.942 591 H GLU 76 H GLU 76 11.818 -20.439 -10.888 592 HA GLU 76 HA GLU 76 12.145 -23.265 -11.471 593 HB2 GLU 76 2HB GLU 76 11.202 -21.907 -13.230 594 HB3 GLU 76 1HB GLU 76 12.558 -20.790 -13.146 595 HG2 GLU 76 2HG GLU 76 14.043 -22.642 -13.844 596 HG3 GLU 76 1HG GLU 76 12.610 -23.642 -14.074 597 H GLY 77 H GLY 77 14.059 -20.363 -11.148 598 HA2 GLY 77 2HA GLY 77 16.219 -21.201 -9.833 599 HA3 GLY 77 1HA GLY 77 16.549 -21.843 -11.434 600 H ASN 78 H ASN 78 14.854 -18.816 -11.007 601 HA ASN 78 HA ASN 78 17.035 -17.456 -12.377 602 HB2 ASN 78 2HB ASN 78 14.285 -17.259 -12.565 603 HB3 ASN 78 1HB ASN 78 14.722 -15.823 -11.644 604 HD21 ASN 78 1HD2 ASN 78 16.008 -17.641 -14.412 605 HD22 ASN 78 2HD2 ASN 78 16.264 -16.250 -15.419 606 H GLU 79 H GLU 79 18.606 -16.611 -11.188 607 HA GLU 79 HA GLU 79 18.550 -16.186 -8.440 608 HB2 GLU 79 2HB GLU 79 20.308 -15.244 -10.662 609 HB3 GLU 79 1HB GLU 79 20.495 -14.509 -9.076 610 HG2 GLU 79 2HG GLU 79 20.510 -17.482 -9.408 611 HG3 GLU 79 1HG GLU 79 21.962 -16.523 -9.689 612 H VAL 80 H VAL 80 16.749 -15.046 -7.776 613 HA VAL 80 HA VAL 80 16.846 -12.159 -8.318 614 HB VAL 80 HB VAL 80 14.411 -12.034 -8.409 615 HG11 VAL 80 1HG1 VAL 80 15.486 -14.055 -10.372 616 HG12 VAL 80 2HG1 VAL 80 15.678 -12.306 -10.494 617 HG13 VAL 80 3HG1 VAL 80 14.071 -13.027 -10.598 618 HG21 VAL 80 3HG2 VAL 80 13.228 -14.316 -8.790 619 HG22 VAL 80 1HG2 VAL 80 13.565 -13.777 -7.145 620 HG23 VAL 80 2HG2 VAL 80 14.607 -14.977 -7.911 621 H VAL 81 H VAL 81 14.922 -11.217 -6.726 622 HA VAL 81 HA VAL 81 15.605 -12.258 -4.055 623 HB VAL 81 HB VAL 81 14.965 -9.387 -4.735 624 HG11 VAL 81 1HG1 VAL 81 14.440 -10.179 -2.425 625 HG12 VAL 81 2HG1 VAL 81 15.631 -8.879 -2.497 626 HG13 VAL 81 3HG1 VAL 81 16.153 -10.541 -2.219 627 HG21 VAL 81 3HG2 VAL 81 17.140 -8.931 -5.077 628 HG22 VAL 81 1HG2 VAL 81 17.262 -10.653 -5.443 629 HG23 VAL 81 2HG2 VAL 81 17.676 -10.061 -3.834 630 HA PRO 82 HA PRO 82 11.306 -13.090 -3.384 631 HB2 PRO 82 2HB PRO 82 11.855 -12.095 -0.630 632 HB3 PRO 82 1HB PRO 82 11.120 -13.614 -1.153 633 HG2 PRO 82 2HG PRO 82 13.626 -13.558 -0.256 634 HG3 PRO 82 1HG PRO 82 13.168 -14.600 -1.616 635 HD2 PRO 82 2HD PRO 82 14.655 -12.012 -1.624 636 HD3 PRO 82 1HD PRO 82 14.872 -13.443 -2.652 637 H LYS 83 H LYS 83 9.687 -11.818 -4.002 638 HA LYS 83 HA LYS 83 9.773 -9.019 -4.005 639 HB2 LYS 83 2HB LYS 83 7.598 -11.037 -4.423 640 HB3 LYS 83 1HB LYS 83 7.194 -9.328 -4.334 641 HG2 LYS 83 2HG LYS 83 7.508 -9.429 -6.557 642 HG3 LYS 83 1HG LYS 83 9.202 -9.221 -6.108 643 HD2 LYS 83 2HD LYS 83 8.233 -11.999 -6.092 644 HD3 LYS 83 1HD LYS 83 8.270 -11.224 -7.678 645 HE2 LYS 83 2HE LYS 83 10.656 -10.827 -5.993 646 HE3 LYS 83 1HE LYS 83 10.383 -12.474 -6.558 647 HZ1 LYS 83 3HZ LYS 83 11.023 -10.066 -8.086 648 HZ2 LYS 83 1HZ LYS 83 10.011 -11.208 -8.819 649 HZ3 LYS 83 2HZ LYS 83 11.558 -11.656 -8.302 650 HA PRO 84 HA PRO 84 8.493 -8.000 0.100 651 HB2 PRO 84 2HB PRO 84 7.644 -5.487 -0.242 652 HB3 PRO 84 1HB PRO 84 9.351 -5.920 -0.411 653 HG2 PRO 84 2HG PRO 84 7.280 -5.529 -2.533 654 HG3 PRO 84 1HG PRO 84 8.945 -4.924 -2.477 655 HD2 PRO 84 2HD PRO 84 8.218 -7.134 -3.887 656 HD3 PRO 84 1HD PRO 84 9.829 -6.933 -3.170 657 H GLN 85 H GLN 85 6.725 -8.507 1.248 658 HA GLN 85 HA GLN 85 4.261 -9.133 0.100 659 HB2 GLN 85 2HB GLN 85 4.707 -8.320 2.975 660 HB3 GLN 85 1HB GLN 85 3.409 -9.324 2.348 661 HG2 GLN 85 2HG GLN 85 6.082 -10.334 1.744 662 HG3 GLN 85 1HG GLN 85 5.719 -10.237 3.466 663 HE21 GLN 85 1HE2 GLN 85 3.980 -11.141 0.502 664 HE22 GLN 85 2HE2 GLN 85 3.344 -12.630 1.129 665 H ARG 86 H ARG 86 2.874 -7.803 -0.846 666 HA ARG 86 HA ARG 86 2.387 -5.177 0.390 667 HB2 ARG 86 2HB ARG 86 2.136 -4.193 -1.832 668 HB3 ARG 86 1HB ARG 86 3.736 -4.894 -1.638 669 HG2 ARG 86 2HG ARG 86 3.376 -5.890 -3.590 670 HG3 ARG 86 1HG ARG 86 2.287 -6.966 -2.713 671 HD2 ARG 86 2HD ARG 86 1.118 -4.396 -3.535 672 HD3 ARG 86 1HD ARG 86 1.572 -5.468 -4.858 673 HE ARG 86 HE ARG 86 -0.582 -5.830 -2.991 674 HH11 ARG 86 1HH1 ARG 86 1.614 -7.446 -5.170 675 HH12 ARG 86 2HH1 ARG 86 0.579 -8.817 -5.394 676 HH21 ARG 86 1HH2 ARG 86 -1.943 -7.632 -3.284 677 HH22 ARG 86 2HH2 ARG 86 -1.439 -8.923 -4.324 678 H HIS 87 H HIS 87 0.284 -4.297 0.087 679 HA HIS 87 HA HIS 87 -1.756 -6.351 -0.451 680 HB2 HIS 87 2HB HIS 87 -2.245 -3.845 1.143 681 HB3 HIS 87 1HB HIS 87 -3.156 -5.351 1.156 682 HD1 HIS 87 1HD HIS 87 -1.852 -7.437 2.294 683 HD2 HIS 87 2HD HIS 87 -0.362 -3.642 3.096 684 HE1 HIS 87 1HE HIS 87 -0.389 -7.705 4.323 685 HE2 HIS 87 2HE HIS 87 0.570 -5.412 4.737 686 H MET 88 H MET 88 -2.783 -6.098 -2.316 687 HA MET 88 HA MET 88 -2.763 -3.527 -3.658 688 HB2 MET 88 2HB MET 88 -2.683 -6.159 -4.531 689 HB3 MET 88 1HB MET 88 -4.308 -5.636 -4.951 690 HG2 MET 88 2HG MET 88 -3.131 -3.574 -5.963 691 HG3 MET 88 1HG MET 88 -1.680 -4.574 -5.895 692 HE1 MET 88 3HE MET 88 -4.284 -3.335 -8.091 693 HE2 MET 88 1HE MET 88 -3.872 -4.295 -9.512 694 HE3 MET 88 2HE MET 88 -2.614 -3.407 -8.654 695 H PHE 89 H PHE 89 -4.250 -2.087 -3.095 696 HA PHE 89 HA PHE 89 -6.949 -3.015 -2.401 697 HB2 PHE 89 2HB PHE 89 -5.515 -0.416 -1.833 698 HB3 PHE 89 1HB PHE 89 -7.221 -0.677 -1.489 699 HD1 PHE 89 2HD PHE 89 -7.643 -2.973 -0.138 700 HD2 PHE 89 1HD PHE 89 -4.073 -0.658 -0.078 701 HE1 PHE 89 2HE PHE 89 -7.054 -3.944 2.045 702 HE2 PHE 89 1HE PHE 89 -3.477 -1.625 2.105 703 HZ PHE 89 HZ PHE 89 -4.969 -3.270 3.169 704 H SER 90 H SER 90 -8.776 -1.699 -3.178 705 HA SER 90 HA SER 90 -8.217 -0.389 -5.752 706 HB2 SER 90 2HB SER 90 -9.040 -2.479 -6.453 707 HB3 SER 90 1HB SER 90 -10.233 -2.544 -5.155 708 HG SER 90 HG SER 90 -11.002 -1.980 -7.348 709 H PHE 91 H PHE 91 -9.273 1.472 -6.114 710 HA PHE 91 HA PHE 91 -11.291 2.289 -4.128 711 HB2 PHE 91 2HB PHE 91 -9.169 3.878 -5.560 712 HB3 PHE 91 1HB PHE 91 -10.551 4.653 -4.791 713 HD1 PHE 91 2HD PHE 91 -8.175 1.925 -3.861 714 HD2 PHE 91 1HD PHE 91 -10.038 5.591 -2.773 715 HE1 PHE 91 2HE PHE 91 -6.995 1.876 -1.706 716 HE2 PHE 91 1HE PHE 91 -8.866 5.553 -0.613 717 HZ PHE 91 HZ PHE 91 -7.342 3.693 -0.071 718 H ASN 92 H ASN 92 -12.947 3.795 -4.903 719 HA ASN 92 HA ASN 92 -13.594 3.308 -7.734 720 HB2 ASN 92 2HB ASN 92 -15.258 3.245 -5.271 721 HB3 ASN 92 1HB ASN 92 -16.012 3.846 -6.745 722 HD21 ASN 92 1HD2 ASN 92 -15.259 1.139 -4.950 723 HD22 ASN 92 2HD2 ASN 92 -15.560 -0.067 -6.149 724 H ASN 93 H ASN 93 -13.114 5.694 -5.308 725 HA ASN 93 HA ASN 93 -14.226 7.772 -7.066 726 HB2 ASN 93 2HB ASN 93 -14.722 7.407 -4.430 727 HB3 ASN 93 1HB ASN 93 -13.350 8.508 -4.338 728 HD21 ASN 93 1HD2 ASN 93 -14.967 9.917 -3.359 729 HD22 ASN 93 2HD2 ASN 93 -15.958 10.893 -4.397 730 H ARG 94 H ARG 94 -12.959 9.973 -6.550 731 HA ARG 94 HA ARG 94 -10.134 9.383 -7.124 732 HB2 ARG 94 2HB ARG 94 -10.420 11.961 -7.928 733 HB3 ARG 94 1HB ARG 94 -10.606 10.570 -8.984 734 HG2 ARG 94 2HG ARG 94 -12.456 11.934 -9.419 735 HG3 ARG 94 1HG ARG 94 -13.075 10.637 -8.395 736 HD2 ARG 94 2HD ARG 94 -12.258 12.575 -6.595 737 HD3 ARG 94 1HD ARG 94 -12.964 13.501 -7.917 738 HE ARG 94 HE ARG 94 -14.590 11.293 -7.058 739 HH11 ARG 94 1HH1 ARG 94 -13.786 14.641 -6.495 740 HH12 ARG 94 2HH1 ARG 94 -15.303 15.009 -5.745 741 HH21 ARG 94 1HH2 ARG 94 -16.586 11.775 -6.074 742 HH22 ARG 94 2HH2 ARG 94 -16.893 13.382 -5.506 743 H THR 95 H THR 95 -12.310 11.100 -5.046 744 HA THR 95 HA THR 95 -10.250 12.729 -3.864 745 HB THR 95 HB THR 95 -13.143 12.557 -3.756 746 HG1 THR 95 1HG THR 95 -11.201 14.562 -3.384 747 HG21 THR 95 3HG2 THR 95 -11.651 13.028 -1.210 748 HG22 THR 95 1HG2 THR 95 -13.058 12.003 -1.492 749 HG23 THR 95 2HG2 THR 95 -13.227 13.758 -1.522 750 H VAL 96 H VAL 96 -12.065 9.820 -3.041 751 HA VAL 96 HA VAL 96 -11.014 9.558 -0.417 752 HB VAL 96 HB VAL 96 -13.091 8.435 -1.112 753 HG11 VAL 96 1HG1 VAL 96 -11.865 6.152 -2.404 754 HG12 VAL 96 2HG1 VAL 96 -11.635 7.637 -3.327 755 HG13 VAL 96 3HG1 VAL 96 -13.260 7.112 -2.891 756 HG21 VAL 96 3HG2 VAL 96 -12.529 6.159 -0.158 757 HG22 VAL 96 1HG2 VAL 96 -12.084 7.551 0.832 758 HG23 VAL 96 2HG2 VAL 96 -10.851 6.702 -0.101 759 H MET 97 H MET 97 -9.922 8.527 -3.576 760 HA MET 97 HA MET 97 -7.896 6.765 -2.568 761 HB2 MET 97 2HB MET 97 -7.106 6.682 -4.889 762 HB3 MET 97 1HB MET 97 -8.840 6.412 -4.793 763 HG2 MET 97 2HG MET 97 -8.766 7.854 -6.542 764 HG3 MET 97 1HG MET 97 -8.930 9.002 -5.216 765 HE1 MET 97 3HE MET 97 -6.861 10.741 -7.861 766 HE2 MET 97 1HE MET 97 -8.304 9.726 -7.852 767 HE3 MET 97 2HE MET 97 -6.804 9.119 -8.552 768 H ASP 98 H ASP 98 -8.114 10.079 -3.575 769 HA ASP 98 HA ASP 98 -5.317 10.618 -3.553 770 HB2 ASP 98 2HB ASP 98 -7.757 12.081 -4.073 771 HB3 ASP 98 1HB ASP 98 -6.672 13.034 -3.065 772 H ASN 99 H ASN 99 -7.785 10.470 -1.121 773 HA ASN 99 HA ASN 99 -6.384 12.024 0.837 774 HB2 ASN 99 2HB ASN 99 -8.654 10.044 1.141 775 HB3 ASN 99 1HB ASN 99 -8.067 11.111 2.414 776 HD21 ASN 99 1HD2 ASN 99 -10.709 10.988 1.328 777 HD22 ASN 99 2HD2 ASN 99 -11.048 12.545 0.637 778 H ILE 100 H ILE 100 -6.921 8.547 0.334 779 HA ILE 100 HA ILE 100 -5.377 7.660 2.515 780 HB ILE 100 HB ILE 100 -5.907 6.209 -0.083 781 HG12 ILE 100 2HG1 ILE 100 -7.965 7.014 1.070 782 HG13 ILE 100 1HG1 ILE 100 -7.849 5.259 1.001 783 HG21 ILE 100 1HG2 ILE 100 -4.116 5.206 1.239 784 HG22 ILE 100 2HG2 ILE 100 -5.546 4.176 1.218 785 HG23 ILE 100 3HG2 ILE 100 -5.181 5.146 2.645 786 HD11 ILE 100 3HD1 ILE 100 -7.427 7.059 3.359 787 HD12 ILE 100 1HD1 ILE 100 -6.901 5.376 3.342 788 HD13 ILE 100 2HD1 ILE 100 -8.610 5.766 3.154 789 H LYS 101 H LYS 101 -4.555 8.097 -0.914 790 HA LYS 101 HA LYS 101 -1.946 7.136 -0.828 791 HB2 LYS 101 2HB LYS 101 -1.615 8.181 -2.919 792 HB3 LYS 101 1HB LYS 101 -3.325 7.780 -2.868 793 HG2 LYS 101 2HG LYS 101 -3.880 10.071 -2.330 794 HG3 LYS 101 1HG LYS 101 -2.169 10.497 -2.277 795 HD2 LYS 101 2HD LYS 101 -2.114 9.594 -4.700 796 HD3 LYS 101 1HD LYS 101 -3.868 9.776 -4.640 797 HE2 LYS 101 2HE LYS 101 -3.554 12.148 -4.003 798 HE3 LYS 101 1HE LYS 101 -1.814 11.939 -4.194 799 HZ1 LYS 101 3HZ LYS 101 -2.579 12.861 -6.194 800 HZ2 LYS 101 1HZ LYS 101 -3.905 11.815 -6.286 801 HZ3 LYS 101 2HZ LYS 101 -2.343 11.222 -6.539 802 H MET 102 H MET 102 -3.178 10.386 -0.160 803 HA MET 102 HA MET 102 -0.532 11.419 0.348 804 HB2 MET 102 2HB MET 102 -3.294 12.592 0.509 805 HB3 MET 102 1HB MET 102 -1.890 13.466 1.106 806 HG2 MET 102 2HG MET 102 -0.891 13.101 -1.209 807 HG3 MET 102 1HG MET 102 -2.517 12.636 -1.703 808 HE1 MET 102 3HE MET 102 -2.728 15.323 -3.540 809 HE2 MET 102 1HE MET 102 -4.228 15.451 -2.623 810 HE3 MET 102 2HE MET 102 -3.543 13.865 -2.974 811 H THR 103 H THR 103 -3.090 10.012 2.183 812 HA THR 103 HA THR 103 -2.125 11.047 4.708 813 HB THR 103 HB THR 103 -4.268 9.006 4.086 814 HG1 THR 103 1HG THR 103 -5.657 10.721 4.577 815 HG21 THR 103 3HG2 THR 103 -3.036 9.457 6.552 816 HG22 THR 103 1HG2 THR 103 -4.537 8.588 6.236 817 HG23 THR 103 2HG2 THR 103 -4.578 10.310 6.615 818 H LEU 104 H LEU 104 -1.946 8.048 2.878 819 HA LEU 104 HA LEU 104 -0.878 6.443 4.927 820 HB2 LEU 104 2HB LEU 104 -1.175 6.279 2.017 821 HB3 LEU 104 1HB LEU 104 0.247 5.449 2.619 822 HG LEU 104 HG LEU 104 -1.108 4.056 4.059 823 HD11 LEU 104 1HD1 LEU 104 -2.883 5.283 4.836 824 HD12 LEU 104 2HD1 LEU 104 -3.679 4.273 3.630 825 HD13 LEU 104 3HD1 LEU 104 -3.265 5.943 3.246 826 HD21 LEU 104 3HD2 LEU 104 -0.793 3.340 1.741 827 HD22 LEU 104 1HD2 LEU 104 -2.268 4.189 1.277 828 HD23 LEU 104 2HD2 LEU 104 -2.352 2.811 2.376 829 H GLN 105 H GLN 105 0.791 8.027 2.206 830 HA GLN 105 HA GLN 105 3.401 7.581 2.996 831 HB2 GLN 105 2HB GLN 105 4.018 9.485 1.621 832 HB3 GLN 105 1HB GLN 105 2.745 8.570 0.826 833 HG2 GLN 105 2HG GLN 105 1.101 10.217 1.706 834 HG3 GLN 105 1HG GLN 105 2.457 11.169 2.313 835 HE21 GLN 105 1HE2 GLN 105 1.328 9.617 -0.672 836 HE22 GLN 105 2HE2 GLN 105 1.837 10.895 -1.731 837 H GLN 106 H GLN 106 1.060 9.812 4.260 838 HA GLN 106 HA GLN 106 2.796 11.561 5.619 839 HB2 GLN 106 2HB GLN 106 -0.050 11.039 5.534 840 HB3 GLN 106 1HB GLN 106 0.477 11.350 7.183 841 HG2 GLN 106 2HG GLN 106 0.780 13.140 4.789 842 HG3 GLN 106 1HG GLN 106 -0.202 13.414 6.226 843 HE21 GLN 106 1HE2 GLN 106 2.942 13.571 4.831 844 HE22 GLN 106 2HE2 GLN 106 3.729 14.365 6.160 845 H ILE 107 H ILE 107 1.469 8.445 6.389 846 HA ILE 107 HA ILE 107 2.524 8.424 9.085 847 HB ILE 107 HB ILE 107 1.248 6.236 7.432 848 HG12 ILE 107 2HG1 ILE 107 -0.261 6.955 9.740 849 HG13 ILE 107 1HG1 ILE 107 0.156 8.438 8.888 850 HG21 ILE 107 1HG2 ILE 107 1.078 4.994 9.554 851 HG22 ILE 107 2HG2 ILE 107 2.049 6.241 10.337 852 HG23 ILE 107 3HG2 ILE 107 2.747 5.258 9.051 853 HD11 ILE 107 3HD1 ILE 107 -0.677 7.112 6.797 854 HD12 ILE 107 1HD1 ILE 107 -1.823 7.889 7.890 855 HD13 ILE 107 2HD1 ILE 107 -1.530 6.154 8.008 856 H ILE 108 H ILE 108 3.240 7.058 5.938 857 HA ILE 108 HA ILE 108 5.315 5.312 6.573 858 HB ILE 108 HB ILE 108 5.164 7.032 4.098 859 HG12 ILE 108 2HG1 ILE 108 3.622 4.586 4.903 860 HG13 ILE 108 1HG1 ILE 108 3.032 6.094 4.217 861 HG21 ILE 108 1HG2 ILE 108 6.440 5.400 3.020 862 HG22 ILE 108 2HG2 ILE 108 6.197 4.226 4.314 863 HG23 ILE 108 3HG2 ILE 108 7.227 5.633 4.581 864 HD11 ILE 108 3HD1 ILE 108 4.627 5.186 2.219 865 HD12 ILE 108 1HD1 ILE 108 2.887 4.919 2.327 866 HD13 ILE 108 2HD1 ILE 108 4.006 3.679 2.894 867 H SER 109 H SER 109 5.454 8.706 5.577 868 HA SER 109 HA SER 109 8.191 9.096 5.689 869 HB2 SER 109 2HB SER 109 6.306 10.697 4.911 870 HB3 SER 109 1HB SER 109 6.288 11.241 6.589 871 HG SER 109 HG SER 109 8.327 11.459 4.664 872 H ARG 110 H ARG 110 5.954 8.733 8.288 873 HA ARG 110 HA ARG 110 7.323 10.034 10.352 874 HB2 ARG 110 2HB ARG 110 5.703 7.494 10.604 875 HB3 ARG 110 1HB ARG 110 6.054 8.648 11.882 876 HG2 ARG 110 2HG ARG 110 4.758 10.353 10.653 877 HG3 ARG 110 1HG ARG 110 4.344 9.128 9.451 878 HD2 ARG 110 2HD ARG 110 2.531 9.348 11.027 879 HD3 ARG 110 1HD ARG 110 3.302 7.776 11.240 880 HE ARG 110 HE ARG 110 4.334 9.808 12.989 881 HH11 ARG 110 1HH1 ARG 110 1.831 7.415 12.558 882 HH12 ARG 110 2HH1 ARG 110 1.531 7.241 14.254 883 HH21 ARG 110 1HH2 ARG 110 3.941 9.582 15.220 884 HH22 ARG 110 2HH2 ARG 110 2.728 8.473 15.766 885 H TYR 111 H TYR 111 7.853 6.942 8.827 886 HA TYR 111 HA TYR 111 9.913 6.254 10.793 887 HB2 TYR 111 2HB TYR 111 9.284 4.445 8.512 888 HB3 TYR 111 1HB TYR 111 9.672 4.052 10.183 889 HD1 TYR 111 2HD TYR 111 7.856 4.606 11.952 890 HD2 TYR 111 1HD TYR 111 7.079 4.335 7.777 891 HE1 TYR 111 2HE TYR 111 5.468 4.258 12.424 892 HE2 TYR 111 1HE TYR 111 4.690 3.986 8.238 893 HH TYR 111 HH TYR 111 3.491 3.149 11.203 894 H LYS 112 H LYS 112 9.465 6.992 7.386 895 HA LYS 112 HA LYS 112 12.038 6.370 6.470 896 HB2 LYS 112 2HB LYS 112 10.083 6.870 5.015 897 HB3 LYS 112 1HB LYS 112 10.219 8.565 5.465 898 HG2 LYS 112 2HG LYS 112 12.491 8.601 4.495 899 HG3 LYS 112 1HG LYS 112 12.257 6.935 3.964 900 HD2 LYS 112 2HD LYS 112 10.518 9.268 3.162 901 HD3 LYS 112 1HD LYS 112 11.817 8.590 2.178 902 HE2 LYS 112 2HE LYS 112 10.162 7.346 1.293 903 HE3 LYS 112 1HE LYS 112 10.396 6.358 2.734 904 HZ1 LYS 112 3HZ LYS 112 8.049 6.973 2.273 905 HZ2 LYS 112 1HZ LYS 112 8.449 8.590 2.571 906 HZ3 LYS 112 2HZ LYS 112 8.589 7.443 3.805 907 H ASP 113 H ASP 113 10.712 9.474 7.602 908 HA ASP 113 HA ASP 113 13.064 10.969 7.322 909 HB2 ASP 113 2HB ASP 113 10.659 11.771 7.799 910 HB3 ASP 113 1HB ASP 113 11.043 11.482 9.493 911 H ALA 114 H ALA 114 11.975 8.813 9.847 912 HA ALA 114 HA ALA 114 13.939 9.623 11.770 913 HB1 ALA 114 1HB ALA 114 11.891 7.480 11.587 914 HB2 ALA 114 2HB ALA 114 12.170 8.675 12.852 915 HB3 ALA 114 3HB ALA 114 13.220 7.263 12.726 916 H ASP 115 H ASP 115 13.717 7.159 9.279 917 HA ASP 115 HA ASP 115 16.013 5.687 10.087 918 HB2 ASP 115 2HB ASP 115 14.234 5.749 7.707 919 HB3 ASP 115 1HB ASP 115 15.835 5.050 7.491 920 H TYR 90 1HT TYR 90 5.053 -1.941 -17.669 921 HA TYR 90 HA TYR 90 5.018 -4.743 -18.548 922 HB2 TYR 90 2HB TYR 90 6.254 -3.220 -16.245 923 HB3 TYR 90 1HB TYR 90 6.212 -4.978 -16.335 924 HD1 TYR 90 1HD TYR 90 7.512 -1.940 -18.011 925 HD2 TYR 90 2HD TYR 90 7.803 -6.166 -17.616 926 HE1 TYR 90 1HE TYR 90 9.592 -1.913 -19.323 927 HE2 TYR 90 2HE TYR 90 9.884 -6.152 -18.925 928 HH TYR 90 HH TYR 90 11.746 -3.686 -19.392 929 H ASP 91 H ASP 91 4.205 -6.189 -16.762 930 HA ASP 91 HA ASP 91 1.551 -5.345 -16.037 931 HB2 ASP 91 2HB ASP 91 3.095 -7.910 -15.811 932 HB3 ASP 91 1HB ASP 91 1.580 -7.711 -14.936 933 H SER 92 H SER 92 4.430 -6.425 -14.240 934 HA SER 92 HA SER 92 3.263 -5.753 -11.701 935 HB2 SER 92 2HB SER 92 5.983 -6.703 -12.576 936 HB3 SER 92 1HB SER 92 5.687 -6.189 -10.916 937 HG SER 92 HG SER 92 5.111 -8.527 -12.056 938 H GLU 93 H GLU 93 5.387 -4.214 -14.007 939 HA GLU 93 HA GLU 93 5.879 -1.994 -12.161 940 HB2 GLU 93 2HB GLU 93 7.593 -3.220 -13.835 941 HB3 GLU 93 1HB GLU 93 7.011 -1.950 -14.902 942 HG2 GLU 93 2HG GLU 93 7.779 -1.073 -12.204 943 HG3 GLU 93 1HG GLU 93 9.092 -1.689 -13.207 944 H GLU 94 H GLU 94 3.254 -2.501 -13.384 945 HA GLU 94 HA GLU 94 2.859 -0.563 -15.452 946 HB2 GLU 94 2HB GLU 94 1.440 -2.706 -14.653 947 HB3 GLU 94 1HB GLU 94 0.553 -1.444 -13.810 948 HG2 GLU 94 2HG GLU 94 -0.182 -0.468 -15.749 949 HG3 GLU 94 1HG GLU 94 1.166 -1.090 -16.700 950 H PHE 95 H PHE 95 1.587 -0.705 -12.119 951 HA PHE 95 HA PHE 95 1.100 2.148 -12.151 952 HB2 PHE 95 2HB PHE 95 0.713 0.135 -9.924 953 HB3 PHE 95 1HB PHE 95 0.120 1.792 -9.931 954 HD1 PHE 95 1HD PHE 95 -1.298 2.355 -12.153 955 HD2 PHE 95 2HD PHE 95 -0.813 -1.495 -10.408 956 HE1 PHE 95 1HE PHE 95 -3.380 1.608 -13.233 957 HE2 PHE 95 2HE PHE 95 -2.892 -2.251 -11.484 958 HZ PHE 95 HZ PHE 95 -4.178 -0.698 -12.899 959 H GLU 96 H GLU 96 2.234 3.693 -11.084 960 HA GLU 96 HA GLU 96 4.836 2.900 -10.029 961 HB2 GLU 96 2HB GLU 96 3.797 5.689 -10.541 962 HB3 GLU 96 1HB GLU 96 5.467 5.214 -10.263 963 HG2 GLU 96 2HG GLU 96 5.762 4.483 -12.379 964 HG3 GLU 96 1HG GLU 96 4.093 3.936 -12.541 965 H ASP 97 H ASP 97 5.657 3.840 -8.051 966 HA ASP 97 HA ASP 97 3.564 4.015 -6.017 967 HB2 ASP 97 2HB ASP 97 5.420 3.679 -4.406 968 HB3 ASP 97 1HB ASP 97 5.315 2.386 -5.597 969 H VAL 98 H VAL 98 3.852 5.581 -4.238 970 HA VAL 98 HA VAL 98 4.794 8.159 -5.300 971 HB VAL 98 HB VAL 98 3.277 9.229 -3.698 972 HG11 VAL 98 1HG1 VAL 98 1.516 9.068 -5.090 973 HG12 VAL 98 2HG1 VAL 98 1.430 7.312 -4.947 974 HG13 VAL 98 3HG1 VAL 98 2.600 8.052 -6.041 975 HG21 VAL 98 3HG2 VAL 98 3.175 7.746 -1.877 976 HG22 VAL 98 1HG2 VAL 98 2.690 6.393 -2.899 977 HG23 VAL 98 2HG2 VAL 98 1.560 7.707 -2.583 978 H THR 99 H THR 99 6.656 8.861 -4.505 979 HA THR 99 HA THR 99 7.180 8.644 -1.649 980 HB THR 99 HB THR 99 9.654 8.015 -2.508 981 HG1 THR 99 1HG THR 99 9.369 7.579 -4.580 982 HG21 THR 99 3HG2 THR 99 9.394 5.969 -1.553 983 HG22 THR 99 1HG2 THR 99 7.810 5.703 -2.282 984 HG23 THR 99 2HG2 THR 99 7.975 6.788 -0.901 985 H ASP 100 H ASP 100 9.051 9.977 -0.983 986 HA ASP 100 HA ASP 100 8.886 12.568 -2.033 987 HB2 ASP 100 2HB ASP 100 10.622 11.189 -0.052 988 HB3 ASP 100 1HB ASP 100 11.201 12.724 -0.695 989 H GLY 101 H GLY 101 9.663 13.346 -3.872 990 HA2 GLY 101 2HA GLY 101 12.161 13.552 -4.779 991 HA3 GLY 101 1HA GLY 101 11.772 11.913 -5.277 992 H ASN 102 H ASN 102 9.476 11.829 -6.371 993 HA ASN 102 HA ASN 102 8.221 12.327 -8.198 994 HB2 ASN 102 2HB ASN 102 8.992 15.136 -7.395 995 HB3 ASN 102 1HB ASN 102 7.876 14.781 -8.711 996 HD21 ASN 102 1HD2 ASN 102 7.617 16.088 -6.004 997 HD22 ASN 102 2HD2 ASN 102 6.262 15.298 -5.280 998 H GLU 103 H GLU 103 10.554 14.966 -8.621 999 HA GLU 103 HA GLU 103 11.979 13.520 -10.682 1000 HB2 GLU 103 2HB GLU 103 10.074 15.750 -11.290 1001 HB3 GLU 103 1HB GLU 103 11.523 15.556 -12.267 1002 HG2 GLU 103 2HG GLU 103 9.388 13.478 -11.843 1003 HG3 GLU 103 1HG GLU 103 9.607 14.465 -13.287 1004 H VAL 104 H VAL 104 11.456 16.991 -10.111 1005 HA VAL 104 HA VAL 104 14.346 17.277 -9.684 1006 HB VAL 104 HB VAL 104 12.331 19.462 -10.219 1007 HG11 VAL 104 1HG1 VAL 104 15.177 19.810 -10.881 1008 HG12 VAL 104 2HG1 VAL 104 14.802 19.716 -9.161 1009 HG13 VAL 104 3HG1 VAL 104 14.028 20.942 -10.166 1010 HG21 VAL 104 3HG2 VAL 104 12.530 19.173 -12.439 1011 HG22 VAL 104 1HG2 VAL 104 13.003 17.530 -12.009 1012 HG23 VAL 104 2HG2 VAL 104 14.238 18.748 -12.333 Start of MODEL 13 1 H2 PRO 1 1HT PRO 1 -11.781 10.761 9.130 2 H3 PRO 1 2HT PRO 1 -13.306 10.162 9.268 3 HA PRO 1 HA PRO 1 -13.424 10.275 7.228 4 HB2 PRO 1 2HB PRO 1 -13.462 13.120 6.814 5 HB3 PRO 1 1HB PRO 1 -14.824 11.993 6.858 6 HG2 PRO 1 2HG PRO 1 -14.339 13.883 8.786 7 HG3 PRO 1 1HG PRO 1 -15.239 12.383 9.066 8 HD2 PRO 1 2HD PRO 1 -12.369 13.017 9.684 9 HD3 PRO 1 1HD PRO 1 -13.565 12.154 10.671 10 H SER 2 H SER 2 -10.937 12.372 8.455 11 HA SER 2 HA SER 2 -9.612 12.842 5.985 12 HB2 SER 2 2HB SER 2 -9.171 14.374 7.757 13 HB3 SER 2 1HB SER 2 -8.721 13.075 8.861 14 HG SER 2 HG SER 2 -7.305 13.945 6.562 15 H HIS 3 H HIS 3 -8.417 10.958 8.766 16 HA HIS 3 HA HIS 3 -6.765 9.376 6.986 17 HB2 HIS 3 2HB HIS 3 -5.721 8.512 8.954 18 HB3 HIS 3 1HB HIS 3 -5.936 10.243 9.185 19 HD1 HIS 3 1HD HIS 3 -9.142 9.527 9.873 20 HD2 HIS 3 2HD HIS 3 -5.661 8.342 11.797 21 HE1 HIS 3 1HE HIS 3 -9.839 8.944 12.219 22 HE2 HIS 3 2HE HIS 3 -7.699 8.318 13.393 23 H SER 4 H SER 4 -9.205 8.803 6.210 24 HA SER 4 HA SER 4 -9.439 6.038 6.519 25 HB2 SER 4 2HB SER 4 -11.594 5.918 7.773 26 HB3 SER 4 1HB SER 4 -10.241 6.466 8.764 27 HG SER 4 HG SER 4 -12.092 8.199 7.492 28 H GLY 5 H GLY 5 -10.448 5.304 4.751 29 HA2 GLY 5 2HA GLY 5 -12.674 6.825 3.621 30 HA3 GLY 5 1HA GLY 5 -11.258 6.604 2.600 31 H ALA 6 H ALA 6 -13.884 5.629 2.026 32 HA ALA 6 HA ALA 6 -14.051 2.860 2.673 33 HB1 ALA 6 1HB ALA 6 -15.723 2.903 0.701 34 HB2 ALA 6 2HB ALA 6 -15.484 4.650 0.754 35 HB3 ALA 6 3HB ALA 6 -16.103 3.800 2.172 36 H ALA 7 H ALA 7 -12.419 1.584 2.068 37 HA ALA 7 HA ALA 7 -11.444 1.776 -0.705 38 HB1 ALA 7 1HB ALA 7 -10.087 0.375 1.592 39 HB2 ALA 7 2HB ALA 7 -9.792 2.063 1.167 40 HB3 ALA 7 3HB ALA 7 -9.403 0.780 0.019 41 H ILE 8 H ILE 8 -10.723 -0.335 -1.660 42 HA ILE 8 HA ILE 8 -12.656 -2.463 -1.001 43 HB ILE 8 HB ILE 8 -11.571 -1.763 -3.729 44 HG12 ILE 8 2HG1 ILE 8 -13.950 -0.899 -2.201 45 HG13 ILE 8 1HG1 ILE 8 -13.093 -0.084 -3.501 46 HG21 ILE 8 1HG2 ILE 8 -13.018 -3.435 -4.608 47 HG22 ILE 8 2HG2 ILE 8 -13.776 -3.694 -3.038 48 HG23 ILE 8 3HG2 ILE 8 -12.102 -4.184 -3.299 49 HD11 ILE 8 3HD1 ILE 8 -14.219 -1.495 -5.131 50 HD12 ILE 8 1HD1 ILE 8 -15.373 -0.621 -4.124 51 HD13 ILE 8 2HD1 ILE 8 -15.061 -2.331 -3.826 52 H PHE 9 H PHE 9 -11.957 -4.597 -1.078 53 HA PHE 9 HA PHE 9 -9.171 -5.124 -1.771 54 HB2 PHE 9 2HB PHE 9 -9.278 -4.556 0.685 55 HB3 PHE 9 1HB PHE 9 -10.302 -5.971 0.901 56 HD1 PHE 9 2HD PHE 9 -9.389 -8.224 0.568 57 HD2 PHE 9 1HD PHE 9 -6.926 -4.760 0.360 58 HE1 PHE 9 2HE PHE 9 -7.389 -9.637 0.806 59 HE2 PHE 9 1HE PHE 9 -4.921 -6.166 0.597 60 HZ PHE 9 HZ PHE 9 -5.151 -8.609 0.821 61 H GLU 10 H GLU 10 -8.810 -7.203 -2.482 62 HA GLU 10 HA GLU 10 -9.375 -9.164 -3.501 63 HB2 GLU 10 2HB GLU 10 -10.635 -9.273 -0.808 64 HB3 GLU 10 1HB GLU 10 -11.083 -10.520 -1.964 65 HG2 GLU 10 2HG GLU 10 -8.811 -11.227 -2.182 66 HG3 GLU 10 1HG GLU 10 -8.245 -9.865 -1.216 67 H LYS 11 H LYS 11 -11.020 -6.790 -4.100 68 HA LYS 11 HA LYS 11 -12.668 -6.406 -5.643 69 HB2 LYS 11 2HB LYS 11 -13.727 -9.195 -5.236 70 HB3 LYS 11 1HB LYS 11 -13.966 -8.130 -6.613 71 HG2 LYS 11 2HG LYS 11 -12.080 -8.792 -7.601 72 HG3 LYS 11 1HG LYS 11 -11.161 -8.738 -6.096 73 HD2 LYS 11 2HD LYS 11 -11.806 -10.911 -5.494 74 HD3 LYS 11 1HD LYS 11 -13.135 -10.930 -6.654 75 HE2 LYS 11 2HE LYS 11 -11.370 -10.768 -8.466 76 HE3 LYS 11 1HE LYS 11 -10.182 -11.102 -7.206 77 HZ1 LYS 11 3HZ LYS 11 -10.590 -13.207 -7.886 78 HZ2 LYS 11 1HZ LYS 11 -12.163 -12.872 -8.413 79 HZ3 LYS 11 2HZ LYS 11 -11.852 -13.088 -6.765 80 H VAL 12 H VAL 12 -13.010 -7.148 -2.432 81 HA VAL 12 HA VAL 12 -15.874 -6.527 -2.413 82 HB VAL 12 HB VAL 12 -15.141 -8.523 -1.148 83 HG11 VAL 12 1HG1 VAL 12 -14.120 -7.856 1.179 84 HG12 VAL 12 2HG1 VAL 12 -13.424 -6.544 0.235 85 HG13 VAL 12 3HG1 VAL 12 -13.099 -8.217 -0.209 86 HG21 VAL 12 3HG2 VAL 12 -16.964 -6.595 -0.428 87 HG22 VAL 12 1HG2 VAL 12 -16.062 -6.873 1.063 88 HG23 VAL 12 2HG2 VAL 12 -16.857 -8.221 0.247 89 H SER 13 H SER 13 -16.617 -4.634 -1.666 90 HA SER 13 HA SER 13 -14.676 -2.590 -1.063 91 HB2 SER 13 2HB SER 13 -16.792 -1.144 -0.885 92 HB3 SER 13 1HB SER 13 -16.417 -1.835 -2.463 93 HG SER 13 HG SER 13 -18.238 -2.859 -2.382 94 H GLY 14 H GLY 14 -14.474 -1.444 0.832 95 HA2 GLY 14 2HA GLY 14 -16.122 -2.168 3.121 96 HA3 GLY 14 1HA GLY 14 -14.420 -2.594 3.225 97 H ILE 15 H ILE 15 -13.766 -1.231 4.801 98 HA ILE 15 HA ILE 15 -13.801 1.624 4.128 99 HB ILE 15 HB ILE 15 -14.207 0.721 6.963 100 HG12 ILE 15 2HG1 ILE 15 -16.073 -0.102 5.482 101 HG13 ILE 15 1HG1 ILE 15 -16.573 0.994 6.765 102 HG21 ILE 15 1HG2 ILE 15 -15.236 3.097 6.994 103 HG22 ILE 15 2HG2 ILE 15 -14.358 3.313 5.480 104 HG23 ILE 15 3HG2 ILE 15 -13.479 2.918 6.964 105 HD11 ILE 15 3HD1 ILE 15 -17.029 2.709 5.286 106 HD12 ILE 15 1HD1 ILE 15 -17.554 1.274 4.405 107 HD13 ILE 15 2HD1 ILE 15 -16.004 2.029 4.022 108 H ILE 16 H ILE 16 -11.801 2.348 4.090 109 HA ILE 16 HA ILE 16 -9.744 0.906 5.586 110 HB ILE 16 HB ILE 16 -9.808 2.355 3.060 111 HG12 ILE 16 2HG1 ILE 16 -7.828 0.463 4.336 112 HG13 ILE 16 1HG1 ILE 16 -9.158 0.019 3.274 113 HG21 ILE 16 1HG2 ILE 16 -7.442 2.925 4.829 114 HG22 ILE 16 2HG2 ILE 16 -8.667 4.103 4.348 115 HG23 ILE 16 3HG2 ILE 16 -7.627 3.367 3.131 116 HD11 ILE 16 3HD1 ILE 16 -7.851 0.257 1.512 117 HD12 ILE 16 1HD1 ILE 16 -6.507 0.658 2.580 118 HD13 ILE 16 2HD1 ILE 16 -7.539 1.938 1.942 119 H ALA 17 H ALA 17 -9.011 1.705 7.438 120 HA ALA 17 HA ALA 17 -9.148 4.600 7.885 121 HB1 ALA 17 1HB ALA 17 -10.278 4.421 9.934 122 HB2 ALA 17 2HB ALA 17 -10.049 2.671 10.003 123 HB3 ALA 17 3HB ALA 17 -11.169 3.370 8.825 124 H ILE 18 H ILE 18 -7.418 5.430 8.863 125 HA ILE 18 HA ILE 18 -5.277 3.614 9.643 126 HB ILE 18 HB ILE 18 -5.212 6.626 9.424 127 HG12 ILE 18 2HG1 ILE 18 -3.804 5.856 7.302 128 HG13 ILE 18 1HG1 ILE 18 -4.859 4.450 7.412 129 HG21 ILE 18 1HG2 ILE 18 -3.000 6.565 9.883 130 HG22 ILE 18 2HG2 ILE 18 -2.772 4.991 9.121 131 HG23 ILE 18 3HG2 ILE 18 -3.449 5.094 10.744 132 HD11 ILE 18 3HD1 ILE 18 -5.963 7.232 7.392 133 HD12 ILE 18 1HD1 ILE 18 -6.772 5.713 7.006 134 HD13 ILE 18 2HD1 ILE 18 -5.570 6.377 5.900 135 H ASN 19 H ASN 19 -5.050 3.031 11.689 136 HA ASN 19 HA ASN 19 -6.344 4.490 13.818 137 HB2 ASN 19 2HB ASN 19 -5.835 1.862 13.478 138 HB3 ASN 19 1HB ASN 19 -4.446 2.306 14.467 139 HD21 ASN 19 1HD2 ASN 19 -5.081 1.223 16.277 140 HD22 ASN 19 2HD2 ASN 19 -6.453 1.675 17.224 141 H GLU 20 H GLU 20 -5.349 6.422 14.161 142 HA GLU 20 HA GLU 20 -2.453 6.538 14.404 143 HB2 GLU 20 2HB GLU 20 -4.648 8.566 14.263 144 HB3 GLU 20 1HB GLU 20 -3.090 9.031 14.933 145 HG2 GLU 20 2HG GLU 20 -1.979 8.664 12.914 146 HG3 GLU 20 1HG GLU 20 -3.303 7.702 12.258 147 H ASP 21 H ASP 21 -4.439 5.267 16.415 148 HA ASP 21 HA ASP 21 -3.871 6.835 18.799 149 HB2 ASP 21 2HB ASP 21 -5.366 4.220 18.482 150 HB3 ASP 21 1HB ASP 21 -5.261 5.170 19.961 151 H VAL 22 H VAL 22 -2.476 4.326 17.008 152 HA VAL 22 HA VAL 22 -1.088 3.147 19.286 153 HB VAL 22 HB VAL 22 -0.125 1.598 17.606 154 HG11 VAL 22 1HG1 VAL 22 -2.978 1.448 16.939 155 HG12 VAL 22 2HG1 VAL 22 -2.625 1.588 18.662 156 HG13 VAL 22 3HG1 VAL 22 -1.929 0.266 17.723 157 HG21 VAL 22 3HG2 VAL 22 -0.645 1.689 15.331 158 HG22 VAL 22 1HG2 VAL 22 -0.310 3.366 15.760 159 HG23 VAL 22 2HG2 VAL 22 -1.978 2.818 15.587 160 H SER 23 H SER 23 1.353 2.509 18.131 161 HA SER 23 HA SER 23 2.654 5.115 18.192 162 HB2 SER 23 2HB SER 23 3.429 2.356 18.865 163 HB3 SER 23 1HB SER 23 4.698 3.308 18.096 164 HG SER 23 HG SER 23 4.534 4.815 19.723 165 HA PRO 24 HA PRO 24 4.482 3.518 14.103 166 HB2 PRO 24 2HB PRO 24 3.905 1.073 13.174 167 HB3 PRO 24 1HB PRO 24 5.179 1.344 14.366 168 HG2 PRO 24 2HG PRO 24 2.395 0.337 14.750 169 HG3 PRO 24 1HG PRO 24 3.894 -0.188 15.536 170 HD2 PRO 24 2HD PRO 24 2.052 1.505 16.677 171 HD3 PRO 24 1HD PRO 24 3.767 1.444 17.125 172 H ALA 25 H ALA 25 1.370 3.556 14.850 173 HA ALA 25 HA ALA 25 -0.605 3.959 13.793 174 HB1 ALA 25 1HB ALA 25 1.468 5.360 12.318 175 HB2 ALA 25 2HB ALA 25 -0.127 5.909 12.833 176 HB3 ALA 25 3HB ALA 25 0.050 5.004 11.329 177 H GLU 26 H GLU 26 -1.862 2.370 13.117 178 HA GLU 26 HA GLU 26 -0.945 0.685 10.881 179 HB2 GLU 26 2HB GLU 26 -3.071 -0.033 12.894 180 HB3 GLU 26 1HB GLU 26 -2.234 -1.102 11.776 181 HG2 GLU 26 2HG GLU 26 -0.613 -1.482 13.233 182 HG3 GLU 26 1HG GLU 26 -0.359 0.243 13.496 183 H LEU 27 H LEU 27 -2.606 -0.128 9.435 184 HA LEU 27 HA LEU 27 -4.831 1.765 9.071 185 HB2 LEU 27 2HB LEU 27 -3.140 1.966 7.314 186 HB3 LEU 27 1HB LEU 27 -3.249 0.248 6.992 187 HG LEU 27 HG LEU 27 -5.838 1.551 6.759 188 HD11 LEU 27 1HD1 LEU 27 -3.975 3.298 6.041 189 HD12 LEU 27 2HD1 LEU 27 -5.487 3.118 5.152 190 HD13 LEU 27 3HD1 LEU 27 -4.018 2.344 4.559 191 HD21 LEU 27 3HD2 LEU 27 -4.092 -0.217 5.076 192 HD22 LEU 27 1HD2 LEU 27 -5.584 0.481 4.438 193 HD23 LEU 27 2HD2 LEU 27 -5.637 -0.585 5.843 194 H THR 28 H THR 28 -6.658 0.769 9.714 195 HA THR 28 HA THR 28 -6.898 -2.121 9.272 196 HB THR 28 HB THR 28 -8.561 -0.341 11.054 197 HG1 THR 28 1HG THR 28 -7.244 -0.933 12.678 198 HG21 THR 28 3HG2 THR 28 -8.423 -3.310 10.704 199 HG22 THR 28 1HG2 THR 28 -9.837 -2.256 10.714 200 HG23 THR 28 2HG2 THR 28 -8.964 -2.575 12.213 201 H TRP 29 H TRP 29 -8.015 -2.770 7.580 202 HA TRP 29 HA TRP 29 -10.008 -1.061 6.357 203 HB2 TRP 29 2HB TRP 29 -8.484 -2.144 4.837 204 HB3 TRP 29 1HB TRP 29 -8.806 -3.719 5.557 205 HD1 TRP 29 HD TRP 29 -10.662 -1.002 3.562 206 HE1 TRP 29 1HE TRP 29 -12.464 -2.146 2.106 207 HE3 TRP 29 3HE TRP 29 -10.082 -5.789 5.213 208 HZ2 TRP 29 2HZ TRP 29 -13.498 -4.756 1.731 209 HZ3 TRP 29 3HZ TRP 29 -11.517 -7.552 4.273 210 HH2 TRP 29 HH TRP 29 -13.186 -7.043 2.569 211 H ARG 30 H ARG 30 -11.984 -1.139 7.227 212 HA ARG 30 HA ARG 30 -12.996 -3.736 8.182 213 HB2 ARG 30 2HB ARG 30 -12.930 -1.980 9.898 214 HB3 ARG 30 1HB ARG 30 -13.917 -0.940 8.882 215 HG2 ARG 30 2HG ARG 30 -15.511 -3.095 9.005 216 HG3 ARG 30 1HG ARG 30 -14.686 -3.235 10.559 217 HD2 ARG 30 2HD ARG 30 -15.849 -0.620 9.683 218 HD3 ARG 30 1HD ARG 30 -16.878 -1.858 10.401 219 HE ARG 30 HE ARG 30 -14.949 -0.213 11.748 220 HH11 ARG 30 1HH1 ARG 30 -16.671 -3.247 11.843 221 HH12 ARG 30 2HH1 ARG 30 -16.527 -3.419 13.560 222 HH21 ARG 30 1HH2 ARG 30 -14.760 -0.437 14.007 223 HH22 ARG 30 2HH2 ARG 30 -15.442 -1.824 14.789 224 H SER 31 H SER 31 -14.314 -4.721 6.800 225 HA SER 31 HA SER 31 -15.312 -3.754 4.449 226 HB2 SER 31 2HB SER 31 -15.610 -6.016 4.535 227 HB3 SER 31 1HB SER 31 -16.062 -5.998 6.240 228 HG SER 31 HG SER 31 -17.764 -6.499 4.635 229 H THR 32 H THR 32 -17.651 -3.437 3.839 230 HA THR 32 HA THR 32 -18.700 -1.233 5.305 231 HB THR 32 HB THR 32 -20.587 -2.279 3.432 232 HG1 THR 32 1HG THR 32 -17.978 -1.977 2.377 233 HG21 THR 32 3HG2 THR 32 -20.229 -0.227 2.240 234 HG22 THR 32 1HG2 THR 32 -18.737 0.068 3.133 235 HG23 THR 32 2HG2 THR 32 -20.288 0.103 3.972 236 H ASP 33 H ASP 33 -19.573 -4.563 4.785 237 HA ASP 33 HA ASP 33 -21.886 -4.365 6.494 238 HB2 ASP 33 2HB ASP 33 -20.716 -6.823 5.192 239 HB3 ASP 33 1HB ASP 33 -22.315 -6.683 5.916 240 H GLY 34 H GLY 34 -18.657 -5.685 6.580 241 HA2 GLY 34 2HA GLY 34 -17.476 -5.760 8.686 242 HA3 GLY 34 1HA GLY 34 -19.002 -6.138 9.472 243 H ASP 35 H ASP 35 -18.309 -7.714 6.489 244 HA ASP 35 HA ASP 35 -18.081 -10.250 7.905 245 HB2 ASP 35 2HB ASP 35 -18.374 -9.732 4.940 246 HB3 ASP 35 1HB ASP 35 -18.520 -11.290 5.748 247 H LYS 36 H LYS 36 -16.098 -7.984 6.283 248 HA LYS 36 HA LYS 36 -13.855 -9.866 6.456 249 HB2 LYS 36 2HB LYS 36 -14.539 -8.145 4.075 250 HB3 LYS 36 1HB LYS 36 -12.961 -8.884 4.309 251 HG2 LYS 36 2HG LYS 36 -13.691 -10.946 3.765 252 HG3 LYS 36 1HG LYS 36 -15.279 -10.696 4.492 253 HD2 LYS 36 2HD LYS 36 -16.038 -10.524 2.395 254 HD3 LYS 36 1HD LYS 36 -15.281 -8.929 2.381 255 HE2 LYS 36 2HE LYS 36 -13.366 -9.727 1.285 256 HE3 LYS 36 1HE LYS 36 -13.752 -11.407 1.652 257 HZ1 LYS 36 3HZ LYS 36 -14.243 -10.249 -0.696 258 HZ2 LYS 36 1HZ LYS 36 -15.728 -9.990 0.072 259 HZ3 LYS 36 2HZ LYS 36 -15.127 -11.562 -0.099 260 H VAL 37 H VAL 37 -11.916 -8.999 7.054 261 HA VAL 37 HA VAL 37 -11.702 -6.103 7.344 262 HB VAL 37 HB VAL 37 -12.490 -7.609 9.500 263 HG11 VAL 37 1HG1 VAL 37 -9.543 -7.097 9.872 264 HG12 VAL 37 2HG1 VAL 37 -10.263 -8.685 9.604 265 HG13 VAL 37 3HG1 VAL 37 -10.664 -7.769 11.057 266 HG21 VAL 37 3HG2 VAL 37 -11.048 -4.979 9.341 267 HG22 VAL 37 1HG2 VAL 37 -11.756 -5.594 10.834 268 HG23 VAL 37 2HG2 VAL 37 -12.784 -5.274 9.437 269 H HIS 38 H HIS 38 -9.509 -5.374 7.763 270 HA HIS 38 HA HIS 38 -7.358 -7.296 7.498 271 HB2 HIS 38 2HB HIS 38 -8.275 -6.586 5.147 272 HB3 HIS 38 1HB HIS 38 -7.396 -5.094 5.462 273 HD1 HIS 38 1HD HIS 38 -6.903 -8.698 4.658 274 HD2 HIS 38 2HD HIS 38 -4.590 -5.338 5.448 275 HE1 HIS 38 1HE HIS 38 -4.561 -9.322 3.988 276 HE2 HIS 38 2HE HIS 38 -3.164 -7.303 4.555 277 H THR 39 H THR 39 -5.347 -6.475 8.140 278 HA THR 39 HA THR 39 -5.376 -3.705 9.141 279 HB THR 39 HB THR 39 -3.840 -5.812 10.600 280 HG1 THR 39 1HG THR 39 -5.728 -6.810 10.744 281 HG21 THR 39 3HG2 THR 39 -3.421 -3.960 11.778 282 HG22 THR 39 1HG2 THR 39 -5.022 -4.252 12.460 283 HG23 THR 39 2HG2 THR 39 -4.824 -3.106 11.133 284 H VAL 40 H VAL 40 -3.708 -2.489 8.546 285 HA VAL 40 HA VAL 40 -1.292 -3.818 7.497 286 HB VAL 40 HB VAL 40 -2.874 -1.560 6.377 287 HG11 VAL 40 1HG1 VAL 40 -0.823 -0.972 4.970 288 HG12 VAL 40 2HG1 VAL 40 0.116 -1.783 6.225 289 HG13 VAL 40 3HG1 VAL 40 -0.862 -0.374 6.630 290 HG21 VAL 40 3HG2 VAL 40 -1.410 -3.943 5.306 291 HG22 VAL 40 1HG2 VAL 40 -2.088 -2.694 4.256 292 HG23 VAL 40 2HG2 VAL 40 -3.151 -3.639 5.300 293 H VAL 41 H VAL 41 0.591 -3.165 8.315 294 HA VAL 41 HA VAL 41 0.457 -0.952 10.225 295 HB VAL 41 HB VAL 41 2.488 -3.175 10.002 296 HG11 VAL 41 1HG1 VAL 41 3.664 -1.190 10.686 297 HG12 VAL 41 2HG1 VAL 41 3.435 -2.219 12.101 298 HG13 VAL 41 3HG1 VAL 41 2.411 -0.800 11.866 299 HG21 VAL 41 3HG2 VAL 41 1.548 -3.428 12.448 300 HG22 VAL 41 1HG2 VAL 41 0.690 -4.119 11.069 301 HG23 VAL 41 2HG2 VAL 41 0.159 -2.584 11.760 302 H LEU 42 H LEU 42 0.915 0.911 9.327 303 HA LEU 42 HA LEU 42 2.339 1.388 7.012 304 HB2 LEU 42 2HB LEU 42 1.764 3.100 9.411 305 HB3 LEU 42 1HB LEU 42 2.671 3.724 8.046 306 HG LEU 42 HG LEU 42 0.383 4.398 7.803 307 HD11 LEU 42 1HD1 LEU 42 1.801 3.114 5.869 308 HD12 LEU 42 2HD1 LEU 42 0.281 3.968 5.608 309 HD13 LEU 42 3HD1 LEU 42 0.281 2.221 5.848 310 HD21 LEU 42 3HD2 LEU 42 -1.477 3.026 7.985 311 HD22 LEU 42 1HD2 LEU 42 -0.417 2.396 9.246 312 HD23 LEU 42 2HD2 LEU 42 -0.546 1.555 7.702 313 H SER 43 H SER 43 3.542 0.742 10.203 314 HA SER 43 HA SER 43 6.120 1.868 9.896 315 HB2 SER 43 2HB SER 43 5.545 1.435 12.120 316 HB3 SER 43 1HB SER 43 4.951 -0.183 11.750 317 HG SER 43 HG SER 43 7.537 0.702 12.226 318 H THR 44 H THR 44 4.702 -1.127 8.904 319 HA THR 44 HA THR 44 7.289 -2.248 8.155 320 HB THR 44 HB THR 44 6.256 -4.312 7.957 321 HG1 THR 44 1HG THR 44 4.481 -4.523 6.883 322 HG21 THR 44 3HG2 THR 44 4.548 -4.597 9.700 323 HG22 THR 44 1HG2 THR 44 4.446 -2.843 9.853 324 HG23 THR 44 2HG2 THR 44 5.947 -3.676 10.258 325 H ILE 45 H ILE 45 4.430 -0.855 6.801 326 HA ILE 45 HA ILE 45 4.491 -1.573 4.176 327 HB ILE 45 HB ILE 45 3.915 1.164 5.305 328 HG12 ILE 45 2HG1 ILE 45 2.372 -0.407 6.190 329 HG13 ILE 45 1HG1 ILE 45 1.530 0.381 4.860 330 HG21 ILE 45 1HG2 ILE 45 4.424 1.412 2.960 331 HG22 ILE 45 2HG2 ILE 45 2.685 1.574 3.201 332 HG23 ILE 45 3HG2 ILE 45 3.349 0.075 2.551 333 HD11 ILE 45 3HD1 ILE 45 2.488 -1.677 3.511 334 HD12 ILE 45 1HD1 ILE 45 0.990 -1.782 4.435 335 HD13 ILE 45 2HD1 ILE 45 2.489 -2.410 5.115 336 H ASP 46 H ASP 46 6.321 -1.837 3.056 337 HA ASP 46 HA ASP 46 8.647 -0.311 3.250 338 HB2 ASP 46 2HB ASP 46 8.547 -2.547 2.207 339 HB3 ASP 46 1HB ASP 46 7.645 -1.867 0.857 340 H LYS 47 H LYS 47 5.975 -0.086 0.900 341 HA LYS 47 HA LYS 47 6.502 2.744 0.579 342 HB2 LYS 47 2HB LYS 47 6.358 1.224 -1.985 343 HB3 LYS 47 1HB LYS 47 7.104 2.779 -1.646 344 HG2 LYS 47 2HG LYS 47 8.913 1.601 -0.437 345 HG3 LYS 47 1HG LYS 47 8.183 0.065 -0.911 346 HD2 LYS 47 2HD LYS 47 8.656 1.972 -3.105 347 HD3 LYS 47 1HD LYS 47 10.108 1.338 -2.326 348 HE2 LYS 47 2HE LYS 47 9.379 -0.932 -2.739 349 HE3 LYS 47 1HE LYS 47 7.857 -0.350 -3.414 350 HZ1 LYS 47 3HZ LYS 47 9.485 -0.971 -5.123 351 HZ2 LYS 47 1HZ LYS 47 10.540 0.222 -4.552 352 HZ3 LYS 47 2HZ LYS 47 9.051 0.661 -5.222 353 H LEU 48 H LEU 48 4.850 3.815 -0.730 354 HA LEU 48 HA LEU 48 2.278 2.384 -0.571 355 HB2 LEU 48 2HB LEU 48 2.412 4.341 0.870 356 HB3 LEU 48 1HB LEU 48 2.898 5.340 -0.485 357 HG LEU 48 HG LEU 48 0.611 4.691 -1.507 358 HD11 LEU 48 1HD1 LEU 48 0.376 3.710 1.293 359 HD12 LEU 48 2HD1 LEU 48 -0.276 3.034 -0.201 360 HD13 LEU 48 3HD1 LEU 48 -1.027 4.456 0.527 361 HD21 LEU 48 3HD2 LEU 48 1.483 6.869 -0.224 362 HD22 LEU 48 1HD2 LEU 48 0.188 6.390 0.873 363 HD23 LEU 48 2HD2 LEU 48 -0.167 6.704 -0.826 364 H GLN 49 H GLN 49 0.715 2.821 -2.279 365 HA GLN 49 HA GLN 49 1.827 3.918 -4.751 366 HB2 GLN 49 2HB GLN 49 1.185 1.088 -4.257 367 HB3 GLN 49 1HB GLN 49 0.507 1.746 -5.740 368 HG2 GLN 49 2HG GLN 49 2.532 2.002 -6.722 369 HG3 GLN 49 1HG GLN 49 3.358 2.313 -5.195 370 HE21 GLN 49 1HE2 GLN 49 3.682 0.389 -7.569 371 HE22 GLN 49 2HE2 GLN 49 3.964 -1.143 -6.802 372 H ALA 50 H ALA 50 0.335 4.782 -6.150 373 HA ALA 50 HA ALA 50 -2.499 4.427 -5.679 374 HB1 ALA 50 1HB ALA 50 -1.211 7.128 -5.308 375 HB2 ALA 50 2HB ALA 50 -1.969 6.150 -4.052 376 HB3 ALA 50 3HB ALA 50 -2.946 6.819 -5.358 377 H THR 51 H THR 51 -3.648 4.654 -7.512 378 HA THR 51 HA THR 51 -2.387 4.816 -10.001 379 HB THR 51 HB THR 51 -4.906 5.457 -10.678 380 HG1 THR 51 1HG THR 51 -5.522 5.769 -8.488 381 HG21 THR 51 3HG2 THR 51 -5.061 3.339 -11.319 382 HG22 THR 51 1HG2 THR 51 -4.919 2.741 -9.666 383 HG23 THR 51 2HG2 THR 51 -3.467 3.117 -10.595 384 HA PRO 52 HA PRO 52 -2.029 9.134 -10.705 385 HB2 PRO 52 2HB PRO 52 -1.652 8.847 -13.467 386 HB3 PRO 52 1HB PRO 52 -0.402 8.781 -12.227 387 HG2 PRO 52 2HG PRO 52 -1.289 6.663 -13.864 388 HG3 PRO 52 1HG PRO 52 -0.188 6.548 -12.484 389 HD2 PRO 52 2HD PRO 52 -3.067 5.930 -12.657 390 HD3 PRO 52 1HD PRO 52 -1.816 5.255 -11.595 391 H ALA 53 H ALA 53 -2.914 10.905 -11.985 392 HA ALA 53 HA ALA 53 -5.719 10.781 -12.195 393 HB1 ALA 53 1HB ALA 53 -3.638 12.792 -12.894 394 HB2 ALA 53 2HB ALA 53 -5.001 12.915 -11.780 395 HB3 ALA 53 3HB ALA 53 -5.272 13.010 -13.520 396 H SER 54 H SER 54 -3.399 9.519 -14.282 397 HA SER 54 HA SER 54 -4.923 10.025 -16.708 398 HB2 SER 54 2HB SER 54 -2.242 8.866 -16.088 399 HB3 SER 54 1HB SER 54 -3.024 8.404 -17.600 400 HG SER 54 HG SER 54 -2.848 10.411 -18.330 401 H SER 55 H SER 55 -4.596 7.614 -14.288 402 HA SER 55 HA SER 55 -5.634 5.468 -15.926 403 HB2 SER 55 2HB SER 55 -4.027 4.944 -14.156 404 HB3 SER 55 1HB SER 55 -5.123 5.609 -12.945 405 HG SER 55 HG SER 55 -5.845 3.476 -14.660 406 H GLU 56 H GLU 56 -7.710 4.929 -16.166 407 HA GLU 56 HA GLU 56 -9.752 6.603 -15.088 408 HB2 GLU 56 2HB GLU 56 -9.794 5.493 -17.357 409 HB3 GLU 56 1HB GLU 56 -10.132 3.981 -16.527 410 HG2 GLU 56 2HG GLU 56 -12.274 4.513 -16.156 411 HG3 GLU 56 1HG GLU 56 -11.901 6.197 -15.794 412 H LYS 57 H LYS 57 -8.332 3.602 -14.167 413 HA LYS 57 HA LYS 57 -10.479 3.092 -12.234 414 HB2 LYS 57 2HB LYS 57 -8.174 1.226 -12.623 415 HB3 LYS 57 1HB LYS 57 -9.832 0.869 -12.164 416 HG2 LYS 57 2HG LYS 57 -8.811 1.575 -14.905 417 HG3 LYS 57 1HG LYS 57 -9.453 0.023 -14.362 418 HD2 LYS 57 2HD LYS 57 -10.997 2.609 -14.545 419 HD3 LYS 57 1HD LYS 57 -11.102 1.262 -15.680 420 HE2 LYS 57 2HE LYS 57 -11.707 -0.141 -13.599 421 HE3 LYS 57 1HE LYS 57 -12.031 1.413 -12.834 422 HZ1 LYS 57 3HZ LYS 57 -13.620 1.902 -14.589 423 HZ2 LYS 57 1HZ LYS 57 -14.032 0.465 -13.795 424 HZ3 LYS 57 2HZ LYS 57 -13.307 0.411 -15.323 425 H MET 58 H MET 58 -10.206 3.950 -10.292 426 HA MET 58 HA MET 58 -7.615 4.760 -9.342 427 HB2 MET 58 2HB MET 58 -10.418 4.959 -8.298 428 HB3 MET 58 1HB MET 58 -9.061 5.273 -7.224 429 HG2 MET 58 2HG MET 58 -9.397 7.378 -7.950 430 HG3 MET 58 1HG MET 58 -8.332 6.833 -9.244 431 HE1 MET 58 3HE MET 58 -8.983 7.785 -11.604 432 HE2 MET 58 1HE MET 58 -10.324 6.920 -12.353 433 HE3 MET 58 2HE MET 58 -9.063 6.027 -11.501 434 H MET 59 H MET 59 -6.237 3.451 -8.343 435 HA MET 59 HA MET 59 -7.216 1.539 -6.381 436 HB2 MET 59 2HB MET 59 -5.491 0.685 -8.711 437 HB3 MET 59 1HB MET 59 -5.934 -0.325 -7.342 438 HG2 MET 59 2HG MET 59 -8.266 -0.219 -7.978 439 HG3 MET 59 1HG MET 59 -7.874 0.874 -9.305 440 HE1 MET 59 3HE MET 59 -4.950 -0.859 -10.220 441 HE2 MET 59 1HE MET 59 -6.035 0.266 -11.035 442 HE3 MET 59 2HE MET 59 -5.797 -1.356 -11.685 443 H LEU 60 H LEU 60 -5.814 1.181 -4.731 444 HA LEU 60 HA LEU 60 -3.169 2.471 -4.946 445 HB2 LEU 60 2HB LEU 60 -5.157 2.418 -2.704 446 HB3 LEU 60 1HB LEU 60 -3.453 2.653 -2.371 447 HG LEU 60 HG LEU 60 -3.590 4.596 -4.058 448 HD11 LEU 60 1HD1 LEU 60 -5.571 5.323 -4.821 449 HD12 LEU 60 2HD1 LEU 60 -6.411 4.934 -3.319 450 HD13 LEU 60 3HD1 LEU 60 -6.093 3.669 -4.506 451 HD21 LEU 60 3HD2 LEU 60 -3.213 5.044 -1.762 452 HD22 LEU 60 1HD2 LEU 60 -4.878 4.642 -1.341 453 HD23 LEU 60 2HD2 LEU 60 -4.531 6.099 -2.271 454 H ARG 61 H ARG 61 -1.400 1.376 -4.224 455 HA ARG 61 HA ARG 61 -1.861 -1.367 -3.262 456 HB2 ARG 61 2HB ARG 61 0.065 -0.234 -5.222 457 HB3 ARG 61 1HB ARG 61 0.636 -1.547 -4.201 458 HG2 ARG 61 2HG ARG 61 -0.980 -3.037 -5.042 459 HG3 ARG 61 1HG ARG 61 -1.900 -1.732 -5.793 460 HD2 ARG 61 2HD ARG 61 -0.816 -2.350 -7.662 461 HD3 ARG 61 1HD ARG 61 0.516 -1.415 -6.983 462 HE ARG 61 HE ARG 61 0.639 -4.051 -6.011 463 HH11 ARG 61 1HH1 ARG 61 1.113 -2.249 -8.961 464 HH12 ARG 61 2HH1 ARG 61 2.274 -3.362 -9.602 465 HH21 ARG 61 1HH2 ARG 61 2.165 -5.517 -6.853 466 HH22 ARG 61 2HH2 ARG 61 2.871 -5.218 -8.405 467 H LEU 62 H LEU 62 -0.599 -2.163 -1.584 468 HA LEU 62 HA LEU 62 1.061 -0.178 -0.183 469 HB2 LEU 62 2HB LEU 62 -1.386 -0.998 0.669 470 HB3 LEU 62 1HB LEU 62 -0.351 -2.154 1.477 471 HG LEU 62 HG LEU 62 0.372 -0.643 2.980 472 HD11 LEU 62 1HD1 LEU 62 0.843 1.733 2.482 473 HD12 LEU 62 2HD1 LEU 62 0.369 1.434 0.808 474 HD13 LEU 62 3HD1 LEU 62 1.766 0.603 1.492 475 HD21 LEU 62 3HD2 LEU 62 -1.238 1.112 3.475 476 HD22 LEU 62 1HD2 LEU 62 -2.048 -0.395 3.043 477 HD23 LEU 62 2HD2 LEU 62 -1.941 0.917 1.870 478 H ILE 63 H ILE 63 3.088 -0.918 -0.402 479 HA ILE 63 HA ILE 63 3.645 -3.769 -0.335 480 HB ILE 63 HB ILE 63 5.497 -1.401 -0.682 481 HG12 ILE 63 2HG1 ILE 63 3.988 -1.712 -2.567 482 HG13 ILE 63 1HG1 ILE 63 5.618 -2.199 -3.024 483 HG21 ILE 63 1HG2 ILE 63 6.565 -3.426 0.350 484 HG22 ILE 63 2HG2 ILE 63 7.247 -2.938 -1.199 485 HG23 ILE 63 3HG2 ILE 63 6.145 -4.311 -1.114 486 HD11 ILE 63 3HD1 ILE 63 3.197 -3.866 -2.576 487 HD12 ILE 63 1HD1 ILE 63 4.796 -4.569 -2.322 488 HD13 ILE 63 2HD1 ILE 63 4.365 -3.903 -3.899 489 H GLY 64 H GLY 64 4.611 -4.848 1.316 490 HA2 GLY 64 2HA GLY 64 5.004 -3.317 3.806 491 HA3 GLY 64 1HA GLY 64 4.574 -5.016 3.730 492 H LYS 65 H LYS 65 6.392 -5.183 5.270 493 HA LYS 65 HA LYS 65 8.974 -5.276 3.859 494 HB2 LYS 65 2HB LYS 65 8.261 -4.043 6.328 495 HB3 LYS 65 1HB LYS 65 9.352 -5.374 6.684 496 HG2 LYS 65 2HG LYS 65 10.415 -3.122 6.302 497 HG3 LYS 65 1HG LYS 65 11.067 -4.462 5.357 498 HD2 LYS 65 2HD LYS 65 10.272 -3.642 3.391 499 HD3 LYS 65 1HD LYS 65 8.855 -2.908 4.147 500 HE2 LYS 65 2HE LYS 65 11.682 -1.866 4.327 501 HE3 LYS 65 1HE LYS 65 10.419 -1.219 3.282 502 HZ1 LYS 65 3HZ LYS 65 9.510 -1.359 5.962 503 HZ2 LYS 65 1HZ LYS 65 9.645 -0.009 4.951 504 HZ3 LYS 65 2HZ LYS 65 10.964 -0.496 5.890 505 H VAL 66 H VAL 66 9.983 -7.176 3.706 506 HA VAL 66 HA VAL 66 8.709 -9.493 4.845 507 HB VAL 66 HB VAL 66 10.551 -9.000 2.653 508 HG11 VAL 66 1HG1 VAL 66 10.747 -11.580 4.193 509 HG12 VAL 66 2HG1 VAL 66 12.035 -10.408 3.921 510 HG13 VAL 66 3HG1 VAL 66 11.387 -11.334 2.569 511 HG21 VAL 66 3HG2 VAL 66 9.030 -11.396 2.382 512 HG22 VAL 66 1HG2 VAL 66 8.859 -9.868 1.519 513 HG23 VAL 66 2HG2 VAL 66 8.003 -10.122 3.040 514 H ASP 67 H ASP 67 10.893 -7.401 5.756 515 HA ASP 67 HA ASP 67 12.669 -7.285 7.204 516 HB2 ASP 67 2HB ASP 67 10.634 -9.054 8.512 517 HB3 ASP 67 1HB ASP 67 12.145 -8.691 9.338 518 H GLU 68 H GLU 68 13.003 -9.272 5.129 519 HA GLU 68 HA GLU 68 14.223 -11.139 4.571 520 HB2 GLU 68 2HB GLU 68 15.903 -9.453 6.371 521 HB3 GLU 68 1HB GLU 68 16.529 -11.018 5.873 522 HG2 GLU 68 2HG GLU 68 15.911 -10.206 3.484 523 HG3 GLU 68 1HG GLU 68 15.933 -8.607 4.224 524 H SER 69 H SER 69 12.330 -11.585 6.700 525 HA SER 69 HA SER 69 13.610 -13.931 7.908 526 HB2 SER 69 2HB SER 69 13.493 -11.950 9.526 527 HB3 SER 69 1HB SER 69 11.745 -12.186 9.510 528 HG SER 69 HG SER 69 13.696 -13.638 10.758 529 H LYS 70 H LYS 70 11.691 -13.456 5.678 530 HA LYS 70 HA LYS 70 9.556 -15.216 6.676 531 HB2 LYS 70 2HB LYS 70 9.090 -13.088 4.593 532 HB3 LYS 70 1HB LYS 70 7.890 -14.053 5.442 533 HG2 LYS 70 2HG LYS 70 9.690 -12.179 6.928 534 HG3 LYS 70 1HG LYS 70 8.220 -11.605 6.138 535 HD2 LYS 70 2HD LYS 70 7.883 -14.009 7.796 536 HD3 LYS 70 1HD LYS 70 8.335 -12.550 8.681 537 HE2 LYS 70 2HE LYS 70 6.420 -11.562 7.056 538 HE3 LYS 70 1HE LYS 70 5.838 -13.214 7.261 539 HZ1 LYS 70 3HZ LYS 70 5.400 -12.887 9.440 540 HZ2 LYS 70 1HZ LYS 70 5.248 -11.276 8.947 541 HZ3 LYS 70 2HZ LYS 70 6.681 -11.808 9.670 542 H LYS 71 H LYS 71 12.111 -15.658 5.156 543 HA LYS 71 HA LYS 71 11.551 -16.221 2.470 544 HB2 LYS 71 2HB LYS 71 13.475 -17.937 2.759 545 HB3 LYS 71 1HB LYS 71 13.817 -16.220 2.910 546 HG2 LYS 71 2HG LYS 71 13.101 -17.622 5.398 547 HG3 LYS 71 1HG LYS 71 14.645 -18.062 4.664 548 HD2 LYS 71 2HD LYS 71 15.525 -15.956 4.929 549 HD3 LYS 71 1HD LYS 71 13.936 -15.184 4.932 550 HE2 LYS 71 2HE LYS 71 13.544 -15.713 7.156 551 HE3 LYS 71 1HE LYS 71 14.708 -17.035 7.151 552 HZ1 LYS 71 3HZ LYS 71 16.483 -15.585 7.343 553 HZ2 LYS 71 1HZ LYS 71 15.321 -14.865 8.340 554 HZ3 LYS 71 2HZ LYS 71 15.605 -14.249 6.790 555 H ARG 72 H ARG 72 11.083 -18.190 1.401 556 HA ARG 72 HA ARG 72 10.578 -20.635 2.655 557 HB2 ARG 72 2HB ARG 72 8.055 -20.615 2.490 558 HB3 ARG 72 1HB ARG 72 8.742 -19.671 3.805 559 HG2 ARG 72 2HG ARG 72 7.156 -18.232 3.000 560 HG3 ARG 72 1HG ARG 72 8.581 -17.705 2.101 561 HD2 ARG 72 2HD ARG 72 7.865 -18.725 0.132 562 HD3 ARG 72 1HD ARG 72 6.738 -19.784 0.979 563 HE ARG 72 HE ARG 72 5.868 -17.196 1.419 564 HH11 ARG 72 1HH1 ARG 72 6.351 -19.302 -1.321 565 HH12 ARG 72 2HH1 ARG 72 5.092 -18.573 -2.261 566 HH21 ARG 72 1HH2 ARG 72 4.212 -16.236 0.184 567 HH22 ARG 72 2HH2 ARG 72 3.878 -16.833 -1.407 568 H LYS 73 H LYS 73 9.223 -22.113 1.224 569 HA LYS 73 HA LYS 73 10.245 -22.037 -1.391 570 HB2 LYS 73 2HB LYS 73 7.812 -23.609 -0.566 571 HB3 LYS 73 1HB LYS 73 9.003 -24.016 -1.793 572 HG2 LYS 73 2HG LYS 73 10.303 -23.723 0.739 573 HG3 LYS 73 1HG LYS 73 8.936 -24.827 0.895 574 HD2 LYS 73 2HD LYS 73 9.782 -26.143 -0.986 575 HD3 LYS 73 1HD LYS 73 11.144 -25.034 -1.153 576 HE2 LYS 73 2HE LYS 73 12.244 -25.915 0.606 577 HE3 LYS 73 1HE LYS 73 10.766 -26.160 1.537 578 HZ1 LYS 73 3HZ LYS 73 12.133 -27.965 -0.286 579 HZ2 LYS 73 1HZ LYS 73 10.442 -27.982 -0.361 580 HZ3 LYS 73 2HZ LYS 73 11.227 -28.307 1.101 581 H ASP 74 H ASP 74 8.986 -22.020 -3.404 582 HA ASP 74 HA ASP 74 6.966 -19.896 -3.315 583 HB2 ASP 74 2HB ASP 74 7.417 -19.815 -5.827 584 HB3 ASP 74 1HB ASP 74 8.729 -19.296 -4.774 585 H ASN 75 H ASN 75 6.379 -22.687 -2.657 586 HA ASN 75 HA ASN 75 4.565 -24.051 -2.919 587 HB2 ASN 75 2HB ASN 75 3.504 -21.874 -3.848 588 HB3 ASN 75 1HB ASN 75 3.762 -22.610 -5.427 589 HD21 ASN 75 1HD2 ASN 75 1.248 -21.986 -4.578 590 HD22 ASN 75 2HD2 ASN 75 0.357 -23.434 -4.267 591 H GLU 76 H GLU 76 7.127 -23.791 -4.945 592 HA GLU 76 HA GLU 76 6.276 -26.011 -6.663 593 HB2 GLU 76 2HB GLU 76 8.873 -24.657 -7.124 594 HB3 GLU 76 1HB GLU 76 7.707 -25.269 -8.288 595 HG2 GLU 76 2HG GLU 76 6.303 -23.349 -7.972 596 HG3 GLU 76 1HG GLU 76 7.328 -22.771 -6.658 597 H GLY 77 H GLY 77 8.539 -25.020 -4.242 598 HA2 GLY 77 2HA GLY 77 9.281 -26.893 -2.772 599 HA3 GLY 77 1HA GLY 77 9.700 -27.739 -4.253 600 H ASN 78 H ASN 78 10.268 -24.315 -3.727 601 HA ASN 78 HA ASN 78 13.119 -24.825 -3.295 602 HB2 ASN 78 2HB ASN 78 11.889 -23.495 -5.653 603 HB3 ASN 78 1HB ASN 78 13.347 -22.760 -4.991 604 HD21 ASN 78 1HD2 ASN 78 12.055 -25.264 -6.879 605 HD22 ASN 78 2HD2 ASN 78 13.537 -26.107 -7.204 606 H GLU 79 H GLU 79 13.350 -23.925 -1.338 607 HA GLU 79 HA GLU 79 11.883 -21.817 -0.270 608 HB2 GLU 79 2HB GLU 79 13.324 -23.389 1.021 609 HB3 GLU 79 1HB GLU 79 14.738 -22.539 0.411 610 HG2 GLU 79 2HG GLU 79 14.471 -20.807 1.816 611 HG3 GLU 79 1HG GLU 79 12.712 -20.848 1.705 612 H VAL 80 H VAL 80 11.689 -19.890 -1.225 613 HA VAL 80 HA VAL 80 14.151 -18.527 -2.103 614 HB VAL 80 HB VAL 80 12.844 -17.301 -3.741 615 HG11 VAL 80 1HG1 VAL 80 12.875 -18.941 -5.296 616 HG12 VAL 80 2HG1 VAL 80 11.914 -20.045 -4.312 617 HG13 VAL 80 3HG1 VAL 80 13.638 -19.848 -3.991 618 HG21 VAL 80 3HG2 VAL 80 10.433 -18.305 -4.111 619 HG22 VAL 80 1HG2 VAL 80 10.709 -16.986 -2.972 620 HG23 VAL 80 2HG2 VAL 80 10.557 -18.643 -2.385 621 H VAL 81 H VAL 81 13.402 -16.002 -2.375 622 HA VAL 81 HA VAL 81 12.556 -15.228 0.333 623 HB VAL 81 HB VAL 81 14.089 -13.559 -1.665 624 HG11 VAL 81 1HG1 VAL 81 13.269 -11.977 -0.260 625 HG12 VAL 81 2HG1 VAL 81 14.657 -12.476 0.706 626 HG13 VAL 81 3HG1 VAL 81 13.054 -13.113 1.073 627 HG21 VAL 81 3HG2 VAL 81 15.459 -14.528 0.749 628 HG22 VAL 81 1HG2 VAL 81 16.050 -14.360 -0.904 629 HG23 VAL 81 2HG2 VAL 81 15.087 -15.766 -0.451 630 HA PRO 82 HA PRO 82 8.927 -14.225 -2.440 631 HB2 PRO 82 2HB PRO 82 7.322 -14.086 -0.135 632 HB3 PRO 82 1HB PRO 82 7.410 -15.423 -1.282 633 HG2 PRO 82 2HG PRO 82 8.758 -15.084 1.341 634 HG3 PRO 82 1HG PRO 82 8.170 -16.559 0.556 635 HD2 PRO 82 2HD PRO 82 10.782 -15.981 0.666 636 HD3 PRO 82 1HD PRO 82 10.069 -16.763 -0.761 637 H LYS 83 H LYS 83 8.198 -12.233 -2.888 638 HA LYS 83 HA LYS 83 9.383 -9.955 -1.832 639 HB2 LYS 83 2HB LYS 83 7.131 -10.539 -3.640 640 HB3 LYS 83 1HB LYS 83 7.045 -8.975 -2.843 641 HG2 LYS 83 2HG LYS 83 8.342 -8.222 -4.480 642 HG3 LYS 83 1HG LYS 83 9.660 -9.101 -3.701 643 HD2 LYS 83 2HD LYS 83 9.849 -10.121 -5.698 644 HD3 LYS 83 1HD LYS 83 8.484 -11.086 -5.131 645 HE2 LYS 83 2HE LYS 83 7.810 -8.516 -6.413 646 HE3 LYS 83 1HE LYS 83 8.510 -9.742 -7.468 647 HZ1 LYS 83 3HZ LYS 83 6.771 -11.217 -7.015 648 HZ2 LYS 83 1HZ LYS 83 6.005 -9.723 -7.233 649 HZ3 LYS 83 2HZ LYS 83 6.235 -10.337 -5.674 650 HA PRO 84 HA PRO 84 7.239 -8.746 1.825 651 HB2 PRO 84 2HB PRO 84 6.449 -6.181 1.340 652 HB3 PRO 84 1HB PRO 84 8.112 -6.639 1.724 653 HG2 PRO 84 2HG PRO 84 6.855 -6.136 -0.944 654 HG3 PRO 84 1HG PRO 84 8.422 -5.583 -0.326 655 HD2 PRO 84 2HD PRO 84 8.251 -7.669 -1.988 656 HD3 PRO 84 1HD PRO 84 9.421 -7.656 -0.651 657 H GLN 85 H GLN 85 5.136 -8.014 2.733 658 HA GLN 85 HA GLN 85 2.970 -9.271 1.433 659 HB2 GLN 85 2HB GLN 85 1.580 -8.247 3.222 660 HB3 GLN 85 1HB GLN 85 2.990 -9.099 3.838 661 HG2 GLN 85 2HG GLN 85 4.158 -6.933 4.052 662 HG3 GLN 85 1HG GLN 85 2.681 -6.121 3.536 663 HE21 GLN 85 1HE2 GLN 85 4.420 -7.367 6.135 664 HE22 GLN 85 2HE2 GLN 85 3.194 -7.214 7.354 665 H ARG 86 H ARG 86 1.944 -8.559 -0.306 666 HA ARG 86 HA ARG 86 1.794 -5.664 -0.781 667 HB2 ARG 86 2HB ARG 86 1.295 -7.913 -2.735 668 HB3 ARG 86 1HB ARG 86 1.407 -6.200 -3.113 669 HG2 ARG 86 2HG ARG 86 3.656 -6.203 -3.083 670 HG3 ARG 86 1HG ARG 86 3.743 -7.348 -1.745 671 HD2 ARG 86 2HD ARG 86 2.769 -8.321 -4.382 672 HD3 ARG 86 1HD ARG 86 4.494 -8.012 -4.189 673 HE ARG 86 HE ARG 86 3.709 -9.544 -2.018 674 HH11 ARG 86 1HH1 ARG 86 3.835 -9.878 -5.491 675 HH12 ARG 86 2HH1 ARG 86 4.060 -11.594 -5.442 676 HH21 ARG 86 1HH2 ARG 86 4.006 -11.801 -1.953 677 HH22 ARG 86 2HH2 ARG 86 4.157 -12.686 -3.435 678 H HIS 87 H HIS 87 -0.038 -4.710 -0.243 679 HA HIS 87 HA HIS 87 -2.527 -6.271 -0.263 680 HB2 HIS 87 2HB HIS 87 -2.153 -3.546 0.976 681 HB3 HIS 87 1HB HIS 87 -3.416 -4.727 1.307 682 HD1 HIS 87 1HD HIS 87 -2.261 -7.122 2.297 683 HD2 HIS 87 2HD HIS 87 -0.306 -3.511 2.931 684 HE1 HIS 87 1HE HIS 87 -0.709 -7.529 4.234 685 HE2 HIS 87 2HE HIS 87 0.525 -5.355 4.544 686 H MET 88 H MET 88 -3.629 -6.084 -2.101 687 HA MET 88 HA MET 88 -3.388 -3.698 -3.733 688 HB2 MET 88 2HB MET 88 -3.377 -6.018 -4.695 689 HB3 MET 88 1HB MET 88 -5.070 -6.154 -4.244 690 HG2 MET 88 2HG MET 88 -5.672 -5.175 -6.126 691 HG3 MET 88 1HG MET 88 -4.740 -3.742 -5.699 692 HE1 MET 88 3HE MET 88 -4.011 -3.178 -8.412 693 HE2 MET 88 1HE MET 88 -2.281 -3.516 -8.352 694 HE3 MET 88 2HE MET 88 -3.098 -2.840 -6.942 695 H PHE 89 H PHE 89 -4.584 -1.998 -3.215 696 HA PHE 89 HA PHE 89 -7.327 -2.434 -2.245 697 HB2 PHE 89 2HB PHE 89 -5.484 -0.056 -1.931 698 HB3 PHE 89 1HB PHE 89 -7.166 -0.078 -1.411 699 HD1 PHE 89 1HD PHE 89 -7.776 -2.142 0.145 700 HD2 PHE 89 2HD PHE 89 -3.873 -0.526 -0.372 701 HE1 PHE 89 1HE PHE 89 -7.097 -3.101 2.307 702 HE2 PHE 89 2HE PHE 89 -3.187 -1.483 1.788 703 HZ PHE 89 HZ PHE 89 -4.799 -2.772 3.131 704 H SER 90 H SER 90 -9.027 -1.691 -3.388 705 HA SER 90 HA SER 90 -8.426 -0.223 -5.868 706 HB2 SER 90 2HB SER 90 -10.985 -1.254 -6.161 707 HB3 SER 90 1HB SER 90 -9.509 -1.938 -6.840 708 HG SER 90 HG SER 90 -9.404 -3.376 -5.204 709 H PHE 91 H PHE 91 -8.991 1.836 -5.854 710 HA PHE 91 HA PHE 91 -11.031 2.766 -3.983 711 HB2 PHE 91 2HB PHE 91 -8.904 4.152 -5.601 712 HB3 PHE 91 1HB PHE 91 -10.203 5.056 -4.828 713 HD1 PHE 91 1HD PHE 91 -8.099 2.174 -3.732 714 HD2 PHE 91 2HD PHE 91 -9.401 6.154 -2.983 715 HE1 PHE 91 1HE PHE 91 -6.835 2.185 -1.624 716 HE2 PHE 91 2HE PHE 91 -8.141 6.173 -0.874 717 HZ PHE 91 HZ PHE 91 -6.856 4.188 -0.186 718 H ASN 92 H ASN 92 -12.677 4.297 -4.707 719 HA ASN 92 HA ASN 92 -13.434 3.891 -7.526 720 HB2 ASN 92 2HB ASN 92 -15.101 3.658 -5.040 721 HB3 ASN 92 1HB ASN 92 -15.848 4.069 -6.582 722 HD21 ASN 92 1HD2 ASN 92 -16.472 1.773 -5.155 723 HD22 ASN 92 2HD2 ASN 92 -15.947 0.396 -6.058 724 H ASN 93 H ASN 93 -11.977 6.122 -6.503 725 HA ASN 93 HA ASN 93 -13.436 8.231 -7.638 726 HB2 ASN 93 2HB ASN 93 -14.411 7.771 -5.155 727 HB3 ASN 93 1HB ASN 93 -13.124 8.910 -4.776 728 HD21 ASN 93 1HD2 ASN 93 -14.231 10.706 -4.329 729 HD22 ASN 93 2HD2 ASN 93 -15.319 11.499 -5.424 730 H ARG 94 H ARG 94 -12.266 10.220 -7.686 731 HA ARG 94 HA ARG 94 -9.418 9.820 -7.560 732 HB2 ARG 94 2HB ARG 94 -9.400 12.240 -8.373 733 HB3 ARG 94 1HB ARG 94 -10.136 11.047 -9.434 734 HG2 ARG 94 2HG ARG 94 -12.237 11.881 -9.146 735 HG3 ARG 94 1HG ARG 94 -11.893 12.490 -7.526 736 HD2 ARG 94 2HD ARG 94 -11.684 14.510 -8.436 737 HD3 ARG 94 1HD ARG 94 -10.198 13.935 -9.187 738 HE ARG 94 HE ARG 94 -12.725 14.411 -10.476 739 HH11 ARG 94 1HH1 ARG 94 -9.696 12.688 -10.656 740 HH12 ARG 94 2HH1 ARG 94 -9.765 12.495 -12.375 741 HH21 ARG 94 1HH2 ARG 94 -12.818 14.158 -12.737 742 HH22 ARG 94 2HH2 ARG 94 -11.537 13.329 -13.556 743 H THR 95 H THR 95 -11.843 11.555 -5.734 744 HA THR 95 HA THR 95 -9.981 13.072 -4.192 745 HB THR 95 HB THR 95 -12.856 12.826 -4.431 746 HG1 THR 95 1HG THR 95 -11.628 14.666 -4.998 747 HG21 THR 95 3HG2 THR 95 -11.693 13.181 -1.699 748 HG22 THR 95 1HG2 THR 95 -13.005 12.118 -2.208 749 HG23 THR 95 2HG2 THR 95 -13.255 13.864 -2.158 750 H VAL 96 H VAL 96 -11.644 10.002 -3.791 751 HA VAL 96 HA VAL 96 -10.962 9.677 -1.046 752 HB VAL 96 HB VAL 96 -12.834 8.459 -2.154 753 HG11 VAL 96 1HG1 VAL 96 -12.543 7.185 -3.946 754 HG12 VAL 96 2HG1 VAL 96 -11.310 6.229 -3.129 755 HG13 VAL 96 3HG1 VAL 96 -10.858 7.701 -3.987 756 HG21 VAL 96 3HG2 VAL 96 -12.710 6.662 -0.724 757 HG22 VAL 96 1HG2 VAL 96 -11.506 7.743 -0.021 758 HG23 VAL 96 2HG2 VAL 96 -10.994 6.395 -1.036 759 H MET 97 H MET 97 -9.347 8.953 -4.054 760 HA MET 97 HA MET 97 -7.369 7.241 -2.883 761 HB2 MET 97 2HB MET 97 -6.189 7.558 -5.067 762 HB3 MET 97 1HB MET 97 -7.831 6.948 -5.214 763 HG2 MET 97 2HG MET 97 -8.638 9.084 -5.895 764 HG3 MET 97 1HG MET 97 -7.088 9.842 -5.533 765 HE1 MET 97 3HE MET 97 -4.735 8.132 -7.126 766 HE2 MET 97 1HE MET 97 -5.136 9.802 -6.723 767 HE3 MET 97 2HE MET 97 -4.903 9.333 -8.407 768 H ASP 98 H ASP 98 -7.688 10.620 -3.594 769 HA ASP 98 HA ASP 98 -4.980 11.344 -3.145 770 HB2 ASP 98 2HB ASP 98 -7.061 12.648 -4.224 771 HB3 ASP 98 1HB ASP 98 -7.128 13.325 -2.600 772 H ASN 99 H ASN 99 -7.719 10.800 -1.062 773 HA ASN 99 HA ASN 99 -6.621 12.147 1.217 774 HB2 ASN 99 2HB ASN 99 -8.852 10.118 0.986 775 HB3 ASN 99 1HB ASN 99 -8.448 10.995 2.459 776 HD21 ASN 99 1HD2 ASN 99 -10.947 11.045 1.151 777 HD22 ASN 99 2HD2 ASN 99 -11.230 12.671 0.611 778 H ILE 100 H ILE 100 -7.055 8.711 0.377 779 HA ILE 100 HA ILE 100 -5.622 7.733 2.619 780 HB ILE 100 HB ILE 100 -6.184 6.368 -0.018 781 HG12 ILE 100 2HG1 ILE 100 -8.191 7.185 1.254 782 HG13 ILE 100 1HG1 ILE 100 -8.135 5.440 1.029 783 HG21 ILE 100 1HG2 ILE 100 -5.004 5.428 2.547 784 HG22 ILE 100 2HG2 ILE 100 -4.585 5.003 0.888 785 HG23 ILE 100 3HG2 ILE 100 -6.034 4.328 1.632 786 HD11 ILE 100 3HD1 ILE 100 -7.632 7.018 3.522 787 HD12 ILE 100 1HD1 ILE 100 -7.113 5.342 3.354 788 HD13 ILE 100 2HD1 ILE 100 -8.823 5.750 3.234 789 H LYS 101 H LYS 101 -4.722 8.252 -0.775 790 HA LYS 101 HA LYS 101 -2.154 7.200 -0.705 791 HB2 LYS 101 2HB LYS 101 -3.292 7.865 -2.772 792 HB3 LYS 101 1HB LYS 101 -3.159 9.556 -2.311 793 HG2 LYS 101 2HG LYS 101 -0.623 9.118 -2.250 794 HG3 LYS 101 1HG LYS 101 -1.007 7.668 -3.179 795 HD2 LYS 101 2HD LYS 101 -0.771 9.044 -4.949 796 HD3 LYS 101 1HD LYS 101 -2.420 9.526 -4.547 797 HE2 LYS 101 2HE LYS 101 -1.465 11.587 -4.612 798 HE3 LYS 101 1HE LYS 101 -1.127 11.187 -2.928 799 HZ1 LYS 101 3HZ LYS 101 0.706 11.224 -5.229 800 HZ2 LYS 101 1HZ LYS 101 1.043 10.215 -3.913 801 HZ3 LYS 101 2HZ LYS 101 0.911 11.886 -3.686 802 H MET 102 H MET 102 -3.271 10.445 0.168 803 HA MET 102 HA MET 102 -0.589 11.335 0.735 804 HB2 MET 102 2HB MET 102 -1.533 13.462 1.218 805 HB3 MET 102 1HB MET 102 -2.386 12.832 -0.183 806 HG2 MET 102 2HG MET 102 -4.177 12.051 1.406 807 HG3 MET 102 1HG MET 102 -3.358 12.986 2.654 808 HE1 MET 102 3HE MET 102 -3.600 15.082 3.175 809 HE2 MET 102 1HE MET 102 -5.361 15.107 3.108 810 HE3 MET 102 2HE MET 102 -4.432 16.391 2.336 811 H THR 103 H THR 103 -3.482 10.630 2.605 812 HA THR 103 HA THR 103 -2.517 11.257 5.132 813 HB THR 103 HB THR 103 -4.499 9.114 4.339 814 HG1 THR 103 1HG THR 103 -5.916 10.672 4.318 815 HG21 THR 103 3HG2 THR 103 -4.996 10.255 6.912 816 HG22 THR 103 1HG2 THR 103 -3.391 9.526 6.877 817 HG23 THR 103 2HG2 THR 103 -4.806 8.562 6.454 818 H LEU 104 H LEU 104 -2.351 8.142 3.414 819 HA LEU 104 HA LEU 104 -1.104 6.706 5.463 820 HB2 LEU 104 2HB LEU 104 -1.416 6.406 2.545 821 HB3 LEU 104 1HB LEU 104 -0.035 5.572 3.233 822 HG LEU 104 HG LEU 104 -1.466 4.307 4.716 823 HD11 LEU 104 1HD1 LEU 104 -4.043 4.641 4.087 824 HD12 LEU 104 2HD1 LEU 104 -3.475 6.293 3.857 825 HD13 LEU 104 3HD1 LEU 104 -3.257 5.494 5.415 826 HD21 LEU 104 3HD2 LEU 104 -2.805 3.061 3.049 827 HD22 LEU 104 1HD2 LEU 104 -1.148 3.365 2.523 828 HD23 LEU 104 2HD2 LEU 104 -2.470 4.335 1.874 829 H GLN 105 H GLN 105 0.348 8.415 2.699 830 HA GLN 105 HA GLN 105 3.018 8.028 3.252 831 HB2 GLN 105 2HB GLN 105 1.484 9.697 1.561 832 HB3 GLN 105 1HB GLN 105 2.638 10.737 2.386 833 HG2 GLN 105 2HG GLN 105 4.478 9.514 1.554 834 HG3 GLN 105 1HG GLN 105 3.439 8.207 0.985 835 HE21 GLN 105 1HE2 GLN 105 1.626 9.123 -0.527 836 HE22 GLN 105 2HE2 GLN 105 2.212 10.140 -1.806 837 H GLN 106 H GLN 106 0.791 10.337 4.692 838 HA GLN 106 HA GLN 106 2.653 11.887 6.092 839 HB2 GLN 106 2HB GLN 106 -0.245 11.299 6.390 840 HB3 GLN 106 1HB GLN 106 0.574 12.007 7.771 841 HG2 GLN 106 2HG GLN 106 -0.597 13.466 5.902 842 HG3 GLN 106 1HG GLN 106 0.837 14.012 6.766 843 HE21 GLN 106 1HE2 GLN 106 2.865 13.902 5.706 844 HE22 GLN 106 2HE2 GLN 106 2.964 13.870 3.973 845 H ILE 107 H ILE 107 1.332 8.749 6.700 846 HA ILE 107 HA ILE 107 2.436 8.567 9.377 847 HB ILE 107 HB ILE 107 1.069 6.519 7.621 848 HG12 ILE 107 2HG1 ILE 107 -0.247 7.105 10.114 849 HG13 ILE 107 1HG1 ILE 107 0.062 8.604 9.242 850 HG21 ILE 107 1HG2 ILE 107 1.984 6.242 10.481 851 HG22 ILE 107 2HG2 ILE 107 2.673 5.419 9.081 852 HG23 ILE 107 3HG2 ILE 107 1.022 5.066 9.588 853 HD11 ILE 107 3HD1 ILE 107 -1.022 7.573 7.249 854 HD12 ILE 107 1HD1 ILE 107 -2.093 7.823 8.627 855 HD13 ILE 107 2HD1 ILE 107 -1.473 6.210 8.275 856 H ILE 108 H ILE 108 3.083 7.471 6.122 857 HA ILE 108 HA ILE 108 5.167 5.663 6.580 858 HB ILE 108 HB ILE 108 4.923 7.550 4.235 859 HG12 ILE 108 2HG1 ILE 108 3.521 4.948 4.819 860 HG13 ILE 108 1HG1 ILE 108 2.807 6.513 4.467 861 HG21 ILE 108 1HG2 ILE 108 6.145 5.963 2.992 862 HG22 ILE 108 2HG2 ILE 108 6.050 4.766 4.285 863 HG23 ILE 108 3HG2 ILE 108 7.032 6.217 4.495 864 HD11 ILE 108 3HD1 ILE 108 4.151 6.169 2.200 865 HD12 ILE 108 1HD1 ILE 108 2.517 5.552 2.447 866 HD13 ILE 108 2HD1 ILE 108 3.904 4.478 2.636 867 H SER 109 H SER 109 5.258 9.111 5.808 868 HA SER 109 HA SER 109 7.996 9.515 5.870 869 HB2 SER 109 2HB SER 109 5.619 11.254 6.264 870 HB3 SER 109 1HB SER 109 7.180 11.901 6.768 871 HG SER 109 HG SER 109 7.291 12.404 4.717 872 H ARG 110 H ARG 110 5.844 8.953 8.501 873 HA ARG 110 HA ARG 110 7.182 10.167 10.616 874 HB2 ARG 110 2HB ARG 110 5.740 7.510 10.681 875 HB3 ARG 110 1HB ARG 110 6.090 8.534 12.065 876 HG2 ARG 110 2HG ARG 110 4.651 10.285 11.102 877 HG3 ARG 110 1HG ARG 110 4.257 9.197 9.771 878 HD2 ARG 110 2HD ARG 110 3.154 7.678 11.216 879 HD3 ARG 110 1HD ARG 110 3.803 8.466 12.653 880 HE ARG 110 HE ARG 110 1.488 9.247 11.143 881 HH11 ARG 110 1HH1 ARG 110 3.988 10.349 13.314 882 HH12 ARG 110 2HH1 ARG 110 3.061 11.688 13.902 883 HH21 ARG 110 1HH2 ARG 110 0.267 11.008 11.915 884 HH22 ARG 110 2HH2 ARG 110 0.948 12.062 13.108 885 H TYR 111 H TYR 111 7.845 7.162 8.938 886 HA TYR 111 HA TYR 111 10.023 6.531 10.782 887 HB2 TYR 111 2HB TYR 111 9.559 4.812 8.414 888 HB3 TYR 111 1HB TYR 111 9.868 4.365 10.088 889 HD1 TYR 111 2HD TYR 111 7.925 4.691 11.760 890 HD2 TYR 111 1HD TYR 111 7.407 4.649 7.536 891 HE1 TYR 111 2HE TYR 111 5.538 4.183 12.063 892 HE2 TYR 111 1HE TYR 111 5.018 4.141 7.829 893 HH TYR 111 HH TYR 111 3.449 4.373 10.851 894 H LYS 112 H LYS 112 9.444 7.654 7.531 895 HA LYS 112 HA LYS 112 11.956 7.198 6.397 896 HB2 LYS 112 2HB LYS 112 10.001 7.914 5.098 897 HB3 LYS 112 1HB LYS 112 10.046 9.486 5.885 898 HG2 LYS 112 2HG LYS 112 11.881 10.181 4.703 899 HG3 LYS 112 1HG LYS 112 12.462 8.537 4.429 900 HD2 LYS 112 2HD LYS 112 11.643 9.479 2.353 901 HD3 LYS 112 1HD LYS 112 10.586 8.164 2.872 902 HE2 LYS 112 2HE LYS 112 8.950 9.656 2.460 903 HE3 LYS 112 1HE LYS 112 9.375 10.265 4.059 904 HZ1 LYS 112 3HZ LYS 112 9.284 11.801 1.908 905 HZ2 LYS 112 1HZ LYS 112 10.906 11.324 1.821 906 HZ3 LYS 112 2HZ LYS 112 10.327 12.106 3.204 907 H ASP 113 H ASP 113 10.759 9.954 8.278 908 HA ASP 113 HA ASP 113 13.020 11.586 8.049 909 HB2 ASP 113 2HB ASP 113 10.727 11.394 9.934 910 HB3 ASP 113 1HB ASP 113 12.125 12.324 10.463 911 H ALA 114 H ALA 114 12.357 8.840 10.102 912 HA ALA 114 HA ALA 114 14.729 9.296 11.718 913 HB1 ALA 114 1HB ALA 114 13.108 8.435 13.085 914 HB2 ALA 114 2HB ALA 114 13.939 6.950 12.617 915 HB3 ALA 114 3HB ALA 114 12.433 7.407 11.820 916 H ASP 115 H ASP 115 13.618 7.201 9.131 917 HA ASP 115 HA ASP 115 16.041 5.602 9.211 918 HB2 ASP 115 2HB ASP 115 13.526 4.945 8.522 919 HB3 ASP 115 1HB ASP 115 14.156 5.363 6.931 920 H TYR 90 1HT TYR 90 -3.482 2.232 -21.441 921 HA TYR 90 HA TYR 90 -2.046 0.430 -21.065 922 HB2 TYR 90 2HB TYR 90 -1.674 3.033 -19.687 923 HB3 TYR 90 1HB TYR 90 -0.510 1.771 -19.299 924 HD1 TYR 90 1HD TYR 90 0.565 0.563 -21.365 925 HD2 TYR 90 2HD TYR 90 -1.299 4.384 -21.530 926 HE1 TYR 90 1HE TYR 90 1.810 1.074 -23.422 927 HE2 TYR 90 2HE TYR 90 -0.059 4.905 -23.589 928 HH TYR 90 HH TYR 90 1.692 2.527 -25.333 929 H ASP 91 H ASP 91 -1.433 -1.292 -19.871 930 HA ASP 91 HA ASP 91 -2.814 -1.727 -17.349 931 HB2 ASP 91 2HB ASP 91 -1.396 -3.465 -19.321 932 HB3 ASP 91 1HB ASP 91 -1.548 -4.031 -17.660 933 H SER 92 H SER 92 0.419 -1.219 -18.572 934 HA SER 92 HA SER 92 1.648 -1.825 -16.015 935 HB2 SER 92 2HB SER 92 2.664 -1.082 -18.735 936 HB3 SER 92 1HB SER 92 3.719 -0.889 -17.334 937 HG SER 92 HG SER 92 4.041 -2.951 -17.407 938 H GLU 93 H GLU 93 0.673 0.958 -17.887 939 HA GLU 93 HA GLU 93 1.906 2.771 -15.946 940 HB2 GLU 93 2HB GLU 93 1.992 3.021 -18.551 941 HB3 GLU 93 1HB GLU 93 0.380 3.694 -18.353 942 HG2 GLU 93 2HG GLU 93 2.456 4.786 -16.573 943 HG3 GLU 93 1HG GLU 93 2.633 5.150 -18.289 944 H GLU 94 H GLU 94 -0.434 1.106 -15.315 945 HA GLU 94 HA GLU 94 -2.641 2.989 -15.169 946 HB2 GLU 94 2HB GLU 94 -3.902 1.142 -14.206 947 HB3 GLU 94 1HB GLU 94 -3.087 0.623 -15.674 948 HG2 GLU 94 2HG GLU 94 -1.302 -0.368 -14.265 949 HG3 GLU 94 1HG GLU 94 -2.256 0.045 -12.842 950 H PHE 95 H PHE 95 -0.222 1.550 -13.081 951 HA PHE 95 HA PHE 95 -1.347 2.965 -10.769 952 HB2 PHE 95 2HB PHE 95 -0.079 0.427 -11.092 953 HB3 PHE 95 1HB PHE 95 0.926 1.411 -10.033 954 HD1 PHE 95 2HD PHE 95 -0.132 2.447 -7.993 955 HD2 PHE 95 1HD PHE 95 -2.054 -0.554 -10.318 956 HE1 PHE 95 2HE PHE 95 -1.639 1.960 -6.110 957 HE2 PHE 95 1HE PHE 95 -3.565 -1.046 -8.440 958 HZ PHE 95 HZ PHE 95 -3.358 0.210 -6.332 959 H GLU 96 H GLU 96 -0.274 4.581 -9.745 960 HA GLU 96 HA GLU 96 2.067 5.660 -11.116 961 HB2 GLU 96 2HB GLU 96 -0.171 6.885 -10.181 962 HB3 GLU 96 1HB GLU 96 0.926 7.139 -8.830 963 HG2 GLU 96 2HG GLU 96 2.566 8.110 -10.420 964 HG3 GLU 96 1HG GLU 96 1.349 7.974 -11.689 965 H ASP 97 H ASP 97 3.770 6.687 -9.707 966 HA ASP 97 HA ASP 97 4.566 4.746 -7.671 967 HB2 ASP 97 2HB ASP 97 6.005 6.647 -9.449 968 HB3 ASP 97 1HB ASP 97 6.739 6.290 -7.889 969 H VAL 98 H VAL 98 5.652 5.553 -5.707 970 HA VAL 98 HA VAL 98 4.725 8.194 -4.829 971 HB VAL 98 HB VAL 98 4.472 5.796 -3.026 972 HG11 VAL 98 1HG1 VAL 98 4.341 7.564 -1.617 973 HG12 VAL 98 2HG1 VAL 98 2.661 7.558 -2.152 974 HG13 VAL 98 3HG1 VAL 98 3.814 8.675 -2.882 975 HG21 VAL 98 3HG2 VAL 98 3.039 5.498 -5.035 976 HG22 VAL 98 1HG2 VAL 98 2.245 7.024 -4.646 977 HG23 VAL 98 2HG2 VAL 98 2.127 5.660 -3.534 978 H THR 99 H THR 99 5.799 8.893 -2.792 979 HA THR 99 HA THR 99 8.529 8.900 -2.952 980 HB THR 99 HB THR 99 7.218 10.435 -1.543 981 HG1 THR 99 1HG THR 99 9.502 10.023 -1.150 982 HG21 THR 99 3HG2 THR 99 5.675 8.867 -0.505 983 HG22 THR 99 1HG2 THR 99 6.549 9.805 0.705 984 HG23 THR 99 2HG2 THR 99 7.012 8.134 0.384 985 H ASP 100 H ASP 100 10.125 7.518 -2.533 986 HA ASP 100 HA ASP 100 9.647 5.298 -0.675 987 HB2 ASP 100 2HB ASP 100 11.023 4.922 -3.337 988 HB3 ASP 100 1HB ASP 100 10.570 3.676 -2.178 989 H GLY 101 H GLY 101 12.143 6.813 -2.727 990 HA2 GLY 101 2HA GLY 101 13.850 7.166 -0.410 991 HA3 GLY 101 1HA GLY 101 14.447 6.014 -1.595 992 H ASN 102 H ASN 102 14.311 9.257 -0.693 993 HA ASN 102 HA ASN 102 14.481 10.584 -3.153 994 HB2 ASN 102 2HB ASN 102 14.222 11.553 -0.770 995 HB3 ASN 102 1HB ASN 102 15.981 11.488 -0.706 996 HD21 ASN 102 1HD2 ASN 102 16.143 13.719 -0.565 997 HD22 ASN 102 2HD2 ASN 102 15.855 14.751 -1.920 998 H GLU 103 H GLU 103 16.214 11.251 -4.411 999 HA GLU 103 HA GLU 103 18.923 10.698 -3.784 1000 HB2 GLU 103 2HB GLU 103 17.744 8.412 -4.436 1001 HB3 GLU 103 1HB GLU 103 18.027 9.004 -6.068 1002 HG2 GLU 103 2HG GLU 103 20.322 9.127 -4.222 1003 HG3 GLU 103 1HG GLU 103 19.782 7.518 -4.698 1004 H VAL 104 H VAL 104 20.373 11.129 -5.664 1005 HA VAL 104 HA VAL 104 19.083 12.816 -7.699 1006 HB VAL 104 HB VAL 104 20.028 14.277 -5.960 1007 HG11 VAL 104 1HG1 VAL 104 21.792 12.895 -5.101 1008 HG12 VAL 104 2HG1 VAL 104 22.497 14.393 -5.707 1009 HG13 VAL 104 3HG1 VAL 104 22.623 12.912 -6.656 1010 HG21 VAL 104 3HG2 VAL 104 21.865 15.288 -7.688 1011 HG22 VAL 104 1HG2 VAL 104 20.125 15.542 -7.815 1012 HG23 VAL 104 2HG2 VAL 104 20.903 14.274 -8.762 Start of MODEL 14 1 H2 PRO 1 1HT PRO 1 -12.567 13.004 7.423 2 H3 PRO 1 2HT PRO 1 -13.115 11.507 7.838 3 HA PRO 1 HA PRO 1 -13.003 10.723 5.909 4 HB2 PRO 1 2HB PRO 1 -13.440 12.848 4.075 5 HB3 PRO 1 1HB PRO 1 -14.535 11.519 4.472 6 HG2 PRO 1 2HG PRO 1 -14.446 14.281 5.552 7 HG3 PRO 1 1HG PRO 1 -15.834 13.203 5.330 8 HD2 PRO 1 2HD PRO 1 -14.858 13.674 7.767 9 HD3 PRO 1 1HD PRO 1 -15.413 12.050 7.316 10 H SER 2 H SER 2 -10.884 11.896 7.360 11 HA SER 2 HA SER 2 -9.139 12.861 5.189 12 HB2 SER 2 2HB SER 2 -8.536 13.318 8.098 13 HB3 SER 2 1HB SER 2 -7.975 14.224 6.693 14 HG SER 2 HG SER 2 -10.121 14.672 8.225 15 H HIS 3 H HIS 3 -9.082 11.054 8.260 16 HA HIS 3 HA HIS 3 -6.787 9.528 7.240 17 HB2 HIS 3 2HB HIS 3 -7.707 10.294 9.971 18 HB3 HIS 3 1HB HIS 3 -6.848 8.768 9.790 19 HD1 HIS 3 1HD HIS 3 -6.268 12.319 8.520 20 HD2 HIS 3 2HD HIS 3 -4.224 9.146 10.256 21 HE1 HIS 3 1HE HIS 3 -3.895 13.108 8.775 22 HE2 HIS 3 2HE HIS 3 -2.697 11.204 9.910 23 H SER 4 H SER 4 -9.354 8.948 6.245 24 HA SER 4 HA SER 4 -9.452 6.176 6.514 25 HB2 SER 4 2HB SER 4 -11.631 5.946 7.746 26 HB3 SER 4 1HB SER 4 -10.282 6.472 8.754 27 HG SER 4 HG SER 4 -11.069 8.639 8.446 28 H GLY 5 H GLY 5 -10.516 5.364 4.803 29 HA2 GLY 5 2HA GLY 5 -12.765 6.834 3.658 30 HA3 GLY 5 1HA GLY 5 -11.353 6.616 2.631 31 H ALA 6 H ALA 6 -13.968 5.585 2.091 32 HA ALA 6 HA ALA 6 -14.082 2.828 2.800 33 HB1 ALA 6 1HB ALA 6 -15.756 2.815 0.807 34 HB2 ALA 6 2HB ALA 6 -15.569 4.569 0.883 35 HB3 ALA 6 3HB ALA 6 -16.159 3.682 2.291 36 H ALA 7 H ALA 7 -12.536 1.479 2.181 37 HA ALA 7 HA ALA 7 -11.563 1.637 -0.601 38 HB1 ALA 7 1HB ALA 7 -9.476 0.781 0.104 39 HB2 ALA 7 2HB ALA 7 -10.113 0.313 1.679 40 HB3 ALA 7 3HB ALA 7 -9.906 2.020 1.285 41 H ILE 8 H ILE 8 -11.011 -0.389 -1.642 42 HA ILE 8 HA ILE 8 -12.853 -2.543 -0.848 43 HB ILE 8 HB ILE 8 -11.672 -2.031 -3.576 44 HG12 ILE 8 2HG1 ILE 8 -14.012 -0.904 -2.178 45 HG13 ILE 8 1HG1 ILE 8 -13.098 -0.264 -3.534 46 HG21 ILE 8 1HG2 ILE 8 -14.094 -3.692 -3.019 47 HG22 ILE 8 2HG2 ILE 8 -12.485 -4.384 -2.824 48 HG23 ILE 8 3HG2 ILE 8 -12.986 -3.750 -4.389 49 HD11 ILE 8 3HD1 ILE 8 -14.305 -1.731 -5.050 50 HD12 ILE 8 1HD1 ILE 8 -15.406 -0.703 -4.133 51 HD13 ILE 8 2HD1 ILE 8 -15.206 -2.399 -3.689 52 H PHE 9 H PHE 9 -12.159 -4.663 -0.750 53 HA PHE 9 HA PHE 9 -9.375 -5.266 -1.381 54 HB2 PHE 9 2HB PHE 9 -9.420 -4.515 0.999 55 HB3 PHE 9 1HB PHE 9 -10.539 -5.828 1.354 56 HD1 PHE 9 2HD PHE 9 -7.397 -5.641 -0.652 57 HD2 PHE 9 1HD PHE 9 -9.476 -7.431 2.602 58 HE1 PHE 9 2HE PHE 9 -5.493 -7.152 -0.271 59 HE2 PHE 9 1HE PHE 9 -7.576 -8.945 2.989 60 HZ PHE 9 HZ PHE 9 -5.580 -8.807 1.551 61 H GLU 10 H GLU 10 -9.297 -7.133 -2.438 62 HA GLU 10 HA GLU 10 -9.778 -9.238 -3.156 63 HB2 GLU 10 2HB GLU 10 -10.676 -9.224 -0.393 64 HB3 GLU 10 1HB GLU 10 -11.654 -10.300 -1.381 65 HG2 GLU 10 2HG GLU 10 -9.628 -11.442 -2.136 66 HG3 GLU 10 1HG GLU 10 -8.655 -10.367 -1.134 67 H LYS 11 H LYS 11 -11.357 -6.920 -3.919 68 HA LYS 11 HA LYS 11 -13.015 -6.600 -5.462 69 HB2 LYS 11 2HB LYS 11 -14.155 -9.316 -4.842 70 HB3 LYS 11 1HB LYS 11 -14.354 -8.356 -6.301 71 HG2 LYS 11 2HG LYS 11 -12.511 -9.188 -7.228 72 HG3 LYS 11 1HG LYS 11 -11.571 -8.989 -5.748 73 HD2 LYS 11 2HD LYS 11 -11.919 -11.118 -5.092 74 HD3 LYS 11 1HD LYS 11 -13.585 -11.131 -5.672 75 HE2 LYS 11 2HE LYS 11 -12.991 -11.808 -7.780 76 HE3 LYS 11 1HE LYS 11 -11.386 -11.083 -7.677 77 HZ1 LYS 11 3HZ LYS 11 -11.322 -13.515 -7.636 78 HZ2 LYS 11 1HZ LYS 11 -12.247 -13.524 -6.219 79 HZ3 LYS 11 2HZ LYS 11 -10.696 -12.851 -6.212 80 H VAL 12 H VAL 12 -13.372 -7.137 -2.197 81 HA VAL 12 HA VAL 12 -16.204 -6.377 -2.230 82 HB VAL 12 HB VAL 12 -15.566 -8.370 -0.885 83 HG11 VAL 12 1HG1 VAL 12 -14.595 -7.403 1.469 84 HG12 VAL 12 2HG1 VAL 12 -13.680 -6.476 0.285 85 HG13 VAL 12 3HG1 VAL 12 -13.647 -8.236 0.241 86 HG21 VAL 12 3HG2 VAL 12 -16.483 -6.542 1.207 87 HG22 VAL 12 1HG2 VAL 12 -17.274 -7.954 0.506 88 HG23 VAL 12 2HG2 VAL 12 -17.363 -6.396 -0.315 89 H SER 13 H SER 13 -16.887 -4.462 -1.397 90 HA SER 13 HA SER 13 -14.820 -2.498 -0.884 91 HB2 SER 13 2HB SER 13 -16.791 -0.901 -0.820 92 HB3 SER 13 1HB SER 13 -16.527 -1.733 -2.351 93 HG SER 13 HG SER 13 -18.408 -2.639 -2.145 94 H GLY 14 H GLY 14 -14.372 -1.569 1.022 95 HA2 GLY 14 2HA GLY 14 -16.151 -2.109 3.298 96 HA3 GLY 14 1HA GLY 14 -14.451 -2.546 3.412 97 H ILE 15 H ILE 15 -13.892 -1.164 5.034 98 HA ILE 15 HA ILE 15 -13.888 1.684 4.309 99 HB ILE 15 HB ILE 15 -14.252 0.810 7.156 100 HG12 ILE 15 2HG1 ILE 15 -16.124 -0.067 5.730 101 HG13 ILE 15 1HG1 ILE 15 -16.629 1.064 6.980 102 HG21 ILE 15 1HG2 ILE 15 -15.313 3.168 7.172 103 HG22 ILE 15 2HG2 ILE 15 -14.471 3.377 5.636 104 HG23 ILE 15 3HG2 ILE 15 -13.553 3.019 7.106 105 HD11 ILE 15 3HD1 ILE 15 -17.066 2.747 5.434 106 HD12 ILE 15 1HD1 ILE 15 -17.660 1.278 4.658 107 HD13 ILE 15 2HD1 ILE 15 -16.107 1.967 4.176 108 H ILE 16 H ILE 16 -11.893 2.413 4.243 109 HA ILE 16 HA ILE 16 -9.815 0.994 5.731 110 HB ILE 16 HB ILE 16 -9.915 2.375 3.172 111 HG12 ILE 16 2HG1 ILE 16 -7.915 0.523 4.474 112 HG13 ILE 16 1HG1 ILE 16 -9.249 0.052 3.429 113 HG21 ILE 16 1HG2 ILE 16 -7.531 3.007 4.896 114 HG22 ILE 16 2HG2 ILE 16 -8.764 4.165 4.390 115 HG23 ILE 16 3HG2 ILE 16 -7.734 3.393 3.187 116 HD11 ILE 16 3HD1 ILE 16 -7.958 1.744 1.792 117 HD12 ILE 16 1HD1 ILE 16 -7.638 0.011 1.867 118 HD13 ILE 16 2HD1 ILE 16 -6.605 1.138 2.748 119 H ALA 17 H ALA 17 -9.079 1.824 7.563 120 HA ALA 17 HA ALA 17 -9.139 4.728 7.937 121 HB1 ALA 17 1HB ALA 17 -11.207 3.552 8.895 122 HB2 ALA 17 2HB ALA 17 -10.325 4.669 9.944 123 HB3 ALA 17 3HB ALA 17 -10.107 2.928 10.130 124 H ILE 18 H ILE 18 -7.388 5.520 8.910 125 HA ILE 18 HA ILE 18 -5.271 3.690 9.641 126 HB ILE 18 HB ILE 18 -5.253 6.709 9.660 127 HG12 ILE 18 2HG1 ILE 18 -3.818 6.112 7.496 128 HG13 ILE 18 1HG1 ILE 18 -4.862 4.694 7.497 129 HG21 ILE 18 1HG2 ILE 18 -3.500 5.417 10.994 130 HG22 ILE 18 2HG2 ILE 18 -2.919 6.602 9.825 131 HG23 ILE 18 3HG2 ILE 18 -2.881 4.883 9.431 132 HD11 ILE 18 3HD1 ILE 18 -6.075 7.402 7.742 133 HD12 ILE 18 1HD1 ILE 18 -6.751 5.920 7.065 134 HD13 ILE 18 2HD1 ILE 18 -5.531 6.823 6.167 135 H ASN 19 H ASN 19 -4.768 3.083 11.629 136 HA ASN 19 HA ASN 19 -6.126 4.330 13.893 137 HB2 ASN 19 2HB ASN 19 -5.759 1.722 13.321 138 HB3 ASN 19 1HB ASN 19 -4.333 2.007 14.316 139 HD21 ASN 19 1HD2 ASN 19 -5.192 0.603 15.887 140 HD22 ASN 19 2HD2 ASN 19 -6.447 1.117 16.956 141 H GLU 20 H GLU 20 -4.993 6.218 14.228 142 HA GLU 20 HA GLU 20 -2.106 6.051 14.647 143 HB2 GLU 20 2HB GLU 20 -3.980 8.419 14.532 144 HB3 GLU 20 1HB GLU 20 -2.250 8.540 14.817 145 HG2 GLU 20 2HG GLU 20 -2.160 7.145 12.568 146 HG3 GLU 20 1HG GLU 20 -3.727 7.917 12.327 147 H ASP 21 H ASP 21 -4.134 4.917 16.517 148 HA ASP 21 HA ASP 21 -3.623 6.556 18.896 149 HB2 ASP 21 2HB ASP 21 -5.647 4.401 18.306 150 HB3 ASP 21 1HB ASP 21 -5.337 4.970 19.943 151 H VAL 22 H VAL 22 -2.417 3.891 17.273 152 HA VAL 22 HA VAL 22 -1.490 2.584 19.739 153 HB VAL 22 HB VAL 22 -0.850 0.696 18.356 154 HG11 VAL 22 1HG1 VAL 22 -3.322 1.243 19.062 155 HG12 VAL 22 2HG1 VAL 22 -2.958 -0.143 18.034 156 HG13 VAL 22 3HG1 VAL 22 -3.564 1.350 17.318 157 HG21 VAL 22 3HG2 VAL 22 -1.579 2.527 16.090 158 HG22 VAL 22 1HG2 VAL 22 -1.586 0.773 15.896 159 HG23 VAL 22 2HG2 VAL 22 -0.096 1.605 16.341 160 H SER 23 H SER 23 0.838 1.469 19.118 161 HA SER 23 HA SER 23 2.656 3.639 19.154 162 HB2 SER 23 2HB SER 23 2.810 0.740 19.424 163 HB3 SER 23 1HB SER 23 4.183 1.397 18.533 164 HG SER 23 HG SER 23 3.277 2.226 21.094 165 HA PRO 24 HA PRO 24 3.710 2.708 14.664 166 HB2 PRO 24 2HB PRO 24 3.310 0.359 13.524 167 HB3 PRO 24 1HB PRO 24 4.568 0.534 14.754 168 HG2 PRO 24 2HG PRO 24 1.848 -0.675 14.981 169 HG3 PRO 24 1HG PRO 24 3.368 -1.186 15.734 170 HD2 PRO 24 2HD PRO 24 1.355 0.365 16.942 171 HD3 PRO 24 1HD PRO 24 3.008 0.134 17.542 172 H ALA 25 H ALA 25 2.266 4.079 13.731 173 HA ALA 25 HA ALA 25 -0.470 3.863 13.603 174 HB1 ALA 25 1HB ALA 25 0.023 5.182 11.287 175 HB2 ALA 25 2HB ALA 25 1.563 5.382 12.125 176 HB3 ALA 25 3HB ALA 25 0.067 5.920 12.889 177 H GLU 26 H GLU 26 -1.668 2.272 12.851 178 HA GLU 26 HA GLU 26 -0.805 0.851 10.419 179 HB2 GLU 26 2HB GLU 26 -2.149 -1.026 11.201 180 HB3 GLU 26 1HB GLU 26 -0.972 -0.557 12.419 181 HG2 GLU 26 2HG GLU 26 -2.817 0.766 13.516 182 HG3 GLU 26 1HG GLU 26 -3.929 -0.038 12.410 183 H LEU 27 H LEU 27 -2.638 -0.022 9.101 184 HA LEU 27 HA LEU 27 -4.848 1.913 8.950 185 HB2 LEU 27 2HB LEU 27 -3.382 2.162 7.047 186 HB3 LEU 27 1HB LEU 27 -3.401 0.435 6.753 187 HG LEU 27 HG LEU 27 -6.059 1.677 6.688 188 HD11 LEU 27 1HD1 LEU 27 -3.921 2.494 4.735 189 HD12 LEU 27 2HD1 LEU 27 -4.958 3.536 5.710 190 HD13 LEU 27 3HD1 LEU 27 -5.646 2.597 4.385 191 HD21 LEU 27 3HD2 LEU 27 -5.803 0.406 4.368 192 HD22 LEU 27 1HD2 LEU 27 -6.136 -0.444 5.877 193 HD23 LEU 27 2HD2 LEU 27 -4.490 -0.385 5.242 194 H THR 28 H THR 28 -6.626 0.936 9.744 195 HA THR 28 HA THR 28 -6.929 -1.949 9.386 196 HB THR 28 HB THR 28 -8.640 -0.126 11.068 197 HG1 THR 28 1HG THR 28 -7.122 -0.107 12.500 198 HG21 THR 28 3HG2 THR 28 -8.988 -2.184 12.401 199 HG22 THR 28 1HG2 THR 28 -8.156 -3.091 11.139 200 HG23 THR 28 2HG2 THR 28 -9.668 -2.258 10.775 201 H TRP 29 H TRP 29 -8.003 -2.614 7.660 202 HA TRP 29 HA TRP 29 -10.064 -0.970 6.460 203 HB2 TRP 29 2HB TRP 29 -8.526 -2.004 4.915 204 HB3 TRP 29 1HB TRP 29 -8.802 -3.591 5.630 205 HD1 TRP 29 HD TRP 29 -10.799 -0.897 3.730 206 HE1 TRP 29 1HE TRP 29 -12.586 -2.075 2.282 207 HE3 TRP 29 3HE TRP 29 -9.972 -5.702 5.219 208 HZ2 TRP 29 2HZ TRP 29 -13.516 -4.713 1.852 209 HZ3 TRP 29 3HZ TRP 29 -11.354 -7.496 4.257 210 HH2 TRP 29 HH TRP 29 -13.086 -7.010 2.611 211 H ARG 30 H ARG 30 -12.026 -1.108 7.342 212 HA ARG 30 HA ARG 30 -12.961 -3.745 8.274 213 HB2 ARG 30 2HB ARG 30 -14.152 -1.080 9.039 214 HB3 ARG 30 1HB ARG 30 -14.408 -2.639 9.810 215 HG2 ARG 30 2HG ARG 30 -11.850 -2.527 10.272 216 HG3 ARG 30 1HG ARG 30 -12.069 -0.799 9.992 217 HD2 ARG 30 2HD ARG 30 -13.380 -2.521 12.082 218 HD3 ARG 30 1HD ARG 30 -12.296 -1.152 12.328 219 HE ARG 30 HE ARG 30 -14.511 -0.216 10.933 220 HH11 ARG 30 1HH1 ARG 30 -13.798 -1.594 14.058 221 HH12 ARG 30 2HH1 ARG 30 -15.094 -0.770 14.857 222 HH21 ARG 30 1HH2 ARG 30 -16.216 0.869 11.981 223 HH22 ARG 30 2HH2 ARG 30 -16.468 0.628 13.678 224 H SER 31 H SER 31 -14.297 -4.711 6.894 225 HA SER 31 HA SER 31 -15.364 -3.695 4.597 226 HB2 SER 31 2HB SER 31 -16.578 -5.834 6.357 227 HB3 SER 31 1HB SER 31 -17.007 -5.546 4.670 228 HG SER 31 HG SER 31 -15.171 -6.415 4.037 229 H THR 32 H THR 32 -17.758 -3.455 4.073 230 HA THR 32 HA THR 32 -18.782 -1.249 5.531 231 HB THR 32 HB THR 32 -20.760 -2.466 3.853 232 HG1 THR 32 1HG THR 32 -19.650 -2.665 1.971 233 HG21 THR 32 3HG2 THR 32 -20.613 -0.445 2.571 234 HG22 THR 32 1HG2 THR 32 -19.077 -0.034 3.333 235 HG23 THR 32 2HG2 THR 32 -20.558 -0.052 4.290 236 H ASP 33 H ASP 33 -19.547 -4.628 5.253 237 HA ASP 33 HA ASP 33 -21.681 -4.396 7.196 238 HB2 ASP 33 2HB ASP 33 -21.646 -5.873 5.005 239 HB3 ASP 33 1HB ASP 33 -20.856 -7.029 6.073 240 H GLY 34 H GLY 34 -18.491 -5.767 6.848 241 HA2 GLY 34 2HA GLY 34 -17.078 -5.832 8.832 242 HA3 GLY 34 1HA GLY 34 -18.496 -6.317 9.749 243 H ASP 35 H ASP 35 -18.238 -7.763 6.673 244 HA ASP 35 HA ASP 35 -17.845 -10.349 7.860 245 HB2 ASP 35 2HB ASP 35 -19.269 -9.570 5.734 246 HB3 ASP 35 1HB ASP 35 -17.778 -10.008 4.906 247 H LYS 36 H LYS 36 -15.820 -7.954 6.495 248 HA LYS 36 HA LYS 36 -13.567 -9.821 6.648 249 HB2 LYS 36 2HB LYS 36 -13.737 -7.875 4.364 250 HB3 LYS 36 1HB LYS 36 -12.672 -9.261 4.546 251 HG2 LYS 36 2HG LYS 36 -15.018 -10.532 4.566 252 HG3 LYS 36 1HG LYS 36 -15.467 -9.123 3.604 253 HD2 LYS 36 2HD LYS 36 -14.674 -10.347 1.887 254 HD3 LYS 36 1HD LYS 36 -13.103 -9.785 2.461 255 HE2 LYS 36 2HE LYS 36 -13.468 -11.945 4.045 256 HE3 LYS 36 1HE LYS 36 -14.329 -12.460 2.596 257 HZ1 LYS 36 3HZ LYS 36 -11.784 -12.888 2.858 258 HZ2 LYS 36 1HZ LYS 36 -11.653 -11.294 2.304 259 HZ3 LYS 36 2HZ LYS 36 -12.428 -12.458 1.353 260 H VAL 37 H VAL 37 -11.654 -8.954 7.312 261 HA VAL 37 HA VAL 37 -11.466 -6.066 7.677 262 HB VAL 37 HB VAL 37 -12.301 -7.623 9.780 263 HG11 VAL 37 1HG1 VAL 37 -10.085 -8.698 9.932 264 HG12 VAL 37 2HG1 VAL 37 -10.504 -7.788 11.383 265 HG13 VAL 37 3HG1 VAL 37 -9.362 -7.115 10.220 266 HG21 VAL 37 3HG2 VAL 37 -11.725 -5.652 11.172 267 HG22 VAL 37 1HG2 VAL 37 -12.554 -5.248 9.670 268 HG23 VAL 37 2HG2 VAL 37 -10.812 -5.007 9.809 269 H HIS 38 H HIS 38 -9.483 -5.344 7.185 270 HA HIS 38 HA HIS 38 -7.198 -7.171 7.428 271 HB2 HIS 38 2HB HIS 38 -8.308 -6.785 5.010 272 HB3 HIS 38 1HB HIS 38 -7.228 -5.396 5.049 273 HD1 HIS 38 1HD HIS 38 -7.149 -9.168 5.219 274 HD2 HIS 38 2HD HIS 38 -4.579 -5.964 4.587 275 HE1 HIS 38 1HE HIS 38 -4.972 -10.187 4.483 276 HE2 HIS 38 2HE HIS 38 -3.462 -8.225 4.015 277 H THR 39 H THR 39 -5.625 -6.252 8.562 278 HA THR 39 HA THR 39 -5.567 -3.322 8.757 279 HB THR 39 HB THR 39 -3.962 -5.009 10.604 280 HG1 THR 39 1HG THR 39 -5.693 -6.161 10.985 281 HG21 THR 39 3HG2 THR 39 -4.761 -2.344 10.536 282 HG22 THR 39 1HG2 THR 39 -3.952 -3.190 11.855 283 HG23 THR 39 2HG2 THR 39 -5.713 -3.089 11.820 284 H VAL 40 H VAL 40 -3.662 -2.169 8.518 285 HA VAL 40 HA VAL 40 -1.345 -3.635 7.450 286 HB VAL 40 HB VAL 40 -2.802 -1.343 6.219 287 HG11 VAL 40 1HG1 VAL 40 -0.658 -0.339 6.481 288 HG12 VAL 40 2HG1 VAL 40 -0.772 -0.885 4.808 289 HG13 VAL 40 3HG1 VAL 40 0.161 -1.818 5.979 290 HG21 VAL 40 3HG2 VAL 40 -3.266 -3.351 5.162 291 HG22 VAL 40 1HG2 VAL 40 -1.607 -3.931 5.347 292 HG23 VAL 40 2HG2 VAL 40 -1.978 -2.671 4.164 293 H VAL 41 H VAL 41 0.592 -2.953 8.164 294 HA VAL 41 HA VAL 41 0.510 -0.715 10.052 295 HB VAL 41 HB VAL 41 2.559 -2.922 9.809 296 HG11 VAL 41 1HG1 VAL 41 3.959 -1.459 10.785 297 HG12 VAL 41 2HG1 VAL 41 2.966 -1.669 12.228 298 HG13 VAL 41 3HG1 VAL 41 2.660 -0.318 11.135 299 HG21 VAL 41 3HG2 VAL 41 0.195 -2.401 11.536 300 HG22 VAL 41 1HG2 VAL 41 1.599 -3.194 12.257 301 HG23 VAL 41 2HG2 VAL 41 0.794 -3.923 10.867 302 H LEU 42 H LEU 42 0.908 1.122 9.069 303 HA LEU 42 HA LEU 42 2.316 1.550 6.732 304 HB2 LEU 42 2HB LEU 42 1.732 3.341 9.073 305 HB3 LEU 42 1HB LEU 42 2.597 3.924 7.666 306 HG LEU 42 HG LEU 42 0.287 4.541 7.459 307 HD11 LEU 42 1HD1 LEU 42 1.699 3.377 5.519 308 HD12 LEU 42 2HD1 LEU 42 0.056 3.975 5.282 309 HD13 LEU 42 3HD1 LEU 42 0.335 2.260 5.581 310 HD21 LEU 42 3HD2 LEU 42 -0.455 2.577 8.967 311 HD22 LEU 42 1HD2 LEU 42 -0.555 1.665 7.461 312 HD23 LEU 42 2HD2 LEU 42 -1.537 3.113 7.682 313 H SER 43 H SER 43 3.528 0.975 9.916 314 HA SER 43 HA SER 43 6.064 2.172 9.672 315 HB2 SER 43 2HB SER 43 4.877 1.208 11.773 316 HB3 SER 43 1HB SER 43 5.605 -0.321 11.282 317 HG SER 43 HG SER 43 6.995 0.735 12.690 318 H THR 44 H THR 44 4.779 -0.853 8.567 319 HA THR 44 HA THR 44 7.415 -1.807 7.756 320 HB THR 44 HB THR 44 6.501 -3.920 7.514 321 HG1 THR 44 1HG THR 44 3.924 -2.783 7.204 322 HG21 THR 44 3HG2 THR 44 4.499 -2.739 9.415 323 HG22 THR 44 1HG2 THR 44 6.150 -3.174 9.855 324 HG23 THR 44 2HG2 THR 44 5.023 -4.420 9.318 325 H ILE 45 H ILE 45 4.437 -0.598 6.463 326 HA ILE 45 HA ILE 45 4.526 -1.239 3.822 327 HB ILE 45 HB ILE 45 3.787 1.443 4.992 328 HG12 ILE 45 2HG1 ILE 45 2.407 -0.264 5.927 329 HG13 ILE 45 1HG1 ILE 45 1.454 0.511 4.667 330 HG21 ILE 45 1HG2 ILE 45 3.142 0.305 2.274 331 HG22 ILE 45 2HG2 ILE 45 4.224 1.658 2.605 332 HG23 ILE 45 3HG2 ILE 45 2.500 1.806 2.941 333 HD11 ILE 45 3HD1 ILE 45 2.553 -2.229 4.805 334 HD12 ILE 45 1HD1 ILE 45 2.492 -1.459 3.220 335 HD13 ILE 45 2HD1 ILE 45 1.016 -1.651 4.165 336 H ASP 46 H ASP 46 6.328 -1.327 2.643 337 HA ASP 46 HA ASP 46 8.522 0.422 2.886 338 HB2 ASP 46 2HB ASP 46 8.109 -1.977 1.664 339 HB3 ASP 46 1HB ASP 46 8.174 -0.897 0.273 340 H LYS 47 H LYS 47 5.639 0.514 0.876 341 HA LYS 47 HA LYS 47 5.966 3.271 0.337 342 HB2 LYS 47 2HB LYS 47 6.057 2.802 -2.255 343 HB3 LYS 47 1HB LYS 47 7.530 2.931 -1.307 344 HG2 LYS 47 2HG LYS 47 7.454 0.408 -1.100 345 HG3 LYS 47 1HG LYS 47 6.198 0.448 -2.339 346 HD2 LYS 47 2HD LYS 47 7.754 1.630 -3.842 347 HD3 LYS 47 1HD LYS 47 9.009 1.511 -2.608 348 HE2 LYS 47 2HE LYS 47 9.357 -0.699 -2.980 349 HE3 LYS 47 1HE LYS 47 7.668 -1.008 -3.380 350 HZ1 LYS 47 3HZ LYS 47 8.668 -1.252 -5.408 351 HZ2 LYS 47 1HZ LYS 47 9.848 -0.076 -5.112 352 HZ3 LYS 47 2HZ LYS 47 8.264 0.389 -5.478 353 H LEU 48 H LEU 48 4.257 4.146 -1.004 354 HA LEU 48 HA LEU 48 1.888 2.400 -1.015 355 HB2 LEU 48 2HB LEU 48 1.898 4.463 0.449 356 HB3 LEU 48 1HB LEU 48 1.931 5.415 -1.022 357 HG LEU 48 HG LEU 48 -0.223 3.517 -1.161 358 HD11 LEU 48 1HD1 LEU 48 0.205 4.755 1.448 359 HD12 LEU 48 2HD1 LEU 48 -0.833 3.408 0.985 360 HD13 LEU 48 3HD1 LEU 48 -1.390 5.066 0.763 361 HD21 LEU 48 3HD2 LEU 48 0.263 5.894 -2.210 362 HD22 LEU 48 1HD2 LEU 48 -0.657 6.434 -0.804 363 HD23 LEU 48 2HD2 LEU 48 -1.384 5.313 -1.956 364 H GLN 49 H GLN 49 0.404 2.597 -2.789 365 HA GLN 49 HA GLN 49 1.550 3.810 -5.210 366 HB2 GLN 49 2HB GLN 49 0.800 0.984 -4.725 367 HB3 GLN 49 1HB GLN 49 0.350 1.659 -6.286 368 HG2 GLN 49 2HG GLN 49 2.418 1.436 -7.034 369 HG3 GLN 49 1HG GLN 49 3.056 2.361 -5.677 370 HE21 GLN 49 1HE2 GLN 49 1.496 -0.812 -5.989 371 HE22 GLN 49 2HE2 GLN 49 2.749 -1.698 -5.177 372 H ALA 50 H ALA 50 0.140 4.849 -6.509 373 HA ALA 50 HA ALA 50 -2.727 4.428 -6.166 374 HB1 ALA 50 1HB ALA 50 -1.780 7.253 -6.160 375 HB2 ALA 50 2HB ALA 50 -1.747 6.332 -4.657 376 HB3 ALA 50 3HB ALA 50 -3.269 6.562 -5.516 377 H THR 51 H THR 51 -3.843 4.620 -8.018 378 HA THR 51 HA THR 51 -2.720 4.524 -10.502 379 HB THR 51 HB THR 51 -4.968 5.485 -11.321 380 HG1 THR 51 1HG THR 51 -5.617 5.192 -8.582 381 HG21 THR 51 3HG2 THR 51 -4.570 3.083 -11.166 382 HG22 THR 51 1HG2 THR 51 -6.223 3.506 -10.721 383 HG23 THR 51 2HG2 THR 51 -5.044 3.117 -9.468 384 HA PRO 52 HA PRO 52 -0.782 8.638 -10.647 385 HB2 PRO 52 2HB PRO 52 0.112 8.082 -13.236 386 HB3 PRO 52 1HB PRO 52 1.020 7.803 -11.746 387 HG2 PRO 52 2HG PRO 52 -0.683 5.900 -13.307 388 HG3 PRO 52 1HG PRO 52 0.900 5.622 -12.559 389 HD2 PRO 52 2HD PRO 52 -1.259 4.712 -11.388 390 HD3 PRO 52 1HD PRO 52 -0.030 5.540 -10.402 391 H ALA 53 H ALA 53 -1.013 10.450 -12.136 392 HA ALA 53 HA ALA 53 -3.643 10.944 -12.904 393 HB1 ALA 53 1HB ALA 53 -1.572 12.531 -12.534 394 HB2 ALA 53 2HB ALA 53 -2.927 13.014 -13.555 395 HB3 ALA 53 3HB ALA 53 -1.446 12.395 -14.288 396 H SER 54 H SER 54 -1.201 9.168 -14.543 397 HA SER 54 HA SER 54 -2.294 9.551 -17.183 398 HB2 SER 54 2HB SER 54 -0.678 7.484 -17.576 399 HB3 SER 54 1HB SER 54 -0.041 9.115 -17.367 400 HG SER 54 HG SER 54 0.563 8.632 -15.329 401 H SER 55 H SER 55 -2.853 7.454 -14.525 402 HA SER 55 HA SER 55 -4.105 5.386 -16.128 403 HB2 SER 55 2HB SER 55 -2.826 4.819 -14.070 404 HB3 SER 55 1HB SER 55 -4.027 5.689 -13.117 405 HG SER 55 HG SER 55 -5.391 4.088 -13.357 406 H GLU 56 H GLU 56 -6.256 5.086 -16.413 407 HA GLU 56 HA GLU 56 -7.996 7.283 -15.648 408 HB2 GLU 56 2HB GLU 56 -8.814 4.888 -17.272 409 HB3 GLU 56 1HB GLU 56 -9.514 6.500 -17.274 410 HG2 GLU 56 2HG GLU 56 -7.483 7.375 -18.320 411 HG3 GLU 56 1HG GLU 56 -6.801 5.750 -18.336 412 H LYS 57 H LYS 57 -7.290 4.089 -14.631 413 HA LYS 57 HA LYS 57 -9.839 3.626 -13.374 414 HB2 LYS 57 2HB LYS 57 -7.229 2.148 -13.479 415 HB3 LYS 57 1HB LYS 57 -8.493 1.666 -12.357 416 HG2 LYS 57 2HG LYS 57 -8.355 0.471 -14.602 417 HG3 LYS 57 1HG LYS 57 -9.936 1.028 -14.062 418 HD2 LYS 57 2HD LYS 57 -9.693 1.547 -16.392 419 HD3 LYS 57 1HD LYS 57 -9.625 3.055 -15.479 420 HE2 LYS 57 2HE LYS 57 -7.690 3.508 -16.463 421 HE3 LYS 57 1HE LYS 57 -6.985 2.121 -15.637 422 HZ1 LYS 57 3HZ LYS 57 -6.868 2.255 -18.192 423 HZ2 LYS 57 1HZ LYS 57 -8.480 1.743 -18.148 424 HZ3 LYS 57 2HZ LYS 57 -7.266 0.777 -17.474 425 H MET 58 H MET 58 -9.863 3.033 -11.000 426 HA MET 58 HA MET 58 -8.116 4.852 -9.474 427 HB2 MET 58 2HB MET 58 -10.991 4.198 -8.814 428 HB3 MET 58 1HB MET 58 -9.956 5.362 -7.997 429 HG2 MET 58 2HG MET 58 -9.868 6.282 -10.546 430 HG3 MET 58 1HG MET 58 -11.498 5.613 -10.475 431 HE1 MET 58 3HE MET 58 -9.670 8.258 -7.408 432 HE2 MET 58 1HE MET 58 -9.559 9.151 -8.924 433 HE3 MET 58 2HE MET 58 -8.874 7.531 -8.803 434 H MET 59 H MET 59 -6.707 3.550 -8.483 435 HA MET 59 HA MET 59 -7.652 1.698 -6.510 436 HB2 MET 59 2HB MET 59 -5.761 0.137 -7.952 437 HB3 MET 59 1HB MET 59 -7.447 -0.227 -7.616 438 HG2 MET 59 2HG MET 59 -8.159 0.723 -9.657 439 HG3 MET 59 1HG MET 59 -6.589 1.473 -9.937 440 HE1 MET 59 3HE MET 59 -4.318 -1.619 -10.593 441 HE2 MET 59 1HE MET 59 -4.497 -0.313 -9.421 442 HE3 MET 59 2HE MET 59 -4.469 0.050 -11.146 443 H LEU 60 H LEU 60 -6.198 1.402 -4.889 444 HA LEU 60 HA LEU 60 -3.527 2.590 -5.286 445 HB2 LEU 60 2HB LEU 60 -5.423 2.789 -2.965 446 HB3 LEU 60 1HB LEU 60 -3.701 3.044 -2.750 447 HG LEU 60 HG LEU 60 -3.995 4.782 -4.684 448 HD11 LEU 60 1HD1 LEU 60 -6.668 5.292 -3.585 449 HD12 LEU 60 2HD1 LEU 60 -6.553 3.894 -4.653 450 HD13 LEU 60 3HD1 LEU 60 -6.056 5.486 -5.227 451 HD21 LEU 60 3HD2 LEU 60 -5.246 5.775 -2.203 452 HD22 LEU 60 1HD2 LEU 60 -3.846 6.376 -3.091 453 HD23 LEU 60 2HD2 LEU 60 -3.681 4.979 -2.027 454 H ARG 61 H ARG 61 -1.778 1.486 -4.524 455 HA ARG 61 HA ARG 61 -2.315 -1.147 -3.318 456 HB2 ARG 61 2HB ARG 61 -0.439 -0.256 -5.438 457 HB3 ARG 61 1HB ARG 61 0.151 -1.482 -4.323 458 HG2 ARG 61 2HG ARG 61 -2.527 -1.995 -5.387 459 HG3 ARG 61 1HG ARG 61 -1.243 -1.979 -6.596 460 HD2 ARG 61 2HD ARG 61 -0.087 -3.447 -4.631 461 HD3 ARG 61 1HD ARG 61 -1.781 -3.890 -4.426 462 HE ARG 61 HE ARG 61 -1.688 -5.040 -6.404 463 HH11 ARG 61 1HH1 ARG 61 1.111 -2.971 -6.161 464 HH12 ARG 61 2HH1 ARG 61 1.890 -3.651 -7.550 465 HH21 ARG 61 1HH2 ARG 61 -0.665 -5.937 -8.231 466 HH22 ARG 61 2HH2 ARG 61 0.882 -5.334 -8.726 467 H LEU 62 H LEU 62 -0.810 -1.948 -1.770 468 HA LEU 62 HA LEU 62 0.785 0.142 -0.438 469 HB2 LEU 62 2HB LEU 62 -1.519 -0.939 0.546 470 HB3 LEU 62 1HB LEU 62 -0.321 -2.000 1.251 471 HG LEU 62 HG LEU 62 0.302 -0.473 2.773 472 HD11 LEU 62 1HD1 LEU 62 1.547 0.890 1.238 473 HD12 LEU 62 2HD1 LEU 62 0.613 1.931 2.312 474 HD13 LEU 62 3HD1 LEU 62 0.068 1.654 0.657 475 HD21 LEU 62 3HD2 LEU 62 -2.162 0.928 1.771 476 HD22 LEU 62 1HD2 LEU 62 -1.410 1.169 3.348 477 HD23 LEU 62 2HD2 LEU 62 -2.119 -0.394 2.938 478 H ILE 63 H ILE 63 2.873 -0.387 -0.629 479 HA ILE 63 HA ILE 63 3.676 -3.169 -0.868 480 HB ILE 63 HB ILE 63 5.362 -0.661 -0.918 481 HG12 ILE 63 2HG1 ILE 63 3.798 -0.759 -2.794 482 HG13 ILE 63 1HG1 ILE 63 5.442 -1.051 -3.355 483 HG21 ILE 63 1HG2 ILE 63 6.910 -2.387 -2.152 484 HG22 ILE 63 2HG2 ILE 63 6.000 -3.558 -1.198 485 HG23 ILE 63 3HG2 ILE 63 6.904 -2.276 -0.392 486 HD11 ILE 63 3HD1 ILE 63 4.481 -3.574 -2.791 487 HD12 ILE 63 1HD1 ILE 63 4.629 -2.834 -4.385 488 HD13 ILE 63 2HD1 ILE 63 3.102 -2.738 -3.508 489 H GLY 64 H GLY 64 4.676 -4.353 0.666 490 HA2 GLY 64 2HA GLY 64 4.987 -3.093 3.309 491 HA3 GLY 64 1HA GLY 64 4.761 -4.811 3.021 492 H LYS 65 H LYS 65 6.713 -4.224 4.709 493 HA LYS 65 HA LYS 65 9.234 -3.895 3.325 494 HB2 LYS 65 2HB LYS 65 8.361 -3.388 5.904 495 HB3 LYS 65 1HB LYS 65 9.392 -4.799 6.096 496 HG2 LYS 65 2HG LYS 65 10.611 -2.697 6.407 497 HG3 LYS 65 1HG LYS 65 11.237 -3.641 5.055 498 HD2 LYS 65 2HD LYS 65 10.665 -2.078 3.540 499 HD3 LYS 65 1HD LYS 65 9.129 -1.730 4.336 500 HE2 LYS 65 2HE LYS 65 10.912 -0.733 6.135 501 HE3 LYS 65 1HE LYS 65 11.740 -0.421 4.610 502 HZ1 LYS 65 3HZ LYS 65 8.904 0.288 4.842 503 HZ2 LYS 65 1HZ LYS 65 10.123 1.012 3.918 504 HZ3 LYS 65 2HZ LYS 65 10.048 1.288 5.585 505 H VAL 66 H VAL 66 10.720 -5.449 2.879 506 HA VAL 66 HA VAL 66 9.873 -8.204 3.288 507 HB VAL 66 HB VAL 66 11.058 -6.815 1.088 508 HG11 VAL 66 1HG1 VAL 66 12.642 -8.514 0.333 509 HG12 VAL 66 2HG1 VAL 66 12.431 -9.386 1.851 510 HG13 VAL 66 3HG1 VAL 66 13.163 -7.781 1.850 511 HG21 VAL 66 3HG2 VAL 66 9.689 -8.140 -0.064 512 HG22 VAL 66 1HG2 VAL 66 9.118 -8.723 1.498 513 HG23 VAL 66 2HG2 VAL 66 10.382 -9.602 0.639 514 H ASP 67 H ASP 67 11.879 -6.009 4.429 515 HA ASP 67 HA ASP 67 13.617 -5.985 5.915 516 HB2 ASP 67 2HB ASP 67 12.466 -8.706 6.242 517 HB3 ASP 67 1HB ASP 67 14.069 -8.432 6.916 518 H GLU 68 H GLU 68 15.762 -5.923 5.598 519 HA GLU 68 HA GLU 68 16.855 -7.547 3.422 520 HB2 GLU 68 2HB GLU 68 17.695 -4.976 4.725 521 HB3 GLU 68 1HB GLU 68 18.837 -5.904 3.763 522 HG2 GLU 68 2HG GLU 68 16.262 -5.458 2.455 523 HG3 GLU 68 1HG GLU 68 17.162 -3.984 2.807 524 H SER 69 H SER 69 16.373 -8.611 6.124 525 HA SER 69 HA SER 69 19.140 -9.188 6.940 526 HB2 SER 69 2HB SER 69 16.592 -8.920 8.455 527 HB3 SER 69 1HB SER 69 17.759 -10.107 9.035 528 HG SER 69 HG SER 69 18.460 -7.426 8.458 529 H LYS 70 H LYS 70 16.288 -10.534 5.608 530 HA LYS 70 HA LYS 70 17.090 -13.270 6.236 531 HB2 LYS 70 2HB LYS 70 14.621 -11.997 5.138 532 HB3 LYS 70 1HB LYS 70 14.927 -13.692 4.785 533 HG2 LYS 70 2HG LYS 70 14.683 -12.447 7.515 534 HG3 LYS 70 1HG LYS 70 13.500 -13.487 6.719 535 HD2 LYS 70 2HD LYS 70 15.378 -15.226 6.616 536 HD3 LYS 70 1HD LYS 70 16.213 -14.206 7.788 537 HE2 LYS 70 2HE LYS 70 13.815 -14.366 8.973 538 HE3 LYS 70 1HE LYS 70 13.811 -15.903 8.109 539 HZ1 LYS 70 3HZ LYS 70 16.214 -16.023 9.162 540 HZ2 LYS 70 1HZ LYS 70 14.843 -16.544 10.005 541 HZ3 LYS 70 2HZ LYS 70 15.500 -15.018 10.320 542 H LYS 71 H LYS 71 15.742 -11.951 3.228 543 HA LYS 71 HA LYS 71 16.351 -12.188 1.050 544 HB2 LYS 71 2HB LYS 71 19.111 -12.480 2.250 545 HB3 LYS 71 1HB LYS 71 18.780 -12.264 0.536 546 HG2 LYS 71 2HG LYS 71 17.433 -10.166 1.694 547 HG3 LYS 71 1HG LYS 71 18.889 -10.305 2.680 548 HD2 LYS 71 2HD LYS 71 18.838 -10.112 -0.331 549 HD3 LYS 71 1HD LYS 71 19.181 -8.774 0.768 550 HE2 LYS 71 2HE LYS 71 21.226 -9.641 1.397 551 HE3 LYS 71 1HE LYS 71 20.775 -11.291 0.966 552 HZ1 LYS 71 3HZ LYS 71 20.664 -10.119 -1.414 553 HZ2 LYS 71 1HZ LYS 71 22.065 -10.849 -0.806 554 HZ3 LYS 71 2HZ LYS 71 21.868 -9.174 -0.694 555 H ARG 72 H ARG 72 16.808 -13.774 -0.546 556 HA ARG 72 HA ARG 72 17.913 -16.302 -0.003 557 HB2 ARG 72 2HB ARG 72 15.838 -17.666 -0.074 558 HB3 ARG 72 1HB ARG 72 15.973 -16.686 1.379 559 HG2 ARG 72 2HG ARG 72 13.876 -16.077 0.945 560 HG3 ARG 72 1HG ARG 72 14.581 -15.034 -0.292 561 HD2 ARG 72 2HD ARG 72 13.721 -16.256 -1.954 562 HD3 ARG 72 1HD ARG 72 14.213 -17.773 -1.203 563 HE ARG 72 HE ARG 72 12.115 -17.978 -0.291 564 HH11 ARG 72 1HH1 ARG 72 12.506 -14.753 -1.572 565 HH12 ARG 72 2HH1 ARG 72 10.833 -14.345 -1.391 566 HH21 ARG 72 1HH2 ARG 72 9.916 -17.440 -0.052 567 HH22 ARG 72 2HH2 ARG 72 9.363 -15.869 -0.528 568 H LYS 73 H LYS 73 17.328 -17.915 -1.781 569 HA LYS 73 HA LYS 73 17.434 -16.495 -4.301 570 HB2 LYS 73 2HB LYS 73 17.472 -19.484 -3.927 571 HB3 LYS 73 1HB LYS 73 18.120 -18.550 -5.269 572 HG2 LYS 73 2HG LYS 73 19.482 -17.565 -3.079 573 HG3 LYS 73 1HG LYS 73 19.353 -19.295 -2.752 574 HD2 LYS 73 2HD LYS 73 20.148 -18.462 -5.490 575 HD3 LYS 73 1HD LYS 73 21.334 -18.269 -4.198 576 HE2 LYS 73 2HE LYS 73 19.860 -20.852 -4.532 577 HE3 LYS 73 1HE LYS 73 21.258 -20.488 -5.543 578 HZ1 LYS 73 3HZ LYS 73 22.428 -20.006 -3.344 579 HZ2 LYS 73 1HZ LYS 73 22.136 -21.626 -3.735 580 HZ3 LYS 73 2HZ LYS 73 21.148 -20.835 -2.612 581 H ASP 74 H ASP 74 16.275 -18.032 -6.133 582 HA ASP 74 HA ASP 74 13.434 -17.780 -5.485 583 HB2 ASP 74 2HB ASP 74 14.551 -16.703 -7.547 584 HB3 ASP 74 1HB ASP 74 14.550 -18.328 -8.224 585 H ASN 75 H ASN 75 15.212 -20.072 -4.693 586 HA ASN 75 HA ASN 75 14.922 -22.298 -4.338 587 HB2 ASN 75 2HB ASN 75 12.436 -22.087 -6.033 588 HB3 ASN 75 1HB ASN 75 12.834 -23.362 -4.888 589 HD21 ASN 75 1HD2 ASN 75 12.688 -22.951 -2.679 590 HD22 ASN 75 2HD2 ASN 75 11.805 -21.604 -2.057 591 H GLU 76 H GLU 76 15.590 -20.927 -7.246 592 HA GLU 76 HA GLU 76 15.928 -23.512 -8.597 593 HB2 GLU 76 2HB GLU 76 16.276 -20.961 -10.079 594 HB3 GLU 76 1HB GLU 76 15.615 -22.493 -10.631 595 HG2 GLU 76 2HG GLU 76 13.564 -22.037 -9.346 596 HG3 GLU 76 1HG GLU 76 14.234 -20.474 -8.880 597 H GLY 77 H GLY 77 17.503 -20.595 -7.565 598 HA2 GLY 77 2HA GLY 77 19.888 -21.186 -6.822 599 HA3 GLY 77 1HA GLY 77 20.093 -21.637 -8.507 600 H ASN 78 H ASN 78 18.305 -18.870 -7.216 601 HA ASN 78 HA ASN 78 20.377 -17.067 -8.232 602 HB2 ASN 78 2HB ASN 78 18.228 -17.576 -9.786 603 HB3 ASN 78 1HB ASN 78 17.585 -16.258 -8.811 604 HD21 ASN 78 1HD2 ASN 78 18.934 -16.870 -11.650 605 HD22 ASN 78 2HD2 ASN 78 19.803 -15.392 -11.925 606 H GLU 79 H GLU 79 20.950 -16.212 -6.307 607 HA GLU 79 HA GLU 79 19.254 -15.700 -4.142 608 HB2 GLU 79 2HB GLU 79 21.842 -15.758 -4.265 609 HB3 GLU 79 1HB GLU 79 21.708 -14.057 -4.687 610 HG2 GLU 79 2HG GLU 79 20.332 -15.095 -2.253 611 HG3 GLU 79 1HG GLU 79 22.063 -14.764 -2.217 612 H VAL 80 H VAL 80 17.509 -14.440 -4.252 613 HA VAL 80 HA VAL 80 17.829 -11.742 -5.390 614 HB VAL 80 HB VAL 80 15.571 -11.784 -6.247 615 HG11 VAL 80 1HG1 VAL 80 15.879 -13.941 -7.775 616 HG12 VAL 80 2HG1 VAL 80 17.500 -13.868 -7.084 617 HG13 VAL 80 3HG1 VAL 80 16.859 -12.489 -7.977 618 HG21 VAL 80 3HG2 VAL 80 14.550 -14.258 -6.245 619 HG22 VAL 80 1HG2 VAL 80 14.187 -13.072 -4.992 620 HG23 VAL 80 2HG2 VAL 80 15.414 -14.307 -4.708 621 H VAL 81 H VAL 81 15.600 -10.510 -4.714 622 HA VAL 81 HA VAL 81 15.569 -10.673 -1.780 623 HB VAL 81 HB VAL 81 14.715 -8.360 -3.527 624 HG11 VAL 81 1HG1 VAL 81 13.578 -8.266 -1.436 625 HG12 VAL 81 2HG1 VAL 81 14.898 -7.098 -1.367 626 HG13 VAL 81 3HG1 VAL 81 15.052 -8.653 -0.549 627 HG21 VAL 81 3HG2 VAL 81 16.798 -7.497 -3.452 628 HG22 VAL 81 1HG2 VAL 81 17.265 -9.186 -3.251 629 HG23 VAL 81 2HG2 VAL 81 17.121 -8.137 -1.841 630 HA PRO 82 HA PRO 82 11.526 -12.621 -2.132 631 HB2 PRO 82 2HB PRO 82 11.372 -11.358 0.576 632 HB3 PRO 82 1HB PRO 82 10.906 -12.986 0.068 633 HG2 PRO 82 2HG PRO 82 13.193 -12.570 1.368 634 HG3 PRO 82 1HG PRO 82 13.092 -13.752 0.052 635 HD2 PRO 82 2HD PRO 82 14.365 -11.071 0.092 636 HD3 PRO 82 1HD PRO 82 14.783 -12.507 -0.861 637 H LYS 83 H LYS 83 9.495 -11.917 -2.610 638 HA LYS 83 HA LYS 83 9.130 -9.201 -3.299 639 HB2 LYS 83 2HB LYS 83 7.405 -11.634 -3.269 640 HB3 LYS 83 1HB LYS 83 6.625 -10.066 -3.419 641 HG2 LYS 83 2HG LYS 83 6.923 -10.477 -5.615 642 HG3 LYS 83 1HG LYS 83 8.510 -9.777 -5.288 643 HD2 LYS 83 2HD LYS 83 9.540 -11.891 -5.194 644 HD3 LYS 83 1HD LYS 83 7.992 -12.727 -5.051 645 HE2 LYS 83 2HE LYS 83 7.649 -11.462 -7.410 646 HE3 LYS 83 1HE LYS 83 9.393 -11.718 -7.439 647 HZ1 LYS 83 3HZ LYS 83 9.079 -14.049 -7.181 648 HZ2 LYS 83 1HZ LYS 83 8.073 -13.543 -8.444 649 HZ3 LYS 83 2HZ LYS 83 7.418 -13.871 -6.919 650 HA PRO 84 HA PRO 84 7.777 -7.615 0.626 651 HB2 PRO 84 2HB PRO 84 6.795 -5.249 -0.174 652 HB3 PRO 84 1HB PRO 84 8.530 -5.591 -0.170 653 HG2 PRO 84 2HG PRO 84 6.590 -5.685 -2.443 654 HG3 PRO 84 1HG PRO 84 8.213 -4.977 -2.392 655 HD2 PRO 84 2HD PRO 84 7.713 -7.417 -3.464 656 HD3 PRO 84 1HD PRO 84 9.249 -7.017 -2.668 657 H GLN 85 H GLN 85 6.004 -8.112 1.759 658 HA GLN 85 HA GLN 85 3.609 -8.991 0.619 659 HB2 GLN 85 2HB GLN 85 3.918 -7.856 3.400 660 HB3 GLN 85 1HB GLN 85 2.705 -9.002 2.850 661 HG2 GLN 85 2HG GLN 85 5.450 -9.904 2.434 662 HG3 GLN 85 1HG GLN 85 5.029 -9.639 4.126 663 HE21 GLN 85 1HE2 GLN 85 5.527 -12.091 2.468 664 HE22 GLN 85 2HE2 GLN 85 4.149 -13.102 2.768 665 H ARG 86 H ARG 86 2.177 -7.836 -0.488 666 HA ARG 86 HA ARG 86 1.562 -5.117 0.450 667 HB2 ARG 86 2HB ARG 86 1.260 -4.449 -1.925 668 HB3 ARG 86 1HB ARG 86 2.917 -4.880 -1.526 669 HG2 ARG 86 2HG ARG 86 2.101 -7.251 -2.396 670 HG3 ARG 86 1HG ARG 86 0.973 -6.237 -3.297 671 HD2 ARG 86 2HD ARG 86 2.667 -5.174 -4.471 672 HD3 ARG 86 1HD ARG 86 3.891 -5.584 -3.269 673 HE ARG 86 HE ARG 86 4.275 -7.521 -4.406 674 HH11 ARG 86 1HH1 ARG 86 1.121 -6.330 -5.309 675 HH12 ARG 86 2HH1 ARG 86 0.872 -7.543 -6.519 676 HH21 ARG 86 1HH2 ARG 86 3.949 -9.117 -5.997 677 HH22 ARG 86 2HH2 ARG 86 2.476 -9.126 -6.910 678 H HIS 87 H HIS 87 -0.542 -4.306 -0.224 679 HA HIS 87 HA HIS 87 -2.511 -6.449 -0.672 680 HB2 HIS 87 2HB HIS 87 -3.162 -4.031 0.985 681 HB3 HIS 87 1HB HIS 87 -3.950 -5.605 0.967 682 HD1 HIS 87 1HD HIS 87 -2.738 -7.541 2.274 683 HD2 HIS 87 2HD HIS 87 -1.068 -3.767 2.768 684 HE1 HIS 87 1HE HIS 87 -1.211 -7.738 4.261 685 HE2 HIS 87 2HE HIS 87 -0.146 -5.466 4.488 686 H MET 88 H MET 88 -3.862 -6.105 -2.326 687 HA MET 88 HA MET 88 -3.648 -3.607 -3.785 688 HB2 MET 88 2HB MET 88 -3.556 -5.737 -5.000 689 HB3 MET 88 1HB MET 88 -5.171 -6.136 -4.431 690 HG2 MET 88 2HG MET 88 -6.122 -4.985 -6.066 691 HG3 MET 88 1HG MET 88 -5.139 -3.563 -5.729 692 HE1 MET 88 3HE MET 88 -4.721 -2.752 -8.264 693 HE2 MET 88 1HE MET 88 -3.099 -3.249 -8.747 694 HE3 MET 88 2HE MET 88 -3.396 -2.694 -7.099 695 H PHE 89 H PHE 89 -4.876 -1.962 -3.161 696 HA PHE 89 HA PHE 89 -7.649 -2.509 -2.333 697 HB2 PHE 89 2HB PHE 89 -5.866 -0.156 -1.659 698 HB3 PHE 89 1HB PHE 89 -7.550 -0.315 -1.173 699 HD1 PHE 89 1HD PHE 89 -7.999 -2.762 -0.043 700 HD2 PHE 89 2HD PHE 89 -4.340 -0.589 -0.019 701 HE1 PHE 89 1HE PHE 89 -7.301 -3.967 1.986 702 HE2 PHE 89 2HE PHE 89 -3.635 -1.789 2.009 703 HZ PHE 89 HZ PHE 89 -5.116 -3.481 3.015 704 H SER 90 H SER 90 -9.264 -1.702 -3.542 705 HA SER 90 HA SER 90 -8.520 0.091 -5.752 706 HB2 SER 90 2HB SER 90 -9.392 -1.803 -6.776 707 HB3 SER 90 1HB SER 90 -10.571 -2.078 -5.493 708 HG SER 90 HG SER 90 -11.127 -1.033 -7.728 709 H PHE 91 H PHE 91 -9.406 2.051 -5.915 710 HA PHE 91 HA PHE 91 -11.372 2.825 -3.882 711 HB2 PHE 91 2HB PHE 91 -9.355 4.382 -5.487 712 HB3 PHE 91 1HB PHE 91 -10.668 5.183 -4.631 713 HD1 PHE 91 2HD PHE 91 -8.333 2.393 -3.785 714 HD2 PHE 91 1HD PHE 91 -9.926 6.191 -2.721 715 HE1 PHE 91 2HE PHE 91 -6.998 2.364 -1.719 716 HE2 PHE 91 1HE PHE 91 -8.597 6.175 -0.655 717 HZ PHE 91 HZ PHE 91 -7.131 4.262 -0.145 718 H ASN 92 H ASN 92 -13.229 4.003 -4.426 719 HA ASN 92 HA ASN 92 -14.038 3.725 -7.239 720 HB2 ASN 92 2HB ASN 92 -15.536 3.508 -4.661 721 HB3 ASN 92 1HB ASN 92 -16.398 4.025 -6.107 722 HD21 ASN 92 1HD2 ASN 92 -17.294 2.473 -7.238 723 HD22 ASN 92 2HD2 ASN 92 -16.800 0.818 -7.275 724 H ASN 93 H ASN 93 -13.493 5.966 -4.697 725 HA ASN 93 HA ASN 93 -14.712 8.113 -6.301 726 HB2 ASN 93 2HB ASN 93 -15.251 7.494 -3.684 727 HB3 ASN 93 1HB ASN 93 -14.031 8.753 -3.514 728 HD21 ASN 93 1HD2 ASN 93 -14.636 10.799 -3.703 729 HD22 ASN 93 2HD2 ASN 93 -16.187 11.339 -4.267 730 H ARG 94 H ARG 94 -13.586 10.128 -6.427 731 HA ARG 94 HA ARG 94 -10.733 9.773 -6.657 732 HB2 ARG 94 2HB ARG 94 -10.741 12.014 -7.633 733 HB3 ARG 94 1HB ARG 94 -11.976 11.006 -8.374 734 HG2 ARG 94 2HG ARG 94 -13.657 12.069 -6.891 735 HG3 ARG 94 1HG ARG 94 -12.393 13.153 -6.306 736 HD2 ARG 94 2HD ARG 94 -12.229 14.265 -8.323 737 HD3 ARG 94 1HD ARG 94 -12.889 12.912 -9.240 738 HE ARG 94 HE ARG 94 -14.963 13.799 -8.937 739 HH11 ARG 94 1HH1 ARG 94 -12.856 15.091 -6.474 740 HH12 ARG 94 2HH1 ARG 94 -14.052 16.171 -5.840 741 HH21 ARG 94 1HH2 ARG 94 -16.538 15.219 -8.106 742 HH22 ARG 94 2HH2 ARG 94 -16.143 16.243 -6.766 743 H THR 95 H THR 95 -12.946 11.704 -4.668 744 HA THR 95 HA THR 95 -11.055 13.217 -3.308 745 HB THR 95 HB THR 95 -13.444 12.369 -1.856 746 HG1 THR 95 1HG THR 95 -14.863 13.316 -3.266 747 HG21 THR 95 3HG2 THR 95 -12.575 15.083 -2.755 748 HG22 THR 95 1HG2 THR 95 -12.099 14.342 -1.228 749 HG23 THR 95 2HG2 THR 95 -13.796 14.705 -1.541 750 H VAL 96 H VAL 96 -12.634 10.169 -2.370 751 HA VAL 96 HA VAL 96 -11.321 9.823 0.070 752 HB VAL 96 HB VAL 96 -13.280 8.498 -0.586 753 HG11 VAL 96 1HG1 VAL 96 -11.797 6.527 -2.151 754 HG12 VAL 96 2HG1 VAL 96 -11.968 8.089 -2.951 755 HG13 VAL 96 3HG1 VAL 96 -13.400 7.213 -2.413 756 HG21 VAL 96 3HG2 VAL 96 -11.314 6.348 -0.198 757 HG22 VAL 96 1HG2 VAL 96 -12.714 6.797 0.774 758 HG23 VAL 96 2HG2 VAL 96 -11.200 7.684 0.946 759 H MET 97 H MET 97 -10.285 9.175 -3.199 760 HA MET 97 HA MET 97 -8.071 7.522 -2.517 761 HB2 MET 97 2HB MET 97 -8.893 7.322 -4.732 762 HB3 MET 97 1HB MET 97 -8.823 9.059 -4.994 763 HG2 MET 97 2HG MET 97 -6.445 9.023 -5.096 764 HG3 MET 97 1HG MET 97 -6.392 7.339 -4.579 765 HE1 MET 97 3HE MET 97 -5.741 9.249 -7.924 766 HE2 MET 97 1HE MET 97 -7.143 9.908 -7.082 767 HE3 MET 97 2HE MET 97 -7.346 9.099 -8.636 768 H ASP 98 H ASP 98 -8.543 10.939 -2.998 769 HA ASP 98 HA ASP 98 -5.802 11.675 -2.939 770 HB2 ASP 98 2HB ASP 98 -8.405 13.105 -2.785 771 HB3 ASP 98 1HB ASP 98 -6.986 13.950 -2.172 772 H ASN 99 H ASN 99 -8.202 11.070 -0.488 773 HA ASN 99 HA ASN 99 -6.779 12.333 1.647 774 HB2 ASN 99 2HB ASN 99 -9.127 10.464 1.497 775 HB3 ASN 99 1HB ASN 99 -8.391 10.856 3.048 776 HD21 ASN 99 1HD2 ASN 99 -10.907 11.582 1.239 777 HD22 ASN 99 2HD2 ASN 99 -11.127 13.260 1.626 778 H ILE 100 H ILE 100 -7.347 8.916 0.803 779 HA ILE 100 HA ILE 100 -5.675 7.820 2.767 780 HB ILE 100 HB ILE 100 -6.344 6.664 0.056 781 HG12 ILE 100 2HG1 ILE 100 -8.325 7.291 1.426 782 HG13 ILE 100 1HG1 ILE 100 -8.197 5.556 1.152 783 HG21 ILE 100 1HG2 ILE 100 -4.524 5.736 1.926 784 HG22 ILE 100 2HG2 ILE 100 -5.255 4.806 0.620 785 HG23 ILE 100 3HG2 ILE 100 -5.976 4.783 2.230 786 HD11 ILE 100 3HD1 ILE 100 -8.837 5.893 3.408 787 HD12 ILE 100 1HD1 ILE 100 -7.544 7.064 3.665 788 HD13 ILE 100 2HD1 ILE 100 -7.154 5.363 3.408 789 H LYS 101 H LYS 101 -5.011 8.492 -0.667 790 HA LYS 101 HA LYS 101 -2.419 7.588 -0.825 791 HB2 LYS 101 2HB LYS 101 -3.891 8.511 -2.678 792 HB3 LYS 101 1HB LYS 101 -3.360 10.111 -2.175 793 HG2 LYS 101 2HG LYS 101 -1.007 9.362 -2.561 794 HG3 LYS 101 1HG LYS 101 -1.661 7.878 -3.258 795 HD2 LYS 101 2HD LYS 101 -1.546 9.045 -5.186 796 HD3 LYS 101 1HD LYS 101 -3.076 9.725 -4.629 797 HE2 LYS 101 2HE LYS 101 -1.967 11.665 -5.048 798 HE3 LYS 101 1HE LYS 101 -1.429 11.402 -3.389 799 HZ1 LYS 101 3HZ LYS 101 0.353 11.964 -5.041 800 HZ2 LYS 101 1HZ LYS 101 0.099 10.444 -5.740 801 HZ3 LYS 101 2HZ LYS 101 0.626 10.561 -4.138 802 H MET 102 H MET 102 -3.497 10.816 0.216 803 HA MET 102 HA MET 102 -0.788 11.646 0.749 804 HB2 MET 102 2HB MET 102 -1.748 13.763 1.416 805 HB3 MET 102 1HB MET 102 -2.467 13.238 -0.098 806 HG2 MET 102 2HG MET 102 -4.324 13.929 1.012 807 HG3 MET 102 1HG MET 102 -4.295 12.235 1.492 808 HE1 MET 102 3HE MET 102 -4.522 15.731 4.197 809 HE2 MET 102 1HE MET 102 -5.368 15.296 2.713 810 HE3 MET 102 2HE MET 102 -3.736 15.959 2.635 811 H THR 103 H THR 103 -3.574 10.656 2.603 812 HA THR 103 HA THR 103 -2.518 11.307 5.148 813 HB THR 103 HB THR 103 -4.666 9.323 4.377 814 HG1 THR 103 1HG THR 103 -6.042 10.966 4.689 815 HG21 THR 103 3HG2 THR 103 -4.941 8.751 6.492 816 HG22 THR 103 1HG2 THR 103 -5.001 10.443 6.985 817 HG23 THR 103 2HG2 THR 103 -3.451 9.608 6.883 818 H LEU 104 H LEU 104 -2.632 8.217 3.365 819 HA LEU 104 HA LEU 104 -1.377 6.693 5.358 820 HB2 LEU 104 2HB LEU 104 -1.834 6.394 2.443 821 HB3 LEU 104 1HB LEU 104 -0.559 5.415 3.139 822 HG LEU 104 HG LEU 104 -2.108 4.360 4.657 823 HD11 LEU 104 1HD1 LEU 104 -4.631 4.968 4.120 824 HD12 LEU 104 2HD1 LEU 104 -3.908 6.533 3.748 825 HD13 LEU 104 3HD1 LEU 104 -3.701 5.826 5.350 826 HD21 LEU 104 3HD2 LEU 104 -2.990 4.464 1.786 827 HD22 LEU 104 1HD2 LEU 104 -3.719 3.371 2.962 828 HD23 LEU 104 2HD2 LEU 104 -2.001 3.244 2.588 829 H GLN 105 H GLN 105 0.026 8.193 2.444 830 HA GLN 105 HA GLN 105 2.694 7.624 2.949 831 HB2 GLN 105 2HB GLN 105 3.243 9.436 1.452 832 HB3 GLN 105 1HB GLN 105 1.815 8.611 0.841 833 HG2 GLN 105 2HG GLN 105 0.395 10.370 1.705 834 HG3 GLN 105 1HG GLN 105 1.793 11.181 2.411 835 HE21 GLN 105 1HE2 GLN 105 0.796 9.846 -0.728 836 HE22 GLN 105 2HE2 GLN 105 1.359 11.191 -1.669 837 H GLN 106 H GLN 106 0.594 9.981 4.406 838 HA GLN 106 HA GLN 106 2.544 11.670 5.528 839 HB2 GLN 106 2HB GLN 106 -0.304 11.307 5.746 840 HB3 GLN 106 1HB GLN 106 0.388 11.536 7.345 841 HG2 GLN 106 2HG GLN 106 0.519 13.385 4.985 842 HG3 GLN 106 1HG GLN 106 -0.237 13.667 6.552 843 HE21 GLN 106 1HE2 GLN 106 2.686 13.690 4.736 844 HE22 GLN 106 2HE2 GLN 106 3.699 14.392 5.959 845 H ILE 107 H ILE 107 1.258 8.588 6.447 846 HA ILE 107 HA ILE 107 2.600 8.560 9.021 847 HB ILE 107 HB ILE 107 1.046 6.425 7.546 848 HG12 ILE 107 2HG1 ILE 107 -0.115 7.180 10.038 849 HG13 ILE 107 1HG1 ILE 107 0.244 8.653 9.143 850 HG21 ILE 107 1HG2 ILE 107 2.736 5.407 8.965 851 HG22 ILE 107 2HG2 ILE 107 1.122 5.142 9.627 852 HG23 ILE 107 3HG2 ILE 107 2.178 6.362 10.339 853 HD11 ILE 107 3HD1 ILE 107 -1.555 6.389 8.382 854 HD12 ILE 107 1HD1 ILE 107 -0.933 7.517 7.178 855 HD13 ILE 107 2HD1 ILE 107 -1.922 8.109 8.512 856 H ILE 108 H ILE 108 2.924 7.219 5.809 857 HA ILE 108 HA ILE 108 4.994 5.386 6.215 858 HB ILE 108 HB ILE 108 4.596 7.108 3.766 859 HG12 ILE 108 2HG1 ILE 108 3.198 4.589 4.652 860 HG13 ILE 108 1HG1 ILE 108 2.483 6.140 4.241 861 HG21 ILE 108 1HG2 ILE 108 6.694 5.733 3.969 862 HG22 ILE 108 2HG2 ILE 108 5.696 5.422 2.549 863 HG23 ILE 108 3HG2 ILE 108 5.662 4.304 3.912 864 HD11 ILE 108 3HD1 ILE 108 2.134 5.372 2.203 865 HD12 ILE 108 1HD1 ILE 108 3.034 3.898 2.558 866 HD13 ILE 108 2HD1 ILE 108 3.880 5.326 1.963 867 H SER 109 H SER 109 5.228 8.681 4.918 868 HA SER 109 HA SER 109 7.999 8.902 4.963 869 HB2 SER 109 2HB SER 109 6.164 10.475 3.958 870 HB3 SER 109 1HB SER 109 6.285 11.298 5.512 871 HG SER 109 HG SER 109 7.817 12.291 4.388 872 H ARG 110 H ARG 110 5.754 9.033 7.563 873 HA ARG 110 HA ARG 110 7.099 10.593 9.430 874 HB2 ARG 110 2HB ARG 110 5.394 9.973 10.742 875 HB3 ARG 110 1HB ARG 110 4.834 8.986 9.405 876 HG2 ARG 110 2HG ARG 110 6.015 7.061 10.300 877 HG3 ARG 110 1HG ARG 110 6.648 8.047 11.618 878 HD2 ARG 110 2HD ARG 110 3.803 7.223 11.101 879 HD3 ARG 110 1HD ARG 110 4.803 6.876 12.511 880 HE ARG 110 HE ARG 110 3.282 9.261 12.006 881 HH11 ARG 110 1HH1 ARG 110 6.007 7.919 13.724 882 HH12 ARG 110 2HH1 ARG 110 5.985 9.131 14.960 883 HH21 ARG 110 1HH2 ARG 110 3.252 10.858 13.630 884 HH22 ARG 110 2HH2 ARG 110 4.420 10.800 14.907 885 H TYR 111 H TYR 111 7.367 7.113 8.820 886 HA TYR 111 HA TYR 111 9.449 6.717 10.736 887 HB2 TYR 111 2HB TYR 111 9.014 4.856 8.427 888 HB3 TYR 111 1HB TYR 111 9.443 4.481 10.091 889 HD1 TYR 111 2HD TYR 111 7.653 4.735 11.878 890 HD2 TYR 111 1HD TYR 111 6.778 4.796 7.715 891 HE1 TYR 111 2HE TYR 111 5.299 4.226 12.371 892 HE2 TYR 111 1HE TYR 111 4.422 4.287 8.196 893 HH TYR 111 HH TYR 111 3.130 4.401 11.385 894 H LYS 112 H LYS 112 9.311 7.643 7.399 895 HA LYS 112 HA LYS 112 11.850 6.937 6.527 896 HB2 LYS 112 2HB LYS 112 9.811 8.054 5.296 897 HB3 LYS 112 1HB LYS 112 10.656 9.546 5.687 898 HG2 LYS 112 2HG LYS 112 12.437 9.060 4.312 899 HG3 LYS 112 1HG LYS 112 12.134 7.321 4.360 900 HD2 LYS 112 2HD LYS 112 10.025 9.033 3.170 901 HD3 LYS 112 1HD LYS 112 11.517 8.834 2.249 902 HE2 LYS 112 2HE LYS 112 10.050 7.123 1.523 903 HE3 LYS 112 1HE LYS 112 11.243 6.349 2.565 904 HZ1 LYS 112 3HZ LYS 112 9.673 6.293 4.346 905 HZ2 LYS 112 1HZ LYS 112 8.929 5.629 2.980 906 HZ3 LYS 112 2HZ LYS 112 8.548 7.201 3.470 907 H ASP 113 H ASP 113 10.909 10.229 7.528 908 HA ASP 113 HA ASP 113 13.550 11.145 7.825 909 HB2 ASP 113 2HB ASP 113 10.981 12.183 9.037 910 HB3 ASP 113 1HB ASP 113 12.516 13.045 9.067 911 H ALA 114 H ALA 114 11.280 9.710 10.103 912 HA ALA 114 HA ALA 114 12.732 10.214 12.461 913 HB1 ALA 114 1HB ALA 114 11.296 8.663 13.521 914 HB2 ALA 114 2HB ALA 114 10.960 7.826 12.007 915 HB3 ALA 114 3HB ALA 114 10.330 9.451 12.273 916 H ASP 115 H ASP 115 12.907 7.630 10.081 917 HA ASP 115 HA ASP 115 14.831 6.128 11.643 918 HB2 ASP 115 2HB ASP 115 13.133 4.993 10.220 919 HB3 ASP 115 1HB ASP 115 13.910 5.678 8.796 920 H TYR 90 1HT TYR 90 1.499 -0.156 -15.871 921 HA TYR 90 HA TYR 90 1.012 -0.668 -18.727 922 HB2 TYR 90 2HB TYR 90 -0.348 1.080 -16.662 923 HB3 TYR 90 1HB TYR 90 -0.752 1.044 -18.375 924 HD1 TYR 90 2HD TYR 90 -1.316 -1.378 -19.306 925 HD2 TYR 90 1HD TYR 90 -1.597 -0.220 -15.221 926 HE1 TYR 90 2HE TYR 90 -2.895 -3.219 -18.899 927 HE2 TYR 90 1HE TYR 90 -3.176 -2.058 -14.802 928 HH TYR 90 HH TYR 90 -4.753 -3.457 -16.073 929 H ASP 91 H ASP 91 1.376 2.099 -16.508 930 HA ASP 91 HA ASP 91 2.440 3.832 -18.434 931 HB2 ASP 91 2HB ASP 91 1.542 4.164 -15.915 932 HB3 ASP 91 1HB ASP 91 3.276 4.238 -15.619 933 H SER 92 H SER 92 4.234 2.483 -15.662 934 HA SER 92 HA SER 92 6.699 2.705 -17.222 935 HB2 SER 92 2HB SER 92 6.606 3.684 -14.927 936 HB3 SER 92 1HB SER 92 6.370 2.060 -14.283 937 HG SER 92 HG SER 92 8.398 1.500 -14.966 938 H GLU 93 H GLU 93 5.361 0.345 -14.903 939 HA GLU 93 HA GLU 93 6.057 -1.812 -16.744 940 HB2 GLU 93 2HB GLU 93 6.925 -3.039 -14.571 941 HB3 GLU 93 1HB GLU 93 7.993 -2.036 -15.539 942 HG2 GLU 93 2HG GLU 93 8.371 -0.664 -13.842 943 HG3 GLU 93 1HG GLU 93 6.648 -0.464 -13.533 944 H GLU 94 H GLU 94 4.998 -1.503 -13.347 945 HA GLU 94 HA GLU 94 2.622 -3.094 -14.060 946 HB2 GLU 94 2HB GLU 94 4.315 -3.152 -11.565 947 HB3 GLU 94 1HB GLU 94 2.695 -3.834 -11.620 948 HG2 GLU 94 2HG GLU 94 4.431 -4.733 -13.789 949 HG3 GLU 94 1HG GLU 94 5.000 -5.174 -12.180 950 H PHE 95 H PHE 95 3.917 -0.563 -11.955 951 HA PHE 95 HA PHE 95 1.543 0.986 -12.135 952 HB2 PHE 95 2HB PHE 95 1.130 -0.963 -10.381 953 HB3 PHE 95 1HB PHE 95 2.014 0.126 -9.316 954 HD1 PHE 95 2HD PHE 95 -0.867 0.063 -11.669 955 HD2 PHE 95 1HD PHE 95 0.884 1.799 -8.202 956 HE1 PHE 95 2HE PHE 95 -2.935 1.335 -11.267 957 HE2 PHE 95 1HE PHE 95 -1.179 3.073 -7.791 958 HZ PHE 95 HZ PHE 95 -3.091 2.842 -9.325 959 H GLU 96 H GLU 96 1.659 2.896 -10.550 960 HA GLU 96 HA GLU 96 4.421 3.840 -10.556 961 HB2 GLU 96 2HB GLU 96 2.574 5.198 -11.576 962 HB3 GLU 96 1HB GLU 96 1.905 5.402 -9.963 963 HG2 GLU 96 2HG GLU 96 4.548 6.163 -9.688 964 HG3 GLU 96 1HG GLU 96 4.077 6.800 -11.263 965 H ASP 97 H ASP 97 5.465 4.668 -8.749 966 HA ASP 97 HA ASP 97 4.508 3.600 -6.214 967 HB2 ASP 97 2HB ASP 97 6.915 3.375 -7.148 968 HB3 ASP 97 1HB ASP 97 7.120 5.036 -6.603 969 H VAL 98 H VAL 98 4.718 4.926 -4.241 970 HA VAL 98 HA VAL 98 4.218 7.784 -4.742 971 HB VAL 98 HB VAL 98 2.747 6.119 -2.697 972 HG11 VAL 98 1HG1 VAL 98 2.904 8.995 -3.302 973 HG12 VAL 98 2HG1 VAL 98 2.504 8.169 -1.795 974 HG13 VAL 98 3HG1 VAL 98 1.278 8.358 -3.050 975 HG21 VAL 98 3HG2 VAL 98 2.253 5.711 -5.204 976 HG22 VAL 98 1HG2 VAL 98 1.485 7.298 -5.142 977 HG23 VAL 98 2HG2 VAL 98 0.905 5.996 -4.104 978 H THR 99 H THR 99 6.032 8.696 -3.962 979 HA THR 99 HA THR 99 6.595 8.360 -1.124 980 HB THR 99 HB THR 99 9.141 8.377 -1.942 981 HG1 THR 99 1HG THR 99 8.990 8.164 -4.069 982 HG21 THR 99 3HG2 THR 99 8.373 5.652 -2.173 983 HG22 THR 99 1HG2 THR 99 7.407 6.411 -0.908 984 HG23 THR 99 2HG2 THR 99 9.168 6.474 -0.830 985 H ASP 100 H ASP 100 6.153 10.421 -0.570 986 HA ASP 100 HA ASP 100 7.989 12.472 -1.430 987 HB2 ASP 100 2HB ASP 100 6.079 14.050 -2.012 988 HB3 ASP 100 1HB ASP 100 6.436 12.796 -3.194 989 H GLY 101 H GLY 101 4.914 11.883 0.269 990 HA2 GLY 101 2HA GLY 101 4.212 12.487 2.369 991 HA3 GLY 101 1HA GLY 101 5.912 12.592 2.797 992 H ASN 102 H ASN 102 3.497 14.420 0.914 993 HA ASN 102 HA ASN 102 3.048 16.645 0.780 994 HB2 ASN 102 2HB ASN 102 2.864 16.200 3.325 995 HB3 ASN 102 1HB ASN 102 4.413 17.030 3.433 996 HD21 ASN 102 1HD2 ASN 102 4.530 19.222 2.926 997 HD22 ASN 102 2HD2 ASN 102 3.122 20.221 2.868 998 H GLU 103 H GLU 103 4.532 16.905 -0.951 999 HA GLU 103 HA GLU 103 6.204 17.982 -2.052 1000 HB2 GLU 103 2HB GLU 103 5.944 19.471 0.468 1001 HB3 GLU 103 1HB GLU 103 7.517 19.632 -0.302 1002 HG2 GLU 103 2HG GLU 103 6.118 20.123 -2.438 1003 HG3 GLU 103 1HG GLU 103 4.833 20.477 -1.284 1004 H VAL 104 H VAL 104 7.743 17.954 1.146 1005 HA VAL 104 HA VAL 104 9.835 16.212 0.020 1006 HB VAL 104 HB VAL 104 10.654 18.441 0.626 1007 HG11 VAL 104 1HG1 VAL 104 10.759 18.598 3.334 1008 HG12 VAL 104 2HG1 VAL 104 9.168 17.876 3.092 1009 HG13 VAL 104 3HG1 VAL 104 9.563 19.416 2.329 1010 HG21 VAL 104 3HG2 VAL 104 11.862 16.835 2.778 1011 HG22 VAL 104 1HG2 VAL 104 12.614 17.644 1.403 1012 HG23 VAL 104 2HG2 VAL 104 11.834 16.077 1.185 Start of MODEL 15 1 H2 PRO 1 1HT PRO 1 -12.334 12.948 7.369 2 H3 PRO 1 2HT PRO 1 -13.344 11.722 6.940 3 HA PRO 1 HA PRO 1 -11.987 11.140 5.529 4 HB2 PRO 1 2HB PRO 1 -11.946 13.488 3.810 5 HB3 PRO 1 1HB PRO 1 -12.659 11.896 3.516 6 HG2 PRO 1 2HG PRO 1 -14.153 14.120 3.952 7 HG3 PRO 1 1HG PRO 1 -14.685 12.490 4.404 8 HD2 PRO 1 2HD PRO 1 -13.479 14.636 6.127 9 HD3 PRO 1 1HD PRO 1 -14.860 13.574 6.463 10 H SER 2 H SER 2 -10.586 11.991 7.614 11 HA SER 2 HA SER 2 -8.423 13.671 6.541 12 HB2 SER 2 2HB SER 2 -9.558 14.437 8.650 13 HB3 SER 2 1HB SER 2 -8.939 12.987 9.441 14 HG SER 2 HG SER 2 -6.824 13.721 8.916 15 H HIS 3 H HIS 3 -9.210 10.560 7.902 16 HA HIS 3 HA HIS 3 -6.749 9.450 6.941 17 HB2 HIS 3 2HB HIS 3 -5.855 8.677 9.043 18 HB3 HIS 3 1HB HIS 3 -6.059 10.422 9.132 19 HD1 HIS 3 1HD HIS 3 -9.070 10.499 9.879 20 HD2 HIS 3 2HD HIS 3 -6.254 8.016 11.657 21 HE1 HIS 3 1HE HIS 3 -10.014 9.921 12.136 22 HE2 HIS 3 2HE HIS 3 -8.254 8.487 13.227 23 H SER 4 H SER 4 -9.250 8.865 6.144 24 HA SER 4 HA SER 4 -9.413 6.093 6.440 25 HB2 SER 4 2HB SER 4 -11.560 5.926 7.717 26 HB3 SER 4 1HB SER 4 -10.198 6.471 8.694 27 HG SER 4 HG SER 4 -11.217 8.267 9.043 28 H GLY 5 H GLY 5 -10.476 5.323 4.713 29 HA2 GLY 5 2HA GLY 5 -12.729 6.816 3.607 30 HA3 GLY 5 1HA GLY 5 -11.327 6.612 2.564 31 H ALA 6 H ALA 6 -13.935 5.601 2.012 32 HA ALA 6 HA ALA 6 -14.072 2.836 2.680 33 HB1 ALA 6 1HB ALA 6 -15.742 2.866 0.686 34 HB2 ALA 6 2HB ALA 6 -15.541 4.616 0.785 35 HB3 ALA 6 3HB ALA 6 -16.141 3.716 2.180 36 H ALA 7 H ALA 7 -12.393 1.604 2.083 37 HA ALA 7 HA ALA 7 -11.445 1.774 -0.697 38 HB1 ALA 7 1HB ALA 7 -10.082 0.403 1.616 39 HB2 ALA 7 2HB ALA 7 -9.782 2.079 1.154 40 HB3 ALA 7 3HB ALA 7 -9.400 0.771 0.032 41 H ILE 8 H ILE 8 -10.636 -0.395 -1.564 42 HA ILE 8 HA ILE 8 -12.628 -2.479 -0.945 43 HB ILE 8 HB ILE 8 -11.406 -1.862 -3.634 44 HG12 ILE 8 2HG1 ILE 8 -13.847 -0.946 -2.245 45 HG13 ILE 8 1HG1 ILE 8 -12.933 -0.179 -3.537 46 HG21 ILE 8 1HG2 ILE 8 -12.828 -3.549 -4.540 47 HG22 ILE 8 2HG2 ILE 8 -13.643 -3.775 -2.995 48 HG23 ILE 8 3HG2 ILE 8 -11.960 -4.269 -3.184 49 HD11 ILE 8 3HD1 ILE 8 -14.905 -2.423 -3.864 50 HD12 ILE 8 1HD1 ILE 8 -13.996 -1.648 -5.162 51 HD13 ILE 8 2HD1 ILE 8 -15.184 -0.723 -4.242 52 H PHE 9 H PHE 9 -11.969 -4.618 -0.930 53 HA PHE 9 HA PHE 9 -9.172 -5.232 -1.478 54 HB2 PHE 9 2HB PHE 9 -9.446 -4.550 0.975 55 HB3 PHE 9 1HB PHE 9 -10.388 -6.025 1.167 56 HD1 PHE 9 1HD PHE 9 -7.056 -4.718 0.249 57 HD2 PHE 9 2HD PHE 9 -9.340 -8.112 1.417 58 HE1 PHE 9 1HE PHE 9 -4.979 -5.991 0.596 59 HE2 PHE 9 2HE PHE 9 -7.267 -9.392 1.767 60 HZ PHE 9 HZ PHE 9 -5.083 -8.331 1.356 61 H GLU 10 H GLU 10 -8.842 -7.344 -2.099 62 HA GLU 10 HA GLU 10 -9.418 -9.335 -3.051 63 HB2 GLU 10 2HB GLU 10 -10.798 -9.297 -0.413 64 HB3 GLU 10 1HB GLU 10 -11.220 -10.583 -1.536 65 HG2 GLU 10 2HG GLU 10 -8.976 -11.369 -1.603 66 HG3 GLU 10 1HG GLU 10 -8.397 -9.960 -0.715 67 H LYS 11 H LYS 11 -10.957 -6.950 -3.828 68 HA LYS 11 HA LYS 11 -12.531 -6.578 -5.443 69 HB2 LYS 11 2HB LYS 11 -13.664 -9.331 -4.972 70 HB3 LYS 11 1HB LYS 11 -13.860 -8.306 -6.387 71 HG2 LYS 11 2HG LYS 11 -11.899 -8.935 -7.286 72 HG3 LYS 11 1HG LYS 11 -11.085 -9.021 -5.722 73 HD2 LYS 11 2HD LYS 11 -13.162 -11.049 -6.089 74 HD3 LYS 11 1HD LYS 11 -11.837 -11.171 -7.248 75 HE2 LYS 11 2HE LYS 11 -10.599 -12.159 -5.692 76 HE3 LYS 11 1HE LYS 11 -10.679 -10.692 -4.719 77 HZ1 LYS 11 3HZ LYS 11 -11.469 -12.536 -3.438 78 HZ2 LYS 11 1HZ LYS 11 -12.577 -12.973 -4.640 79 HZ3 LYS 11 2HZ LYS 11 -12.783 -11.529 -3.783 80 H VAL 12 H VAL 12 -13.029 -7.186 -2.225 81 HA VAL 12 HA VAL 12 -15.869 -6.471 -2.354 82 HB VAL 12 HB VAL 12 -15.253 -8.458 -1.001 83 HG11 VAL 12 1HG1 VAL 12 -13.548 -6.483 0.399 84 HG12 VAL 12 2HG1 VAL 12 -13.264 -8.186 0.049 85 HG13 VAL 12 3HG1 VAL 12 -14.343 -7.724 1.362 86 HG21 VAL 12 3HG2 VAL 12 -17.067 -6.477 -0.446 87 HG22 VAL 12 1HG2 VAL 12 -16.248 -6.703 1.100 88 HG23 VAL 12 2HG2 VAL 12 -17.024 -8.073 0.304 89 H SER 13 H SER 13 -16.600 -4.554 -1.611 90 HA SER 13 HA SER 13 -14.593 -2.566 -0.979 91 HB2 SER 13 2HB SER 13 -17.478 -1.855 -0.955 92 HB3 SER 13 1HB SER 13 -16.105 -0.985 -1.641 93 HG SER 13 HG SER 13 -17.776 -2.820 -2.800 94 H GLY 14 H GLY 14 -14.186 -1.728 0.955 95 HA2 GLY 14 2HA GLY 14 -16.099 -2.220 3.138 96 HA3 GLY 14 1HA GLY 14 -14.405 -2.648 3.339 97 H ILE 15 H ILE 15 -13.709 -1.247 4.837 98 HA ILE 15 HA ILE 15 -13.791 1.598 4.131 99 HB ILE 15 HB ILE 15 -14.196 0.723 6.977 100 HG12 ILE 15 2HG1 ILE 15 -16.053 -0.105 5.471 101 HG13 ILE 15 1HG1 ILE 15 -16.557 0.966 6.773 102 HG21 ILE 15 1HG2 ILE 15 -13.463 2.923 6.951 103 HG22 ILE 15 2HG2 ILE 15 -15.222 3.092 7.001 104 HG23 ILE 15 3HG2 ILE 15 -14.362 3.306 5.476 105 HD11 ILE 15 3HD1 ILE 15 -16.974 2.728 5.310 106 HD12 ILE 15 1HD1 ILE 15 -17.577 1.303 4.462 107 HD13 ILE 15 2HD1 ILE 15 -16.019 2.002 4.018 108 H ILE 16 H ILE 16 -11.797 2.347 4.083 109 HA ILE 16 HA ILE 16 -9.720 0.947 5.590 110 HB ILE 16 HB ILE 16 -9.807 2.370 3.051 111 HG12 ILE 16 2HG1 ILE 16 -7.801 0.513 4.338 112 HG13 ILE 16 1HG1 ILE 16 -9.129 0.043 3.285 113 HG21 ILE 16 1HG2 ILE 16 -7.625 3.396 3.115 114 HG22 ILE 16 2HG2 ILE 16 -7.457 2.992 4.825 115 HG23 ILE 16 3HG2 ILE 16 -8.687 4.147 4.305 116 HD11 ILE 16 3HD1 ILE 16 -6.490 0.702 2.574 117 HD12 ILE 16 1HD1 ILE 16 -7.534 1.972 1.934 118 HD13 ILE 16 2HD1 ILE 16 -7.836 0.286 1.514 119 H ALA 17 H ALA 17 -8.975 1.773 7.429 120 HA ALA 17 HA ALA 17 -9.113 4.669 7.844 121 HB1 ALA 17 1HB ALA 17 -10.278 4.538 9.869 122 HB2 ALA 17 2HB ALA 17 -10.045 2.793 9.993 123 HB3 ALA 17 3HB ALA 17 -11.153 3.453 8.783 124 H ILE 18 H ILE 18 -7.394 5.499 8.850 125 HA ILE 18 HA ILE 18 -5.246 3.698 9.610 126 HB ILE 18 HB ILE 18 -5.268 6.718 9.523 127 HG12 ILE 18 2HG1 ILE 18 -3.745 6.039 7.433 128 HG13 ILE 18 1HG1 ILE 18 -4.797 4.627 7.457 129 HG21 ILE 18 1HG2 ILE 18 -3.535 5.558 10.970 130 HG22 ILE 18 2HG2 ILE 18 -2.925 6.654 9.731 131 HG23 ILE 18 3HG2 ILE 18 -2.868 4.912 9.472 132 HD11 ILE 18 3HD1 ILE 18 -5.908 7.406 7.482 133 HD12 ILE 18 1HD1 ILE 18 -6.703 5.898 7.028 134 HD13 ILE 18 2HD1 ILE 18 -5.464 6.592 5.982 135 H ASN 19 H ASN 19 -4.893 3.085 11.631 136 HA ASN 19 HA ASN 19 -6.283 4.403 13.816 137 HB2 ASN 19 2HB ASN 19 -5.854 1.796 13.358 138 HB3 ASN 19 1HB ASN 19 -4.424 2.139 14.328 139 HD21 ASN 19 1HD2 ASN 19 -4.934 1.141 16.181 140 HD22 ASN 19 2HD2 ASN 19 -6.307 1.522 17.157 141 H GLU 20 H GLU 20 -5.297 6.257 14.400 142 HA GLU 20 HA GLU 20 -2.395 6.357 14.615 143 HB2 GLU 20 2HB GLU 20 -4.433 8.526 15.145 144 HB3 GLU 20 1HB GLU 20 -2.693 8.740 15.021 145 HG2 GLU 20 2HG GLU 20 -3.169 7.597 12.646 146 HG3 GLU 20 1HG GLU 20 -4.719 8.395 12.909 147 H ASP 21 H ASP 21 -4.358 4.890 16.503 148 HA ASP 21 HA ASP 21 -3.780 6.213 19.028 149 HB2 ASP 21 2HB ASP 21 -5.297 3.668 18.409 150 HB3 ASP 21 1HB ASP 21 -5.121 4.366 20.016 151 H VAL 22 H VAL 22 -2.424 3.882 16.979 152 HA VAL 22 HA VAL 22 -1.023 2.430 19.069 153 HB VAL 22 HB VAL 22 0.023 1.210 17.171 154 HG11 VAL 22 1HG1 VAL 22 -1.815 -0.117 16.766 155 HG12 VAL 22 2HG1 VAL 22 -2.912 1.258 16.636 156 HG13 VAL 22 3HG1 VAL 22 -2.320 0.748 18.217 157 HG21 VAL 22 3HG2 VAL 22 -0.351 1.721 14.958 158 HG22 VAL 22 1HG2 VAL 22 -0.289 3.331 15.675 159 HG23 VAL 22 2HG2 VAL 22 -1.847 2.593 15.303 160 H SER 23 H SER 23 1.466 2.050 17.838 161 HA SER 23 HA SER 23 2.672 4.663 18.338 162 HB2 SER 23 2HB SER 23 4.498 2.402 17.935 163 HB3 SER 23 1HB SER 23 4.421 3.572 19.253 164 HG SER 23 HG SER 23 2.573 2.340 20.016 165 HA PRO 24 HA PRO 24 4.504 3.670 14.092 166 HB2 PRO 24 2HB PRO 24 3.837 1.171 13.015 167 HB3 PRO 24 1HB PRO 24 5.353 1.596 13.806 168 HG2 PRO 24 2HG PRO 24 3.421 -0.220 14.744 169 HG3 PRO 24 1HG PRO 24 4.796 0.422 15.657 170 HD2 PRO 24 2HD PRO 24 1.938 1.249 15.702 171 HD3 PRO 24 1HD PRO 24 3.148 1.283 17.001 172 H ALA 25 H ALA 25 1.418 3.600 14.790 173 HA ALA 25 HA ALA 25 -0.564 4.006 13.746 174 HB1 ALA 25 1HB ALA 25 0.120 5.143 11.310 175 HB2 ALA 25 2HB ALA 25 1.475 5.528 12.374 176 HB3 ALA 25 3HB ALA 25 -0.165 5.989 12.832 177 H GLU 26 H GLU 26 -1.777 2.399 13.025 178 HA GLU 26 HA GLU 26 -0.828 0.829 10.718 179 HB2 GLU 26 2HB GLU 26 -2.842 0.031 12.826 180 HB3 GLU 26 1HB GLU 26 -2.212 -0.991 11.542 181 HG2 GLU 26 2HG GLU 26 0.072 -0.645 12.556 182 HG3 GLU 26 1HG GLU 26 -0.752 0.084 13.934 183 H LEU 27 H LEU 27 -2.550 -0.057 9.325 184 HA LEU 27 HA LEU 27 -4.770 1.843 8.981 185 HB2 LEU 27 2HB LEU 27 -3.104 1.996 7.188 186 HB3 LEU 27 1HB LEU 27 -3.260 0.278 6.885 187 HG LEU 27 HG LEU 27 -5.827 1.624 6.703 188 HD11 LEU 27 1HD1 LEU 27 -3.867 2.421 4.581 189 HD12 LEU 27 2HD1 LEU 27 -4.143 3.433 5.999 190 HD13 LEU 27 3HD1 LEU 27 -5.477 3.062 4.907 191 HD21 LEU 27 3HD2 LEU 27 -5.527 0.568 4.327 192 HD22 LEU 27 1HD2 LEU 27 -5.782 -0.460 5.738 193 HD23 LEU 27 2HD2 LEU 27 -4.156 -0.247 5.085 194 H THR 28 H THR 28 -6.586 0.868 9.682 195 HA THR 28 HA THR 28 -6.849 -2.029 9.321 196 HB THR 28 HB THR 28 -8.509 -0.195 11.050 197 HG1 THR 28 1HG THR 28 -6.922 -0.264 12.392 198 HG21 THR 28 3HG2 THR 28 -9.321 -2.099 12.145 199 HG22 THR 28 1HG2 THR 28 -8.151 -3.156 11.354 200 HG23 THR 28 2HG2 THR 28 -9.471 -2.448 10.423 201 H TRP 29 H TRP 29 -8.001 -2.740 7.674 202 HA TRP 29 HA TRP 29 -9.981 -1.048 6.404 203 HB2 TRP 29 2HB TRP 29 -8.469 -2.225 4.927 204 HB3 TRP 29 1HB TRP 29 -8.860 -3.765 5.688 205 HD1 TRP 29 HD TRP 29 -10.599 -1.028 3.613 206 HE1 TRP 29 1HE TRP 29 -12.443 -2.137 2.181 207 HE3 TRP 29 3HE TRP 29 -10.214 -5.790 5.390 208 HZ2 TRP 29 2HZ TRP 29 -13.577 -4.710 1.870 209 HZ3 TRP 29 3HZ TRP 29 -11.715 -7.517 4.488 210 HH2 TRP 29 HH TRP 29 -13.358 -6.987 2.767 211 H ARG 30 H ARG 30 -11.945 -1.056 7.294 212 HA ARG 30 HA ARG 30 -12.996 -3.587 8.373 213 HB2 ARG 30 2HB ARG 30 -13.698 -0.713 8.971 214 HB3 ARG 30 1HB ARG 30 -14.687 -2.064 9.505 215 HG2 ARG 30 2HG ARG 30 -12.454 -2.932 10.531 216 HG3 ARG 30 1HG ARG 30 -11.963 -1.242 10.395 217 HD2 ARG 30 2HD ARG 30 -14.621 -1.511 11.522 218 HD3 ARG 30 1HD ARG 30 -13.417 -2.391 12.462 219 HE ARG 30 HE ARG 30 -12.498 -0.392 13.110 220 HH11 ARG 30 1HH1 ARG 30 -14.704 0.168 10.464 221 HH12 ARG 30 2HH1 ARG 30 -14.647 1.893 10.617 222 HH21 ARG 30 1HH2 ARG 30 -12.422 1.874 13.313 223 HH22 ARG 30 2HH2 ARG 30 -13.351 2.861 12.234 224 H SER 31 H SER 31 -14.289 -4.624 7.000 225 HA SER 31 HA SER 31 -15.290 -3.736 4.620 226 HB2 SER 31 2HB SER 31 -16.809 -5.610 4.647 227 HB3 SER 31 1HB SER 31 -15.308 -6.105 5.430 228 HG SER 31 HG SER 31 -16.430 -5.518 7.451 229 H THR 32 H THR 32 -17.611 -3.416 3.985 230 HA THR 32 HA THR 32 -18.678 -1.199 5.429 231 HB THR 32 HB THR 32 -20.527 -2.207 3.505 232 HG1 THR 32 1HG THR 32 -19.143 -2.213 1.691 233 HG21 THR 32 3HG2 THR 32 -20.104 -0.164 2.326 234 HG22 THR 32 1HG2 THR 32 -18.621 0.100 3.244 235 HG23 THR 32 2HG2 THR 32 -20.185 0.168 4.056 236 H ASP 33 H ASP 33 -19.581 -4.517 4.857 237 HA ASP 33 HA ASP 33 -21.980 -4.338 6.406 238 HB2 ASP 33 2HB ASP 33 -20.556 -6.568 5.003 239 HB3 ASP 33 1HB ASP 33 -21.866 -6.922 6.123 240 H GLY 34 H GLY 34 -18.729 -5.521 6.870 241 HA2 GLY 34 2HA GLY 34 -17.711 -5.422 9.048 242 HA3 GLY 34 1HA GLY 34 -19.292 -5.728 9.753 243 H ASP 35 H ASP 35 -18.232 -7.545 6.993 244 HA ASP 35 HA ASP 35 -18.056 -9.926 8.699 245 HB2 ASP 35 2HB ASP 35 -19.635 -9.563 6.548 246 HB3 ASP 35 1HB ASP 35 -18.210 -10.223 5.754 247 H LYS 36 H LYS 36 -16.193 -7.843 6.729 248 HA LYS 36 HA LYS 36 -13.944 -9.734 6.896 249 HB2 LYS 36 2HB LYS 36 -14.551 -7.884 4.582 250 HB3 LYS 36 1HB LYS 36 -13.117 -8.890 4.733 251 HG2 LYS 36 2HG LYS 36 -14.218 -10.788 4.182 252 HG3 LYS 36 1HG LYS 36 -15.726 -10.263 4.931 253 HD2 LYS 36 2HD LYS 36 -16.454 -9.904 2.848 254 HD3 LYS 36 1HD LYS 36 -15.412 -8.481 2.857 255 HE2 LYS 36 2HE LYS 36 -14.775 -11.225 1.794 256 HE3 LYS 36 1HE LYS 36 -14.930 -9.727 0.879 257 HZ1 LYS 36 3HZ LYS 36 -12.774 -10.508 2.750 258 HZ2 LYS 36 1HZ LYS 36 -12.997 -8.905 2.256 259 HZ3 LYS 36 2HZ LYS 36 -12.642 -10.100 1.113 260 H VAL 37 H VAL 37 -11.974 -8.904 7.444 261 HA VAL 37 HA VAL 37 -11.706 -6.016 7.759 262 HB VAL 37 HB VAL 37 -12.449 -7.531 9.924 263 HG11 VAL 37 1HG1 VAL 37 -10.593 -7.772 11.413 264 HG12 VAL 37 2HG1 VAL 37 -9.491 -7.052 10.240 265 HG13 VAL 37 3HG1 VAL 37 -10.212 -8.628 9.917 266 HG21 VAL 37 3HG2 VAL 37 -10.887 -4.957 9.864 267 HG22 VAL 37 1HG2 VAL 37 -11.787 -5.561 11.257 268 HG23 VAL 37 2HG2 VAL 37 -12.639 -5.139 9.771 269 H HIS 38 H HIS 38 -9.494 -5.321 8.118 270 HA HIS 38 HA HIS 38 -7.366 -7.249 7.800 271 HB2 HIS 38 2HB HIS 38 -8.391 -6.553 5.464 272 HB3 HIS 38 1HB HIS 38 -7.409 -5.111 5.710 273 HD1 HIS 38 1HD HIS 38 -6.465 -8.692 6.538 274 HD2 HIS 38 2HD HIS 38 -5.334 -5.590 4.015 275 HE1 HIS 38 1HE HIS 38 -4.373 -9.487 5.391 276 HE2 HIS 38 2HE HIS 38 -3.755 -7.628 3.806 277 H THR 39 H THR 39 -5.334 -6.420 8.349 278 HA THR 39 HA THR 39 -5.321 -3.625 9.280 279 HB THR 39 HB THR 39 -3.807 -5.805 10.692 280 HG1 THR 39 1HG THR 39 -6.015 -6.371 10.726 281 HG21 THR 39 3HG2 THR 39 -3.481 -4.341 12.383 282 HG22 THR 39 1HG2 THR 39 -4.984 -3.473 12.075 283 HG23 THR 39 2HG2 THR 39 -3.579 -3.192 11.048 284 H VAL 40 H VAL 40 -3.613 -2.420 8.716 285 HA VAL 40 HA VAL 40 -1.269 -3.770 7.546 286 HB VAL 40 HB VAL 40 -2.909 -1.553 6.433 287 HG11 VAL 40 1HG1 VAL 40 -0.982 -0.280 6.484 288 HG12 VAL 40 2HG1 VAL 40 -0.837 -1.082 4.919 289 HG13 VAL 40 3HG1 VAL 40 0.072 -1.683 6.307 290 HG21 VAL 40 3HG2 VAL 40 -3.174 -3.690 5.440 291 HG22 VAL 40 1HG2 VAL 40 -1.426 -3.917 5.335 292 HG23 VAL 40 2HG2 VAL 40 -2.227 -2.717 4.313 293 H VAL 41 H VAL 41 0.641 -3.103 8.284 294 HA VAL 41 HA VAL 41 0.580 -0.824 10.121 295 HB VAL 41 HB VAL 41 2.593 -3.066 9.913 296 HG11 VAL 41 1HG1 VAL 41 2.590 -0.636 11.709 297 HG12 VAL 41 2HG1 VAL 41 3.794 -1.050 10.488 298 HG13 VAL 41 3HG1 VAL 41 3.626 -2.046 11.933 299 HG21 VAL 41 3HG2 VAL 41 1.714 -3.173 12.414 300 HG22 VAL 41 1HG2 VAL 41 0.870 -3.982 11.092 301 HG23 VAL 41 2HG2 VAL 41 0.298 -2.418 11.678 302 H LEU 42 H LEU 42 0.970 0.987 9.093 303 HA LEU 42 HA LEU 42 2.318 1.379 6.728 304 HB2 LEU 42 2HB LEU 42 1.800 3.171 9.076 305 HB3 LEU 42 1HB LEU 42 2.689 3.756 7.682 306 HG LEU 42 HG LEU 42 0.395 4.418 7.456 307 HD11 LEU 42 1HD1 LEU 42 0.306 2.177 5.562 308 HD12 LEU 42 2HD1 LEU 42 1.794 3.126 5.533 309 HD13 LEU 42 3HD1 LEU 42 0.237 3.916 5.274 310 HD21 LEU 42 3HD2 LEU 42 -1.458 3.043 7.695 311 HD22 LEU 42 1HD2 LEU 42 -0.380 2.452 8.960 312 HD23 LEU 42 2HD2 LEU 42 -0.523 1.570 7.439 313 H SER 43 H SER 43 3.650 0.838 9.883 314 HA SER 43 HA SER 43 6.210 1.964 9.441 315 HB2 SER 43 2HB SER 43 4.892 0.448 11.520 316 HB3 SER 43 1HB SER 43 6.535 -0.140 11.266 317 HG SER 43 HG SER 43 7.089 1.522 12.418 318 H THR 44 H THR 44 4.783 -1.107 8.689 319 HA THR 44 HA THR 44 7.330 -2.252 7.870 320 HB THR 44 HB THR 44 6.269 -4.311 7.753 321 HG1 THR 44 1HG THR 44 3.860 -2.899 7.271 322 HG21 THR 44 3HG2 THR 44 4.635 -4.531 9.569 323 HG22 THR 44 1HG2 THR 44 4.537 -2.775 9.670 324 HG23 THR 44 2HG2 THR 44 6.051 -3.596 10.047 325 H ILE 45 H ILE 45 4.442 -0.894 6.541 326 HA ILE 45 HA ILE 45 4.445 -1.701 3.941 327 HB ILE 45 HB ILE 45 3.890 1.074 4.988 328 HG12 ILE 45 2HG1 ILE 45 2.408 -0.537 5.963 329 HG13 ILE 45 1HG1 ILE 45 1.507 0.304 4.705 330 HG21 ILE 45 1HG2 ILE 45 4.346 1.196 2.604 331 HG22 ILE 45 2HG2 ILE 45 2.629 1.445 2.915 332 HG23 ILE 45 3HG2 ILE 45 3.197 -0.107 2.301 333 HD11 ILE 45 3HD1 ILE 45 1.985 -1.606 3.185 334 HD12 ILE 45 1HD1 ILE 45 0.990 -2.018 4.581 335 HD13 ILE 45 2HD1 ILE 45 2.699 -2.452 4.559 336 H ASP 46 H ASP 46 6.232 -1.982 2.761 337 HA ASP 46 HA ASP 46 8.579 -0.494 2.878 338 HB2 ASP 46 2HB ASP 46 7.838 -2.760 1.595 339 HB3 ASP 46 1HB ASP 46 7.884 -1.639 0.238 340 H LYS 47 H LYS 47 5.628 0.059 1.061 341 HA LYS 47 HA LYS 47 6.185 2.783 0.663 342 HB2 LYS 47 2HB LYS 47 6.339 2.666 -1.882 343 HB3 LYS 47 1HB LYS 47 7.784 2.243 -0.975 344 HG2 LYS 47 2HG LYS 47 6.825 -0.189 -1.207 345 HG3 LYS 47 1HG LYS 47 5.973 0.520 -2.579 346 HD2 LYS 47 2HD LYS 47 7.861 -0.053 -3.683 347 HD3 LYS 47 1HD LYS 47 8.446 1.478 -3.027 348 HE2 LYS 47 2HE LYS 47 9.651 0.422 -1.325 349 HE3 LYS 47 1HE LYS 47 8.754 -1.086 -1.504 350 HZ1 LYS 47 3HZ LYS 47 9.930 -1.657 -3.395 351 HZ2 LYS 47 1HZ LYS 47 11.126 -0.941 -2.435 352 HZ3 LYS 47 2HZ LYS 47 10.430 -0.072 -3.708 353 H LEU 48 H LEU 48 4.599 3.803 -0.877 354 HA LEU 48 HA LEU 48 2.051 2.331 -0.744 355 HB2 LEU 48 2HB LEU 48 2.790 4.938 0.090 356 HB3 LEU 48 1HB LEU 48 1.711 5.131 -1.278 357 HG LEU 48 HG LEU 48 0.250 3.381 0.082 358 HD11 LEU 48 1HD1 LEU 48 0.441 3.557 2.423 359 HD12 LEU 48 2HD1 LEU 48 1.607 4.875 2.308 360 HD13 LEU 48 3HD1 LEU 48 2.072 3.241 1.834 361 HD21 LEU 48 3HD2 LEU 48 -1.109 5.154 0.700 362 HD22 LEU 48 1HD2 LEU 48 -0.152 5.844 -0.612 363 HD23 LEU 48 2HD2 LEU 48 0.258 6.208 1.065 364 H GLN 49 H GLN 49 0.492 2.837 -2.511 365 HA GLN 49 HA GLN 49 1.713 3.711 -5.011 366 HB2 GLN 49 2HB GLN 49 0.860 0.934 -4.405 367 HB3 GLN 49 1HB GLN 49 0.443 1.565 -5.991 368 HG2 GLN 49 2HG GLN 49 2.636 1.734 -6.653 369 HG3 GLN 49 1HG GLN 49 3.238 1.842 -5.000 370 HE21 GLN 49 1HE2 GLN 49 2.971 -0.109 -7.648 371 HE22 GLN 49 2HE2 GLN 49 3.222 -1.651 -6.890 372 H ALA 50 H ALA 50 0.348 4.857 -6.228 373 HA ALA 50 HA ALA 50 -2.538 4.517 -5.857 374 HB1 ALA 50 1HB ALA 50 -1.986 6.331 -4.382 375 HB2 ALA 50 2HB ALA 50 -2.827 6.981 -5.789 376 HB3 ALA 50 3HB ALA 50 -1.077 7.146 -5.654 377 H THR 51 H THR 51 -3.789 5.017 -7.642 378 HA THR 51 HA THR 51 -2.429 4.928 -10.175 379 HB THR 51 HB THR 51 -4.954 5.238 -10.933 380 HG1 THR 51 1HG THR 51 -5.635 5.725 -8.772 381 HG21 THR 51 3HG2 THR 51 -3.870 3.185 -11.370 382 HG22 THR 51 1HG2 THR 51 -5.360 2.802 -10.507 383 HG23 THR 51 2HG2 THR 51 -3.816 2.770 -9.657 384 HA PRO 52 HA PRO 52 -1.908 9.442 -10.223 385 HB2 PRO 52 2HB PRO 52 -1.023 9.267 -12.878 386 HB3 PRO 52 1HB PRO 52 0.000 9.267 -11.437 387 HG2 PRO 52 2HG PRO 52 -1.074 6.948 -12.994 388 HG3 PRO 52 1HG PRO 52 0.548 7.179 -12.312 389 HD2 PRO 52 2HD PRO 52 -1.141 5.599 -11.089 390 HD3 PRO 52 1HD PRO 52 -0.217 6.773 -10.123 391 H ALA 53 H ALA 53 -2.759 11.143 -11.607 392 HA ALA 53 HA ALA 53 -5.450 10.769 -12.296 393 HB1 ALA 53 1HB ALA 53 -3.732 12.991 -13.365 394 HB2 ALA 53 2HB ALA 53 -4.273 12.934 -11.686 395 HB3 ALA 53 3HB ALA 53 -5.455 13.018 -12.992 396 H SER 54 H SER 54 -2.634 9.958 -14.038 397 HA SER 54 HA SER 54 -3.855 10.219 -16.652 398 HB2 SER 54 2HB SER 54 -1.457 10.644 -16.423 399 HB3 SER 54 1HB SER 54 -1.211 9.007 -15.814 400 HG SER 54 HG SER 54 -0.842 9.478 -18.166 401 H SER 55 H SER 55 -3.669 7.872 -14.172 402 HA SER 55 HA SER 55 -3.936 5.553 -15.816 403 HB2 SER 55 2HB SER 55 -4.943 5.342 -13.074 404 HB3 SER 55 1HB SER 55 -3.664 4.433 -13.874 405 HG SER 55 HG SER 55 -2.830 5.689 -12.184 406 H GLU 56 H GLU 56 -5.739 4.595 -16.577 407 HA GLU 56 HA GLU 56 -8.195 6.033 -16.548 408 HB2 GLU 56 2HB GLU 56 -7.243 3.469 -17.733 409 HB3 GLU 56 1HB GLU 56 -8.976 3.736 -17.615 410 HG2 GLU 56 2HG GLU 56 -8.712 5.834 -18.874 411 HG3 GLU 56 1HG GLU 56 -6.990 5.493 -19.039 412 H LYS 57 H LYS 57 -6.910 3.341 -14.779 413 HA LYS 57 HA LYS 57 -9.484 2.928 -13.431 414 HB2 LYS 57 2HB LYS 57 -7.095 1.202 -12.920 415 HB3 LYS 57 1HB LYS 57 -8.801 0.785 -12.872 416 HG2 LYS 57 2HG LYS 57 -7.096 1.203 -15.315 417 HG3 LYS 57 1HG LYS 57 -7.802 -0.309 -14.743 418 HD2 LYS 57 2HD LYS 57 -9.332 2.108 -15.705 419 HD3 LYS 57 1HD LYS 57 -9.073 0.619 -16.616 420 HE2 LYS 57 2HE LYS 57 -10.237 -0.611 -14.778 421 HE3 LYS 57 1HE LYS 57 -10.624 0.949 -14.053 422 HZ1 LYS 57 3HZ LYS 57 -12.496 0.476 -15.287 423 HZ2 LYS 57 1HZ LYS 57 -11.629 -0.227 -16.560 424 HZ3 LYS 57 2HZ LYS 57 -11.624 1.452 -16.358 425 H MET 58 H MET 58 -9.740 3.246 -11.259 426 HA MET 58 HA MET 58 -7.561 4.683 -9.917 427 HB2 MET 58 2HB MET 58 -10.441 4.509 -9.035 428 HB3 MET 58 1HB MET 58 -9.220 5.653 -8.495 429 HG2 MET 58 2HG MET 58 -9.224 6.188 -11.126 430 HG3 MET 58 1HG MET 58 -10.894 5.667 -10.914 431 HE1 MET 58 3HE MET 58 -9.121 8.111 -7.810 432 HE2 MET 58 1HE MET 58 -8.589 9.071 -9.191 433 HE3 MET 58 2HE MET 58 -8.180 7.357 -9.097 434 H MET 59 H MET 59 -6.295 3.313 -8.816 435 HA MET 59 HA MET 59 -7.464 1.762 -6.674 436 HB2 MET 59 2HB MET 59 -5.660 0.279 -8.564 437 HB3 MET 59 1HB MET 59 -6.712 -0.369 -7.315 438 HG2 MET 59 2HG MET 59 -8.666 0.194 -8.635 439 HG3 MET 59 1HG MET 59 -7.640 0.918 -9.873 440 HE1 MET 59 3HE MET 59 -5.548 -0.327 -10.558 441 HE2 MET 59 1HE MET 59 -5.834 -1.753 -11.557 442 HE3 MET 59 2HE MET 59 -5.211 -1.936 -9.916 443 H LEU 60 H LEU 60 -6.094 1.499 -4.972 444 HA LEU 60 HA LEU 60 -3.360 2.551 -5.329 445 HB2 LEU 60 2HB LEU 60 -5.398 2.915 -3.214 446 HB3 LEU 60 1HB LEU 60 -3.742 2.746 -2.668 447 HG LEU 60 HG LEU 60 -3.061 4.673 -3.957 448 HD11 LEU 60 1HD1 LEU 60 -4.600 5.972 -5.282 449 HD12 LEU 60 2HD1 LEU 60 -5.924 4.880 -4.873 450 HD13 LEU 60 3HD1 LEU 60 -4.583 4.307 -5.866 451 HD21 LEU 60 3HD2 LEU 60 -4.514 4.767 -1.702 452 HD22 LEU 60 1HD2 LEU 60 -5.535 5.743 -2.759 453 HD23 LEU 60 2HD2 LEU 60 -3.851 6.197 -2.492 454 H ARG 61 H ARG 61 -1.633 1.418 -4.498 455 HA ARG 61 HA ARG 61 -2.257 -1.248 -3.412 456 HB2 ARG 61 2HB ARG 61 -0.275 -0.336 -5.431 457 HB3 ARG 61 1HB ARG 61 0.209 -1.639 -4.354 458 HG2 ARG 61 2HG ARG 61 -2.222 -2.518 -5.121 459 HG3 ARG 61 1HG ARG 61 -1.730 -1.623 -6.560 460 HD2 ARG 61 2HD ARG 61 0.107 -3.590 -5.235 461 HD3 ARG 61 1HD ARG 61 -1.109 -4.113 -6.400 462 HE ARG 61 HE ARG 61 0.429 -1.986 -7.458 463 HH11 ARG 61 1HH1 ARG 61 0.605 -5.394 -6.728 464 HH12 ARG 61 2HH1 ARG 61 1.784 -5.723 -7.952 465 HH21 ARG 61 1HH2 ARG 61 1.981 -2.416 -9.069 466 HH22 ARG 61 2HH2 ARG 61 2.566 -4.032 -9.282 467 H LEU 62 H LEU 62 -0.848 -2.136 -1.849 468 HA LEU 62 HA LEU 62 0.813 -0.164 -0.429 469 HB2 LEU 62 2HB LEU 62 -1.588 -1.051 0.476 470 HB3 LEU 62 1HB LEU 62 -0.519 -2.239 1.188 471 HG LEU 62 HG LEU 62 0.230 -0.806 2.750 472 HD11 LEU 62 1HD1 LEU 62 0.721 1.582 2.351 473 HD12 LEU 62 2HD1 LEU 62 0.190 1.375 0.681 474 HD13 LEU 62 3HD1 LEU 62 1.597 0.494 1.276 475 HD21 LEU 62 3HD2 LEU 62 -2.098 0.821 1.767 476 HD22 LEU 62 1HD2 LEU 62 -1.351 0.941 3.360 477 HD23 LEU 62 2HD2 LEU 62 -2.184 -0.540 2.886 478 H ILE 63 H ILE 63 2.859 -0.815 -0.375 479 HA ILE 63 HA ILE 63 3.521 -3.620 -0.751 480 HB ILE 63 HB ILE 63 5.354 -1.239 -0.421 481 HG12 ILE 63 2HG1 ILE 63 3.946 -1.080 -2.432 482 HG13 ILE 63 1HG1 ILE 63 5.634 -1.361 -2.851 483 HG21 ILE 63 1HG2 ILE 63 6.510 -3.251 0.170 484 HG22 ILE 63 2HG2 ILE 63 7.045 -2.762 -1.437 485 HG23 ILE 63 3HG2 ILE 63 5.891 -4.083 -1.256 486 HD11 ILE 63 3HD1 ILE 63 4.757 -3.889 -2.772 487 HD12 ILE 63 1HD1 ILE 63 4.736 -2.888 -4.224 488 HD13 ILE 63 2HD1 ILE 63 3.274 -3.062 -3.251 489 H GLY 64 H GLY 64 4.999 -4.740 0.685 490 HA2 GLY 64 2HA GLY 64 4.812 -3.763 3.472 491 HA3 GLY 64 1HA GLY 64 4.617 -5.456 3.042 492 H LYS 65 H LYS 65 6.479 -4.622 4.948 493 HA LYS 65 HA LYS 65 9.059 -4.181 3.939 494 HB2 LYS 65 2HB LYS 65 7.947 -4.390 6.445 495 HB3 LYS 65 1HB LYS 65 8.954 -5.830 6.362 496 HG2 LYS 65 2HG LYS 65 10.198 -4.020 7.345 497 HG3 LYS 65 1HG LYS 65 10.882 -4.421 5.767 498 HD2 LYS 65 2HD LYS 65 9.742 -2.532 4.762 499 HD3 LYS 65 1HD LYS 65 8.959 -2.157 6.299 500 HE2 LYS 65 2HE LYS 65 10.788 -0.663 6.081 501 HE3 LYS 65 1HE LYS 65 11.258 -1.871 7.276 502 HZ1 LYS 65 3HZ LYS 65 11.996 -2.116 4.421 503 HZ2 LYS 65 1HZ LYS 65 12.665 -2.923 5.749 504 HZ3 LYS 65 2HZ LYS 65 12.960 -1.272 5.526 505 H VAL 66 H VAL 66 10.687 -5.524 3.275 506 HA VAL 66 HA VAL 66 9.963 -8.300 2.781 507 HB VAL 66 HB VAL 66 10.348 -6.897 0.812 508 HG11 VAL 66 1HG1 VAL 66 13.114 -6.637 0.697 509 HG12 VAL 66 2HG1 VAL 66 12.661 -6.070 2.305 510 HG13 VAL 66 3HG1 VAL 66 11.923 -5.348 0.875 511 HG21 VAL 66 3HG2 VAL 66 10.810 -8.928 0.016 512 HG22 VAL 66 1HG2 VAL 66 11.773 -9.360 1.429 513 HG23 VAL 66 2HG2 VAL 66 12.503 -8.444 0.111 514 H ASP 67 H ASP 67 13.052 -8.044 2.192 515 HA ASP 67 HA ASP 67 14.389 -8.018 4.632 516 HB2 ASP 67 2HB ASP 67 12.818 -10.192 4.639 517 HB3 ASP 67 1HB ASP 67 14.213 -10.868 3.802 518 H GLU 68 H GLU 68 16.602 -8.305 4.403 519 HA GLU 68 HA GLU 68 17.507 -8.728 1.638 520 HB2 GLU 68 2HB GLU 68 18.662 -7.080 3.881 521 HB3 GLU 68 1HB GLU 68 19.562 -7.450 2.417 522 HG2 GLU 68 2HG GLU 68 18.018 -6.253 1.067 523 HG3 GLU 68 1HG GLU 68 16.889 -6.078 2.409 524 H SER 69 H SER 69 17.712 -9.905 4.849 525 HA SER 69 HA SER 69 20.210 -11.167 4.805 526 HB2 SER 69 2HB SER 69 19.198 -12.687 6.550 527 HB3 SER 69 1HB SER 69 19.056 -10.962 6.893 528 HG SER 69 HG SER 69 17.029 -11.526 7.164 529 H LYS 70 H LYS 70 17.303 -11.911 3.150 530 HA LYS 70 HA LYS 70 18.546 -14.342 2.092 531 HB2 LYS 70 2HB LYS 70 15.792 -14.125 3.284 532 HB3 LYS 70 1HB LYS 70 16.186 -15.366 2.103 533 HG2 LYS 70 2HG LYS 70 18.036 -15.130 4.383 534 HG3 LYS 70 1HG LYS 70 16.408 -15.702 4.755 535 HD2 LYS 70 2HD LYS 70 18.010 -16.878 2.505 536 HD3 LYS 70 1HD LYS 70 18.196 -17.448 4.165 537 HE2 LYS 70 2HE LYS 70 16.544 -18.867 3.598 538 HE3 LYS 70 1HE LYS 70 15.506 -17.480 3.930 539 HZ1 LYS 70 3HZ LYS 70 15.184 -17.076 1.710 540 HZ2 LYS 70 1HZ LYS 70 15.290 -18.764 1.702 541 HZ3 LYS 70 2HZ LYS 70 16.620 -17.830 1.233 542 H LYS 71 H LYS 71 18.996 -13.272 0.172 543 HA LYS 71 HA LYS 71 16.892 -11.928 -1.283 544 HB2 LYS 71 2HB LYS 71 19.699 -12.624 -2.164 545 HB3 LYS 71 1HB LYS 71 18.601 -11.516 -2.975 546 HG2 LYS 71 2HG LYS 71 18.714 -10.512 -0.418 547 HG3 LYS 71 1HG LYS 71 20.361 -11.077 -0.704 548 HD2 LYS 71 2HD LYS 71 18.932 -9.429 -2.758 549 HD3 LYS 71 1HD LYS 71 19.726 -8.661 -1.382 550 HE2 LYS 71 2HE LYS 71 21.759 -10.123 -2.085 551 HE3 LYS 71 1HE LYS 71 20.923 -10.220 -3.635 552 HZ1 LYS 71 3HZ LYS 71 21.717 -7.711 -2.257 553 HZ2 LYS 71 1HZ LYS 71 20.927 -7.809 -3.750 554 HZ3 LYS 71 2HZ LYS 71 22.506 -8.394 -3.588 555 H ARG 72 H ARG 72 17.145 -12.567 -3.850 556 HA ARG 72 HA ARG 72 17.326 -15.304 -4.481 557 HB2 ARG 72 2HB ARG 72 14.918 -15.790 -4.830 558 HB3 ARG 72 1HB ARG 72 15.340 -15.579 -3.135 559 HG2 ARG 72 2HG ARG 72 13.521 -14.269 -3.109 560 HG3 ARG 72 1HG ARG 72 14.619 -13.059 -3.775 561 HD2 ARG 72 2HD ARG 72 13.644 -13.107 -5.804 562 HD3 ARG 72 1HD ARG 72 13.398 -14.852 -5.756 563 HE ARG 72 HE ARG 72 11.504 -12.839 -5.075 564 HH11 ARG 72 1HH1 ARG 72 12.533 -16.078 -4.281 565 HH12 ARG 72 2HH1 ARG 72 10.976 -16.564 -3.696 566 HH21 ARG 72 1HH2 ARG 72 9.457 -13.475 -4.306 567 HH22 ARG 72 2HH2 ARG 72 9.229 -15.086 -3.710 568 H LYS 73 H LYS 73 16.269 -15.767 -6.667 569 HA LYS 73 HA LYS 73 16.777 -13.460 -8.382 570 HB2 LYS 73 2HB LYS 73 16.269 -16.309 -9.239 571 HB3 LYS 73 1HB LYS 73 17.006 -15.021 -10.182 572 HG2 LYS 73 2HG LYS 73 18.378 -15.663 -7.665 573 HG3 LYS 73 1HG LYS 73 18.384 -16.942 -8.881 574 HD2 LYS 73 2HD LYS 73 18.990 -14.776 -10.400 575 HD3 LYS 73 1HD LYS 73 19.745 -14.335 -8.866 576 HE2 LYS 73 2HE LYS 73 20.246 -16.784 -10.542 577 HE3 LYS 73 1HE LYS 73 21.379 -15.495 -10.144 578 HZ1 LYS 73 3HZ LYS 73 20.971 -16.227 -7.737 579 HZ2 LYS 73 1HZ LYS 73 21.959 -17.197 -8.709 580 HZ3 LYS 73 2HZ LYS 73 20.357 -17.652 -8.412 581 H ASP 74 H ASP 74 15.338 -13.935 -10.600 582 HA ASP 74 HA ASP 74 12.564 -13.643 -9.664 583 HB2 ASP 74 2HB ASP 74 14.170 -12.264 -11.732 584 HB3 ASP 74 1HB ASP 74 12.497 -12.608 -12.165 585 H ASN 75 H ASN 75 13.961 -16.169 -10.307 586 HA ASN 75 HA ASN 75 13.374 -18.174 -11.202 587 HB2 ASN 75 2HB ASN 75 11.065 -16.749 -12.518 588 HB3 ASN 75 1HB ASN 75 11.222 -18.478 -12.232 589 HD21 ASN 75 1HD2 ASN 75 9.230 -16.429 -11.359 590 HD22 ASN 75 2HD2 ASN 75 9.135 -16.614 -9.644 591 H GLU 76 H GLU 76 14.418 -15.571 -12.901 592 HA GLU 76 HA GLU 76 14.502 -17.002 -15.459 593 HB2 GLU 76 2HB GLU 76 15.436 -14.194 -15.271 594 HB3 GLU 76 1HB GLU 76 14.541 -14.993 -16.557 595 HG2 GLU 76 2HG GLU 76 12.509 -14.886 -15.194 596 HG3 GLU 76 1HG GLU 76 13.416 -14.064 -13.925 597 H GLY 77 H GLY 77 16.410 -15.630 -12.919 598 HA2 GLY 77 2HA GLY 77 18.567 -16.809 -12.544 599 HA3 GLY 77 1HA GLY 77 18.854 -16.605 -14.266 600 H ASN 78 H ASN 78 17.431 -14.129 -12.229 601 HA ASN 78 HA ASN 78 19.938 -12.595 -12.415 602 HB2 ASN 78 2HB ASN 78 17.766 -11.975 -13.889 603 HB3 ASN 78 1HB ASN 78 17.385 -11.085 -12.419 604 HD21 ASN 78 1HD2 ASN 78 19.182 -11.146 -15.280 605 HD22 ASN 78 2HD2 ASN 78 20.130 -9.717 -15.002 606 H GLU 79 H GLU 79 20.696 -11.999 -10.502 607 HA GLU 79 HA GLU 79 19.405 -12.537 -8.077 608 HB2 GLU 79 2HB GLU 79 21.203 -11.111 -7.067 609 HB3 GLU 79 1HB GLU 79 21.793 -12.384 -8.125 610 HG2 GLU 79 2HG GLU 79 21.533 -10.296 -9.856 611 HG3 GLU 79 1HG GLU 79 22.009 -9.481 -8.366 612 H VAL 80 H VAL 80 17.886 -11.492 -6.982 613 HA VAL 80 HA VAL 80 17.653 -8.603 -7.151 614 HB VAL 80 HB VAL 80 15.284 -8.612 -7.726 615 HG11 VAL 80 1HG1 VAL 80 16.667 -10.231 -9.840 616 HG12 VAL 80 2HG1 VAL 80 17.153 -8.576 -9.477 617 HG13 VAL 80 3HG1 VAL 80 15.513 -8.911 -10.033 618 HG21 VAL 80 3HG2 VAL 80 14.384 -10.810 -8.721 619 HG22 VAL 80 1HG2 VAL 80 14.429 -10.641 -6.966 620 HG23 VAL 80 2HG2 VAL 80 15.669 -11.585 -7.792 621 H VAL 81 H VAL 81 15.382 -8.112 -5.847 622 HA VAL 81 HA VAL 81 15.834 -9.385 -3.245 623 HB VAL 81 HB VAL 81 14.252 -6.880 -3.821 624 HG11 VAL 81 1HG1 VAL 81 13.779 -8.109 -1.697 625 HG12 VAL 81 2HG1 VAL 81 14.380 -6.466 -1.472 626 HG13 VAL 81 3HG1 VAL 81 15.460 -7.841 -1.234 627 HG21 VAL 81 3HG2 VAL 81 17.140 -7.187 -3.010 628 HG22 VAL 81 1HG2 VAL 81 16.246 -5.667 -2.988 629 HG23 VAL 81 2HG2 VAL 81 16.528 -6.502 -4.516 630 HA PRO 82 HA PRO 82 12.146 -11.823 -3.483 631 HB2 PRO 82 2HB PRO 82 11.431 -11.536 -0.787 632 HB3 PRO 82 1HB PRO 82 12.435 -12.813 -1.477 633 HG2 PRO 82 2HG PRO 82 13.240 -10.315 -0.083 634 HG3 PRO 82 1HG PRO 82 14.004 -11.912 -0.064 635 HD2 PRO 82 2HD PRO 82 15.049 -9.886 -1.465 636 HD3 PRO 82 1HD PRO 82 15.093 -11.552 -2.080 637 H LYS 83 H LYS 83 10.050 -11.416 -3.924 638 HA LYS 83 HA LYS 83 9.109 -8.745 -3.949 639 HB2 LYS 83 2HB LYS 83 6.996 -9.720 -4.760 640 HB3 LYS 83 1HB LYS 83 8.391 -10.344 -5.630 641 HG2 LYS 83 2HG LYS 83 8.105 -12.167 -3.611 642 HG3 LYS 83 1HG LYS 83 6.433 -11.734 -3.974 643 HD2 LYS 83 2HD LYS 83 8.491 -12.665 -5.976 644 HD3 LYS 83 1HD LYS 83 7.179 -13.643 -5.314 645 HE2 LYS 83 2HE LYS 83 6.822 -11.111 -6.914 646 HE3 LYS 83 1HE LYS 83 6.672 -12.745 -7.558 647 HZ1 LYS 83 3HZ LYS 83 4.907 -11.336 -5.664 648 HZ2 LYS 83 1HZ LYS 83 4.939 -13.027 -5.702 649 HZ3 LYS 83 2HZ LYS 83 4.504 -12.158 -7.086 650 HA PRO 84 HA PRO 84 7.657 -8.766 0.307 651 HB2 PRO 84 2HB PRO 84 6.710 -6.236 0.326 652 HB3 PRO 84 1HB PRO 84 8.433 -6.613 0.454 653 HG2 PRO 84 2HG PRO 84 6.850 -5.785 -1.943 654 HG3 PRO 84 1HG PRO 84 8.438 -5.215 -1.404 655 HD2 PRO 84 2HD PRO 84 8.161 -7.039 -3.370 656 HD3 PRO 84 1HD PRO 84 9.529 -7.071 -2.239 657 H GLN 85 H GLN 85 5.514 -7.849 1.338 658 HA GLN 85 HA GLN 85 3.346 -9.152 -0.055 659 HB2 GLN 85 2HB GLN 85 3.216 -7.620 2.545 660 HB3 GLN 85 1HB GLN 85 2.074 -8.820 1.956 661 HG2 GLN 85 2HG GLN 85 3.669 -10.576 2.242 662 HG3 GLN 85 1HG GLN 85 4.942 -9.421 2.629 663 HE21 GLN 85 1HE2 GLN 85 5.263 -8.899 4.685 664 HE22 GLN 85 2HE2 GLN 85 4.209 -9.312 6.002 665 H ARG 86 H ARG 86 2.195 -8.134 -1.550 666 HA ARG 86 HA ARG 86 1.884 -5.217 -1.347 667 HB2 ARG 86 2HB ARG 86 1.365 -6.881 -3.802 668 HB3 ARG 86 1HB ARG 86 1.609 -5.143 -3.702 669 HG2 ARG 86 2HG ARG 86 3.956 -5.717 -2.850 670 HG3 ARG 86 1HG ARG 86 3.632 -7.339 -3.465 671 HD2 ARG 86 2HD ARG 86 2.879 -5.866 -5.591 672 HD3 ARG 86 1HD ARG 86 4.125 -4.816 -4.916 673 HE ARG 86 HE ARG 86 5.713 -6.334 -5.566 674 HH11 ARG 86 1HH1 ARG 86 2.569 -7.841 -5.727 675 HH12 ARG 86 2HH1 ARG 86 3.153 -9.263 -6.523 676 HH21 ARG 86 1HH2 ARG 86 6.483 -8.205 -6.613 677 HH22 ARG 86 2HH2 ARG 86 5.375 -9.470 -7.026 678 H HIS 87 H HIS 87 0.005 -4.530 -0.606 679 HA HIS 87 HA HIS 87 -2.353 -6.242 -0.787 680 HB2 HIS 87 2HB HIS 87 -2.118 -3.573 0.612 681 HB3 HIS 87 1HB HIS 87 -3.349 -4.809 0.857 682 HD1 HIS 87 1HD HIS 87 -2.048 -7.255 1.611 683 HD2 HIS 87 2HD HIS 87 -0.357 -3.602 2.645 684 HE1 HIS 87 1HE HIS 87 -0.511 -7.748 3.539 685 HE2 HIS 87 2HE HIS 87 0.567 -5.538 4.090 686 H MET 88 H MET 88 -3.670 -6.019 -2.466 687 HA MET 88 HA MET 88 -3.578 -3.616 -4.083 688 HB2 MET 88 2HB MET 88 -3.792 -6.182 -4.793 689 HB3 MET 88 1HB MET 88 -5.505 -5.799 -4.680 690 HG2 MET 88 2HG MET 88 -5.474 -4.480 -6.504 691 HG3 MET 88 1HG MET 88 -3.850 -3.879 -6.178 692 HE1 MET 88 3HE MET 88 -1.661 -5.171 -8.202 693 HE2 MET 88 1HE MET 88 -2.736 -3.806 -7.905 694 HE3 MET 88 2HE MET 88 -2.921 -4.771 -9.369 695 H PHE 89 H PHE 89 -4.748 -1.929 -3.464 696 HA PHE 89 HA PHE 89 -7.449 -2.405 -2.392 697 HB2 PHE 89 2HB PHE 89 -5.571 -0.069 -1.970 698 HB3 PHE 89 1HB PHE 89 -7.241 -0.108 -1.413 699 HD1 PHE 89 1HD PHE 89 -7.874 -2.131 0.105 700 HD2 PHE 89 2HD PHE 89 -3.893 -0.785 -0.564 701 HE1 PHE 89 1HE PHE 89 -7.156 -3.232 2.185 702 HE2 PHE 89 2HE PHE 89 -3.168 -1.885 1.514 703 HZ PHE 89 HZ PHE 89 -4.800 -3.110 2.891 704 H SER 90 H SER 90 -9.147 -1.660 -3.520 705 HA SER 90 HA SER 90 -8.570 -0.075 -5.925 706 HB2 SER 90 2HB SER 90 -11.235 -1.332 -5.593 707 HB3 SER 90 1HB SER 90 -10.212 -1.214 -7.024 708 HG SER 90 HG SER 90 -10.351 -3.360 -6.255 709 H PHE 91 H PHE 91 -9.300 1.932 -6.130 710 HA PHE 91 HA PHE 91 -11.167 2.939 -4.092 711 HB2 PHE 91 2HB PHE 91 -8.994 4.264 -5.696 712 HB3 PHE 91 1HB PHE 91 -10.265 5.212 -4.930 713 HD1 PHE 91 1HD PHE 91 -8.226 2.274 -3.864 714 HD2 PHE 91 2HD PHE 91 -9.492 6.251 -3.043 715 HE1 PHE 91 1HE PHE 91 -6.976 2.227 -1.747 716 HE2 PHE 91 2HE PHE 91 -8.246 6.216 -0.925 717 HZ PHE 91 HZ PHE 91 -6.987 4.203 -0.268 718 H ASN 92 H ASN 92 -13.091 3.796 -4.667 719 HA ASN 92 HA ASN 92 -13.816 3.635 -7.492 720 HB2 ASN 92 2HB ASN 92 -15.127 2.701 -5.329 721 HB3 ASN 92 1HB ASN 92 -15.880 4.287 -5.471 722 HD21 ASN 92 1HD2 ASN 92 -15.867 1.116 -6.556 723 HD22 ASN 92 2HD2 ASN 92 -16.929 1.302 -7.906 724 H ASN 93 H ASN 93 -13.166 5.955 -5.052 725 HA ASN 93 HA ASN 93 -14.222 8.081 -6.798 726 HB2 ASN 93 2HB ASN 93 -13.844 8.324 -3.813 727 HB3 ASN 93 1HB ASN 93 -14.700 9.428 -4.885 728 HD21 ASN 93 1HD2 ASN 93 -14.744 6.138 -3.613 729 HD22 ASN 93 2HD2 ASN 93 -16.469 5.954 -3.660 730 H ARG 94 H ARG 94 -12.999 10.000 -6.980 731 HA ARG 94 HA ARG 94 -10.153 9.551 -6.882 732 HB2 ARG 94 2HB ARG 94 -10.076 11.886 -7.860 733 HB3 ARG 94 1HB ARG 94 -10.931 10.682 -8.814 734 HG2 ARG 94 2HG ARG 94 -13.038 11.559 -8.216 735 HG3 ARG 94 1HG ARG 94 -12.339 12.558 -6.939 736 HD2 ARG 94 2HD ARG 94 -11.538 12.915 -9.806 737 HD3 ARG 94 1HD ARG 94 -12.994 13.677 -9.168 738 HE ARG 94 HE ARG 94 -10.274 14.440 -8.658 739 HH11 ARG 94 1HH1 ARG 94 -13.535 14.511 -7.416 740 HH12 ARG 94 2HH1 ARG 94 -13.262 15.908 -6.430 741 HH21 ARG 94 1HH2 ARG 94 -9.914 16.278 -7.361 742 HH22 ARG 94 2HH2 ARG 94 -11.207 16.911 -6.398 743 H THR 95 H THR 95 -12.521 11.497 -5.168 744 HA THR 95 HA THR 95 -10.747 13.151 -3.764 745 HB THR 95 HB THR 95 -13.565 12.521 -3.724 746 HG1 THR 95 1HG THR 95 -13.661 14.629 -3.751 747 HG21 THR 95 3HG2 THR 95 -13.401 11.799 -1.503 748 HG22 THR 95 1HG2 THR 95 -13.911 13.485 -1.421 749 HG23 THR 95 2HG2 THR 95 -12.230 13.056 -1.103 750 H VAL 96 H VAL 96 -12.333 10.124 -2.759 751 HA VAL 96 HA VAL 96 -11.119 9.919 -0.251 752 HB VAL 96 HB VAL 96 -13.040 8.537 -0.945 753 HG11 VAL 96 1HG1 VAL 96 -11.726 8.038 -3.221 754 HG12 VAL 96 2HG1 VAL 96 -13.003 6.992 -2.599 755 HG13 VAL 96 3HG1 VAL 96 -11.311 6.577 -2.325 756 HG21 VAL 96 3HG2 VAL 96 -10.778 6.709 -0.194 757 HG22 VAL 96 1HG2 VAL 96 -12.467 6.638 0.309 758 HG23 VAL 96 2HG2 VAL 96 -11.417 7.915 0.923 759 H MET 97 H MET 97 -9.940 9.149 -3.440 760 HA MET 97 HA MET 97 -7.742 7.548 -2.607 761 HB2 MET 97 2HB MET 97 -8.492 7.293 -4.856 762 HB3 MET 97 1HB MET 97 -8.358 9.017 -5.164 763 HG2 MET 97 2HG MET 97 -5.961 8.898 -5.081 764 HG3 MET 97 1HG MET 97 -6.026 7.202 -4.608 765 HE1 MET 97 3HE MET 97 -6.096 9.835 -6.996 766 HE2 MET 97 1HE MET 97 -6.596 9.208 -8.566 767 HE3 MET 97 2HE MET 97 -4.949 8.944 -7.996 768 H ASP 98 H ASP 98 -8.202 10.939 -3.286 769 HA ASP 98 HA ASP 98 -5.487 11.715 -3.108 770 HB2 ASP 98 2HB ASP 98 -8.113 13.110 -3.103 771 HB3 ASP 98 1HB ASP 98 -6.738 13.992 -2.445 772 H ASN 99 H ASN 99 -7.982 11.153 -0.740 773 HA ASN 99 HA ASN 99 -6.589 12.452 1.413 774 HB2 ASN 99 2HB ASN 99 -8.910 10.510 1.484 775 HB3 ASN 99 1HB ASN 99 -8.340 11.480 2.840 776 HD21 ASN 99 1HD2 ASN 99 -10.945 11.587 1.974 777 HD22 ASN 99 2HD2 ASN 99 -11.253 13.145 1.274 778 H ILE 100 H ILE 100 -7.326 9.052 0.629 779 HA ILE 100 HA ILE 100 -5.839 7.890 2.688 780 HB ILE 100 HB ILE 100 -6.437 6.782 -0.060 781 HG12 ILE 100 2HG1 ILE 100 -8.404 7.441 1.354 782 HG13 ILE 100 1HG1 ILE 100 -8.344 5.727 0.953 783 HG21 ILE 100 1HG2 ILE 100 -5.021 5.659 2.262 784 HG22 ILE 100 2HG2 ILE 100 -4.924 5.231 0.554 785 HG23 ILE 100 3HG2 ILE 100 -6.248 4.616 1.544 786 HD11 ILE 100 3HD1 ILE 100 -8.962 5.820 3.202 787 HD12 ILE 100 1HD1 ILE 100 -7.754 7.050 3.574 788 HD13 ILE 100 2HD1 ILE 100 -7.250 5.399 3.216 789 H LYS 101 H LYS 101 -4.897 8.533 -0.685 790 HA LYS 101 HA LYS 101 -2.297 7.526 -0.526 791 HB2 LYS 101 2HB LYS 101 -3.563 8.175 -2.611 792 HB3 LYS 101 1HB LYS 101 -3.166 9.848 -2.247 793 HG2 LYS 101 2HG LYS 101 -0.736 9.118 -2.255 794 HG3 LYS 101 1HG LYS 101 -1.304 7.610 -2.974 795 HD2 LYS 101 2HD LYS 101 -0.618 9.083 -4.741 796 HD3 LYS 101 1HD LYS 101 -2.377 8.948 -4.778 797 HE2 LYS 101 2HE LYS 101 -1.517 11.269 -5.087 798 HE3 LYS 101 1HE LYS 101 -2.633 11.082 -3.734 799 HZ1 LYS 101 3HZ LYS 101 -0.828 11.117 -2.206 800 HZ2 LYS 101 1HZ LYS 101 -0.636 12.443 -3.239 801 HZ3 LYS 101 2HZ LYS 101 0.320 11.063 -3.447 802 H MET 102 H MET 102 -3.526 10.791 0.109 803 HA MET 102 HA MET 102 -0.905 11.823 0.689 804 HB2 MET 102 2HB MET 102 -3.677 12.967 0.942 805 HB3 MET 102 1HB MET 102 -2.252 13.838 1.487 806 HG2 MET 102 2HG MET 102 -1.393 13.362 -0.930 807 HG3 MET 102 1HG MET 102 -3.107 13.146 -1.279 808 HE1 MET 102 3HE MET 102 -4.902 15.960 -0.570 809 HE2 MET 102 1HE MET 102 -4.643 14.533 -1.574 810 HE3 MET 102 2HE MET 102 -4.306 16.140 -2.220 811 H THR 103 H THR 103 -3.441 10.331 2.488 812 HA THR 103 HA THR 103 -2.478 11.293 5.042 813 HB THR 103 HB THR 103 -4.606 9.258 4.354 814 HG1 THR 103 1HG THR 103 -4.984 11.523 3.842 815 HG21 THR 103 3HG2 THR 103 -4.992 10.392 6.919 816 HG22 THR 103 1HG2 THR 103 -3.366 9.713 6.854 817 HG23 THR 103 2HG2 THR 103 -4.761 8.699 6.481 818 H LEU 104 H LEU 104 -2.431 8.265 3.206 819 HA LEU 104 HA LEU 104 -1.241 6.687 5.201 820 HB2 LEU 104 2HB LEU 104 -1.670 6.493 2.297 821 HB3 LEU 104 1HB LEU 104 -0.275 5.606 2.883 822 HG LEU 104 HG LEU 104 -1.646 4.295 4.366 823 HD11 LEU 104 1HD1 LEU 104 -3.657 6.370 3.749 824 HD12 LEU 104 2HD1 LEU 104 -3.348 5.496 5.249 825 HD13 LEU 104 3HD1 LEU 104 -4.248 4.720 3.945 826 HD21 LEU 104 3HD2 LEU 104 -3.044 4.449 1.702 827 HD22 LEU 104 1HD2 LEU 104 -2.937 3.056 2.780 828 HD23 LEU 104 2HD2 LEU 104 -1.492 3.652 1.961 829 H GLN 105 H GLN 105 0.264 8.300 2.399 830 HA GLN 105 HA GLN 105 2.921 7.800 3.034 831 HB2 GLN 105 2HB GLN 105 3.478 9.703 1.623 832 HB3 GLN 105 1HB GLN 105 2.177 8.772 0.894 833 HG2 GLN 105 2HG GLN 105 0.577 10.433 1.895 834 HG3 GLN 105 1HG GLN 105 1.982 11.411 2.315 835 HE21 GLN 105 1HE2 GLN 105 0.988 9.538 -0.531 836 HE22 GLN 105 2HE2 GLN 105 1.217 10.828 -1.670 837 H GLN 106 H GLN 106 0.670 10.046 4.424 838 HA GLN 106 HA GLN 106 2.500 11.792 5.663 839 HB2 GLN 106 2HB GLN 106 -0.350 11.310 5.741 840 HB3 GLN 106 1HB GLN 106 0.269 11.609 7.359 841 HG2 GLN 106 2HG GLN 106 0.445 13.402 4.956 842 HG3 GLN 106 1HG GLN 106 -0.424 13.687 6.462 843 HE21 GLN 106 1HE2 GLN 106 2.610 13.800 4.839 844 HE22 GLN 106 2HE2 GLN 106 3.505 14.577 6.107 845 H ILE 107 H ILE 107 1.175 8.701 6.542 846 HA ILE 107 HA ILE 107 2.330 8.670 9.183 847 HB ILE 107 HB ILE 107 1.065 6.494 7.509 848 HG12 ILE 107 2HG1 ILE 107 -0.349 6.988 9.909 849 HG13 ILE 107 1HG1 ILE 107 0.022 8.562 9.213 850 HG21 ILE 107 1HG2 ILE 107 2.041 6.362 10.358 851 HG22 ILE 107 2HG2 ILE 107 2.695 5.483 8.977 852 HG23 ILE 107 3HG2 ILE 107 1.067 5.127 9.557 853 HD11 ILE 107 3HD1 ILE 107 -1.707 6.389 8.182 854 HD12 ILE 107 1HD1 ILE 107 -0.868 7.413 7.018 855 HD13 ILE 107 2HD1 ILE 107 -1.963 8.133 8.197 856 H ILE 108 H ILE 108 3.089 7.505 5.989 857 HA ILE 108 HA ILE 108 5.205 5.767 6.497 858 HB ILE 108 HB ILE 108 5.005 7.680 4.169 859 HG12 ILE 108 2HG1 ILE 108 2.897 6.505 4.451 860 HG13 ILE 108 1HG1 ILE 108 3.740 5.922 3.024 861 HG21 ILE 108 1HG2 ILE 108 6.201 5.980 2.934 862 HG22 ILE 108 2HG2 ILE 108 6.278 4.962 4.374 863 HG23 ILE 108 3HG2 ILE 108 7.132 6.505 4.337 864 HD11 ILE 108 3HD1 ILE 108 2.834 4.039 4.097 865 HD12 ILE 108 1HD1 ILE 108 3.428 4.558 5.673 866 HD13 ILE 108 2HD1 ILE 108 4.565 4.017 4.438 867 H SER 109 H SER 109 5.308 9.214 5.682 868 HA SER 109 HA SER 109 8.020 9.657 5.875 869 HB2 SER 109 2HB SER 109 5.844 11.582 6.713 870 HB3 SER 109 1HB SER 109 7.490 12.011 6.250 871 HG SER 109 HG SER 109 5.705 12.124 4.604 872 H ARG 110 H ARG 110 5.765 9.117 8.434 873 HA ARG 110 HA ARG 110 7.073 10.313 10.585 874 HB2 ARG 110 2HB ARG 110 5.556 7.700 10.656 875 HB3 ARG 110 1HB ARG 110 5.857 8.776 12.013 876 HG2 ARG 110 2HG ARG 110 4.504 10.510 10.895 877 HG3 ARG 110 1HG ARG 110 4.141 9.358 9.610 878 HD2 ARG 110 2HD ARG 110 2.316 9.408 11.188 879 HD3 ARG 110 1HD ARG 110 3.133 7.851 11.287 880 HE ARG 110 HE ARG 110 3.055 9.921 13.317 881 HH11 ARG 110 1HH1 ARG 110 4.523 6.944 12.227 882 HH12 ARG 110 2HH1 ARG 110 5.115 6.520 13.797 883 HH21 ARG 110 1HH2 ARG 110 3.837 9.361 15.377 884 HH22 ARG 110 2HH2 ARG 110 4.727 7.889 15.584 885 H TYR 111 H TYR 111 7.799 7.401 8.830 886 HA TYR 111 HA TYR 111 9.751 6.535 10.813 887 HB2 TYR 111 2HB TYR 111 9.410 5.187 8.163 888 HB3 TYR 111 1HB TYR 111 9.797 4.486 9.730 889 HD1 TYR 111 1HD TYR 111 7.833 4.816 11.535 890 HD2 TYR 111 2HD TYR 111 7.313 4.758 7.312 891 HE1 TYR 111 1HE TYR 111 5.472 4.193 11.840 892 HE2 TYR 111 2HE TYR 111 4.951 4.136 7.605 893 HH TYR 111 HH TYR 111 3.690 3.045 10.523 894 H LYS 112 H LYS 112 9.589 8.071 7.688 895 HA LYS 112 HA LYS 112 12.320 7.722 6.981 896 HB2 LYS 112 2HB LYS 112 10.553 9.979 6.053 897 HB3 LYS 112 1HB LYS 112 11.904 9.242 5.205 898 HG2 LYS 112 2HG LYS 112 9.218 8.001 5.749 899 HG3 LYS 112 1HG LYS 112 9.852 8.534 4.191 900 HD2 LYS 112 2HD LYS 112 11.562 6.832 4.256 901 HD3 LYS 112 1HD LYS 112 11.078 6.359 5.886 902 HE2 LYS 112 2HE LYS 112 9.044 6.300 3.711 903 HE3 LYS 112 1HE LYS 112 10.257 5.022 3.769 904 HZ1 LYS 112 3HZ LYS 112 8.566 5.760 6.091 905 HZ2 LYS 112 1HZ LYS 112 9.549 4.392 5.921 906 HZ3 LYS 112 2HZ LYS 112 8.146 4.547 4.988 907 H ASP 113 H ASP 113 10.599 10.679 7.998 908 HA ASP 113 HA ASP 113 12.905 12.197 8.470 909 HB2 ASP 113 2HB ASP 113 10.033 12.416 9.214 910 HB3 ASP 113 1HB ASP 113 11.177 13.408 10.115 911 H ALA 114 H ALA 114 11.176 9.923 10.481 912 HA ALA 114 HA ALA 114 12.462 10.656 12.928 913 HB1 ALA 114 1HB ALA 114 10.918 8.190 12.141 914 HB2 ALA 114 2HB ALA 114 10.317 9.590 13.029 915 HB3 ALA 114 3HB ALA 114 11.505 8.519 13.771 916 H ASP 115 H ASP 115 12.727 7.704 10.932 917 HA ASP 115 HA ASP 115 15.010 6.707 12.219 918 HB2 ASP 115 2HB ASP 115 13.349 5.576 10.540 919 HB3 ASP 115 1HB ASP 115 14.486 6.144 9.322 920 H TYR 90 1HT TYR 90 -1.171 -1.664 -21.794 921 HA TYR 90 HA TYR 90 0.233 -2.976 -20.487 922 HB2 TYR 90 2HB TYR 90 0.788 -0.453 -21.419 923 HB3 TYR 90 1HB TYR 90 1.345 -0.353 -19.752 924 HD1 TYR 90 2HD TYR 90 1.641 -2.470 -22.806 925 HD2 TYR 90 1HD TYR 90 3.461 -1.149 -19.194 926 HE1 TYR 90 2HE TYR 90 3.722 -3.615 -23.442 927 HE2 TYR 90 1HE TYR 90 5.547 -2.290 -19.820 928 HH TYR 90 HH TYR 90 6.079 -3.552 -22.964 929 H ASP 91 H ASP 91 -0.358 -3.987 -18.634 930 HA ASP 91 HA ASP 91 -1.272 -2.758 -16.291 931 HB2 ASP 91 2HB ASP 91 -0.188 -5.451 -16.977 932 HB3 ASP 91 1HB ASP 91 -0.314 -5.020 -15.274 933 H SER 92 H SER 92 1.982 -3.674 -17.316 934 HA SER 92 HA SER 92 3.315 -3.180 -14.902 935 HB2 SER 92 2HB SER 92 5.231 -2.578 -16.710 936 HB3 SER 92 1HB SER 92 4.753 -4.232 -16.324 937 HG SER 92 HG SER 92 4.175 -4.405 -18.324 938 H GLU 93 H GLU 93 2.236 -1.027 -17.438 939 HA GLU 93 HA GLU 93 3.453 1.245 -16.022 940 HB2 GLU 93 2HB GLU 93 2.805 0.712 -18.870 941 HB3 GLU 93 1HB GLU 93 2.605 2.365 -18.308 942 HG2 GLU 93 2HG GLU 93 4.761 2.445 -19.018 943 HG3 GLU 93 1HG GLU 93 5.014 1.981 -17.335 944 H GLU 94 H GLU 94 0.990 -0.144 -15.221 945 HA GLU 94 HA GLU 94 -0.900 2.099 -15.508 946 HB2 GLU 94 2HB GLU 94 -1.583 -0.082 -16.597 947 HB3 GLU 94 1HB GLU 94 -1.661 -0.772 -14.981 948 HG2 GLU 94 2HG GLU 94 -3.795 -0.145 -15.015 949 HG3 GLU 94 1HG GLU 94 -3.178 1.478 -14.708 950 H PHE 95 H PHE 95 1.234 1.566 -13.485 951 HA PHE 95 HA PHE 95 -0.247 2.325 -11.185 952 HB2 PHE 95 2HB PHE 95 -0.174 -0.412 -11.554 953 HB3 PHE 95 1HB PHE 95 1.164 -0.129 -10.444 954 HD1 PHE 95 2HD PHE 95 0.297 1.951 -8.706 955 HD2 PHE 95 1HD PHE 95 -1.981 -1.219 -10.403 956 HE1 PHE 95 2HE PHE 95 -1.290 2.093 -6.831 957 HE2 PHE 95 1HE PHE 95 -3.573 -1.082 -8.532 958 HZ PHE 95 HZ PHE 95 -3.228 0.575 -6.742 959 H GLU 96 H GLU 96 1.032 3.437 -9.813 960 HA GLU 96 HA GLU 96 3.938 3.045 -9.983 961 HB2 GLU 96 2HB GLU 96 4.217 5.531 -9.875 962 HB3 GLU 96 1HB GLU 96 3.524 4.946 -11.382 963 HG2 GLU 96 2HG GLU 96 1.328 5.630 -10.704 964 HG3 GLU 96 1HG GLU 96 1.915 6.064 -9.099 965 H ASP 97 H ASP 97 5.100 4.111 -8.155 966 HA ASP 97 HA ASP 97 3.585 3.685 -5.691 967 HB2 ASP 97 2HB ASP 97 5.785 3.603 -4.592 968 HB3 ASP 97 1HB ASP 97 5.693 2.461 -5.929 969 H VAL 98 H VAL 98 3.989 5.148 -3.851 970 HA VAL 98 HA VAL 98 4.703 7.884 -4.602 971 HB VAL 98 HB VAL 98 2.269 7.748 -4.889 972 HG11 VAL 98 1HG1 VAL 98 2.065 5.916 -3.100 973 HG12 VAL 98 2HG1 VAL 98 0.775 7.111 -3.217 974 HG13 VAL 98 3HG1 VAL 98 1.991 7.248 -1.946 975 HG21 VAL 98 3HG2 VAL 98 2.708 9.314 -2.377 976 HG22 VAL 98 1HG2 VAL 98 1.773 9.739 -3.811 977 HG23 VAL 98 2HG2 VAL 98 3.535 9.766 -3.868 978 H THR 99 H THR 99 6.215 8.488 -3.207 979 HA THR 99 HA THR 99 5.784 8.072 -0.354 980 HB THR 99 HB THR 99 8.541 7.507 -1.309 981 HG1 THR 99 1HG THR 99 7.564 6.127 -2.669 982 HG21 THR 99 3HG2 THR 99 6.819 6.719 0.973 983 HG22 THR 99 1HG2 THR 99 8.498 7.261 0.949 984 HG23 THR 99 2HG2 THR 99 8.095 5.615 0.458 985 H ASP 100 H ASP 100 7.814 9.134 0.829 986 HA ASP 100 HA ASP 100 8.502 11.631 -0.560 987 HB2 ASP 100 2HB ASP 100 7.048 11.288 2.011 988 HB3 ASP 100 1HB ASP 100 8.251 12.573 1.937 989 H GLY 101 H GLY 101 10.206 12.873 0.793 990 HA2 GLY 101 2HA GLY 101 11.882 11.883 2.665 991 HA3 GLY 101 1HA GLY 101 12.398 11.034 1.216 992 H ASN 102 H ASN 102 13.721 12.040 -0.195 993 HA ASN 102 HA ASN 102 15.150 13.593 -1.041 994 HB2 ASN 102 2HB ASN 102 12.734 14.760 -1.158 995 HB3 ASN 102 1HB ASN 102 13.533 15.886 -0.065 996 HD21 ASN 102 1HD2 ASN 102 13.044 14.997 -3.260 997 HD22 ASN 102 2HD2 ASN 102 14.245 16.000 -3.992 998 H GLU 103 H GLU 103 15.547 12.677 1.645 999 HA GLU 103 HA GLU 103 17.301 14.803 2.562 1000 HB2 GLU 103 2HB GLU 103 14.869 14.749 3.706 1001 HB3 GLU 103 1HB GLU 103 15.686 13.567 4.721 1002 HG2 GLU 103 2HG GLU 103 17.158 16.069 4.252 1003 HG3 GLU 103 1HG GLU 103 15.672 16.217 5.188 1004 H VAL 104 H VAL 104 15.981 11.690 3.708 1005 HA VAL 104 HA VAL 104 18.688 10.576 3.651 1006 HB VAL 104 HB VAL 104 16.919 10.161 6.054 1007 HG11 VAL 104 1HG1 VAL 104 19.165 8.826 5.148 1008 HG12 VAL 104 2HG1 VAL 104 18.507 8.777 6.784 1009 HG13 VAL 104 3HG1 VAL 104 19.792 9.917 6.384 1010 HG21 VAL 104 3HG2 VAL 104 17.490 12.550 5.878 1011 HG22 VAL 104 1HG2 VAL 104 19.200 12.121 5.807 1012 HG23 VAL 104 2HG2 VAL 104 18.265 11.778 7.263 Start of MODEL 16 1 H2 PRO 1 1HT PRO 1 -12.307 13.351 7.650 2 H3 PRO 1 2HT PRO 1 -12.764 12.069 8.577 3 HA PRO 1 HA PRO 1 -12.850 10.714 6.997 4 HB2 PRO 1 2HB PRO 1 -13.565 12.143 4.649 5 HB3 PRO 1 1HB PRO 1 -14.568 11.026 5.583 6 HG2 PRO 1 2HG PRO 1 -14.422 13.989 5.704 7 HG3 PRO 1 1HG PRO 1 -15.800 12.914 6.003 8 HD2 PRO 1 2HD PRO 1 -14.558 14.124 8.028 9 HD3 PRO 1 1HD PRO 1 -15.121 12.448 8.188 10 H SER 2 H SER 2 -10.608 12.244 7.736 11 HA SER 2 HA SER 2 -9.202 12.716 5.201 12 HB2 SER 2 2HB SER 2 -8.051 13.374 7.896 13 HB3 SER 2 1HB SER 2 -7.740 14.138 6.336 14 HG SER 2 HG SER 2 -10.139 14.311 7.848 15 H HIS 3 H HIS 3 -8.795 11.085 8.334 16 HA HIS 3 HA HIS 3 -6.622 9.485 7.199 17 HB2 HIS 3 2HB HIS 3 -7.496 10.178 9.966 18 HB3 HIS 3 1HB HIS 3 -6.652 8.652 9.725 19 HD1 HIS 3 1HD HIS 3 -6.040 12.209 8.487 20 HD2 HIS 3 2HD HIS 3 -4.036 9.021 10.242 21 HE1 HIS 3 1HE HIS 3 -3.660 12.976 8.753 22 HE2 HIS 3 2HE HIS 3 -2.487 11.062 9.898 23 H SER 4 H SER 4 -9.234 8.994 6.250 24 HA SER 4 HA SER 4 -9.367 6.208 6.454 25 HB2 SER 4 2HB SER 4 -11.176 5.760 7.879 26 HB3 SER 4 1HB SER 4 -10.250 6.969 8.767 27 HG SER 4 HG SER 4 -11.727 8.531 7.722 28 H GLY 5 H GLY 5 -10.415 5.457 4.706 29 HA2 GLY 5 2HA GLY 5 -12.639 6.990 3.583 30 HA3 GLY 5 1HA GLY 5 -11.229 6.749 2.557 31 H ALA 6 H ALA 6 -13.849 5.792 1.968 32 HA ALA 6 HA ALA 6 -14.059 3.035 2.657 33 HB1 ALA 6 1HB ALA 6 -15.694 3.081 0.635 34 HB2 ALA 6 2HB ALA 6 -15.456 4.827 0.718 35 HB3 ALA 6 3HB ALA 6 -16.099 3.956 2.112 36 H ALA 7 H ALA 7 -12.565 1.628 2.050 37 HA ALA 7 HA ALA 7 -11.560 1.752 -0.723 38 HB1 ALA 7 1HB ALA 7 -9.468 0.942 -0.006 39 HB2 ALA 7 2HB ALA 7 -10.100 0.478 1.573 40 HB3 ALA 7 3HB ALA 7 -9.910 2.185 1.167 41 H ILE 8 H ILE 8 -11.258 -0.196 -1.853 42 HA ILE 8 HA ILE 8 -12.972 -2.384 -0.911 43 HB ILE 8 HB ILE 8 -11.807 -2.175 -3.673 44 HG12 ILE 8 2HG1 ILE 8 -12.917 -0.116 -3.606 45 HG13 ILE 8 1HG1 ILE 8 -14.132 -1.203 -4.261 46 HG21 ILE 8 1HG2 ILE 8 -13.508 -3.657 -4.312 47 HG22 ILE 8 2HG2 ILE 8 -14.419 -3.381 -2.828 48 HG23 ILE 8 3HG2 ILE 8 -12.902 -4.280 -2.777 49 HD11 ILE 8 3HD1 ILE 8 -15.455 -1.046 -2.431 50 HD12 ILE 8 1HD1 ILE 8 -14.680 0.535 -2.362 51 HD13 ILE 8 2HD1 ILE 8 -14.108 -0.773 -1.329 52 H PHE 9 H PHE 9 -12.246 -4.520 -0.816 53 HA PHE 9 HA PHE 9 -9.407 -4.998 -1.357 54 HB2 PHE 9 2HB PHE 9 -9.666 -4.380 1.054 55 HB3 PHE 9 1HB PHE 9 -10.720 -5.777 1.253 56 HD1 PHE 9 2HD PHE 9 -7.436 -5.208 -0.433 57 HD2 PHE 9 1HD PHE 9 -9.676 -7.459 2.400 58 HE1 PHE 9 2HE PHE 9 -5.468 -6.623 -0.008 59 HE2 PHE 9 1HE PHE 9 -7.713 -8.877 2.831 60 HZ PHE 9 HZ PHE 9 -5.605 -8.461 1.627 61 H GLU 10 H GLU 10 -9.333 -6.671 -2.692 62 HA GLU 10 HA GLU 10 -9.660 -8.735 -3.585 63 HB2 GLU 10 2HB GLU 10 -10.389 -9.063 -0.802 64 HB3 GLU 10 1HB GLU 10 -11.359 -10.107 -1.831 65 HG2 GLU 10 2HG GLU 10 -8.447 -10.042 -2.342 66 HG3 GLU 10 1HG GLU 10 -8.993 -10.825 -0.859 67 H LYS 11 H LYS 11 -11.445 -6.532 -4.116 68 HA LYS 11 HA LYS 11 -13.189 -6.255 -5.575 69 HB2 LYS 11 2HB LYS 11 -14.115 -9.071 -5.059 70 HB3 LYS 11 1HB LYS 11 -14.438 -8.053 -6.455 71 HG2 LYS 11 2HG LYS 11 -12.597 -8.730 -7.501 72 HG3 LYS 11 1HG LYS 11 -11.598 -8.504 -6.065 73 HD2 LYS 11 2HD LYS 11 -11.422 -10.748 -6.134 74 HD3 LYS 11 1HD LYS 11 -13.007 -10.706 -5.359 75 HE2 LYS 11 2HE LYS 11 -14.110 -11.317 -7.267 76 HE3 LYS 11 1HE LYS 11 -12.899 -10.594 -8.327 77 HZ1 LYS 11 3HZ LYS 11 -11.564 -12.436 -8.208 78 HZ2 LYS 11 1HZ LYS 11 -13.089 -13.163 -8.113 79 HZ3 LYS 11 2HZ LYS 11 -12.171 -12.938 -6.711 80 H VAL 12 H VAL 12 -13.359 -6.997 -2.332 81 HA VAL 12 HA VAL 12 -16.232 -6.437 -2.206 82 HB VAL 12 HB VAL 12 -15.406 -8.440 -0.990 83 HG11 VAL 12 1HG1 VAL 12 -14.405 -7.491 1.369 84 HG12 VAL 12 2HG1 VAL 12 -13.577 -6.506 0.169 85 HG13 VAL 12 3HG1 VAL 12 -13.474 -8.261 0.088 86 HG21 VAL 12 3HG2 VAL 12 -17.069 -8.212 0.493 87 HG22 VAL 12 1HG2 VAL 12 -17.304 -6.631 -0.252 88 HG23 VAL 12 2HG2 VAL 12 -16.347 -6.777 1.224 89 H SER 13 H SER 13 -16.970 -4.556 -1.437 90 HA SER 13 HA SER 13 -15.103 -2.455 -0.986 91 HB2 SER 13 2HB SER 13 -17.140 -1.071 -0.550 92 HB3 SER 13 1HB SER 13 -17.181 -1.927 -2.092 93 HG SER 13 HG SER 13 -18.614 -3.380 -1.244 94 H GLY 14 H GLY 14 -15.082 -1.065 0.903 95 HA2 GLY 14 2HA GLY 14 -16.168 -1.949 3.386 96 HA3 GLY 14 1HA GLY 14 -14.465 -2.364 3.247 97 H ILE 15 H ILE 15 -13.925 -0.981 4.959 98 HA ILE 15 HA ILE 15 -13.849 1.850 4.175 99 HB ILE 15 HB ILE 15 -14.220 1.063 7.045 100 HG12 ILE 15 2HG1 ILE 15 -16.119 0.168 5.677 101 HG13 ILE 15 1HG1 ILE 15 -16.597 1.365 6.875 102 HG21 ILE 15 1HG2 ILE 15 -13.499 3.254 6.945 103 HG22 ILE 15 2HG2 ILE 15 -15.256 3.442 6.974 104 HG23 ILE 15 3HG2 ILE 15 -14.382 3.582 5.447 105 HD11 ILE 15 3HD1 ILE 15 -17.588 1.454 4.494 106 HD12 ILE 15 1HD1 ILE 15 -16.046 2.196 4.064 107 HD13 ILE 15 2HD1 ILE 15 -17.080 2.952 5.278 108 H ILE 16 H ILE 16 -11.830 2.517 4.092 109 HA ILE 16 HA ILE 16 -9.787 1.060 5.587 110 HB ILE 16 HB ILE 16 -9.853 2.475 3.046 111 HG12 ILE 16 2HG1 ILE 16 -7.882 0.580 4.331 112 HG13 ILE 16 1HG1 ILE 16 -9.232 0.132 3.297 113 HG21 ILE 16 1HG2 ILE 16 -8.673 4.227 4.292 114 HG22 ILE 16 2HG2 ILE 16 -7.657 3.454 3.077 115 HG23 ILE 16 3HG2 ILE 16 -7.461 3.040 4.782 116 HD11 ILE 16 3HD1 ILE 16 -7.609 2.009 1.907 117 HD12 ILE 16 1HD1 ILE 16 -7.950 0.325 1.509 118 HD13 ILE 16 2HD1 ILE 16 -6.585 0.726 2.550 119 H ALA 17 H ALA 17 -9.063 1.845 7.437 120 HA ALA 17 HA ALA 17 -9.078 4.747 7.857 121 HB1 ALA 17 1HB ALA 17 -10.088 2.884 9.986 122 HB2 ALA 17 2HB ALA 17 -11.163 3.621 8.790 123 HB3 ALA 17 3HB ALA 17 -10.235 4.641 9.896 124 H ILE 18 H ILE 18 -7.362 5.519 8.944 125 HA ILE 18 HA ILE 18 -5.260 3.636 9.630 126 HB ILE 18 HB ILE 18 -5.180 6.654 9.656 127 HG12 ILE 18 2HG1 ILE 18 -3.746 6.027 7.498 128 HG13 ILE 18 1HG1 ILE 18 -4.829 4.639 7.490 129 HG21 ILE 18 1HG2 ILE 18 -3.017 6.542 10.232 130 HG22 ILE 18 2HG2 ILE 18 -2.716 5.134 9.214 131 HG23 ILE 18 3HG2 ILE 18 -3.422 4.928 10.816 132 HD11 ILE 18 3HD1 ILE 18 -6.703 5.949 7.124 133 HD12 ILE 18 1HD1 ILE 18 -5.465 6.724 6.135 134 HD13 ILE 18 2HD1 ILE 18 -5.909 7.416 7.695 135 H ASN 19 H ASN 19 -4.787 3.011 11.617 136 HA ASN 19 HA ASN 19 -6.143 4.257 13.879 137 HB2 ASN 19 2HB ASN 19 -5.749 1.653 13.301 138 HB3 ASN 19 1HB ASN 19 -4.332 1.948 14.305 139 HD21 ASN 19 1HD2 ASN 19 -4.728 2.927 16.426 140 HD22 ASN 19 2HD2 ASN 19 -6.172 2.498 17.273 141 H GLU 20 H GLU 20 -5.026 6.154 14.219 142 HA GLU 20 HA GLU 20 -2.142 6.011 14.653 143 HB2 GLU 20 2HB GLU 20 -4.069 8.325 14.449 144 HB3 GLU 20 1HB GLU 20 -2.382 8.526 14.903 145 HG2 GLU 20 2HG GLU 20 -1.726 7.489 12.756 146 HG3 GLU 20 1HG GLU 20 -3.429 7.433 12.303 147 H ASP 21 H ASP 21 -4.160 4.844 16.507 148 HA ASP 21 HA ASP 21 -3.696 6.480 18.896 149 HB2 ASP 21 2HB ASP 21 -6.011 5.374 18.066 150 HB3 ASP 21 1HB ASP 21 -5.397 4.058 19.063 151 H VAL 22 H VAL 22 -2.432 3.836 17.269 152 HA VAL 22 HA VAL 22 -1.478 2.556 19.742 153 HB VAL 22 HB VAL 22 -0.793 0.680 18.362 154 HG11 VAL 22 1HG1 VAL 22 -3.321 1.271 19.011 155 HG12 VAL 22 2HG1 VAL 22 -2.865 -0.209 18.168 156 HG13 VAL 22 3HG1 VAL 22 -3.492 1.166 17.259 157 HG21 VAL 22 3HG2 VAL 22 -1.591 2.472 16.087 158 HG22 VAL 22 1HG2 VAL 22 -1.508 0.719 15.907 159 HG23 VAL 22 2HG2 VAL 22 -0.063 1.631 16.348 160 H SER 23 H SER 23 0.877 1.489 19.123 161 HA SER 23 HA SER 23 2.639 3.706 19.152 162 HB2 SER 23 2HB SER 23 4.158 1.410 18.517 163 HB3 SER 23 1HB SER 23 3.937 2.147 20.103 164 HG SER 23 HG SER 23 2.195 0.798 20.465 165 HA PRO 24 HA PRO 24 3.715 2.770 14.668 166 HB2 PRO 24 2HB PRO 24 3.367 0.413 13.539 167 HB3 PRO 24 1HB PRO 24 4.607 0.605 14.785 168 HG2 PRO 24 2HG PRO 24 1.893 -0.626 14.986 169 HG3 PRO 24 1HG PRO 24 3.412 -1.133 15.745 170 HD2 PRO 24 2HD PRO 24 1.390 0.403 16.954 171 HD3 PRO 24 1HD PRO 24 3.045 0.188 17.552 172 H ALA 25 H ALA 25 2.237 4.109 13.733 173 HA ALA 25 HA ALA 25 -0.490 3.848 13.615 174 HB1 ALA 25 1HB ALA 25 -0.020 5.894 12.847 175 HB2 ALA 25 2HB ALA 25 0.001 5.124 11.260 176 HB3 ALA 25 3HB ALA 25 1.511 5.387 12.134 177 H GLU 26 H GLU 26 -1.718 2.292 12.848 178 HA GLU 26 HA GLU 26 -0.817 0.785 10.482 179 HB2 GLU 26 2HB GLU 26 -2.911 -0.133 12.439 180 HB3 GLU 26 1HB GLU 26 -1.997 -1.096 11.286 181 HG2 GLU 26 2HG GLU 26 0.061 -0.524 12.619 182 HG3 GLU 26 1HG GLU 26 -1.020 0.145 13.840 183 H LEU 27 H LEU 27 -2.603 -0.059 9.106 184 HA LEU 27 HA LEU 27 -4.794 1.891 8.876 185 HB2 LEU 27 2HB LEU 27 -3.231 2.102 7.028 186 HB3 LEU 27 1HB LEU 27 -3.326 0.382 6.713 187 HG LEU 27 HG LEU 27 -5.935 1.684 6.604 188 HD11 LEU 27 1HD1 LEU 27 -3.779 2.560 4.687 189 HD12 LEU 27 2HD1 LEU 27 -4.686 3.583 5.803 190 HD13 LEU 27 3HD1 LEU 27 -5.509 2.811 4.447 191 HD21 LEU 27 3HD2 LEU 27 -5.532 0.564 4.192 192 HD22 LEU 27 1HD2 LEU 27 -6.053 -0.339 5.614 193 HD23 LEU 27 2HD2 LEU 27 -4.350 -0.335 5.148 194 H THR 28 H THR 28 -6.601 0.939 9.607 195 HA THR 28 HA THR 28 -6.938 -1.943 9.205 196 HB THR 28 HB THR 28 -8.694 -0.211 10.921 197 HG1 THR 28 1HG THR 28 -6.866 0.213 11.918 198 HG21 THR 28 3HG2 THR 28 -7.836 -3.038 11.416 199 HG22 THR 28 1HG2 THR 28 -9.247 -2.643 10.436 200 HG23 THR 28 2HG2 THR 28 -9.184 -2.148 12.127 201 H TRP 29 H TRP 29 -8.042 -2.536 7.476 202 HA TRP 29 HA TRP 29 -10.079 -0.825 6.334 203 HB2 TRP 29 2HB TRP 29 -8.588 -1.838 4.749 204 HB3 TRP 29 1HB TRP 29 -8.826 -3.432 5.458 205 HD1 TRP 29 HD TRP 29 -10.834 -0.774 3.539 206 HE1 TRP 29 1HE TRP 29 -12.625 -1.975 2.111 207 HE3 TRP 29 3HE TRP 29 -10.033 -5.543 5.140 208 HZ2 TRP 29 2HZ TRP 29 -13.568 -4.629 1.741 209 HZ3 TRP 29 3HZ TRP 29 -11.420 -7.355 4.222 210 HH2 TRP 29 HH TRP 29 -13.143 -6.904 2.561 211 H ARG 30 H ARG 30 -12.033 -0.948 7.249 212 HA ARG 30 HA ARG 30 -12.994 -3.578 8.168 213 HB2 ARG 30 2HB ARG 30 -13.661 -0.769 9.021 214 HB3 ARG 30 1HB ARG 30 -14.735 -2.113 9.387 215 HG2 ARG 30 2HG ARG 30 -13.195 -3.118 10.808 216 HG3 ARG 30 1HG ARG 30 -11.839 -2.213 10.133 217 HD2 ARG 30 2HD ARG 30 -12.229 -0.407 11.431 218 HD3 ARG 30 1HD ARG 30 -13.980 -0.589 11.338 219 HE ARG 30 HE ARG 30 -12.861 -2.652 12.914 220 HH11 ARG 30 1HH1 ARG 30 -13.592 0.760 13.000 221 HH12 ARG 30 2HH1 ARG 30 -13.773 0.805 14.721 222 HH21 ARG 30 1HH2 ARG 30 -13.099 -2.594 15.179 223 HH22 ARG 30 2HH2 ARG 30 -13.493 -1.099 15.959 224 H SER 31 H SER 31 -14.341 -4.551 6.808 225 HA SER 31 HA SER 31 -15.389 -3.564 4.489 226 HB2 SER 31 2HB SER 31 -15.622 -5.854 4.636 227 HB3 SER 31 1HB SER 31 -16.201 -5.794 6.301 228 HG SER 31 HG SER 31 -17.863 -6.338 4.820 229 H THR 32 H THR 32 -17.720 -3.209 3.916 230 HA THR 32 HA THR 32 -18.749 -1.035 5.433 231 HB THR 32 HB THR 32 -20.663 -2.063 3.573 232 HG1 THR 32 1HG THR 32 -19.416 -2.129 1.727 233 HG21 THR 32 3HG2 THR 32 -20.341 0.010 2.413 234 HG22 THR 32 1HG2 THR 32 -18.834 0.301 3.280 235 HG23 THR 32 2HG2 THR 32 -20.369 0.312 4.150 236 H ASP 33 H ASP 33 -19.623 -4.361 4.886 237 HA ASP 33 HA ASP 33 -21.894 -4.181 6.660 238 HB2 ASP 33 2HB ASP 33 -20.823 -6.639 5.282 239 HB3 ASP 33 1HB ASP 33 -22.420 -6.433 5.995 240 H GLY 34 H GLY 34 -18.681 -5.536 6.592 241 HA2 GLY 34 2HA GLY 34 -17.449 -5.676 8.677 242 HA3 GLY 34 1HA GLY 34 -18.952 -6.128 9.468 243 H ASP 35 H ASP 35 -18.264 -7.522 6.390 244 HA ASP 35 HA ASP 35 -17.968 -10.126 7.664 245 HB2 ASP 35 2HB ASP 35 -19.500 -9.406 5.581 246 HB3 ASP 35 1HB ASP 35 -18.050 -9.892 4.707 247 H LYS 36 H LYS 36 -16.070 -7.741 6.106 248 HA LYS 36 HA LYS 36 -13.793 -9.597 6.094 249 HB2 LYS 36 2HB LYS 36 -14.380 -7.551 3.949 250 HB3 LYS 36 1HB LYS 36 -12.950 -8.573 4.029 251 HG2 LYS 36 2HG LYS 36 -15.173 -10.294 4.160 252 HG3 LYS 36 1HG LYS 36 -15.506 -9.126 2.879 253 HD2 LYS 36 2HD LYS 36 -13.746 -9.828 1.594 254 HD3 LYS 36 1HD LYS 36 -12.798 -10.353 2.986 255 HE2 LYS 36 2HE LYS 36 -13.654 -12.201 1.520 256 HE3 LYS 36 1HE LYS 36 -14.089 -12.334 3.224 257 HZ1 LYS 36 3HZ LYS 36 -15.914 -11.080 1.266 258 HZ2 LYS 36 1HZ LYS 36 -16.278 -11.725 2.788 259 HZ3 LYS 36 2HZ LYS 36 -15.897 -12.755 1.502 260 H VAL 37 H VAL 37 -11.864 -8.777 6.775 261 HA VAL 37 HA VAL 37 -11.666 -5.919 7.328 262 HB VAL 37 HB VAL 37 -12.431 -7.621 9.345 263 HG11 VAL 37 1HG1 VAL 37 -10.200 -8.683 9.349 264 HG12 VAL 37 2HG1 VAL 37 -10.589 -7.889 10.874 265 HG13 VAL 37 3HG1 VAL 37 -9.485 -7.118 9.736 266 HG21 VAL 37 3HG2 VAL 37 -11.873 -5.750 10.846 267 HG22 VAL 37 1HG2 VAL 37 -12.674 -5.225 9.365 268 HG23 VAL 37 2HG2 VAL 37 -10.931 -5.017 9.546 269 H HIS 38 H HIS 38 -9.479 -5.215 7.802 270 HA HIS 38 HA HIS 38 -7.294 -7.054 7.444 271 HB2 HIS 38 2HB HIS 38 -8.221 -6.451 5.100 272 HB3 HIS 38 1HB HIS 38 -7.488 -4.875 5.383 273 HD1 HIS 38 1HD HIS 38 -6.687 -8.365 4.470 274 HD2 HIS 38 2HD HIS 38 -4.638 -4.909 5.531 275 HE1 HIS 38 1HE HIS 38 -4.288 -8.787 3.845 276 HE2 HIS 38 2HE HIS 38 -3.082 -6.652 4.421 277 H THR 39 H THR 39 -5.299 -6.174 8.054 278 HA THR 39 HA THR 39 -5.352 -3.378 8.964 279 HB THR 39 HB THR 39 -3.908 -5.438 10.582 280 HG1 THR 39 1HG THR 39 -5.787 -5.777 11.786 281 HG21 THR 39 3HG2 THR 39 -5.414 -3.007 11.491 282 HG22 THR 39 1HG2 THR 39 -3.709 -2.981 11.042 283 HG23 THR 39 2HG2 THR 39 -4.249 -3.971 12.398 284 H VAL 40 H VAL 40 -3.640 -2.212 8.375 285 HA VAL 40 HA VAL 40 -1.230 -3.636 7.442 286 HB VAL 40 HB VAL 40 -2.692 -1.328 6.250 287 HG11 VAL 40 1HG1 VAL 40 0.279 -1.762 6.050 288 HG12 VAL 40 2HG1 VAL 40 -0.568 -0.303 6.563 289 HG13 VAL 40 3HG1 VAL 40 -0.644 -0.820 4.877 290 HG21 VAL 40 3HG2 VAL 40 -1.815 -2.597 4.175 291 HG22 VAL 40 1HG2 VAL 40 -3.121 -3.305 5.127 292 HG23 VAL 40 2HG2 VAL 40 -1.464 -3.883 5.333 293 H VAL 41 H VAL 41 0.683 -2.973 8.210 294 HA VAL 41 HA VAL 41 0.573 -0.779 10.146 295 HB VAL 41 HB VAL 41 2.586 -3.016 9.884 296 HG11 VAL 41 1HG1 VAL 41 3.665 -0.901 10.602 297 HG12 VAL 41 2HG1 VAL 41 3.671 -2.136 11.861 298 HG13 VAL 41 3HG1 VAL 41 2.519 -0.804 11.941 299 HG21 VAL 41 3HG2 VAL 41 1.616 -3.239 12.350 300 HG22 VAL 41 1HG2 VAL 41 0.831 -3.991 10.959 301 HG23 VAL 41 2HG2 VAL 41 0.228 -2.454 11.590 302 H LEU 42 H LEU 42 0.943 1.067 9.133 303 HA LEU 42 HA LEU 42 2.430 1.527 6.858 304 HB2 LEU 42 2HB LEU 42 1.763 3.298 9.193 305 HB3 LEU 42 1HB LEU 42 2.675 3.895 7.822 306 HG LEU 42 HG LEU 42 0.369 4.506 7.546 307 HD11 LEU 42 1HD1 LEU 42 0.230 3.978 5.353 308 HD12 LEU 42 2HD1 LEU 42 0.495 2.257 5.636 309 HD13 LEU 42 3HD1 LEU 42 1.861 3.374 5.644 310 HD21 LEU 42 3HD2 LEU 42 -0.450 1.625 7.476 311 HD22 LEU 42 1HD2 LEU 42 -1.453 3.063 7.674 312 HD23 LEU 42 2HD2 LEU 42 -0.419 2.519 8.995 313 H SER 43 H SER 43 3.535 1.007 10.104 314 HA SER 43 HA SER 43 6.082 2.182 9.918 315 HB2 SER 43 2HB SER 43 5.316 -0.234 11.566 316 HB3 SER 43 1HB SER 43 6.663 0.865 11.864 317 HG SER 43 HG SER 43 5.225 1.802 13.101 318 H THR 44 H THR 44 4.808 -0.832 8.789 319 HA THR 44 HA THR 44 7.468 -1.797 8.052 320 HB THR 44 HB THR 44 6.579 -3.926 7.870 321 HG1 THR 44 1HG THR 44 4.983 -3.915 6.480 322 HG21 THR 44 3HG2 THR 44 4.708 -2.564 9.785 323 HG22 THR 44 1HG2 THR 44 6.245 -3.337 10.170 324 HG23 THR 44 2HG2 THR 44 4.881 -4.312 9.620 325 H ILE 45 H ILE 45 4.501 -0.614 6.720 326 HA ILE 45 HA ILE 45 4.598 -1.332 4.095 327 HB ILE 45 HB ILE 45 3.833 1.362 5.218 328 HG12 ILE 45 2HG1 ILE 45 2.433 -0.337 6.127 329 HG13 ILE 45 1HG1 ILE 45 1.509 0.418 4.833 330 HG21 ILE 45 1HG2 ILE 45 2.599 1.730 3.144 331 HG22 ILE 45 2HG2 ILE 45 3.233 0.221 2.491 332 HG23 ILE 45 3HG2 ILE 45 4.325 1.562 2.833 333 HD11 ILE 45 3HD1 ILE 45 1.104 -1.699 4.228 334 HD12 ILE 45 1HD1 ILE 45 2.508 -2.324 5.092 335 HD13 ILE 45 2HD1 ILE 45 2.702 -1.605 3.493 336 H ASP 46 H ASP 46 6.395 -1.438 2.915 337 HA ASP 46 HA ASP 46 8.638 0.200 3.120 338 HB2 ASP 46 2HB ASP 46 8.208 -2.080 1.852 339 HB3 ASP 46 1HB ASP 46 7.933 -1.010 0.480 340 H LYS 47 H LYS 47 5.903 0.395 0.837 341 HA LYS 47 HA LYS 47 6.291 3.251 0.620 342 HB2 LYS 47 2HB LYS 47 6.275 1.776 -1.987 343 HB3 LYS 47 1HB LYS 47 6.824 3.409 -1.638 344 HG2 LYS 47 2HG LYS 47 8.782 2.505 -0.487 345 HG3 LYS 47 1HG LYS 47 8.231 0.867 -0.845 346 HD2 LYS 47 2HD LYS 47 8.188 1.872 -3.320 347 HD3 LYS 47 1HD LYS 47 9.444 2.900 -2.627 348 HE2 LYS 47 2HE LYS 47 10.864 1.120 -2.226 349 HE3 LYS 47 1HE LYS 47 9.552 -0.057 -2.221 350 HZ1 LYS 47 3HZ LYS 47 10.038 1.369 -4.717 351 HZ2 LYS 47 1HZ LYS 47 9.584 -0.241 -4.461 352 HZ3 LYS 47 2HZ LYS 47 11.197 0.226 -4.258 353 H LEU 48 H LEU 48 4.646 4.183 -0.970 354 HA LEU 48 HA LEU 48 2.120 2.693 -0.678 355 HB2 LEU 48 2HB LEU 48 2.166 4.757 0.608 356 HB3 LEU 48 1HB LEU 48 2.632 5.666 -0.814 357 HG LEU 48 HG LEU 48 0.372 4.815 -1.791 358 HD11 LEU 48 1HD1 LEU 48 -0.593 3.361 -0.358 359 HD12 LEU 48 2HD1 LEU 48 -1.210 4.844 0.371 360 HD13 LEU 48 3HD1 LEU 48 0.210 4.049 1.054 361 HD21 LEU 48 3HD2 LEU 48 -0.312 6.916 -1.470 362 HD22 LEU 48 1HD2 LEU 48 1.202 7.142 -0.594 363 HD23 LEU 48 2HD2 LEU 48 -0.276 6.754 0.286 364 H GLN 49 H GLN 49 0.574 2.890 -2.409 365 HA GLN 49 HA GLN 49 1.691 3.770 -4.976 366 HB2 GLN 49 2HB GLN 49 0.718 1.043 -4.255 367 HB3 GLN 49 1HB GLN 49 0.416 1.639 -5.881 368 HG2 GLN 49 2HG GLN 49 3.057 2.222 -5.555 369 HG3 GLN 49 1HG GLN 49 2.896 0.724 -4.639 370 HE21 GLN 49 1HE2 GLN 49 4.254 1.338 -7.192 371 HE22 GLN 49 2HE2 GLN 49 3.601 0.209 -8.340 372 H ALA 50 H ALA 50 0.314 4.889 -6.199 373 HA ALA 50 HA ALA 50 -2.566 4.609 -5.758 374 HB1 ALA 50 1HB ALA 50 -2.668 7.184 -5.908 375 HB2 ALA 50 2HB ALA 50 -0.974 7.123 -5.421 376 HB3 ALA 50 3HB ALA 50 -2.218 6.441 -4.373 377 H THR 51 H THR 51 -3.778 4.833 -7.570 378 HA THR 51 HA THR 51 -2.362 4.994 -10.097 379 HB THR 51 HB THR 51 -4.731 4.579 -11.002 380 HG1 THR 51 1HG THR 51 -5.789 5.243 -9.054 381 HG21 THR 51 3HG2 THR 51 -4.751 2.192 -9.901 382 HG22 THR 51 1HG2 THR 51 -3.140 2.678 -9.374 383 HG23 THR 51 2HG2 THR 51 -3.535 2.650 -11.093 384 HA PRO 52 HA PRO 52 -2.985 9.505 -10.060 385 HB2 PRO 52 2HB PRO 52 -1.884 9.632 -12.629 386 HB3 PRO 52 1HB PRO 52 -1.002 9.838 -11.112 387 HG2 PRO 52 2HG PRO 52 -1.352 7.376 -12.777 388 HG3 PRO 52 1HG PRO 52 0.110 7.981 -11.976 389 HD2 PRO 52 2HD PRO 52 -1.215 5.995 -10.903 390 HD3 PRO 52 1HD PRO 52 -0.671 7.328 -9.856 391 H ALA 53 H ALA 53 -4.138 10.960 -11.507 392 HA ALA 53 HA ALA 53 -6.577 9.911 -12.415 393 HB1 ALA 53 1HB ALA 53 -6.599 12.266 -13.630 394 HB2 ALA 53 2HB ALA 53 -5.231 12.551 -12.554 395 HB3 ALA 53 3HB ALA 53 -6.804 12.112 -11.885 396 H SER 54 H SER 54 -3.523 9.922 -13.922 397 HA SER 54 HA SER 54 -4.367 10.138 -16.629 398 HB2 SER 54 2HB SER 54 -2.057 8.864 -16.927 399 HB3 SER 54 1HB SER 54 -2.112 10.565 -16.463 400 HG SER 54 HG SER 54 -1.017 9.941 -14.788 401 H SER 55 H SER 55 -4.429 7.599 -14.321 402 HA SER 55 HA SER 55 -4.686 5.526 -16.355 403 HB2 SER 55 2HB SER 55 -3.428 5.326 -14.065 404 HB3 SER 55 1HB SER 55 -5.041 5.027 -13.418 405 HG SER 55 HG SER 55 -3.507 3.487 -15.181 406 H GLU 56 H GLU 56 -6.575 4.745 -17.049 407 HA GLU 56 HA GLU 56 -9.009 5.976 -16.454 408 HB2 GLU 56 2HB GLU 56 -8.237 3.462 -17.873 409 HB3 GLU 56 1HB GLU 56 -9.934 3.757 -17.523 410 HG2 GLU 56 2HG GLU 56 -9.344 6.107 -18.609 411 HG3 GLU 56 1HG GLU 56 -8.115 5.128 -19.409 412 H LYS 57 H LYS 57 -7.390 3.307 -14.971 413 HA LYS 57 HA LYS 57 -9.745 2.602 -13.392 414 HB2 LYS 57 2HB LYS 57 -7.051 1.301 -13.128 415 HB3 LYS 57 1HB LYS 57 -8.637 0.624 -12.790 416 HG2 LYS 57 2HG LYS 57 -7.385 1.136 -15.473 417 HG3 LYS 57 1HG LYS 57 -7.837 -0.413 -14.760 418 HD2 LYS 57 2HD LYS 57 -9.741 1.783 -15.574 419 HD3 LYS 57 1HD LYS 57 -9.443 0.290 -16.468 420 HE2 LYS 57 2HE LYS 57 -10.059 -0.728 -14.058 421 HE3 LYS 57 1HE LYS 57 -11.009 0.756 -14.006 422 HZ1 LYS 57 3HZ LYS 57 -12.287 -1.078 -14.914 423 HZ2 LYS 57 1HZ LYS 57 -11.142 -1.310 -16.137 424 HZ3 LYS 57 2HZ LYS 57 -12.053 0.114 -16.090 425 H MET 58 H MET 58 -9.536 2.388 -11.039 426 HA MET 58 HA MET 58 -7.546 4.229 -9.892 427 HB2 MET 58 2HB MET 58 -10.361 4.082 -8.848 428 HB3 MET 58 1HB MET 58 -9.148 5.321 -8.561 429 HG2 MET 58 2HG MET 58 -9.405 5.545 -11.222 430 HG3 MET 58 1HG MET 58 -11.024 4.984 -10.806 431 HE1 MET 58 3HE MET 58 -8.280 6.942 -9.351 432 HE2 MET 58 1HE MET 58 -9.152 7.941 -8.188 433 HE3 MET 58 2HE MET 58 -8.709 8.603 -9.762 434 H MET 59 H MET 59 -6.256 2.904 -8.768 435 HA MET 59 HA MET 59 -7.402 1.402 -6.567 436 HB2 MET 59 2HB MET 59 -5.457 -0.087 -8.289 437 HB3 MET 59 1HB MET 59 -6.623 -0.713 -7.133 438 HG2 MET 59 2HG MET 59 -7.516 -1.341 -9.159 439 HG3 MET 59 1HG MET 59 -8.395 0.140 -8.796 440 HE1 MET 59 3HE MET 59 -5.204 -0.736 -11.825 441 HE2 MET 59 1HE MET 59 -5.224 -1.198 -10.123 442 HE3 MET 59 2HE MET 59 -4.510 0.340 -10.611 443 H LEU 60 H LEU 60 -6.047 1.260 -4.834 444 HA LEU 60 HA LEU 60 -3.367 2.444 -5.176 445 HB2 LEU 60 2HB LEU 60 -5.448 2.722 -3.087 446 HB3 LEU 60 1HB LEU 60 -3.787 2.676 -2.530 447 HG LEU 60 HG LEU 60 -3.229 4.613 -3.875 448 HD11 LEU 60 1HD1 LEU 60 -4.593 4.277 -5.804 449 HD12 LEU 60 2HD1 LEU 60 -5.042 5.823 -5.086 450 HD13 LEU 60 3HD1 LEU 60 -6.070 4.409 -4.851 451 HD21 LEU 60 3HD2 LEU 60 -4.682 4.658 -1.611 452 HD22 LEU 60 1HD2 LEU 60 -5.754 5.559 -2.683 453 HD23 LEU 60 2HD2 LEU 60 -4.098 6.108 -2.426 454 H ARG 61 H ARG 61 -1.596 1.369 -4.419 455 HA ARG 61 HA ARG 61 -2.084 -1.275 -3.214 456 HB2 ARG 61 2HB ARG 61 -0.213 -0.353 -5.323 457 HB3 ARG 61 1HB ARG 61 0.398 -1.556 -4.197 458 HG2 ARG 61 2HG ARG 61 -1.531 -2.996 -4.745 459 HG3 ARG 61 1HG ARG 61 -2.044 -1.802 -5.938 460 HD2 ARG 61 2HD ARG 61 -0.792 -2.944 -7.393 461 HD3 ARG 61 1HD ARG 61 0.596 -2.221 -6.582 462 HE ARG 61 HE ARG 61 0.087 -4.427 -5.099 463 HH11 ARG 61 1HH1 ARG 61 0.573 -3.902 -8.514 464 HH12 ARG 61 2HH1 ARG 61 1.258 -5.469 -8.785 465 HH21 ARG 61 1HH2 ARG 61 0.986 -6.489 -5.452 466 HH22 ARG 61 2HH2 ARG 61 1.492 -6.939 -7.047 467 H LEU 62 H LEU 62 -0.578 -2.047 -1.652 468 HA LEU 62 HA LEU 62 1.004 0.059 -0.335 469 HB2 LEU 62 2HB LEU 62 -1.326 -0.975 0.650 470 HB3 LEU 62 1HB LEU 62 -0.141 -2.018 1.404 471 HG LEU 62 HG LEU 62 0.469 -0.444 2.883 472 HD11 LEU 62 1HD1 LEU 62 0.799 1.942 2.350 473 HD12 LEU 62 2HD1 LEU 62 0.285 1.611 0.695 474 HD13 LEU 62 3HD1 LEU 62 1.749 0.860 1.330 475 HD21 LEU 62 3HD2 LEU 62 -1.237 1.244 3.365 476 HD22 LEU 62 1HD2 LEU 62 -1.943 -0.338 3.033 477 HD23 LEU 62 2HD2 LEU 62 -1.979 0.920 1.797 478 H ILE 63 H ILE 63 3.082 -0.491 -0.453 479 HA ILE 63 HA ILE 63 3.871 -3.283 -0.631 480 HB ILE 63 HB ILE 63 5.538 -0.761 -0.711 481 HG12 ILE 63 2HG1 ILE 63 4.078 -0.963 -2.644 482 HG13 ILE 63 1HG1 ILE 63 5.740 -1.297 -3.122 483 HG21 ILE 63 1HG2 ILE 63 6.829 -2.662 0.121 484 HG22 ILE 63 2HG2 ILE 63 7.358 -2.191 -1.494 485 HG23 ILE 63 3HG2 ILE 63 6.338 -3.613 -1.280 486 HD11 ILE 63 3HD1 ILE 63 3.392 -3.073 -3.051 487 HD12 ILE 63 1HD1 ILE 63 4.937 -3.787 -2.586 488 HD13 ILE 63 2HD1 ILE 63 4.756 -3.029 -4.169 489 H GLY 64 H GLY 64 4.885 -4.434 0.942 490 HA2 GLY 64 2HA GLY 64 5.076 -3.137 3.577 491 HA3 GLY 64 1HA GLY 64 4.888 -4.861 3.304 492 H LYS 65 H LYS 65 6.777 -4.137 5.056 493 HA LYS 65 HA LYS 65 9.332 -3.659 3.902 494 HB2 LYS 65 2HB LYS 65 8.332 -3.594 6.441 495 HB3 LYS 65 1HB LYS 65 9.264 -5.084 6.481 496 HG2 LYS 65 2HG LYS 65 10.551 -3.137 7.240 497 HG3 LYS 65 1HG LYS 65 11.261 -3.903 5.817 498 HD2 LYS 65 2HD LYS 65 10.944 -2.085 4.535 499 HD3 LYS 65 1HD LYS 65 9.341 -1.777 5.204 500 HE2 LYS 65 2HE LYS 65 10.407 0.039 6.050 501 HE3 LYS 65 1HE LYS 65 10.797 -1.109 7.330 502 HZ1 LYS 65 3HZ LYS 65 12.876 -0.407 6.911 503 HZ2 LYS 65 1HZ LYS 65 12.524 0.100 5.336 504 HZ3 LYS 65 2HZ LYS 65 12.815 -1.535 5.653 505 H VAL 66 H VAL 66 10.978 -5.070 3.372 506 HA VAL 66 HA VAL 66 10.228 -7.873 3.123 507 HB VAL 66 HB VAL 66 10.605 -6.642 1.034 508 HG11 VAL 66 1HG1 VAL 66 13.386 -6.452 0.892 509 HG12 VAL 66 2HG1 VAL 66 12.931 -5.709 2.425 510 HG13 VAL 66 3HG1 VAL 66 12.214 -5.134 0.920 511 HG21 VAL 66 3HG2 VAL 66 12.057 -9.050 1.848 512 HG22 VAL 66 1HG2 VAL 66 12.686 -8.272 0.395 513 HG23 VAL 66 2HG2 VAL 66 10.995 -8.772 0.467 514 H ASP 67 H ASP 67 13.316 -7.685 2.486 515 HA ASP 67 HA ASP 67 14.514 -7.602 5.065 516 HB2 ASP 67 2HB ASP 67 13.250 -9.891 4.825 517 HB3 ASP 67 1HB ASP 67 14.636 -10.329 3.830 518 H GLU 68 H GLU 68 16.270 -6.500 4.469 519 HA GLU 68 HA GLU 68 17.502 -6.584 1.965 520 HB2 GLU 68 2HB GLU 68 18.535 -5.716 4.661 521 HB3 GLU 68 1HB GLU 68 19.460 -5.522 3.178 522 HG2 GLU 68 2HG GLU 68 16.709 -4.470 3.132 523 HG3 GLU 68 1HG GLU 68 17.846 -3.637 4.192 524 H SER 69 H SER 69 17.740 -8.736 4.625 525 HA SER 69 HA SER 69 20.232 -9.905 3.643 526 HB2 SER 69 2HB SER 69 20.400 -11.033 5.696 527 HB3 SER 69 1HB SER 69 19.693 -9.479 6.138 528 HG SER 69 HG SER 69 18.680 -11.956 6.442 529 H LYS 70 H LYS 70 18.115 -10.153 1.877 530 HA LYS 70 HA LYS 70 17.903 -13.041 1.723 531 HB2 LYS 70 2HB LYS 70 15.475 -11.249 1.844 532 HB3 LYS 70 1HB LYS 70 15.432 -12.908 1.265 533 HG2 LYS 70 2HG LYS 70 16.288 -12.057 4.024 534 HG3 LYS 70 1HG LYS 70 14.701 -12.699 3.597 535 HD2 LYS 70 2HD LYS 70 15.772 -14.780 2.833 536 HD3 LYS 70 1HD LYS 70 17.341 -14.135 3.320 537 HE2 LYS 70 2HE LYS 70 16.224 -15.705 4.956 538 HE3 LYS 70 1HE LYS 70 16.751 -14.153 5.604 539 HZ1 LYS 70 3HZ LYS 70 14.425 -14.999 6.202 540 HZ2 LYS 70 1HZ LYS 70 13.987 -14.523 4.638 541 HZ3 LYS 70 2HZ LYS 70 14.585 -13.381 5.734 542 H LYS 71 H LYS 71 19.254 -10.936 0.235 543 HA LYS 71 HA LYS 71 17.924 -10.336 -2.172 544 HB2 LYS 71 2HB LYS 71 20.815 -10.426 -1.365 545 HB3 LYS 71 1HB LYS 71 20.361 -10.106 -3.033 546 HG2 LYS 71 2HG LYS 71 18.999 -8.487 -0.978 547 HG3 LYS 71 1HG LYS 71 20.724 -8.189 -1.202 548 HD2 LYS 71 2HD LYS 71 19.123 -8.404 -3.670 549 HD3 LYS 71 1HD LYS 71 18.790 -6.997 -2.657 550 HE2 LYS 71 2HE LYS 71 21.610 -7.737 -3.320 551 HE3 LYS 71 1HE LYS 71 20.627 -6.866 -4.497 552 HZ1 LYS 71 3HZ LYS 71 21.229 -5.974 -1.728 553 HZ2 LYS 71 1HZ LYS 71 20.245 -5.145 -2.828 554 HZ3 LYS 71 2HZ LYS 71 21.895 -5.337 -3.146 555 H ARG 72 H ARG 72 18.077 -11.260 -4.234 556 HA ARG 72 HA ARG 72 19.519 -13.636 -4.783 557 HB2 ARG 72 2HB ARG 72 17.675 -15.216 -4.948 558 HB3 ARG 72 1HB ARG 72 17.814 -14.614 -3.303 559 HG2 ARG 72 2HG ARG 72 15.778 -13.694 -3.340 560 HG3 ARG 72 1HG ARG 72 15.987 -13.062 -4.974 561 HD2 ARG 72 2HD ARG 72 14.670 -14.671 -5.747 562 HD3 ARG 72 1HD ARG 72 15.825 -15.876 -5.180 563 HE ARG 72 HE ARG 72 14.435 -16.336 -3.417 564 HH11 ARG 72 1HH1 ARG 72 13.423 -13.351 -4.916 565 HH12 ARG 72 2HH1 ARG 72 11.956 -13.245 -4.002 566 HH21 ARG 72 1HH2 ARG 72 12.506 -16.197 -2.214 567 HH22 ARG 72 2HH2 ARG 72 11.435 -14.859 -2.468 568 H LYS 73 H LYS 73 18.231 -14.761 -6.815 569 HA LYS 73 HA LYS 73 17.804 -12.527 -8.680 570 HB2 LYS 73 2HB LYS 73 18.546 -15.362 -9.398 571 HB3 LYS 73 1HB LYS 73 18.604 -13.944 -10.434 572 HG2 LYS 73 2HG LYS 73 20.233 -13.751 -8.004 573 HG3 LYS 73 1HG LYS 73 20.735 -15.003 -9.141 574 HD2 LYS 73 2HD LYS 73 20.431 -13.075 -10.900 575 HD3 LYS 73 1HD LYS 73 20.648 -12.042 -9.486 576 HE2 LYS 73 2HE LYS 73 22.812 -12.784 -9.115 577 HE3 LYS 73 1HE LYS 73 22.561 -14.277 -10.020 578 HZ1 LYS 73 3HZ LYS 73 23.895 -12.239 -11.007 579 HZ2 LYS 73 1HZ LYS 73 22.345 -11.768 -11.497 580 HZ3 LYS 73 2HZ LYS 73 22.971 -13.261 -11.987 581 H ASP 74 H ASP 74 16.643 -13.802 -10.783 582 HA ASP 74 HA ASP 74 14.070 -14.702 -9.662 583 HB2 ASP 74 2HB ASP 74 14.310 -12.440 -10.984 584 HB3 ASP 74 1HB ASP 74 14.276 -13.494 -12.393 585 H ASN 75 H ASN 75 16.445 -16.309 -10.464 586 HA ASN 75 HA ASN 75 16.729 -18.404 -11.328 587 HB2 ASN 75 2HB ASN 75 14.130 -18.461 -11.005 588 HB3 ASN 75 1HB ASN 75 14.100 -18.306 -12.759 589 HD21 ASN 75 1HD2 ASN 75 14.835 -20.345 -10.075 590 HD22 ASN 75 2HD2 ASN 75 15.122 -21.790 -10.978 591 H GLU 76 H GLU 76 16.474 -15.606 -13.023 592 HA GLU 76 HA GLU 76 17.115 -16.862 -15.596 593 HB2 GLU 76 2HB GLU 76 16.690 -13.932 -15.411 594 HB3 GLU 76 1HB GLU 76 16.222 -15.053 -16.681 595 HG2 GLU 76 2HG GLU 76 14.393 -15.870 -15.269 596 HG3 GLU 76 1HG GLU 76 14.861 -14.718 -14.019 597 H GLY 77 H GLY 77 18.265 -14.752 -13.103 598 HA2 GLY 77 2HA GLY 77 20.726 -14.824 -12.778 599 HA3 GLY 77 1HA GLY 77 20.858 -14.556 -14.510 600 H ASN 78 H ASN 78 18.504 -12.923 -12.493 601 HA ASN 78 HA ASN 78 20.049 -10.432 -12.787 602 HB2 ASN 78 2HB ASN 78 17.035 -10.613 -12.869 603 HB3 ASN 78 1HB ASN 78 18.034 -9.207 -13.223 604 HD21 ASN 78 1HD2 ASN 78 19.795 -9.822 -14.960 605 HD22 ASN 78 2HD2 ASN 78 19.139 -10.564 -16.387 606 H GLU 79 H GLU 79 20.668 -9.715 -10.866 607 HA GLU 79 HA GLU 79 19.708 -10.645 -8.409 608 HB2 GLU 79 2HB GLU 79 21.880 -9.268 -9.118 609 HB3 GLU 79 1HB GLU 79 20.905 -7.922 -8.544 610 HG2 GLU 79 2HG GLU 79 20.574 -9.254 -6.415 611 HG3 GLU 79 1HG GLU 79 21.847 -10.320 -7.007 612 H VAL 80 H VAL 80 17.777 -10.333 -7.541 613 HA VAL 80 HA VAL 80 16.530 -7.678 -7.801 614 HB VAL 80 HB VAL 80 14.327 -8.698 -7.963 615 HG11 VAL 80 1HG1 VAL 80 14.425 -9.042 -10.200 616 HG12 VAL 80 2HG1 VAL 80 15.767 -10.181 -10.078 617 HG13 VAL 80 3HG1 VAL 80 16.070 -8.447 -9.972 618 HG21 VAL 80 3HG2 VAL 80 14.486 -11.287 -8.573 619 HG22 VAL 80 1HG2 VAL 80 14.255 -10.718 -6.920 620 HG23 VAL 80 2HG2 VAL 80 15.862 -11.188 -7.474 621 H VAL 81 H VAL 81 14.408 -7.875 -6.200 622 HA VAL 81 HA VAL 81 15.520 -8.685 -3.592 623 HB VAL 81 HB VAL 81 13.624 -6.384 -4.083 624 HG11 VAL 81 1HG1 VAL 81 14.117 -5.779 -1.778 625 HG12 VAL 81 2HG1 VAL 81 15.182 -7.176 -1.625 626 HG13 VAL 81 3HG1 VAL 81 13.451 -7.410 -1.864 627 HG21 VAL 81 3HG2 VAL 81 16.237 -6.389 -4.813 628 HG22 VAL 81 1HG2 VAL 81 16.351 -5.814 -3.150 629 HG23 VAL 81 2HG2 VAL 81 15.344 -4.952 -4.314 630 HA PRO 82 HA PRO 82 12.111 -11.468 -3.095 631 HB2 PRO 82 2HB PRO 82 12.121 -10.467 -0.285 632 HB3 PRO 82 1HB PRO 82 12.155 -12.128 -0.888 633 HG2 PRO 82 2HG PRO 82 14.363 -10.993 0.069 634 HG3 PRO 82 1HG PRO 82 14.428 -12.056 -1.350 635 HD2 PRO 82 2HD PRO 82 14.595 -9.081 -1.198 636 HD3 PRO 82 1HD PRO 82 15.418 -10.205 -2.298 637 H LYS 83 H LYS 83 10.062 -11.124 -3.644 638 HA LYS 83 HA LYS 83 8.819 -8.629 -3.644 639 HB2 LYS 83 2HB LYS 83 6.691 -10.000 -3.989 640 HB3 LYS 83 1HB LYS 83 7.986 -10.222 -5.158 641 HG2 LYS 83 2HG LYS 83 8.105 -12.062 -2.891 642 HG3 LYS 83 1HG LYS 83 6.653 -12.223 -3.881 643 HD2 LYS 83 2HD LYS 83 9.188 -11.968 -5.363 644 HD3 LYS 83 1HD LYS 83 8.997 -13.451 -4.425 645 HE2 LYS 83 2HE LYS 83 8.010 -14.123 -6.363 646 HE3 LYS 83 1HE LYS 83 6.605 -13.419 -5.564 647 HZ1 LYS 83 3HZ LYS 83 7.531 -11.280 -6.798 648 HZ2 LYS 83 1HZ LYS 83 6.451 -12.354 -7.534 649 HZ3 LYS 83 2HZ LYS 83 8.106 -12.456 -7.868 650 HA PRO 84 HA PRO 84 7.850 -8.555 0.776 651 HB2 PRO 84 2HB PRO 84 6.988 -5.995 0.832 652 HB3 PRO 84 1HB PRO 84 8.702 -6.427 0.826 653 HG2 PRO 84 2HG PRO 84 6.957 -5.582 -1.449 654 HG3 PRO 84 1HG PRO 84 8.599 -5.053 -1.048 655 HD2 PRO 84 2HD PRO 84 8.113 -6.895 -2.957 656 HD3 PRO 84 1HD PRO 84 9.565 -6.955 -1.936 657 H GLN 85 H GLN 85 5.815 -7.508 1.944 658 HA GLN 85 HA GLN 85 3.527 -8.855 0.877 659 HB2 GLN 85 2HB GLN 85 3.640 -6.926 3.202 660 HB3 GLN 85 1HB GLN 85 2.376 -8.102 2.870 661 HG2 GLN 85 2HG GLN 85 4.481 -9.749 2.994 662 HG3 GLN 85 1HG GLN 85 5.044 -8.470 4.069 663 HE21 GLN 85 1HE2 GLN 85 2.774 -7.661 5.290 664 HE22 GLN 85 2HE2 GLN 85 2.100 -8.955 6.231 665 H ARG 86 H ARG 86 2.314 -8.062 -0.702 666 HA ARG 86 HA ARG 86 2.066 -5.144 -0.962 667 HB2 ARG 86 2HB ARG 86 1.930 -7.383 -2.957 668 HB3 ARG 86 1HB ARG 86 1.224 -5.814 -3.318 669 HG2 ARG 86 2HG ARG 86 3.203 -4.996 -3.871 670 HG3 ARG 86 1HG ARG 86 3.879 -5.459 -2.308 671 HD2 ARG 86 2HD ARG 86 5.195 -6.788 -3.563 672 HD3 ARG 86 1HD ARG 86 3.798 -7.862 -3.530 673 HE ARG 86 HE ARG 86 3.336 -6.300 -5.693 674 HH11 ARG 86 1HH1 ARG 86 6.055 -8.234 -4.671 675 HH12 ARG 86 2HH1 ARG 86 6.570 -8.589 -6.286 676 HH21 ARG 86 1HH2 ARG 86 4.012 -6.767 -7.818 677 HH22 ARG 86 2HH2 ARG 86 5.411 -7.756 -8.073 678 H HIS 87 H HIS 87 0.246 -4.327 -0.198 679 HA HIS 87 HA HIS 87 -2.154 -5.985 -0.050 680 HB2 HIS 87 2HB HIS 87 -1.707 -3.187 1.012 681 HB3 HIS 87 1HB HIS 87 -3.058 -4.250 1.389 682 HD1 HIS 87 1HD HIS 87 -2.120 -6.674 2.498 683 HD2 HIS 87 2HD HIS 87 0.162 -3.231 2.951 684 HE1 HIS 87 1HE HIS 87 -0.600 -7.127 4.449 685 HE2 HIS 87 2HE HIS 87 0.707 -4.996 4.763 686 H MET 88 H MET 88 -3.397 -5.997 -1.807 687 HA MET 88 HA MET 88 -3.410 -3.734 -3.618 688 HB2 MET 88 2HB MET 88 -3.382 -6.226 -4.276 689 HB3 MET 88 1HB MET 88 -5.102 -6.202 -3.905 690 HG2 MET 88 2HG MET 88 -5.623 -5.057 -5.761 691 HG3 MET 88 1HG MET 88 -4.177 -4.050 -5.675 692 HE1 MET 88 3HE MET 88 -1.886 -5.100 -7.981 693 HE2 MET 88 1HE MET 88 -2.911 -3.863 -7.255 694 HE3 MET 88 2HE MET 88 -3.387 -4.620 -8.773 695 H PHE 89 H PHE 89 -4.660 -2.062 -3.145 696 HA PHE 89 HA PHE 89 -7.384 -2.581 -2.147 697 HB2 PHE 89 2HB PHE 89 -5.594 -0.195 -1.633 698 HB3 PHE 89 1HB PHE 89 -7.278 -0.306 -1.133 699 HD1 PHE 89 2HD PHE 89 -7.893 -2.325 0.372 700 HD2 PHE 89 1HD PHE 89 -3.927 -0.895 -0.201 701 HE1 PHE 89 2HE PHE 89 -7.201 -3.417 2.465 702 HE2 PHE 89 1HE PHE 89 -3.227 -1.985 1.890 703 HZ PHE 89 HZ PHE 89 -4.866 -3.248 3.227 704 H SER 90 H SER 90 -9.054 -1.744 -3.292 705 HA SER 90 HA SER 90 -8.349 -0.154 -5.668 706 HB2 SER 90 2HB SER 90 -9.269 -2.177 -6.441 707 HB3 SER 90 1HB SER 90 -10.508 -2.195 -5.186 708 HG SER 90 HG SER 90 -10.926 -1.422 -7.547 709 H PHE 91 H PHE 91 -9.244 1.788 -5.981 710 HA PHE 91 HA PHE 91 -11.279 2.672 -4.043 711 HB2 PHE 91 2HB PHE 91 -9.027 4.153 -5.386 712 HB3 PHE 91 1HB PHE 91 -10.386 5.003 -4.656 713 HD1 PHE 91 2HD PHE 91 -7.844 2.403 -3.846 714 HD2 PHE 91 1HD PHE 91 -10.269 5.601 -2.441 715 HE1 PHE 91 2HE PHE 91 -6.754 2.253 -1.647 716 HE2 PHE 91 1HE PHE 91 -9.190 5.462 -0.238 717 HZ PHE 91 HZ PHE 91 -7.428 3.786 0.167 718 H ASN 92 H ASN 92 -12.953 4.073 -4.786 719 HA ASN 92 HA ASN 92 -13.526 3.723 -7.645 720 HB2 ASN 92 2HB ASN 92 -15.217 3.699 -5.208 721 HB3 ASN 92 1HB ASN 92 -15.929 4.389 -6.664 722 HD21 ASN 92 1HD2 ASN 92 -16.787 2.039 -5.333 723 HD22 ASN 92 2HD2 ASN 92 -16.590 0.716 -6.427 724 H ASN 93 H ASN 93 -13.151 6.069 -5.132 725 HA ASN 93 HA ASN 93 -13.992 8.202 -6.974 726 HB2 ASN 93 2HB ASN 93 -14.324 7.805 -4.129 727 HB3 ASN 93 1HB ASN 93 -13.518 9.338 -4.451 728 HD21 ASN 93 1HD2 ASN 93 -16.094 9.048 -3.349 729 HD22 ASN 93 2HD2 ASN 93 -17.230 9.745 -4.462 730 H ARG 94 H ARG 94 -12.721 10.236 -6.860 731 HA ARG 94 HA ARG 94 -9.886 9.599 -7.017 732 HB2 ARG 94 2HB ARG 94 -9.663 11.780 -8.101 733 HB3 ARG 94 1HB ARG 94 -10.916 10.816 -8.872 734 HG2 ARG 94 2HG ARG 94 -12.062 12.749 -8.744 735 HG3 ARG 94 1HG ARG 94 -12.420 12.167 -7.117 736 HD2 ARG 94 2HD ARG 94 -11.709 14.315 -6.689 737 HD3 ARG 94 1HD ARG 94 -10.213 13.405 -6.493 738 HE ARG 94 HE ARG 94 -10.340 14.202 -9.148 739 HH11 ARG 94 1HH1 ARG 94 -10.130 15.699 -6.003 740 HH12 ARG 94 2HH1 ARG 94 -9.276 17.089 -6.582 741 HH21 ARG 94 1HH2 ARG 94 -9.216 16.030 -9.913 742 HH22 ARG 94 2HH2 ARG 94 -8.756 17.277 -8.803 743 H THR 95 H THR 95 -12.068 11.716 -5.223 744 HA THR 95 HA THR 95 -10.062 13.114 -3.826 745 HB THR 95 HB THR 95 -12.677 12.844 -2.579 746 HG1 THR 95 1HG THR 95 -13.871 13.536 -4.210 747 HG21 THR 95 3HG2 THR 95 -12.673 15.235 -2.618 748 HG22 THR 95 1HG2 THR 95 -11.295 15.238 -3.715 749 HG23 THR 95 2HG2 THR 95 -11.102 14.660 -2.060 750 H VAL 96 H VAL 96 -12.260 10.479 -2.854 751 HA VAL 96 HA VAL 96 -11.327 10.155 -0.258 752 HB VAL 96 HB VAL 96 -13.355 9.049 -1.113 753 HG11 VAL 96 1HG1 VAL 96 -12.238 8.367 -3.293 754 HG12 VAL 96 2HG1 VAL 96 -13.323 7.193 -2.550 755 HG13 VAL 96 3HG1 VAL 96 -11.579 7.000 -2.398 756 HG21 VAL 96 3HG2 VAL 96 -11.342 7.096 -0.002 757 HG22 VAL 96 1HG2 VAL 96 -13.098 6.956 0.088 758 HG23 VAL 96 2HG2 VAL 96 -12.273 8.255 0.947 759 H MET 97 H MET 97 -10.207 8.561 -3.237 760 HA MET 97 HA MET 97 -8.224 6.996 -1.977 761 HB2 MET 97 2HB MET 97 -7.253 6.767 -4.243 762 HB3 MET 97 1HB MET 97 -8.977 6.431 -4.205 763 HG2 MET 97 2HG MET 97 -8.826 7.712 -6.084 764 HG3 MET 97 1HG MET 97 -9.181 8.941 -4.874 765 HE1 MET 97 3HE MET 97 -7.008 8.087 -7.813 766 HE2 MET 97 1HE MET 97 -6.260 9.684 -7.865 767 HE3 MET 97 2HE MET 97 -8.013 9.535 -7.739 768 H ASP 98 H ASP 98 -8.304 10.232 -3.220 769 HA ASP 98 HA ASP 98 -5.546 10.784 -3.206 770 HB2 ASP 98 2HB ASP 98 -8.036 12.323 -3.394 771 HB3 ASP 98 1HB ASP 98 -6.725 13.205 -2.618 772 H ASN 99 H ASN 99 -7.985 10.809 -0.686 773 HA ASN 99 HA ASN 99 -6.448 12.183 1.265 774 HB2 ASN 99 2HB ASN 99 -8.900 10.465 1.322 775 HB3 ASN 99 1HB ASN 99 -8.096 10.867 2.837 776 HD21 ASN 99 1HD2 ASN 99 -9.057 12.509 -0.163 777 HD22 ASN 99 2HD2 ASN 99 -9.733 13.904 0.621 778 H ILE 100 H ILE 100 -7.041 8.733 0.656 779 HA ILE 100 HA ILE 100 -5.468 7.743 2.767 780 HB ILE 100 HB ILE 100 -6.025 6.407 0.113 781 HG12 ILE 100 2HG1 ILE 100 -8.086 7.151 1.260 782 HG13 ILE 100 1HG1 ILE 100 -7.954 5.396 1.205 783 HG21 ILE 100 1HG2 ILE 100 -4.236 5.536 1.849 784 HG22 ILE 100 2HG2 ILE 100 -5.312 4.428 0.999 785 HG23 ILE 100 3HG2 ILE 100 -5.673 4.910 2.657 786 HD11 ILE 100 3HD1 ILE 100 -7.059 5.482 3.536 787 HD12 ILE 100 1HD1 ILE 100 -8.740 5.983 3.354 788 HD13 ILE 100 2HD1 ILE 100 -7.476 7.196 3.557 789 H LYS 101 H LYS 101 -4.696 8.230 -0.671 790 HA LYS 101 HA LYS 101 -2.098 7.298 -0.681 791 HB2 LYS 101 2HB LYS 101 -3.336 7.934 -2.704 792 HB3 LYS 101 1HB LYS 101 -3.215 9.628 -2.248 793 HG2 LYS 101 2HG LYS 101 -0.632 9.068 -2.234 794 HG3 LYS 101 1HG LYS 101 -1.152 7.803 -3.349 795 HD2 LYS 101 2HD LYS 101 -0.891 9.422 -4.898 796 HD3 LYS 101 1HD LYS 101 -2.494 9.921 -4.353 797 HE2 LYS 101 2HE LYS 101 -0.976 11.213 -2.552 798 HE3 LYS 101 1HE LYS 101 0.144 11.179 -3.913 799 HZ1 LYS 101 3HZ LYS 101 -2.417 12.563 -3.648 800 HZ2 LYS 101 1HZ LYS 101 -1.995 11.988 -5.182 801 HZ3 LYS 101 2HZ LYS 101 -0.983 13.079 -4.379 802 H MET 102 H MET 102 -3.277 10.515 0.214 803 HA MET 102 HA MET 102 -0.606 11.487 0.703 804 HB2 MET 102 2HB MET 102 -1.642 13.578 1.279 805 HB3 MET 102 1HB MET 102 -2.411 12.954 -0.173 806 HG2 MET 102 2HG MET 102 -4.278 12.130 1.187 807 HG3 MET 102 1HG MET 102 -3.512 12.804 2.624 808 HE1 MET 102 3HE MET 102 -4.944 15.328 -0.939 809 HE2 MET 102 1HE MET 102 -5.720 13.774 -0.633 810 HE3 MET 102 2HE MET 102 -3.998 13.841 -1.008 811 H THR 103 H THR 103 -3.349 10.439 2.592 812 HA THR 103 HA THR 103 -2.288 11.169 5.119 813 HB THR 103 HB THR 103 -4.393 9.109 4.428 814 HG1 THR 103 1HG THR 103 -5.746 10.720 4.387 815 HG21 THR 103 3HG2 THR 103 -3.198 9.640 6.931 816 HG22 THR 103 1HG2 THR 103 -4.588 8.617 6.569 817 HG23 THR 103 2HG2 THR 103 -4.824 10.322 6.954 818 H LEU 104 H LEU 104 -2.231 8.136 3.278 819 HA LEU 104 HA LEU 104 -1.027 6.580 5.285 820 HB2 LEU 104 2HB LEU 104 -1.409 6.359 2.362 821 HB3 LEU 104 1HB LEU 104 -0.072 5.437 3.021 822 HG LEU 104 HG LEU 104 -1.556 4.225 4.493 823 HD11 LEU 104 1HD1 LEU 104 -3.448 6.346 3.708 824 HD12 LEU 104 2HD1 LEU 104 -3.283 5.474 5.232 825 HD13 LEU 104 3HD1 LEU 104 -4.119 4.723 3.873 826 HD21 LEU 104 3HD2 LEU 104 -2.634 4.354 1.680 827 HD22 LEU 104 1HD2 LEU 104 -2.928 3.052 2.832 828 HD23 LEU 104 2HD2 LEU 104 -1.294 3.354 2.241 829 H GLN 105 H GLN 105 0.455 8.136 2.441 830 HA GLN 105 HA GLN 105 3.112 7.670 3.059 831 HB2 GLN 105 2HB GLN 105 3.636 9.609 1.652 832 HB3 GLN 105 1HB GLN 105 2.388 8.611 0.919 833 HG2 GLN 105 2HG GLN 105 0.682 10.177 1.730 834 HG3 GLN 105 1HG GLN 105 1.954 11.188 2.411 835 HE21 GLN 105 1HE2 GLN 105 1.272 9.563 -0.674 836 HE22 GLN 105 2HE2 GLN 105 1.650 10.933 -1.672 837 H GLN 106 H GLN 106 0.877 9.946 4.440 838 HA GLN 106 HA GLN 106 2.726 11.687 5.655 839 HB2 GLN 106 2HB GLN 106 -0.129 11.181 5.808 840 HB3 GLN 106 1HB GLN 106 0.541 11.553 7.390 841 HG2 GLN 106 2HG GLN 106 0.630 13.245 4.910 842 HG3 GLN 106 1HG GLN 106 -0.208 13.583 6.424 843 HE21 GLN 106 1HE2 GLN 106 2.784 13.663 4.725 844 HE22 GLN 106 2HE2 GLN 106 3.700 14.502 5.939 845 H ILE 107 H ILE 107 1.460 8.577 6.515 846 HA ILE 107 HA ILE 107 2.708 8.565 9.136 847 HB ILE 107 HB ILE 107 1.233 6.411 7.609 848 HG12 ILE 107 2HG1 ILE 107 0.098 7.330 10.131 849 HG13 ILE 107 1HG1 ILE 107 0.267 8.640 8.967 850 HG21 ILE 107 1HG2 ILE 107 2.875 5.406 9.085 851 HG22 ILE 107 2HG2 ILE 107 1.245 5.141 9.704 852 HG23 ILE 107 3HG2 ILE 107 2.276 6.368 10.436 853 HD11 ILE 107 3HD1 ILE 107 -1.927 7.531 8.882 854 HD12 ILE 107 1HD1 ILE 107 -1.125 6.031 8.417 855 HD13 ILE 107 2HD1 ILE 107 -1.049 7.438 7.355 856 H ILE 108 H ILE 108 3.172 7.219 5.937 857 HA ILE 108 HA ILE 108 5.239 5.406 6.425 858 HB ILE 108 HB ILE 108 4.955 7.143 3.970 859 HG12 ILE 108 2HG1 ILE 108 3.507 4.629 4.782 860 HG13 ILE 108 1HG1 ILE 108 2.823 6.177 4.313 861 HG21 ILE 108 1HG2 ILE 108 6.012 4.338 4.150 862 HG22 ILE 108 2HG2 ILE 108 7.042 5.765 4.276 863 HG23 ILE 108 3HG2 ILE 108 6.123 5.467 2.801 864 HD11 ILE 108 3HD1 ILE 108 4.304 4.309 2.483 865 HD12 ILE 108 1HD1 ILE 108 3.550 5.836 2.029 866 HD13 ILE 108 2HD1 ILE 108 2.552 4.488 2.574 867 H SER 109 H SER 109 5.488 8.732 5.213 868 HA SER 109 HA SER 109 8.250 8.987 5.339 869 HB2 SER 109 2HB SER 109 6.482 10.577 4.318 870 HB3 SER 109 1HB SER 109 6.431 11.309 5.922 871 HG SER 109 HG SER 109 8.022 12.427 5.048 872 H ARG 110 H ARG 110 5.939 9.010 7.890 873 HA ARG 110 HA ARG 110 7.262 10.492 9.843 874 HB2 ARG 110 2HB ARG 110 5.517 9.862 11.097 875 HB3 ARG 110 1HB ARG 110 4.960 8.949 9.707 876 HG2 ARG 110 2HG ARG 110 6.062 6.954 10.542 877 HG3 ARG 110 1HG ARG 110 6.694 7.863 11.917 878 HD2 ARG 110 2HD ARG 110 3.785 7.364 11.291 879 HD3 ARG 110 1HD ARG 110 4.727 6.577 12.557 880 HE ARG 110 HE ARG 110 4.838 9.366 12.909 881 HH11 ARG 110 1HH1 ARG 110 2.592 6.707 13.179 882 HH12 ARG 110 2HH1 ARG 110 1.645 7.469 14.414 883 HH21 ARG 110 1HH2 ARG 110 3.594 10.368 14.533 884 HH22 ARG 110 2HH2 ARG 110 2.214 9.548 15.182 885 H TYR 111 H TYR 111 7.464 7.022 9.139 886 HA TYR 111 HA TYR 111 9.502 6.535 11.083 887 HB2 TYR 111 2HB TYR 111 9.053 4.731 8.731 888 HB3 TYR 111 1HB TYR 111 9.451 4.312 10.393 889 HD1 TYR 111 2HD TYR 111 7.657 4.513 12.157 890 HD2 TYR 111 1HD TYR 111 6.814 4.809 7.997 891 HE1 TYR 111 2HE TYR 111 5.285 4.056 12.611 892 HE2 TYR 111 1HE TYR 111 4.440 4.352 8.438 893 HH TYR 111 HH TYR 111 3.130 4.345 11.623 894 H LYS 112 H LYS 112 9.447 7.546 7.770 895 HA LYS 112 HA LYS 112 11.956 6.780 6.889 896 HB2 LYS 112 2HB LYS 112 9.986 8.066 5.710 897 HB3 LYS 112 1HB LYS 112 10.907 9.488 6.180 898 HG2 LYS 112 2HG LYS 112 11.778 9.134 4.113 899 HG3 LYS 112 1HG LYS 112 12.886 8.148 5.067 900 HD2 LYS 112 2HD LYS 112 12.222 6.268 4.062 901 HD3 LYS 112 1HD LYS 112 10.517 6.667 4.286 902 HE2 LYS 112 2HE LYS 112 10.495 6.832 2.046 903 HE3 LYS 112 1HE LYS 112 11.211 8.417 2.334 904 HZ1 LYS 112 3HZ LYS 112 13.048 6.163 2.184 905 HZ2 LYS 112 1HZ LYS 112 13.223 7.743 1.606 906 HZ3 LYS 112 2HZ LYS 112 12.303 6.621 0.738 907 H ASP 113 H ASP 113 11.180 10.063 8.050 908 HA ASP 113 HA ASP 113 13.838 10.867 8.383 909 HB2 ASP 113 2HB ASP 113 11.511 12.178 8.451 910 HB3 ASP 113 1HB ASP 113 11.768 12.020 10.186 911 H ALA 114 H ALA 114 11.672 9.126 10.501 912 HA ALA 114 HA ALA 114 13.198 9.443 12.881 913 HB1 ALA 114 1HB ALA 114 10.716 8.668 12.511 914 HB2 ALA 114 2HB ALA 114 11.647 8.092 13.893 915 HB3 ALA 114 3HB ALA 114 11.451 7.066 12.472 916 H ASP 115 H ASP 115 13.226 7.139 10.240 917 HA ASP 115 HA ASP 115 15.101 5.385 11.585 918 HB2 ASP 115 2HB ASP 115 13.213 4.811 9.808 919 HB3 ASP 115 1HB ASP 115 14.517 5.138 8.669 920 H TYR 90 1HT TYR 90 7.197 -3.393 -14.991 921 HA TYR 90 HA TYR 90 5.823 -4.986 -16.155 922 HB2 TYR 90 2HB TYR 90 6.880 -6.796 -14.467 923 HB3 TYR 90 1HB TYR 90 5.375 -6.465 -13.618 924 HD1 TYR 90 1HD TYR 90 6.253 -6.820 -17.237 925 HD2 TYR 90 2HD TYR 90 3.856 -8.159 -13.988 926 HE1 TYR 90 1HE TYR 90 5.070 -8.354 -18.751 927 HE2 TYR 90 2HE TYR 90 2.666 -9.698 -15.492 928 HH TYR 90 HH TYR 90 3.756 -10.368 -18.674 929 H ASP 91 H ASP 91 5.339 -4.650 -12.633 930 HA ASP 91 HA ASP 91 2.686 -3.601 -13.026 931 HB2 ASP 91 2HB ASP 91 4.255 -3.703 -10.447 932 HB3 ASP 91 1HB ASP 91 2.507 -3.604 -10.635 933 H SER 92 H SER 92 5.869 -2.329 -12.368 934 HA SER 92 HA SER 92 5.188 0.208 -11.413 935 HB2 SER 92 2HB SER 92 7.496 -0.839 -11.479 936 HB3 SER 92 1HB SER 92 7.563 -0.388 -13.184 937 HG SER 92 HG SER 92 7.066 1.811 -12.372 938 H GLU 93 H GLU 93 5.159 -1.111 -14.637 939 HA GLU 93 HA GLU 93 5.187 1.243 -16.141 940 HB2 GLU 93 2HB GLU 93 5.078 -1.381 -16.757 941 HB3 GLU 93 1HB GLU 93 3.407 -0.935 -17.071 942 HG2 GLU 93 2HG GLU 93 4.059 0.680 -18.688 943 HG3 GLU 93 1HG GLU 93 5.758 0.521 -18.248 944 H GLU 94 H GLU 94 2.362 -0.635 -15.030 945 HA GLU 94 HA GLU 94 0.576 1.532 -15.727 946 HB2 GLU 94 2HB GLU 94 0.050 -1.125 -14.383 947 HB3 GLU 94 1HB GLU 94 -1.194 0.016 -14.874 948 HG2 GLU 94 2HG GLU 94 0.673 -0.740 -17.001 949 HG3 GLU 94 1HG GLU 94 -0.308 -2.063 -16.371 950 H PHE 95 H PHE 95 1.115 -0.306 -12.715 951 HA PHE 95 HA PHE 95 -0.078 1.722 -11.100 952 HB2 PHE 95 2HB PHE 95 0.586 -0.957 -10.764 953 HB3 PHE 95 1HB PHE 95 1.667 -0.113 -9.660 954 HD1 PHE 95 2HD PHE 95 0.287 1.958 -8.447 955 HD2 PHE 95 1HD PHE 95 -1.292 -1.770 -9.757 956 HE1 PHE 95 2HE PHE 95 -1.542 2.164 -6.815 957 HE2 PHE 95 1HE PHE 95 -3.125 -1.571 -8.128 958 HZ PHE 95 HZ PHE 95 -3.251 0.399 -6.654 959 H GLU 96 H GLU 96 0.835 3.365 -9.995 960 HA GLU 96 HA GLU 96 3.763 3.657 -10.187 961 HB2 GLU 96 2HB GLU 96 2.188 5.263 -11.504 962 HB3 GLU 96 1HB GLU 96 1.910 6.002 -9.934 963 HG2 GLU 96 2HG GLU 96 4.003 6.869 -9.811 964 HG3 GLU 96 1HG GLU 96 4.719 5.562 -10.753 965 H ASP 97 H ASP 97 4.887 4.298 -8.392 966 HA ASP 97 HA ASP 97 3.423 4.151 -5.866 967 HB2 ASP 97 2HB ASP 97 5.739 3.975 -4.876 968 HB3 ASP 97 1HB ASP 97 5.289 2.663 -5.962 969 H VAL 98 H VAL 98 4.073 5.620 -4.099 970 HA VAL 98 HA VAL 98 4.832 8.286 -5.100 971 HB VAL 98 HB VAL 98 3.280 9.288 -3.464 972 HG11 VAL 98 1HG1 VAL 98 1.385 9.109 -4.798 973 HG12 VAL 98 2HG1 VAL 98 1.684 7.411 -5.169 974 HG13 VAL 98 3HG1 VAL 98 2.691 8.662 -5.897 975 HG21 VAL 98 3HG2 VAL 98 2.930 6.469 -2.716 976 HG22 VAL 98 1HG2 VAL 98 1.435 7.396 -2.835 977 HG23 VAL 98 2HG2 VAL 98 2.723 7.934 -1.757 978 H THR 99 H THR 99 6.799 8.661 -4.297 979 HA THR 99 HA THR 99 7.161 8.548 -1.409 980 HB THR 99 HB THR 99 9.575 7.569 -2.125 981 HG1 THR 99 1HG THR 99 9.381 6.917 -4.119 982 HG21 THR 99 3HG2 THR 99 7.099 6.272 -1.175 983 HG22 THR 99 1HG2 THR 99 8.700 6.354 -0.439 984 HG23 THR 99 2HG2 THR 99 8.390 5.220 -1.755 985 H ASP 100 H ASP 100 9.673 9.277 -1.067 986 HA ASP 100 HA ASP 100 9.973 11.729 -2.677 987 HB2 ASP 100 2HB ASP 100 10.237 11.224 0.255 988 HB3 ASP 100 1HB ASP 100 11.268 12.448 -0.479 989 H GLY 101 H GLY 101 11.314 10.540 -4.158 990 HA2 GLY 101 2HA GLY 101 14.072 10.299 -3.156 991 HA3 GLY 101 1HA GLY 101 13.374 8.991 -4.100 992 H ASN 102 H ASN 102 12.952 9.313 -6.318 993 HA ASN 102 HA ASN 102 13.422 10.064 -8.412 994 HB2 ASN 102 2HB ASN 102 12.250 12.143 -7.220 995 HB3 ASN 102 1HB ASN 102 13.837 12.861 -7.478 996 HD21 ASN 102 1HD2 ASN 102 14.350 13.599 -9.441 997 HD22 ASN 102 2HD2 ASN 102 13.364 13.432 -10.849 998 H GLU 103 H GLU 103 15.108 11.367 -9.719 999 HA GLU 103 HA GLU 103 17.608 11.949 -8.492 1000 HB2 GLU 103 2HB GLU 103 17.296 9.302 -8.664 1001 HB3 GLU 103 1HB GLU 103 17.870 9.600 -10.299 1002 HG2 GLU 103 2HG GLU 103 19.733 10.963 -9.040 1003 HG3 GLU 103 1HG GLU 103 19.283 9.901 -7.705 1004 H VAL 104 H VAL 104 19.049 12.935 -9.904 1005 HA VAL 104 HA VAL 104 17.874 13.783 -12.426 1006 HB VAL 104 HB VAL 104 19.862 15.322 -12.520 1007 HG11 VAL 104 1HG1 VAL 104 19.058 16.602 -10.370 1008 HG12 VAL 104 2HG1 VAL 104 17.808 15.358 -10.363 1009 HG13 VAL 104 3HG1 VAL 104 17.993 16.414 -11.764 1010 HG21 VAL 104 3HG2 VAL 104 21.303 15.565 -10.656 1011 HG22 VAL 104 1HG2 VAL 104 21.269 13.843 -11.034 1012 HG23 VAL 104 2HG2 VAL 104 20.335 14.466 -9.674 Start of MODEL 17 1 H2 PRO 1 1HT PRO 1 -12.787 13.706 6.708 2 H3 PRO 1 2HT PRO 1 -13.864 12.513 7.063 3 HA PRO 1 HA PRO 1 -12.434 11.139 6.568 4 HB2 PRO 1 2HB PRO 1 -12.064 11.718 3.748 5 HB3 PRO 1 1HB PRO 1 -12.906 10.361 4.508 6 HG2 PRO 1 2HG PRO 1 -14.198 12.347 3.169 7 HG3 PRO 1 1HG PRO 1 -14.925 11.440 4.506 8 HD2 PRO 1 2HD PRO 1 -13.657 14.163 4.531 9 HD3 PRO 1 1HD PRO 1 -15.156 13.618 5.309 10 H SER 2 H SER 2 -10.695 12.041 7.735 11 HA SER 2 HA SER 2 -8.720 13.539 6.155 12 HB2 SER 2 2HB SER 2 -9.438 13.480 9.038 13 HB3 SER 2 1HB SER 2 -7.733 13.711 8.649 14 HG SER 2 HG SER 2 -9.917 15.280 7.739 15 H HIS 3 H HIS 3 -9.245 10.616 7.989 16 HA HIS 3 HA HIS 3 -6.807 9.493 6.875 17 HB2 HIS 3 2HB HIS 3 -5.955 8.705 9.014 18 HB3 HIS 3 1HB HIS 3 -6.100 10.459 9.041 19 HD1 HIS 3 1HD HIS 3 -8.880 10.975 9.919 20 HD2 HIS 3 2HD HIS 3 -6.640 7.837 11.470 21 HE1 HIS 3 1HE HIS 3 -9.931 10.432 12.138 22 HE2 HIS 3 2HE HIS 3 -8.506 8.588 13.096 23 H SER 4 H SER 4 -9.325 8.881 6.097 24 HA SER 4 HA SER 4 -9.444 6.099 6.419 25 HB2 SER 4 2HB SER 4 -11.525 5.862 7.708 26 HB3 SER 4 1HB SER 4 -10.263 6.625 8.675 27 HG SER 4 HG SER 4 -11.274 8.670 7.958 28 H GLY 5 H GLY 5 -10.473 5.285 4.689 29 HA2 GLY 5 2HA GLY 5 -12.729 6.724 3.526 30 HA3 GLY 5 1HA GLY 5 -11.306 6.543 2.509 31 H ALA 6 H ALA 6 -13.861 5.471 1.895 32 HA ALA 6 HA ALA 6 -13.973 2.714 2.601 33 HB1 ALA 6 1HB ALA 6 -15.393 4.414 0.591 34 HB2 ALA 6 2HB ALA 6 -16.031 3.604 2.023 35 HB3 ALA 6 3HB ALA 6 -15.596 2.662 0.596 36 H ALA 7 H ALA 7 -12.432 1.347 2.021 37 HA ALA 7 HA ALA 7 -11.383 1.499 -0.734 38 HB1 ALA 7 1HB ALA 7 -9.288 0.741 0.011 39 HB2 ALA 7 2HB ALA 7 -9.935 0.217 1.564 40 HB3 ALA 7 3HB ALA 7 -9.782 1.938 1.210 41 H ILE 8 H ILE 8 -11.007 -0.459 -1.860 42 HA ILE 8 HA ILE 8 -12.762 -2.632 -0.990 43 HB ILE 8 HB ILE 8 -11.705 -1.785 -3.656 44 HG12 ILE 8 2HG1 ILE 8 -14.382 -2.705 -3.712 45 HG13 ILE 8 1HG1 ILE 8 -14.200 -1.744 -2.249 46 HG21 ILE 8 1HG2 ILE 8 -12.646 -3.880 -4.627 47 HG22 ILE 8 2HG2 ILE 8 -12.741 -4.534 -2.991 48 HG23 ILE 8 3HG2 ILE 8 -11.174 -4.114 -3.683 49 HD11 ILE 8 3HD1 ILE 8 -13.508 0.144 -3.470 50 HD12 ILE 8 1HD1 ILE 8 -14.951 -0.494 -4.257 51 HD13 ILE 8 2HD1 ILE 8 -13.359 -0.794 -4.957 52 H PHE 9 H PHE 9 -12.078 -4.764 -0.832 53 HA PHE 9 HA PHE 9 -9.278 -5.401 -1.300 54 HB2 PHE 9 2HB PHE 9 -9.558 -4.494 1.082 55 HB3 PHE 9 1HB PHE 9 -10.466 -5.965 1.413 56 HD1 PHE 9 1HD PHE 9 -7.304 -5.202 -0.421 57 HD2 PHE 9 2HD PHE 9 -9.237 -7.469 2.618 58 HE1 PHE 9 1HE PHE 9 -5.198 -6.395 0.022 59 HE2 PHE 9 2HE PHE 9 -7.134 -8.666 3.068 60 HZ PHE 9 HZ PHE 9 -5.111 -8.130 1.769 61 H GLU 10 H GLU 10 -9.146 -7.363 -2.185 62 HA GLU 10 HA GLU 10 -9.642 -9.492 -2.812 63 HB2 GLU 10 2HB GLU 10 -11.491 -9.544 -0.423 64 HB3 GLU 10 1HB GLU 10 -10.852 -10.934 -1.288 65 HG2 GLU 10 2HG GLU 10 -8.576 -10.271 -0.588 66 HG3 GLU 10 1HG GLU 10 -9.286 -8.967 0.364 67 H LYS 11 H LYS 11 -11.135 -7.225 -3.799 68 HA LYS 11 HA LYS 11 -12.741 -6.951 -5.396 69 HB2 LYS 11 2HB LYS 11 -13.886 -9.648 -4.689 70 HB3 LYS 11 1HB LYS 11 -14.088 -8.743 -6.183 71 HG2 LYS 11 2HG LYS 11 -12.109 -9.425 -7.028 72 HG3 LYS 11 1HG LYS 11 -11.318 -9.455 -5.451 73 HD2 LYS 11 2HD LYS 11 -13.426 -11.445 -5.670 74 HD3 LYS 11 1HD LYS 11 -12.180 -11.649 -6.903 75 HE2 LYS 11 2HE LYS 11 -11.126 -11.097 -4.231 76 HE3 LYS 11 1HE LYS 11 -12.048 -12.595 -4.338 77 HZ1 LYS 11 3HZ LYS 11 -9.499 -11.896 -5.548 78 HZ2 LYS 11 1HZ LYS 11 -10.547 -12.813 -6.509 79 HZ3 LYS 11 2HZ LYS 11 -10.062 -13.392 -4.996 80 H VAL 12 H VAL 12 -13.230 -7.293 -2.132 81 HA VAL 12 HA VAL 12 -16.058 -6.533 -2.321 82 HB VAL 12 HB VAL 12 -15.485 -8.470 -0.861 83 HG11 VAL 12 1HG1 VAL 12 -13.664 -6.511 0.314 84 HG12 VAL 12 2HG1 VAL 12 -13.612 -8.271 0.336 85 HG13 VAL 12 3HG1 VAL 12 -14.626 -7.405 1.487 86 HG21 VAL 12 3HG2 VAL 12 -16.498 -6.652 1.155 87 HG22 VAL 12 1HG2 VAL 12 -17.308 -7.981 0.325 88 HG23 VAL 12 2HG2 VAL 12 -17.254 -6.383 -0.417 89 H SER 13 H SER 13 -16.807 -4.649 -1.355 90 HA SER 13 HA SER 13 -14.736 -2.645 -0.933 91 HB2 SER 13 2HB SER 13 -16.640 -1.023 -1.022 92 HB3 SER 13 1HB SER 13 -16.458 -1.993 -2.483 93 HG SER 13 HG SER 13 -18.297 -2.981 -2.076 94 H GLY 14 H GLY 14 -14.206 -1.862 0.981 95 HA2 GLY 14 2HA GLY 14 -16.071 -2.262 3.230 96 HA3 GLY 14 1HA GLY 14 -14.372 -2.687 3.380 97 H ILE 15 H ILE 15 -13.785 -1.257 4.938 98 HA ILE 15 HA ILE 15 -13.801 1.569 4.138 99 HB ILE 15 HB ILE 15 -14.206 0.787 7.007 100 HG12 ILE 15 2HG1 ILE 15 -16.055 -0.132 5.548 101 HG13 ILE 15 1HG1 ILE 15 -16.572 0.986 6.805 102 HG21 ILE 15 1HG2 ILE 15 -14.390 3.301 5.401 103 HG22 ILE 15 2HG2 ILE 15 -13.521 2.993 6.912 104 HG23 ILE 15 3HG2 ILE 15 -15.282 3.144 6.916 105 HD11 ILE 15 3HD1 ILE 15 -16.972 2.698 5.252 106 HD12 ILE 15 1HD1 ILE 15 -17.639 1.231 4.532 107 HD13 ILE 15 2HD1 ILE 15 -16.085 1.858 3.978 108 H ILE 16 H ILE 16 -11.799 2.297 4.080 109 HA ILE 16 HA ILE 16 -9.747 0.918 5.638 110 HB ILE 16 HB ILE 16 -9.791 2.299 3.071 111 HG12 ILE 16 2HG1 ILE 16 -7.873 0.397 4.421 112 HG13 ILE 16 1HG1 ILE 16 -9.175 -0.034 3.321 113 HG21 ILE 16 1HG2 ILE 16 -7.430 2.875 4.845 114 HG22 ILE 16 2HG2 ILE 16 -8.631 4.061 4.325 115 HG23 ILE 16 3HG2 ILE 16 -7.594 3.278 3.135 116 HD11 ILE 16 3HD1 ILE 16 -7.773 0.113 1.624 117 HD12 ILE 16 1HD1 ILE 16 -6.480 0.594 2.721 118 HD13 ILE 16 2HD1 ILE 16 -7.512 1.820 1.984 119 H ALA 17 H ALA 17 -9.067 1.759 7.476 120 HA ALA 17 HA ALA 17 -9.167 4.667 7.833 121 HB1 ALA 17 1HB ALA 17 -10.131 2.828 10.000 122 HB2 ALA 17 2HB ALA 17 -11.222 3.487 8.775 123 HB3 ALA 17 3HB ALA 17 -10.342 4.574 9.857 124 H ILE 18 H ILE 18 -7.407 5.482 8.743 125 HA ILE 18 HA ILE 18 -5.256 3.718 9.491 126 HB ILE 18 HB ILE 18 -5.381 6.736 9.508 127 HG12 ILE 18 2HG1 ILE 18 -3.762 6.132 7.450 128 HG13 ILE 18 1HG1 ILE 18 -4.802 4.712 7.412 129 HG21 ILE 18 1HG2 ILE 18 -2.970 4.930 9.611 130 HG22 ILE 18 2HG2 ILE 18 -3.646 5.792 10.993 131 HG23 ILE 18 3HG2 ILE 18 -2.974 6.693 9.635 132 HD11 ILE 18 3HD1 ILE 18 -5.444 6.699 5.959 133 HD12 ILE 18 1HD1 ILE 18 -5.931 7.483 7.461 134 HD13 ILE 18 2HD1 ILE 18 -6.706 5.980 6.960 135 H ASN 19 H ASN 19 -4.732 3.092 11.470 136 HA ASN 19 HA ASN 19 -6.185 4.165 13.751 137 HB2 ASN 19 2HB ASN 19 -5.787 1.671 13.306 138 HB3 ASN 19 1HB ASN 19 -4.129 1.964 13.821 139 HD21 ASN 19 1HD2 ASN 19 -4.792 0.330 15.436 140 HD22 ASN 19 2HD2 ASN 19 -5.532 0.888 16.893 141 H GLU 20 H GLU 20 -5.293 6.173 14.120 142 HA GLU 20 HA GLU 20 -2.412 6.325 14.591 143 HB2 GLU 20 2HB GLU 20 -3.051 8.844 14.905 144 HB3 GLU 20 1HB GLU 20 -2.951 8.150 13.294 145 HG2 GLU 20 2HG GLU 20 -4.912 9.578 13.570 146 HG3 GLU 20 1HG GLU 20 -5.348 7.909 13.208 147 H ASP 21 H ASP 21 -4.325 4.992 16.414 148 HA ASP 21 HA ASP 21 -4.063 6.697 18.790 149 HB2 ASP 21 2HB ASP 21 -5.884 4.400 18.115 150 HB3 ASP 21 1HB ASP 21 -5.635 4.902 19.783 151 H VAL 22 H VAL 22 -2.546 4.162 17.228 152 HA VAL 22 HA VAL 22 -1.566 2.981 19.741 153 HB VAL 22 HB VAL 22 -0.762 1.113 18.426 154 HG11 VAL 22 1HG1 VAL 22 -2.927 0.272 17.534 155 HG12 VAL 22 2HG1 VAL 22 -3.602 1.883 17.779 156 HG13 VAL 22 3HG1 VAL 22 -3.038 0.944 19.161 157 HG21 VAL 22 3HG2 VAL 22 -0.038 2.003 16.397 158 HG22 VAL 22 1HG2 VAL 22 -1.570 2.823 16.095 159 HG23 VAL 22 2HG2 VAL 22 -1.464 1.067 15.948 160 H SER 23 H SER 23 0.853 2.053 19.190 161 HA SER 23 HA SER 23 2.484 4.365 19.175 162 HB2 SER 23 2HB SER 23 2.877 1.494 19.517 163 HB3 SER 23 1HB SER 23 4.203 2.249 18.633 164 HG SER 23 HG SER 23 4.819 2.673 20.623 165 HA PRO 24 HA PRO 24 3.668 3.399 14.720 166 HB2 PRO 24 2HB PRO 24 3.454 0.999 13.637 167 HB3 PRO 24 1HB PRO 24 4.685 1.299 14.872 168 HG2 PRO 24 2HG PRO 24 2.056 -0.098 15.116 169 HG3 PRO 24 1HG PRO 24 3.607 -0.488 15.879 170 HD2 PRO 24 2HD PRO 24 1.498 0.934 17.068 171 HD3 PRO 24 1HD PRO 24 3.169 0.856 17.655 172 H ALA 25 H ALA 25 2.131 4.632 13.741 173 HA ALA 25 HA ALA 25 -0.576 4.225 13.610 174 HB1 ALA 25 1HB ALA 25 1.349 5.861 12.161 175 HB2 ALA 25 2HB ALA 25 -0.260 6.263 12.763 176 HB3 ALA 25 3HB ALA 25 -0.078 5.456 11.205 177 H GLU 26 H GLU 26 -1.768 2.660 12.811 178 HA GLU 26 HA GLU 26 -0.733 1.082 10.549 179 HB2 GLU 26 2HB GLU 26 -2.885 0.215 12.470 180 HB3 GLU 26 1HB GLU 26 -1.949 -0.782 11.366 181 HG2 GLU 26 2HG GLU 26 0.080 -0.237 12.701 182 HG3 GLU 26 1HG GLU 26 -0.967 0.583 13.859 183 H LEU 27 H LEU 27 -2.570 0.012 9.292 184 HA LEU 27 HA LEU 27 -4.734 1.939 8.780 185 HB2 LEU 27 2HB LEU 27 -3.021 1.994 7.009 186 HB3 LEU 27 1HB LEU 27 -3.209 0.270 6.772 187 HG LEU 27 HG LEU 27 -5.770 1.520 6.490 188 HD11 LEU 27 1HD1 LEU 27 -4.188 3.485 5.969 189 HD12 LEU 27 2HD1 LEU 27 -5.466 3.102 4.815 190 HD13 LEU 27 3HD1 LEU 27 -3.808 2.590 4.497 191 HD21 LEU 27 3HD2 LEU 27 -5.923 0.122 4.726 192 HD22 LEU 27 1HD2 LEU 27 -4.487 -0.610 5.448 193 HD23 LEU 27 2HD2 LEU 27 -4.322 0.537 4.116 194 H THR 28 H THR 28 -6.556 0.980 9.513 195 HA THR 28 HA THR 28 -6.804 -1.932 9.220 196 HB THR 28 HB THR 28 -8.585 -0.200 10.910 197 HG1 THR 28 1HG THR 28 -6.063 -1.298 11.591 198 HG21 THR 28 3HG2 THR 28 -7.729 -2.880 11.769 199 HG22 THR 28 1HG2 THR 28 -8.820 -2.813 10.385 200 HG23 THR 28 2HG2 THR 28 -9.294 -2.078 11.916 201 H TRP 29 H TRP 29 -8.005 -2.685 7.637 202 HA TRP 29 HA TRP 29 -10.025 -1.016 6.389 203 HB2 TRP 29 2HB TRP 29 -8.506 -2.133 4.877 204 HB3 TRP 29 1HB TRP 29 -8.839 -3.692 5.628 205 HD1 TRP 29 HD TRP 29 -10.689 -0.985 3.615 206 HE1 TRP 29 1HE TRP 29 -12.522 -2.131 2.197 207 HE3 TRP 29 3HE TRP 29 -10.136 -5.750 5.331 208 HZ2 TRP 29 2HZ TRP 29 -13.588 -4.736 1.879 209 HZ3 TRP 29 3HZ TRP 29 -11.600 -7.512 4.437 210 HH2 TRP 29 HH TRP 29 -13.287 -7.014 2.749 211 H ARG 30 H ARG 30 -11.980 -1.089 7.304 212 HA ARG 30 HA ARG 30 -12.956 -3.669 8.339 213 HB2 ARG 30 2HB ARG 30 -13.461 -0.830 9.138 214 HB3 ARG 30 1HB ARG 30 -14.717 -2.028 9.418 215 HG2 ARG 30 2HG ARG 30 -12.697 -3.355 10.496 216 HG3 ARG 30 1HG ARG 30 -12.062 -1.721 10.698 217 HD2 ARG 30 2HD ARG 30 -13.258 -2.226 12.678 218 HD3 ARG 30 1HD ARG 30 -14.270 -1.120 11.752 219 HE ARG 30 HE ARG 30 -15.833 -2.778 11.541 220 HH11 ARG 30 1HH1 ARG 30 -12.821 -4.191 12.598 221 HH12 ARG 30 2HH1 ARG 30 -13.512 -5.753 12.888 222 HH21 ARG 30 1HH2 ARG 30 -16.743 -4.832 11.924 223 HH22 ARG 30 2HH2 ARG 30 -15.737 -6.117 12.507 224 H SER 31 H SER 31 -14.288 -4.680 6.978 225 HA SER 31 HA SER 31 -15.343 -3.734 4.644 226 HB2 SER 31 2HB SER 31 -17.159 -5.539 4.995 227 HB3 SER 31 1HB SER 31 -15.474 -6.054 4.944 228 HG SER 31 HG SER 31 -16.734 -5.424 7.386 229 H THR 32 H THR 32 -17.695 -3.435 4.076 230 HA THR 32 HA THR 32 -18.732 -1.244 5.584 231 HB THR 32 HB THR 32 -20.624 -2.228 3.692 232 HG1 THR 32 1HG THR 32 -19.398 -2.423 1.885 233 HG21 THR 32 3HG2 THR 32 -20.322 -0.160 2.587 234 HG22 THR 32 1HG2 THR 32 -18.737 0.074 3.326 235 HG23 THR 32 2HG2 THR 32 -20.193 0.153 4.319 236 H ASP 33 H ASP 33 -19.629 -4.557 4.979 237 HA ASP 33 HA ASP 33 -21.981 -4.408 6.614 238 HB2 ASP 33 2HB ASP 33 -20.626 -6.708 5.217 239 HB3 ASP 33 1HB ASP 33 -22.085 -6.897 6.185 240 H GLY 34 H GLY 34 -18.729 -5.651 6.905 241 HA2 GLY 34 2HA GLY 34 -17.655 -5.630 9.075 242 HA3 GLY 34 1HA GLY 34 -19.214 -6.014 9.790 243 H ASP 35 H ASP 35 -18.172 -7.635 6.901 244 HA ASP 35 HA ASP 35 -17.908 -10.110 8.456 245 HB2 ASP 35 2HB ASP 35 -18.437 -11.293 6.383 246 HB3 ASP 35 1HB ASP 35 -19.681 -10.103 6.752 247 H LYS 36 H LYS 36 -16.145 -7.888 6.538 248 HA LYS 36 HA LYS 36 -13.856 -9.738 6.546 249 HB2 LYS 36 2HB LYS 36 -14.552 -7.772 4.357 250 HB3 LYS 36 1HB LYS 36 -13.110 -8.776 4.408 251 HG2 LYS 36 2HG LYS 36 -14.193 -10.590 3.673 252 HG3 LYS 36 1HG LYS 36 -15.624 -10.258 4.651 253 HD2 LYS 36 2HD LYS 36 -15.944 -8.301 2.920 254 HD3 LYS 36 1HD LYS 36 -14.941 -9.336 1.900 255 HE2 LYS 36 2HE LYS 36 -17.123 -10.722 3.288 256 HE3 LYS 36 1HE LYS 36 -17.648 -9.515 2.117 257 HZ1 LYS 36 3HZ LYS 36 -17.439 -11.332 0.782 258 HZ2 LYS 36 1HZ LYS 36 -16.177 -12.011 1.682 259 HZ3 LYS 36 2HZ LYS 36 -15.871 -10.715 0.639 260 H VAL 37 H VAL 37 -11.915 -8.918 7.165 261 HA VAL 37 HA VAL 37 -11.665 -6.040 7.567 262 HB VAL 37 HB VAL 37 -12.407 -7.629 9.682 263 HG11 VAL 37 1HG1 VAL 37 -10.555 -7.881 11.177 264 HG12 VAL 37 2HG1 VAL 37 -9.457 -7.120 10.026 265 HG13 VAL 37 3HG1 VAL 37 -10.159 -8.697 9.665 266 HG21 VAL 37 3HG2 VAL 37 -11.825 -5.693 11.070 267 HG22 VAL 37 1HG2 VAL 37 -12.607 -5.221 9.562 268 HG23 VAL 37 2HG2 VAL 37 -10.862 -5.043 9.742 269 H HIS 38 H HIS 38 -9.469 -5.339 7.964 270 HA HIS 38 HA HIS 38 -7.312 -7.226 7.623 271 HB2 HIS 38 2HB HIS 38 -8.317 -6.538 5.288 272 HB3 HIS 38 1HB HIS 38 -7.403 -5.058 5.558 273 HD1 HIS 38 1HD HIS 38 -6.272 -8.571 6.412 274 HD2 HIS 38 2HD HIS 38 -5.330 -5.460 3.825 275 HE1 HIS 38 1HE HIS 38 -4.146 -9.271 5.266 276 HE2 HIS 38 2HE HIS 38 -3.551 -7.336 3.766 277 H THR 39 H THR 39 -5.299 -6.368 8.203 278 HA THR 39 HA THR 39 -5.334 -3.576 9.142 279 HB THR 39 HB THR 39 -3.750 -5.607 10.645 280 HG1 THR 39 1HG THR 39 -5.595 -6.039 11.928 281 HG21 THR 39 3HG2 THR 39 -3.771 -4.135 12.345 282 HG22 THR 39 1HG2 THR 39 -5.405 -3.574 11.988 283 HG23 THR 39 2HG2 THR 39 -4.043 -2.984 11.036 284 H VAL 40 H VAL 40 -3.634 -2.368 8.589 285 HA VAL 40 HA VAL 40 -1.227 -3.710 7.545 286 HB VAL 40 HB VAL 40 -2.851 -1.546 6.308 287 HG11 VAL 40 1HG1 VAL 40 0.144 -1.718 6.172 288 HG12 VAL 40 2HG1 VAL 40 -0.862 -0.307 6.497 289 HG13 VAL 40 3HG1 VAL 40 -0.810 -0.996 4.874 290 HG21 VAL 40 3HG2 VAL 40 -1.473 -4.048 5.493 291 HG22 VAL 40 1HG2 VAL 40 -1.837 -2.825 4.273 292 HG23 VAL 40 2HG2 VAL 40 -3.146 -3.543 5.214 293 H VAL 41 H VAL 41 0.621 -3.024 8.388 294 HA VAL 41 HA VAL 41 0.454 -0.668 10.121 295 HB VAL 41 HB VAL 41 2.484 -2.904 10.133 296 HG11 VAL 41 1HG1 VAL 41 3.875 -1.356 10.997 297 HG12 VAL 41 2HG1 VAL 41 2.879 -1.499 12.445 298 HG13 VAL 41 3HG1 VAL 41 2.570 -0.207 11.285 299 HG21 VAL 41 3HG2 VAL 41 0.106 -2.171 11.776 300 HG22 VAL 41 1HG2 VAL 41 1.459 -3.009 12.541 301 HG23 VAL 41 2HG2 VAL 41 0.617 -3.753 11.181 302 H LEU 42 H LEU 42 0.957 1.120 9.118 303 HA LEU 42 HA LEU 42 2.404 1.451 6.801 304 HB2 LEU 42 2HB LEU 42 1.901 3.300 9.117 305 HB3 LEU 42 1HB LEU 42 2.799 3.824 7.705 306 HG LEU 42 HG LEU 42 0.554 4.556 7.421 307 HD11 LEU 42 1HD1 LEU 42 0.312 3.899 5.287 308 HD12 LEU 42 2HD1 LEU 42 0.318 2.184 5.703 309 HD13 LEU 42 3HD1 LEU 42 1.841 3.066 5.573 310 HD21 LEU 42 3HD2 LEU 42 -1.380 3.184 7.628 311 HD22 LEU 42 1HD2 LEU 42 -0.406 2.926 9.076 312 HD23 LEU 42 2HD2 LEU 42 -0.403 1.724 7.786 313 H SER 43 H SER 43 3.587 0.923 10.017 314 HA SER 43 HA SER 43 6.191 1.959 9.705 315 HB2 SER 43 2HB SER 43 4.914 1.129 11.847 316 HB3 SER 43 1HB SER 43 5.664 -0.417 11.449 317 HG SER 43 HG SER 43 6.764 1.798 12.557 318 H THR 44 H THR 44 4.712 -1.029 8.761 319 HA THR 44 HA THR 44 7.283 -2.182 7.991 320 HB THR 44 HB THR 44 6.250 -4.251 7.884 321 HG1 THR 44 1HG THR 44 3.766 -2.943 7.490 322 HG21 THR 44 3HG2 THR 44 4.677 -4.524 9.710 323 HG22 THR 44 1HG2 THR 44 4.434 -2.778 9.773 324 HG23 THR 44 2HG2 THR 44 6.008 -3.465 10.180 325 H ILE 45 H ILE 45 4.356 -0.886 6.666 326 HA ILE 45 HA ILE 45 4.402 -1.685 4.055 327 HB ILE 45 HB ILE 45 3.740 1.070 5.100 328 HG12 ILE 45 2HG1 ILE 45 2.316 -0.561 6.108 329 HG13 ILE 45 1HG1 ILE 45 1.383 0.198 4.823 330 HG21 ILE 45 1HG2 ILE 45 4.196 1.120 2.687 331 HG22 ILE 45 2HG2 ILE 45 2.497 1.421 3.047 332 HG23 ILE 45 3HG2 ILE 45 3.004 -0.157 2.446 333 HD11 ILE 45 3HD1 ILE 45 2.490 -1.919 3.523 334 HD12 ILE 45 1HD1 ILE 45 0.882 -1.898 4.246 335 HD13 ILE 45 2HD1 ILE 45 2.243 -2.574 5.142 336 H ASP 46 H ASP 46 6.117 -1.820 2.771 337 HA ASP 46 HA ASP 46 8.445 -0.290 2.947 338 HB2 ASP 46 2HB ASP 46 7.766 -2.519 1.589 339 HB3 ASP 46 1HB ASP 46 7.721 -1.349 0.274 340 H LYS 47 H LYS 47 5.723 0.006 0.658 341 HA LYS 47 HA LYS 47 6.118 2.863 0.526 342 HB2 LYS 47 2HB LYS 47 6.114 1.562 -2.152 343 HB3 LYS 47 1HB LYS 47 6.804 3.098 -1.654 344 HG2 LYS 47 2HG LYS 47 8.653 1.936 -0.578 345 HG3 LYS 47 1HG LYS 47 7.951 0.383 -1.035 346 HD2 LYS 47 2HD LYS 47 8.326 2.284 -3.247 347 HD3 LYS 47 1HD LYS 47 9.815 1.717 -2.489 348 HE2 LYS 47 2HE LYS 47 9.510 -0.433 -3.176 349 HE3 LYS 47 1HE LYS 47 7.752 -0.314 -3.123 350 HZ1 LYS 47 3HZ LYS 47 7.646 0.419 -5.235 351 HZ2 LYS 47 1HZ LYS 47 9.142 -0.361 -5.379 352 HZ3 LYS 47 2HZ LYS 47 9.080 1.311 -5.132 353 H LEU 48 H LEU 48 4.508 3.840 -1.076 354 HA LEU 48 HA LEU 48 1.972 2.359 -0.847 355 HB2 LEU 48 2HB LEU 48 2.686 4.977 -0.083 356 HB3 LEU 48 1HB LEU 48 1.647 5.154 -1.484 357 HG LEU 48 HG LEU 48 0.119 3.459 -0.142 358 HD11 LEU 48 1HD1 LEU 48 1.947 3.351 1.653 359 HD12 LEU 48 2HD1 LEU 48 0.280 3.569 2.181 360 HD13 LEU 48 3HD1 LEU 48 1.376 4.947 2.135 361 HD21 LEU 48 3HD2 LEU 48 -0.085 6.022 -0.805 362 HD22 LEU 48 1HD2 LEU 48 0.064 6.222 0.941 363 HD23 LEU 48 2HD2 LEU 48 -1.239 5.238 0.274 364 H GLN 49 H GLN 49 0.388 2.787 -2.622 365 HA GLN 49 HA GLN 49 1.601 3.555 -5.163 366 HB2 GLN 49 2HB GLN 49 1.361 0.873 -4.441 367 HB3 GLN 49 1HB GLN 49 -0.004 1.161 -5.510 368 HG2 GLN 49 2HG GLN 49 1.294 1.373 -7.324 369 HG3 GLN 49 1HG GLN 49 2.549 2.253 -6.453 370 HE21 GLN 49 1HE2 GLN 49 2.868 0.136 -8.378 371 HE22 GLN 49 2HE2 GLN 49 3.700 -1.155 -7.567 372 H ALA 50 H ALA 50 0.226 4.539 -6.534 373 HA ALA 50 HA ALA 50 -2.647 4.262 -6.190 374 HB1 ALA 50 1HB ALA 50 -3.020 6.675 -6.004 375 HB2 ALA 50 2HB ALA 50 -1.278 6.932 -5.911 376 HB3 ALA 50 3HB ALA 50 -2.108 6.046 -4.632 377 H THR 51 H THR 51 -3.675 4.339 -8.077 378 HA THR 51 HA THR 51 -2.319 4.402 -10.522 379 HB THR 51 HB THR 51 -4.727 4.822 -11.430 380 HG1 THR 51 1HG THR 51 -5.644 5.609 -9.541 381 HG21 THR 51 3HG2 THR 51 -5.389 2.454 -10.399 382 HG22 THR 51 1HG2 THR 51 -3.658 2.439 -10.066 383 HG23 THR 51 2HG2 THR 51 -4.236 2.645 -11.719 384 HA PRO 52 HA PRO 52 -1.447 8.850 -10.607 385 HB2 PRO 52 2HB PRO 52 -0.480 8.588 -13.219 386 HB3 PRO 52 1HB PRO 52 0.486 8.495 -11.743 387 HG2 PRO 52 2HG PRO 52 -0.738 6.283 -13.343 388 HG3 PRO 52 1HG PRO 52 0.877 6.370 -12.613 389 HD2 PRO 52 2HD PRO 52 -0.986 4.945 -11.450 390 HD3 PRO 52 1HD PRO 52 0.019 6.024 -10.453 391 H ALA 53 H ALA 53 -2.111 10.598 -12.037 392 HA ALA 53 HA ALA 53 -4.793 10.488 -12.776 393 HB1 ALA 53 1HB ALA 53 -4.584 12.686 -13.360 394 HB2 ALA 53 2HB ALA 53 -3.017 12.448 -14.133 395 HB3 ALA 53 3HB ALA 53 -3.133 12.500 -12.374 396 H SER 54 H SER 54 -2.026 9.372 -14.481 397 HA SER 54 HA SER 54 -3.101 9.619 -17.118 398 HB2 SER 54 2HB SER 54 -0.900 7.773 -16.172 399 HB3 SER 54 1HB SER 54 -1.200 8.305 -17.826 400 HG SER 54 HG SER 54 0.002 9.956 -17.393 401 H SER 55 H SER 55 -3.501 7.389 -14.544 402 HA SER 55 HA SER 55 -4.645 5.373 -16.341 403 HB2 SER 55 2HB SER 55 -2.926 4.758 -14.544 404 HB3 SER 55 1HB SER 55 -4.211 5.055 -13.373 405 HG SER 55 HG SER 55 -4.447 2.956 -13.814 406 H GLU 56 H GLU 56 -6.726 5.735 -16.765 407 HA GLU 56 HA GLU 56 -8.483 7.257 -15.220 408 HB2 GLU 56 2HB GLU 56 -8.618 6.326 -17.696 409 HB3 GLU 56 1HB GLU 56 -9.561 5.060 -16.922 410 HG2 GLU 56 2HG GLU 56 -11.108 6.655 -17.679 411 HG3 GLU 56 1HG GLU 56 -10.987 6.888 -15.935 412 H LYS 57 H LYS 57 -7.449 4.007 -14.853 413 HA LYS 57 HA LYS 57 -9.712 3.196 -13.246 414 HB2 LYS 57 2HB LYS 57 -7.103 1.714 -13.418 415 HB3 LYS 57 1HB LYS 57 -8.716 1.071 -13.141 416 HG2 LYS 57 2HG LYS 57 -7.607 2.146 -15.723 417 HG3 LYS 57 1HG LYS 57 -8.016 0.471 -15.345 418 HD2 LYS 57 2HD LYS 57 -9.962 2.773 -15.486 419 HD3 LYS 57 1HD LYS 57 -9.740 1.536 -16.724 420 HE2 LYS 57 2HE LYS 57 -10.186 -0.050 -14.624 421 HE3 LYS 57 1HE LYS 57 -11.076 1.374 -14.085 422 HZ1 LYS 57 3HZ LYS 57 -12.503 1.259 -15.907 423 HZ2 LYS 57 1HZ LYS 57 -12.333 -0.356 -15.429 424 HZ3 LYS 57 2HZ LYS 57 -11.488 0.222 -16.775 425 H MET 58 H MET 58 -9.933 3.852 -11.222 426 HA MET 58 HA MET 58 -7.695 4.865 -9.713 427 HB2 MET 58 2HB MET 58 -10.517 4.419 -8.740 428 HB3 MET 58 1HB MET 58 -9.309 5.498 -8.056 429 HG2 MET 58 2HG MET 58 -9.551 6.341 -10.680 430 HG3 MET 58 1HG MET 58 -11.200 5.943 -10.202 431 HE1 MET 58 3HE MET 58 -7.961 7.615 -8.849 432 HE2 MET 58 1HE MET 58 -8.522 9.246 -8.487 433 HE3 MET 58 2HE MET 58 -8.490 8.675 -10.155 434 H MET 59 H MET 59 -6.371 3.604 -8.594 435 HA MET 59 HA MET 59 -7.385 1.546 -6.858 436 HB2 MET 59 2HB MET 59 -6.200 0.886 -9.463 437 HB3 MET 59 1HB MET 59 -5.464 0.041 -8.109 438 HG2 MET 59 2HG MET 59 -7.346 -1.152 -7.646 439 HG3 MET 59 1HG MET 59 -8.425 0.091 -8.275 440 HE1 MET 59 3HE MET 59 -5.827 -2.119 -11.340 441 HE2 MET 59 1HE MET 59 -5.506 -2.339 -9.621 442 HE3 MET 59 2HE MET 59 -5.364 -0.737 -10.346 443 H LEU 60 H LEU 60 -6.025 1.147 -5.167 444 HA LEU 60 HA LEU 60 -3.361 2.405 -5.282 445 HB2 LEU 60 2HB LEU 60 -5.543 2.675 -3.314 446 HB3 LEU 60 1HB LEU 60 -3.940 2.474 -2.634 447 HG LEU 60 HG LEU 60 -3.364 4.408 -4.366 448 HD11 LEU 60 1HD1 LEU 60 -6.116 5.261 -3.597 449 HD12 LEU 60 2HD1 LEU 60 -5.879 4.287 -5.049 450 HD13 LEU 60 3HD1 LEU 60 -5.075 5.849 -4.893 451 HD21 LEU 60 3HD2 LEU 60 -4.630 4.702 -1.651 452 HD22 LEU 60 1HD2 LEU 60 -3.850 6.029 -2.513 453 HD23 LEU 60 2HD2 LEU 60 -2.912 4.612 -2.040 454 H ARG 61 H ARG 61 -1.658 1.287 -4.416 455 HA ARG 61 HA ARG 61 -2.258 -1.398 -3.356 456 HB2 ARG 61 2HB ARG 61 0.329 -0.811 -4.739 457 HB3 ARG 61 1HB ARG 61 -0.509 -2.342 -4.553 458 HG2 ARG 61 2HG ARG 61 -2.092 -1.777 -6.233 459 HG3 ARG 61 1HG ARG 61 -1.520 -0.109 -6.293 460 HD2 ARG 61 2HD ARG 61 -0.394 -0.911 -8.094 461 HD3 ARG 61 1HD ARG 61 0.775 -1.338 -6.845 462 HE ARG 61 HE ARG 61 -1.108 -3.427 -7.261 463 HH11 ARG 61 1HH1 ARG 61 1.752 -1.957 -8.618 464 HH12 ARG 61 2HH1 ARG 61 2.272 -3.406 -9.411 465 HH21 ARG 61 1HH2 ARG 61 -0.426 -5.333 -8.304 466 HH22 ARG 61 2HH2 ARG 61 1.036 -5.323 -9.234 467 H LEU 62 H LEU 62 -0.860 -2.231 -1.749 468 HA LEU 62 HA LEU 62 0.809 -0.211 -0.409 469 HB2 LEU 62 2HB LEU 62 -1.583 -1.026 0.540 470 HB3 LEU 62 1HB LEU 62 -0.537 -2.218 1.281 471 HG LEU 62 HG LEU 62 0.315 -0.744 2.765 472 HD11 LEU 62 1HD1 LEU 62 0.705 1.662 2.288 473 HD12 LEU 62 2HD1 LEU 62 0.148 1.375 0.638 474 HD13 LEU 62 3HD1 LEU 62 1.595 0.562 1.236 475 HD21 LEU 62 3HD2 LEU 62 -2.093 0.802 1.853 476 HD22 LEU 62 1HD2 LEU 62 -1.277 0.992 3.404 477 HD23 LEU 62 2HD2 LEU 62 -2.089 -0.525 3.016 478 H ILE 63 H ILE 63 2.855 -0.889 -0.531 479 HA ILE 63 HA ILE 63 3.477 -3.723 -0.628 480 HB ILE 63 HB ILE 63 5.316 -1.326 -0.741 481 HG12 ILE 63 2HG1 ILE 63 3.792 -1.445 -2.656 482 HG13 ILE 63 1HG1 ILE 63 5.441 -1.823 -3.146 483 HG21 ILE 63 1HG2 ILE 63 6.432 -3.352 0.082 484 HG22 ILE 63 2HG2 ILE 63 7.019 -2.878 -1.512 485 HG23 ILE 63 3HG2 ILE 63 5.889 -4.223 -1.353 486 HD11 ILE 63 3HD1 ILE 63 4.968 -4.055 -3.477 487 HD12 ILE 63 1HD1 ILE 63 3.493 -3.260 -4.028 488 HD13 ILE 63 2HD1 ILE 63 3.546 -4.012 -2.434 489 H GLY 64 H GLY 64 4.392 -4.896 0.957 490 HA2 GLY 64 2HA GLY 64 4.628 -3.590 3.582 491 HA3 GLY 64 1HA GLY 64 4.414 -5.312 3.309 492 H LYS 65 H LYS 65 6.328 -4.392 5.064 493 HA LYS 65 HA LYS 65 8.883 -4.021 3.947 494 HB2 LYS 65 2HB LYS 65 7.864 -3.949 6.470 495 HB3 LYS 65 1HB LYS 65 8.763 -5.459 6.521 496 HG2 LYS 65 2HG LYS 65 10.146 -3.651 7.305 497 HG3 LYS 65 1HG LYS 65 10.777 -4.264 5.775 498 HD2 LYS 65 2HD LYS 65 10.816 -2.107 5.159 499 HD3 LYS 65 1HD LYS 65 9.077 -2.304 4.931 500 HE2 LYS 65 2HE LYS 65 9.198 -1.772 7.588 501 HE3 LYS 65 1HE LYS 65 10.565 -0.828 6.995 502 HZ1 LYS 65 3HZ LYS 65 8.069 0.074 7.032 503 HZ2 LYS 65 1HZ LYS 65 8.099 -0.591 5.476 504 HZ3 LYS 65 2HZ LYS 65 9.222 0.596 5.911 505 H VAL 66 H VAL 66 10.534 -5.430 3.439 506 HA VAL 66 HA VAL 66 9.790 -8.231 3.161 507 HB VAL 66 HB VAL 66 10.191 -6.999 1.084 508 HG11 VAL 66 1HG1 VAL 66 12.502 -6.059 2.519 509 HG12 VAL 66 2HG1 VAL 66 11.766 -5.448 1.037 510 HG13 VAL 66 3HG1 VAL 66 12.956 -6.747 0.960 511 HG21 VAL 66 3HG2 VAL 66 12.361 -8.602 0.541 512 HG22 VAL 66 1HG2 VAL 66 10.667 -9.082 0.448 513 HG23 VAL 66 2HG2 VAL 66 11.596 -9.408 1.911 514 H ASP 67 H ASP 67 12.887 -8.036 2.573 515 HA ASP 67 HA ASP 67 14.171 -7.839 5.047 516 HB2 ASP 67 2HB ASP 67 14.571 -10.210 5.554 517 HB3 ASP 67 1HB ASP 67 12.854 -9.822 5.627 518 H GLU 68 H GLU 68 16.376 -7.971 4.848 519 HA GLU 68 HA GLU 68 17.368 -8.548 2.143 520 HB2 GLU 68 2HB GLU 68 18.639 -6.875 4.316 521 HB3 GLU 68 1HB GLU 68 19.257 -7.090 2.683 522 HG2 GLU 68 2HG GLU 68 17.695 -5.712 1.757 523 HG3 GLU 68 1HG GLU 68 16.502 -6.036 3.014 524 H SER 69 H SER 69 17.541 -9.534 5.424 525 HA SER 69 HA SER 69 20.075 -10.853 5.259 526 HB2 SER 69 2HB SER 69 17.827 -11.194 7.257 527 HB3 SER 69 1HB SER 69 19.461 -11.833 7.437 528 HG SER 69 HG SER 69 20.158 -9.913 7.970 529 H LYS 70 H LYS 70 16.866 -11.636 4.337 530 HA LYS 70 HA LYS 70 17.604 -14.468 4.019 531 HB2 LYS 70 2HB LYS 70 14.984 -13.093 4.483 532 HB3 LYS 70 1HB LYS 70 15.012 -14.643 3.654 533 HG2 LYS 70 2HG LYS 70 16.530 -14.469 6.181 534 HG3 LYS 70 1HG LYS 70 14.770 -14.403 6.299 535 HD2 LYS 70 2HD LYS 70 14.610 -16.491 5.027 536 HD3 LYS 70 1HD LYS 70 16.370 -16.555 4.913 537 HE2 LYS 70 2HE LYS 70 16.238 -16.392 7.523 538 HE3 LYS 70 1HE LYS 70 14.599 -16.990 7.276 539 HZ1 LYS 70 3HZ LYS 70 17.147 -18.314 6.554 540 HZ2 LYS 70 1HZ LYS 70 15.657 -18.821 5.932 541 HZ3 LYS 70 2HZ LYS 70 15.941 -18.873 7.598 542 H LYS 71 H LYS 71 18.811 -13.335 2.125 543 HA LYS 71 HA LYS 71 17.164 -12.697 -0.159 544 HB2 LYS 71 2HB LYS 71 20.158 -13.027 0.110 545 HB3 LYS 71 1HB LYS 71 19.338 -12.468 -1.342 546 HG2 LYS 71 2HG LYS 71 18.362 -10.785 0.598 547 HG3 LYS 71 1HG LYS 71 20.041 -11.025 1.083 548 HD2 LYS 71 2HD LYS 71 19.332 -10.376 -1.758 549 HD3 LYS 71 1HD LYS 71 19.483 -9.101 -0.546 550 HE2 LYS 71 2HE LYS 71 21.746 -9.466 -0.253 551 HE3 LYS 71 1HE LYS 71 21.660 -11.125 -0.845 552 HZ1 LYS 71 3HZ LYS 71 21.175 -8.803 -2.615 553 HZ2 LYS 71 1HZ LYS 71 21.535 -10.399 -3.051 554 HZ3 LYS 71 2HZ LYS 71 22.728 -9.422 -2.356 555 H ARG 72 H ARG 72 18.117 -13.786 -2.318 556 HA ARG 72 HA ARG 72 18.875 -16.484 -2.263 557 HB2 ARG 72 2HB ARG 72 16.790 -17.600 -2.832 558 HB3 ARG 72 1HB ARG 72 16.647 -16.814 -1.266 559 HG2 ARG 72 2HG ARG 72 14.805 -15.826 -1.986 560 HG3 ARG 72 1HG ARG 72 15.782 -14.928 -3.148 561 HD2 ARG 72 2HD ARG 72 14.541 -15.937 -4.711 562 HD3 ARG 72 1HD ARG 72 15.512 -17.368 -4.365 563 HE ARG 72 HE ARG 72 13.347 -17.248 -2.571 564 HH11 ARG 72 1HH1 ARG 72 14.024 -17.855 -5.941 565 HH12 ARG 72 2HH1 ARG 72 12.656 -18.893 -6.157 566 HH21 ARG 72 1HH2 ARG 72 11.547 -18.613 -2.854 567 HH22 ARG 72 2HH2 ARG 72 11.249 -19.323 -4.406 568 H LYS 73 H LYS 73 18.469 -17.562 -4.442 569 HA LYS 73 HA LYS 73 19.091 -15.626 -6.498 570 HB2 LYS 73 2HB LYS 73 19.176 -18.605 -6.278 571 HB3 LYS 73 1HB LYS 73 19.158 -17.875 -7.877 572 HG2 LYS 73 2HG LYS 73 21.422 -18.224 -7.338 573 HG3 LYS 73 1HG LYS 73 21.135 -16.495 -7.138 574 HD2 LYS 73 2HD LYS 73 21.311 -16.592 -4.851 575 HD3 LYS 73 1HD LYS 73 20.794 -18.278 -4.777 576 HE2 LYS 73 2HE LYS 73 22.955 -18.951 -5.758 577 HE3 LYS 73 1HE LYS 73 23.467 -17.264 -5.742 578 HZ1 LYS 73 3HZ LYS 73 23.485 -17.229 -3.413 579 HZ2 LYS 73 1HZ LYS 73 24.217 -18.698 -3.822 580 HZ3 LYS 73 2HZ LYS 73 22.614 -18.672 -3.282 581 H ASP 74 H ASP 74 18.109 -16.437 -8.787 582 HA ASP 74 HA ASP 74 15.184 -16.515 -8.432 583 HB2 ASP 74 2HB ASP 74 16.332 -14.309 -9.251 584 HB3 ASP 74 1HB ASP 74 16.450 -15.160 -10.788 585 H ASN 75 H ASN 75 17.069 -18.717 -8.878 586 HA ASN 75 HA ASN 75 16.971 -20.711 -9.990 587 HB2 ASN 75 2HB ASN 75 14.516 -19.960 -10.394 588 HB3 ASN 75 1HB ASN 75 15.075 -19.574 -12.019 589 HD21 ASN 75 1HD2 ASN 75 15.646 -21.217 -13.411 590 HD22 ASN 75 2HD2 ASN 75 15.273 -22.875 -13.098 591 H GLU 76 H GLU 76 18.121 -17.867 -11.150 592 HA GLU 76 HA GLU 76 19.127 -19.034 -13.644 593 HB2 GLU 76 2HB GLU 76 19.632 -16.185 -13.005 594 HB3 GLU 76 1HB GLU 76 19.247 -16.935 -14.546 595 HG2 GLU 76 2HG GLU 76 16.912 -17.122 -13.881 596 HG3 GLU 76 1HG GLU 76 17.298 -16.406 -12.316 597 H GLY 77 H GLY 77 20.033 -17.755 -10.560 598 HA2 GLY 77 2HA GLY 77 22.089 -18.704 -9.589 599 HA3 GLY 77 1HA GLY 77 22.849 -18.432 -11.149 600 H ASN 78 H ASN 78 20.678 -16.074 -9.791 601 HA ASN 78 HA ASN 78 22.980 -14.387 -9.069 602 HB2 ASN 78 2HB ASN 78 20.556 -13.673 -10.708 603 HB3 ASN 78 1HB ASN 78 21.512 -12.443 -9.886 604 HD21 ASN 78 1HD2 ASN 78 21.392 -12.085 -12.444 605 HD22 ASN 78 2HD2 ASN 78 22.837 -12.593 -13.263 606 H GLU 79 H GLU 79 22.920 -13.963 -6.972 607 HA GLU 79 HA GLU 79 20.724 -14.420 -5.298 608 HB2 GLU 79 2HB GLU 79 22.047 -13.020 -3.637 609 HB3 GLU 79 1HB GLU 79 22.863 -14.431 -4.297 610 HG2 GLU 79 2HG GLU 79 23.301 -11.976 -5.822 611 HG3 GLU 79 1HG GLU 79 23.907 -11.922 -4.167 612 H VAL 80 H VAL 80 18.855 -13.387 -5.818 613 HA VAL 80 HA VAL 80 18.896 -10.478 -6.149 614 HB VAL 80 HB VAL 80 16.605 -10.674 -6.943 615 HG11 VAL 80 1HG1 VAL 80 17.188 -11.361 -9.015 616 HG12 VAL 80 2HG1 VAL 80 17.858 -12.888 -8.439 617 HG13 VAL 80 3HG1 VAL 80 18.801 -11.404 -8.303 618 HG21 VAL 80 3HG2 VAL 80 16.913 -13.577 -6.209 619 HG22 VAL 80 1HG2 VAL 80 15.651 -12.983 -7.289 620 HG23 VAL 80 2HG2 VAL 80 15.715 -12.428 -5.616 621 H VAL 81 H VAL 81 16.526 -9.638 -5.285 622 HA VAL 81 HA VAL 81 16.553 -10.275 -2.410 623 HB VAL 81 HB VAL 81 15.611 -7.697 -3.666 624 HG11 VAL 81 1HG1 VAL 81 14.726 -8.414 -1.400 625 HG12 VAL 81 2HG1 VAL 81 15.506 -6.832 -1.475 626 HG13 VAL 81 3HG1 VAL 81 16.375 -8.213 -0.804 627 HG21 VAL 81 3HG2 VAL 81 18.308 -8.603 -2.848 628 HG22 VAL 81 1HG2 VAL 81 17.840 -6.966 -2.385 629 HG23 VAL 81 2HG2 VAL 81 17.827 -7.440 -4.084 630 HA PRO 82 HA PRO 82 12.480 -12.017 -3.009 631 HB2 PRO 82 2HB PRO 82 12.210 -11.254 -0.142 632 HB3 PRO 82 1HB PRO 82 11.898 -12.806 -0.928 633 HG2 PRO 82 2HG PRO 82 14.086 -12.448 0.543 634 HG3 PRO 82 1HG PRO 82 14.143 -13.391 -0.958 635 HD2 PRO 82 2HD PRO 82 15.092 -10.611 -0.426 636 HD3 PRO 82 1HD PRO 82 15.797 -11.866 -1.466 637 H LYS 83 H LYS 83 10.791 -10.993 -3.864 638 HA LYS 83 HA LYS 83 10.383 -8.232 -3.721 639 HB2 LYS 83 2HB LYS 83 8.135 -8.744 -4.720 640 HB3 LYS 83 1HB LYS 83 9.501 -9.439 -5.582 641 HG2 LYS 83 2HG LYS 83 8.843 -11.445 -3.847 642 HG3 LYS 83 1HG LYS 83 7.268 -10.745 -4.230 643 HD2 LYS 83 2HD LYS 83 8.129 -10.858 -6.690 644 HD3 LYS 83 1HD LYS 83 9.257 -12.050 -6.040 645 HE2 LYS 83 2HE LYS 83 7.052 -13.037 -4.977 646 HE3 LYS 83 1HE LYS 83 6.296 -12.181 -6.320 647 HZ1 LYS 83 3HZ LYS 83 6.824 -14.472 -6.893 648 HZ2 LYS 83 1HZ LYS 83 8.462 -14.198 -6.570 649 HZ3 LYS 83 2HZ LYS 83 7.707 -13.393 -7.851 650 HA PRO 84 HA PRO 84 8.276 -7.824 0.160 651 HB2 PRO 84 2HB PRO 84 7.330 -5.334 -0.093 652 HB3 PRO 84 1HB PRO 84 9.061 -5.657 0.079 653 HG2 PRO 84 2HG PRO 84 7.476 -5.119 -2.400 654 HG3 PRO 84 1HG PRO 84 9.037 -4.439 -1.907 655 HD2 PRO 84 2HD PRO 84 8.810 -6.494 -3.673 656 HD3 PRO 84 1HD PRO 84 10.203 -6.303 -2.588 657 H GLN 85 H GLN 85 6.109 -7.322 1.052 658 HA GLN 85 HA GLN 85 4.080 -8.723 -0.279 659 HB2 GLN 85 2HB GLN 85 3.754 -6.675 1.922 660 HB3 GLN 85 1HB GLN 85 2.594 -7.919 1.479 661 HG2 GLN 85 2HG GLN 85 4.837 -9.390 1.968 662 HG3 GLN 85 1HG GLN 85 4.989 -8.081 3.140 663 HE21 GLN 85 1HE2 GLN 85 4.462 -10.931 3.540 664 HE22 GLN 85 2HE2 GLN 85 2.967 -11.018 4.420 665 H ARG 86 H ARG 86 1.802 -7.599 -0.539 666 HA ARG 86 HA ARG 86 1.793 -4.923 -1.510 667 HB2 ARG 86 2HB ARG 86 1.085 -5.774 -3.896 668 HB3 ARG 86 1HB ARG 86 2.777 -5.521 -3.496 669 HG2 ARG 86 2HG ARG 86 3.045 -7.903 -3.069 670 HG3 ARG 86 1HG ARG 86 1.340 -8.167 -3.438 671 HD2 ARG 86 2HD ARG 86 1.634 -7.665 -5.702 672 HD3 ARG 86 1HD ARG 86 3.176 -6.861 -5.416 673 HE ARG 86 HE ARG 86 3.190 -9.658 -4.755 674 HH11 ARG 86 1HH1 ARG 86 3.614 -7.321 -7.311 675 HH12 ARG 86 2HH1 ARG 86 4.607 -8.365 -8.271 676 HH21 ARG 86 1HH2 ARG 86 4.498 -11.033 -6.015 677 HH22 ARG 86 2HH2 ARG 86 5.109 -10.473 -7.535 678 H HIS 87 H HIS 87 -0.105 -4.346 -0.687 679 HA HIS 87 HA HIS 87 -2.358 -6.201 -0.762 680 HB2 HIS 87 2HB HIS 87 -2.116 -3.480 0.544 681 HB3 HIS 87 1HB HIS 87 -3.470 -4.590 0.724 682 HD1 HIS 87 1HD HIS 87 -2.531 -7.105 1.652 683 HD2 HIS 87 2HD HIS 87 -0.428 -3.659 2.633 684 HE1 HIS 87 1HE HIS 87 -1.156 -7.709 3.669 685 HE2 HIS 87 2HE HIS 87 0.041 -5.582 4.297 686 H MET 88 H MET 88 -3.829 -6.106 -2.324 687 HA MET 88 HA MET 88 -3.813 -3.870 -4.170 688 HB2 MET 88 2HB MET 88 -3.898 -6.205 -4.989 689 HB3 MET 88 1HB MET 88 -5.466 -6.400 -4.220 690 HG2 MET 88 2HG MET 88 -6.278 -5.837 -6.218 691 HG3 MET 88 1HG MET 88 -5.895 -4.188 -5.726 692 HE1 MET 88 3HE MET 88 -3.009 -3.105 -7.825 693 HE2 MET 88 1HE MET 88 -3.622 -3.068 -6.173 694 HE3 MET 88 2HE MET 88 -4.688 -2.661 -7.517 695 H PHE 89 H PHE 89 -4.940 -2.124 -3.654 696 HA PHE 89 HA PHE 89 -7.626 -2.480 -2.493 697 HB2 PHE 89 2HB PHE 89 -5.695 -0.184 -2.099 698 HB3 PHE 89 1HB PHE 89 -7.340 -0.236 -1.475 699 HD1 PHE 89 2HD PHE 89 -7.886 -2.359 -0.011 700 HD2 PHE 89 1HD PHE 89 -3.978 -0.833 -0.724 701 HE1 PHE 89 2HE PHE 89 -7.079 -3.486 2.020 702 HE2 PHE 89 1HE PHE 89 -3.165 -1.958 1.306 703 HZ PHE 89 HZ PHE 89 -4.716 -3.287 2.682 704 H SER 90 H SER 90 -9.295 -1.667 -3.612 705 HA SER 90 HA SER 90 -8.674 0.058 -5.920 706 HB2 SER 90 2HB SER 90 -9.500 -2.136 -6.609 707 HB3 SER 90 1HB SER 90 -10.926 -1.938 -5.591 708 HG SER 90 HG SER 90 -11.524 -0.168 -6.901 709 H PHE 91 H PHE 91 -9.280 2.089 -5.615 710 HA PHE 91 HA PHE 91 -11.512 2.662 -3.806 711 HB2 PHE 91 2HB PHE 91 -9.372 4.447 -4.979 712 HB3 PHE 91 1HB PHE 91 -10.685 5.024 -3.956 713 HD1 PHE 91 1HD PHE 91 -8.111 2.319 -3.908 714 HD2 PHE 91 2HD PHE 91 -10.180 5.344 -1.747 715 HE1 PHE 91 1HE PHE 91 -6.782 1.793 -1.908 716 HE2 PHE 91 2HE PHE 91 -8.856 4.822 0.259 717 HZ PHE 91 HZ PHE 91 -7.152 3.047 0.181 718 H ASN 92 H ASN 92 -13.399 3.522 -4.471 719 HA ASN 92 HA ASN 92 -13.776 3.821 -7.358 720 HB2 ASN 92 2HB ASN 92 -15.713 3.434 -5.077 721 HB3 ASN 92 1HB ASN 92 -16.235 3.808 -6.717 722 HD21 ASN 92 1HD2 ASN 92 -17.318 1.863 -6.928 723 HD22 ASN 92 2HD2 ASN 92 -16.489 0.360 -7.124 724 H ASN 93 H ASN 93 -12.474 5.884 -5.729 725 HA ASN 93 HA ASN 93 -14.034 8.124 -6.669 726 HB2 ASN 93 2HB ASN 93 -14.006 7.361 -3.845 727 HB3 ASN 93 1HB ASN 93 -13.478 9.020 -4.112 728 HD21 ASN 93 1HD2 ASN 93 -14.927 10.541 -4.737 729 HD22 ASN 93 2HD2 ASN 93 -16.632 10.244 -4.879 730 H ARG 94 H ARG 94 -12.829 10.059 -6.802 731 HA ARG 94 HA ARG 94 -9.979 9.610 -6.997 732 HB2 ARG 94 2HB ARG 94 -10.016 12.025 -7.835 733 HB3 ARG 94 1HB ARG 94 -10.845 10.823 -8.812 734 HG2 ARG 94 2HG ARG 94 -12.563 12.096 -6.825 735 HG3 ARG 94 1HG ARG 94 -11.883 13.219 -8.006 736 HD2 ARG 94 2HD ARG 94 -12.660 11.609 -9.792 737 HD3 ARG 94 1HD ARG 94 -13.549 10.765 -8.525 738 HE ARG 94 HE ARG 94 -14.389 13.319 -8.262 739 HH11 ARG 94 1HH1 ARG 94 -14.193 11.149 -10.989 740 HH12 ARG 94 2HH1 ARG 94 -15.551 11.849 -11.804 741 HH21 ARG 94 1HH2 ARG 94 -16.175 14.242 -9.332 742 HH22 ARG 94 2HH2 ARG 94 -16.676 13.606 -10.864 743 H THR 95 H THR 95 -12.198 11.463 -4.988 744 HA THR 95 HA THR 95 -10.209 12.957 -3.647 745 HB THR 95 HB THR 95 -12.734 12.487 -2.285 746 HG1 THR 95 1HG THR 95 -12.724 13.536 -4.905 747 HG21 THR 95 3HG2 THR 95 -11.242 14.389 -1.806 748 HG22 THR 95 1HG2 THR 95 -12.882 14.869 -2.244 749 HG23 THR 95 2HG2 THR 95 -11.581 14.996 -3.427 750 H VAL 96 H VAL 96 -11.923 9.941 -2.979 751 HA VAL 96 HA VAL 96 -11.109 9.593 -0.330 752 HB VAL 96 HB VAL 96 -12.856 8.215 -1.315 753 HG11 VAL 96 1HG1 VAL 96 -10.711 6.788 -2.872 754 HG12 VAL 96 2HG1 VAL 96 -11.768 8.020 -3.557 755 HG13 VAL 96 3HG1 VAL 96 -12.452 6.518 -2.936 756 HG21 VAL 96 3HG2 VAL 96 -10.469 6.681 -0.304 757 HG22 VAL 96 1HG2 VAL 96 -12.072 5.975 -0.511 758 HG23 VAL 96 2HG2 VAL 96 -11.832 7.298 0.631 759 H MET 97 H MET 97 -9.587 8.338 -3.312 760 HA MET 97 HA MET 97 -7.391 7.171 -1.972 761 HB2 MET 97 2HB MET 97 -6.305 7.296 -4.275 762 HB3 MET 97 1HB MET 97 -7.791 6.367 -4.149 763 HG2 MET 97 2HG MET 97 -8.819 7.653 -5.630 764 HG3 MET 97 1HG MET 97 -8.329 9.126 -4.796 765 HE1 MET 97 3HE MET 97 -7.842 10.614 -7.143 766 HE2 MET 97 1HE MET 97 -6.082 10.731 -7.160 767 HE3 MET 97 2HE MET 97 -6.953 10.744 -5.626 768 H ASP 98 H ASP 98 -8.052 10.342 -3.202 769 HA ASP 98 HA ASP 98 -5.407 11.362 -3.065 770 HB2 ASP 98 2HB ASP 98 -8.101 12.430 -3.549 771 HB3 ASP 98 1HB ASP 98 -7.019 13.565 -2.746 772 H ASN 99 H ASN 99 -8.050 11.097 -0.769 773 HA ASN 99 HA ASN 99 -6.739 12.728 1.219 774 HB2 ASN 99 2HB ASN 99 -9.285 11.171 1.070 775 HB3 ASN 99 1HB ASN 99 -8.645 11.583 2.658 776 HD21 ASN 99 1HD2 ASN 99 -9.837 12.856 -0.369 777 HD22 ASN 99 2HD2 ASN 99 -10.218 14.442 0.226 778 H ILE 100 H ILE 100 -6.873 9.379 0.343 779 HA ILE 100 HA ILE 100 -5.775 8.452 2.861 780 HB ILE 100 HB ILE 100 -6.155 6.917 0.292 781 HG12 ILE 100 2HG1 ILE 100 -8.169 8.073 1.709 782 HG13 ILE 100 1HG1 ILE 100 -8.344 6.597 0.773 783 HG21 ILE 100 1HG2 ILE 100 -5.807 5.960 3.130 784 HG22 ILE 100 2HG2 ILE 100 -4.587 5.892 1.859 785 HG23 ILE 100 3HG2 ILE 100 -6.066 4.941 1.715 786 HD11 ILE 100 3HD1 ILE 100 -9.339 6.364 2.965 787 HD12 ILE 100 1HD1 ILE 100 -7.801 6.766 3.728 788 HD13 ILE 100 2HD1 ILE 100 -7.960 5.278 2.794 789 H LYS 101 H LYS 101 -4.719 8.626 -0.533 790 HA LYS 101 HA LYS 101 -2.155 7.598 -0.205 791 HB2 LYS 101 2HB LYS 101 -3.193 7.987 -2.396 792 HB3 LYS 101 1HB LYS 101 -3.077 9.724 -2.148 793 HG2 LYS 101 2HG LYS 101 -0.558 8.207 -1.920 794 HG3 LYS 101 1HG LYS 101 -1.280 8.300 -3.528 795 HD2 LYS 101 2HD LYS 101 -0.833 10.720 -1.793 796 HD3 LYS 101 1HD LYS 101 0.372 10.126 -2.938 797 HE2 LYS 101 2HE LYS 101 -2.455 10.816 -3.712 798 HE3 LYS 101 1HE LYS 101 -1.122 11.968 -3.784 799 HZ1 LYS 101 3HZ LYS 101 0.000 10.586 -5.365 800 HZ2 LYS 101 1HZ LYS 101 -1.576 10.854 -5.919 801 HZ3 LYS 101 2HZ LYS 101 -1.167 9.370 -5.219 802 H MET 102 H MET 102 -3.416 10.770 0.515 803 HA MET 102 HA MET 102 -0.804 11.943 0.871 804 HB2 MET 102 2HB MET 102 -1.997 13.953 1.524 805 HB3 MET 102 1HB MET 102 -2.696 13.293 0.053 806 HG2 MET 102 2HG MET 102 -4.494 12.281 1.388 807 HG3 MET 102 1HG MET 102 -3.806 13.014 2.836 808 HE1 MET 102 3HE MET 102 -3.926 15.106 3.582 809 HE2 MET 102 1HE MET 102 -5.689 15.095 3.633 810 HE3 MET 102 2HE MET 102 -4.836 16.478 2.947 811 H THR 103 H THR 103 -3.382 10.705 2.869 812 HA THR 103 HA THR 103 -2.162 11.490 5.344 813 HB THR 103 HB THR 103 -4.403 9.529 4.809 814 HG1 THR 103 1HG THR 103 -5.696 11.199 4.851 815 HG21 THR 103 3HG2 THR 103 -4.967 10.424 7.235 816 HG22 THR 103 1HG2 THR 103 -3.209 10.537 7.320 817 HG23 THR 103 2HG2 THR 103 -3.978 8.990 6.964 818 H LEU 104 H LEU 104 -2.179 8.607 3.350 819 HA LEU 104 HA LEU 104 -1.084 6.849 5.262 820 HB2 LEU 104 2HB LEU 104 -1.496 6.859 2.342 821 HB3 LEU 104 1HB LEU 104 -0.164 5.863 2.895 822 HG LEU 104 HG LEU 104 -1.603 4.499 4.214 823 HD11 LEU 104 1HD1 LEU 104 -4.178 5.150 3.956 824 HD12 LEU 104 2HD1 LEU 104 -3.475 6.767 3.910 825 HD13 LEU 104 3HD1 LEU 104 -3.177 5.715 5.294 826 HD21 LEU 104 3HD2 LEU 104 -3.284 3.739 2.517 827 HD22 LEU 104 1HD2 LEU 104 -1.628 3.852 1.924 828 HD23 LEU 104 2HD2 LEU 104 -2.795 5.108 1.517 829 H GLN 105 H GLN 105 0.505 8.508 2.528 830 HA GLN 105 HA GLN 105 3.134 7.899 3.191 831 HB2 GLN 105 2HB GLN 105 3.746 9.934 1.904 832 HB3 GLN 105 1HB GLN 105 2.589 8.910 1.064 833 HG2 GLN 105 2HG GLN 105 0.784 10.428 1.945 834 HG3 GLN 105 1HG GLN 105 2.072 11.514 2.466 835 HE21 GLN 105 1HE2 GLN 105 1.348 9.601 -0.438 836 HE22 GLN 105 2HE2 GLN 105 1.597 10.901 -1.561 837 H GLN 106 H GLN 106 0.932 10.155 4.630 838 HA GLN 106 HA GLN 106 2.791 11.820 5.936 839 HB2 GLN 106 2HB GLN 106 -0.081 11.323 6.061 840 HB3 GLN 106 1HB GLN 106 0.603 11.709 7.634 841 HG2 GLN 106 2HG GLN 106 0.702 13.376 5.135 842 HG3 GLN 106 1HG GLN 106 -0.159 13.728 6.632 843 HE21 GLN 106 1HE2 GLN 106 2.864 13.784 4.982 844 HE22 GLN 106 2HE2 GLN 106 3.759 14.639 6.200 845 H ILE 107 H ILE 107 1.425 8.714 6.675 846 HA ILE 107 HA ILE 107 2.581 8.574 9.321 847 HB ILE 107 HB ILE 107 1.238 6.475 7.608 848 HG12 ILE 107 2HG1 ILE 107 -0.139 7.055 10.040 849 HG13 ILE 107 1HG1 ILE 107 0.228 8.581 9.244 850 HG21 ILE 107 1HG2 ILE 107 1.160 5.122 9.688 851 HG22 ILE 107 2HG2 ILE 107 2.233 6.298 10.446 852 HG23 ILE 107 3HG2 ILE 107 2.789 5.363 9.058 853 HD11 ILE 107 3HD1 ILE 107 -1.809 8.071 8.340 854 HD12 ILE 107 1HD1 ILE 107 -1.498 6.335 8.338 855 HD13 ILE 107 2HD1 ILE 107 -0.725 7.371 7.139 856 H ILE 108 H ILE 108 3.231 7.408 6.092 857 HA ILE 108 HA ILE 108 5.315 5.618 6.565 858 HB ILE 108 HB ILE 108 5.088 7.504 4.217 859 HG12 ILE 108 2HG1 ILE 108 3.731 4.861 4.742 860 HG13 ILE 108 1HG1 ILE 108 2.971 6.426 4.491 861 HG21 ILE 108 1HG2 ILE 108 6.257 4.737 4.323 862 HG22 ILE 108 2HG2 ILE 108 7.205 6.219 4.454 863 HG23 ILE 108 3HG2 ILE 108 6.298 5.878 2.979 864 HD11 ILE 108 3HD1 ILE 108 2.932 6.136 2.297 865 HD12 ILE 108 1HD1 ILE 108 3.446 4.474 2.582 866 HD13 ILE 108 2HD1 ILE 108 4.645 5.724 2.255 867 H SER 109 H SER 109 5.468 9.046 5.696 868 HA SER 109 HA SER 109 8.191 9.441 5.802 869 HB2 SER 109 2HB SER 109 6.068 11.406 6.684 870 HB3 SER 109 1HB SER 109 7.713 11.810 6.194 871 HG SER 109 HG SER 109 6.105 12.052 4.518 872 H ARG 110 H ARG 110 6.002 8.978 8.433 873 HA ARG 110 HA ARG 110 7.444 10.147 10.525 874 HB2 ARG 110 2HB ARG 110 5.790 7.627 10.710 875 HB3 ARG 110 1HB ARG 110 6.166 8.744 12.013 876 HG2 ARG 110 2HG ARG 110 4.884 10.495 10.804 877 HG3 ARG 110 1HG ARG 110 4.410 9.268 9.627 878 HD2 ARG 110 2HD ARG 110 3.178 8.058 11.229 879 HD3 ARG 110 1HD ARG 110 3.925 8.922 12.572 880 HE ARG 110 HE ARG 110 2.595 10.823 11.074 881 HH11 ARG 110 1HH1 ARG 110 1.759 7.943 12.858 882 HH12 ARG 110 2HH1 ARG 110 0.169 8.501 13.258 883 HH21 ARG 110 1HH2 ARG 110 0.506 11.559 11.599 884 HH22 ARG 110 2HH2 ARG 110 -0.543 10.554 12.543 885 H TYR 111 H TYR 111 7.882 7.128 8.835 886 HA TYR 111 HA TYR 111 9.902 6.234 10.742 887 HB2 TYR 111 2HB TYR 111 9.275 4.749 8.220 888 HB3 TYR 111 1HB TYR 111 9.731 4.122 9.800 889 HD1 TYR 111 1HD TYR 111 7.944 4.614 11.712 890 HD2 TYR 111 2HD TYR 111 7.084 4.499 7.547 891 HE1 TYR 111 1HE TYR 111 5.578 4.172 12.218 892 HE2 TYR 111 2HE TYR 111 4.717 4.057 8.041 893 HH TYR 111 HH TYR 111 3.602 3.005 10.908 894 H LYS 112 H LYS 112 9.597 7.460 7.474 895 HA LYS 112 HA LYS 112 12.169 6.889 6.533 896 HB2 LYS 112 2HB LYS 112 10.087 7.853 5.303 897 HB3 LYS 112 1HB LYS 112 10.730 9.416 5.788 898 HG2 LYS 112 2HG LYS 112 11.792 9.296 3.817 899 HG3 LYS 112 1HG LYS 112 12.938 8.305 4.722 900 HD2 LYS 112 2HD LYS 112 12.564 6.799 3.091 901 HD3 LYS 112 1HD LYS 112 11.096 6.446 4.006 902 HE2 LYS 112 2HE LYS 112 11.410 8.175 1.568 903 HE3 LYS 112 1HE LYS 112 10.406 6.740 1.769 904 HZ1 LYS 112 3HZ LYS 112 8.940 8.533 1.896 905 HZ2 LYS 112 1HZ LYS 112 9.974 9.449 2.873 906 HZ3 LYS 112 2HZ LYS 112 9.185 8.097 3.512 907 H ASP 113 H ASP 113 11.001 10.052 7.707 908 HA ASP 113 HA ASP 113 13.532 11.225 7.918 909 HB2 ASP 113 2HB ASP 113 11.033 12.177 8.124 910 HB3 ASP 113 1HB ASP 113 11.431 12.086 9.836 911 H ALA 114 H ALA 114 11.740 9.193 10.124 912 HA ALA 114 HA ALA 114 13.368 9.720 12.412 913 HB1 ALA 114 1HB ALA 114 12.270 7.498 13.185 914 HB2 ALA 114 2HB ALA 114 11.284 7.685 11.734 915 HB3 ALA 114 3HB ALA 114 11.267 8.934 12.979 916 H ASP 115 H ASP 115 13.337 7.252 9.887 917 HA ASP 115 HA ASP 115 15.516 5.782 11.081 918 HB2 ASP 115 2HB ASP 115 13.586 4.857 9.607 919 HB3 ASP 115 1HB ASP 115 14.566 5.413 8.254 920 H TYR 90 1HT TYR 90 6.584 -1.947 -17.660 921 HA TYR 90 HA TYR 90 5.672 -0.317 -18.971 922 HB2 TYR 90 2HB TYR 90 6.168 -2.336 -21.094 923 HB3 TYR 90 1HB TYR 90 4.773 -1.285 -21.318 924 HD1 TYR 90 1HD TYR 90 5.411 1.306 -20.666 925 HD2 TYR 90 2HD TYR 90 8.075 -1.649 -22.172 926 HE1 TYR 90 1HE TYR 90 6.883 3.079 -21.523 927 HE2 TYR 90 2HE TYR 90 9.556 0.116 -23.032 928 HH TYR 90 HH TYR 90 8.604 3.403 -23.182 929 H ASP 91 H ASP 91 4.451 -3.578 -19.766 930 HA ASP 91 HA ASP 91 1.736 -2.941 -19.503 931 HB2 ASP 91 2HB ASP 91 3.107 -5.613 -19.133 932 HB3 ASP 91 1HB ASP 91 1.375 -5.384 -19.352 933 H SER 92 H SER 92 4.139 -3.867 -17.141 934 HA SER 92 HA SER 92 2.102 -4.030 -15.045 935 HB2 SER 92 2HB SER 92 3.984 -5.758 -15.321 936 HB3 SER 92 1HB SER 92 5.051 -4.516 -14.666 937 HG SER 92 HG SER 92 4.131 -5.992 -13.089 938 H GLU 93 H GLU 93 3.713 -1.613 -16.470 939 HA GLU 93 HA GLU 93 4.420 -0.201 -14.005 940 HB2 GLU 93 2HB GLU 93 5.145 0.093 -16.875 941 HB3 GLU 93 1HB GLU 93 5.114 1.553 -15.894 942 HG2 GLU 93 2HG GLU 93 6.819 0.799 -14.500 943 HG3 GLU 93 1HG GLU 93 6.617 -0.878 -15.005 944 H GLU 94 H GLU 94 1.641 -0.738 -14.800 945 HA GLU 94 HA GLU 94 0.493 1.675 -15.793 946 HB2 GLU 94 2HB GLU 94 -0.863 -0.512 -14.210 947 HB3 GLU 94 1HB GLU 94 -1.641 0.676 -15.245 948 HG2 GLU 94 2HG GLU 94 0.400 -0.921 -16.594 949 HG3 GLU 94 1HG GLU 94 -0.963 -1.855 -15.978 950 H PHE 95 H PHE 95 0.466 0.184 -12.551 951 HA PHE 95 HA PHE 95 -0.494 2.633 -11.355 952 HB2 PHE 95 2HB PHE 95 0.528 0.281 -9.790 953 HB3 PHE 95 1HB PHE 95 -0.751 1.416 -9.373 954 HD1 PHE 95 2HD PHE 95 -2.566 1.397 -11.550 955 HD2 PHE 95 1HD PHE 95 -0.314 -1.841 -9.953 956 HE1 PHE 95 2HE PHE 95 -4.247 -0.186 -12.399 957 HE2 PHE 95 1HE PHE 95 -1.991 -3.430 -10.800 958 HZ PHE 95 HZ PHE 95 -3.962 -2.603 -12.024 959 H GLU 96 H GLU 96 0.670 4.128 -10.273 960 HA GLU 96 HA GLU 96 3.584 3.726 -10.174 961 HB2 GLU 96 2HB GLU 96 2.640 5.610 -11.582 962 HB3 GLU 96 1HB GLU 96 2.126 6.366 -10.080 963 HG2 GLU 96 2HG GLU 96 4.345 6.674 -9.355 964 HG3 GLU 96 1HG GLU 96 4.979 5.598 -10.598 965 H ASP 97 H ASP 97 4.742 4.707 -8.370 966 HA ASP 97 HA ASP 97 3.253 4.355 -5.879 967 HB2 ASP 97 2HB ASP 97 5.492 4.273 -4.819 968 HB3 ASP 97 1HB ASP 97 5.298 3.062 -6.083 969 H VAL 98 H VAL 98 3.727 5.832 -4.063 970 HA VAL 98 HA VAL 98 4.178 8.591 -5.004 971 HB VAL 98 HB VAL 98 2.601 9.366 -3.284 972 HG11 VAL 98 1HG1 VAL 98 0.612 8.846 -4.454 973 HG12 VAL 98 2HG1 VAL 98 1.257 7.301 -5.010 974 HG13 VAL 98 3HG1 VAL 98 1.910 8.810 -5.648 975 HG21 VAL 98 3HG2 VAL 98 2.671 6.534 -2.533 976 HG22 VAL 98 1HG2 VAL 98 1.052 7.232 -2.589 977 HG23 VAL 98 2HG2 VAL 98 2.289 7.958 -1.564 978 H THR 99 H THR 99 6.064 9.282 -4.245 979 HA THR 99 HA THR 99 6.622 9.030 -1.397 980 HB THR 99 HB THR 99 8.950 8.482 -3.148 981 HG1 THR 99 1HG THR 99 7.037 6.472 -2.578 982 HG21 THR 99 3HG2 THR 99 9.345 6.753 -1.343 983 HG22 THR 99 1HG2 THR 99 7.997 7.496 -0.483 984 HG23 THR 99 2HG2 THR 99 9.435 8.446 -0.858 985 H ASP 100 H ASP 100 8.281 10.501 -0.653 986 HA ASP 100 HA ASP 100 8.541 12.838 -2.425 987 HB2 ASP 100 2HB ASP 100 8.905 14.095 -0.244 988 HB3 ASP 100 1HB ASP 100 7.283 13.462 -0.510 989 H GLY 101 H GLY 101 10.261 10.990 0.081 990 HA2 GLY 101 2HA GLY 101 12.501 10.478 0.261 991 HA3 GLY 101 1HA GLY 101 12.727 11.138 -1.353 992 H ASN 102 H ASN 102 14.251 11.414 1.232 993 HA ASN 102 HA ASN 102 14.518 14.327 1.097 994 HB2 ASN 102 2HB ASN 102 13.164 13.278 3.170 995 HB3 ASN 102 1HB ASN 102 14.803 13.126 3.797 996 HD21 ASN 102 1HD2 ASN 102 12.844 14.756 4.933 997 HD22 ASN 102 2HD2 ASN 102 13.339 16.403 4.771 998 H GLU 103 H GLU 103 16.510 14.527 0.291 999 HA GLU 103 HA GLU 103 18.645 12.819 1.379 1000 HB2 GLU 103 2HB GLU 103 18.167 14.062 -1.283 1001 HB3 GLU 103 1HB GLU 103 19.835 13.908 -0.748 1002 HG2 GLU 103 2HG GLU 103 19.706 11.570 -0.654 1003 HG3 GLU 103 1HG GLU 103 17.945 11.582 -0.732 1004 H VAL 104 H VAL 104 20.480 13.704 2.241 1005 HA VAL 104 HA VAL 104 20.363 16.590 2.786 1006 HB VAL 104 HB VAL 104 22.036 14.528 4.222 1007 HG11 VAL 104 1HG1 VAL 104 21.543 17.439 4.535 1008 HG12 VAL 104 2HG1 VAL 104 23.015 16.503 4.799 1009 HG13 VAL 104 3HG1 VAL 104 21.724 16.471 5.999 1010 HG21 VAL 104 3HG2 VAL 104 20.140 15.158 6.013 1011 HG22 VAL 104 1HG2 VAL 104 20.020 13.777 4.923 1012 HG23 VAL 104 2HG2 VAL 104 19.197 15.286 4.528 Start of MODEL 18 1 H2 PRO 1 1HT PRO 1 -12.012 13.369 7.984 2 H3 PRO 1 2HT PRO 1 -12.542 12.851 9.453 3 HA PRO 1 HA PRO 1 -11.724 11.020 9.063 4 HB2 PRO 1 2HB PRO 1 -13.278 10.209 6.742 5 HB3 PRO 1 1HB PRO 1 -13.363 9.620 8.408 6 HG2 PRO 1 2HG PRO 1 -15.311 11.139 7.278 7 HG3 PRO 1 1HG PRO 1 -14.945 11.162 9.013 8 HD2 PRO 1 2HD PRO 1 -14.108 13.097 6.872 9 HD3 PRO 1 1HD PRO 1 -14.716 13.429 8.505 10 H SER 2 H SER 2 -10.084 12.814 8.001 11 HA SER 2 HA SER 2 -9.516 12.507 5.243 12 HB2 SER 2 2HB SER 2 -7.357 13.606 5.799 13 HB3 SER 2 1HB SER 2 -8.745 14.468 6.462 14 HG SER 2 HG SER 2 -6.875 12.833 7.806 15 H HIS 3 H HIS 3 -8.296 10.931 8.156 16 HA HIS 3 HA HIS 3 -6.510 9.260 6.573 17 HB2 HIS 3 2HB HIS 3 -5.542 8.556 8.623 18 HB3 HIS 3 1HB HIS 3 -5.822 10.286 8.779 19 HD1 HIS 3 1HD HIS 3 -9.022 9.580 9.358 20 HD2 HIS 3 2HD HIS 3 -5.636 8.400 11.451 21 HE1 HIS 3 1HE HIS 3 -9.825 9.036 11.677 22 HE2 HIS 3 2HE HIS 3 -7.743 8.411 12.953 23 H SER 4 H SER 4 -9.089 8.778 5.863 24 HA SER 4 HA SER 4 -9.330 6.004 6.251 25 HB2 SER 4 2HB SER 4 -11.494 5.987 7.510 26 HB3 SER 4 1HB SER 4 -10.116 6.517 8.475 27 HG SER 4 HG SER 4 -12.104 8.144 7.274 28 H GLY 5 H GLY 5 -10.380 5.205 4.534 29 HA2 GLY 5 2HA GLY 5 -12.588 6.704 3.349 30 HA3 GLY 5 1HA GLY 5 -11.179 6.434 2.329 31 H ALA 6 H ALA 6 -13.826 5.452 1.821 32 HA ALA 6 HA ALA 6 -13.993 2.711 2.577 33 HB1 ALA 6 1HB ALA 6 -15.465 4.466 0.669 34 HB2 ALA 6 2HB ALA 6 -16.060 3.567 2.066 35 HB3 ALA 6 3HB ALA 6 -15.668 2.716 0.570 36 H ALA 7 H ALA 7 -12.427 1.362 1.986 37 HA ALA 7 HA ALA 7 -11.487 1.441 -0.807 38 HB1 ALA 7 1HB ALA 7 -10.056 0.100 1.472 39 HB2 ALA 7 2HB ALA 7 -9.818 1.804 1.080 40 HB3 ALA 7 3HB ALA 7 -9.416 0.559 -0.105 41 H ILE 8 H ILE 8 -10.938 -0.637 -1.792 42 HA ILE 8 HA ILE 8 -12.848 -2.725 -0.976 43 HB ILE 8 HB ILE 8 -11.659 -2.265 -3.711 44 HG12 ILE 8 2HG1 ILE 8 -13.997 -1.115 -2.323 45 HG13 ILE 8 1HG1 ILE 8 -13.071 -0.485 -3.676 46 HG21 ILE 8 1HG2 ILE 8 -14.097 -3.900 -3.149 47 HG22 ILE 8 2HG2 ILE 8 -12.497 -4.606 -2.929 48 HG23 ILE 8 3HG2 ILE 8 -12.979 -3.987 -4.507 49 HD11 ILE 8 3HD1 ILE 8 -15.191 -2.606 -3.835 50 HD12 ILE 8 1HD1 ILE 8 -14.278 -1.951 -5.194 51 HD13 ILE 8 2HD1 ILE 8 -15.378 -0.911 -4.287 52 H PHE 9 H PHE 9 -12.200 -4.852 -0.825 53 HA PHE 9 HA PHE 9 -9.433 -5.534 -1.452 54 HB2 PHE 9 2HB PHE 9 -9.691 -4.711 0.992 55 HB3 PHE 9 1HB PHE 9 -10.516 -6.243 1.263 56 HD1 PHE 9 2HD PHE 9 -7.492 -5.312 -0.714 57 HD2 PHE 9 1HD PHE 9 -9.140 -7.656 2.432 58 HE1 PHE 9 2HE PHE 9 -5.318 -6.421 -0.407 59 HE2 PHE 9 1HE PHE 9 -6.967 -8.770 2.745 60 HZ PHE 9 HZ PHE 9 -5.053 -8.152 1.325 61 H GLU 10 H GLU 10 -9.404 -7.419 -2.477 62 HA GLU 10 HA GLU 10 -9.931 -9.528 -3.150 63 HB2 GLU 10 2HB GLU 10 -10.817 -9.440 -0.391 64 HB3 GLU 10 1HB GLU 10 -11.851 -10.489 -1.352 65 HG2 GLU 10 2HG GLU 10 -8.925 -10.793 -1.677 66 HG3 GLU 10 1HG GLU 10 -9.643 -11.348 -0.165 67 H LYS 11 H LYS 11 -11.440 -7.193 -3.977 68 HA LYS 11 HA LYS 11 -13.086 -6.858 -5.528 69 HB2 LYS 11 2HB LYS 11 -14.315 -9.523 -4.874 70 HB3 LYS 11 1HB LYS 11 -14.432 -8.598 -6.364 71 HG2 LYS 11 2HG LYS 11 -11.743 -9.033 -6.175 72 HG3 LYS 11 1HG LYS 11 -12.412 -10.517 -5.497 73 HD2 LYS 11 2HD LYS 11 -12.516 -11.163 -7.653 74 HD3 LYS 11 1HD LYS 11 -13.994 -10.199 -7.671 75 HE2 LYS 11 2HE LYS 11 -12.887 -8.348 -8.639 76 HE3 LYS 11 1HE LYS 11 -11.297 -9.040 -8.322 77 HZ1 LYS 11 3HZ LYS 11 -13.259 -9.781 -10.389 78 HZ2 LYS 11 1HZ LYS 11 -12.121 -10.916 -9.860 79 HZ3 LYS 11 2HZ LYS 11 -11.605 -9.462 -10.552 80 H VAL 12 H VAL 12 -13.466 -7.314 -2.259 81 HA VAL 12 HA VAL 12 -16.284 -6.500 -2.317 82 HB VAL 12 HB VAL 12 -15.683 -8.484 -0.934 83 HG11 VAL 12 1HG1 VAL 12 -13.776 -6.602 0.209 84 HG12 VAL 12 2HG1 VAL 12 -13.784 -8.362 0.223 85 HG13 VAL 12 3HG1 VAL 12 -14.727 -7.468 1.413 86 HG21 VAL 12 3HG2 VAL 12 -17.422 -6.413 -0.386 87 HG22 VAL 12 1HG2 VAL 12 -16.601 -6.684 1.151 88 HG23 VAL 12 2HG2 VAL 12 -17.442 -8.013 0.353 89 H SER 13 H SER 13 -16.939 -4.572 -1.469 90 HA SER 13 HA SER 13 -14.823 -2.642 -0.987 91 HB2 SER 13 2HB SER 13 -16.727 -0.985 -1.017 92 HB3 SER 13 1HB SER 13 -16.501 -1.891 -2.512 93 HG SER 13 HG SER 13 -18.531 -2.095 -0.590 94 H GLY 14 H GLY 14 -14.313 -1.809 0.925 95 HA2 GLY 14 2HA GLY 14 -16.170 -2.215 3.177 96 HA3 GLY 14 1HA GLY 14 -14.479 -2.676 3.325 97 H ILE 15 H ILE 15 -13.816 -1.270 4.861 98 HA ILE 15 HA ILE 15 -13.805 1.564 4.091 99 HB ILE 15 HB ILE 15 -14.183 0.751 6.956 100 HG12 ILE 15 2HG1 ILE 15 -16.075 -0.091 5.503 101 HG13 ILE 15 1HG1 ILE 15 -16.545 1.016 6.788 102 HG21 ILE 15 1HG2 ILE 15 -14.328 3.298 5.398 103 HG22 ILE 15 2HG2 ILE 15 -13.434 2.939 6.883 104 HG23 ILE 15 3HG2 ILE 15 -15.190 3.137 6.929 105 HD11 ILE 15 3HD1 ILE 15 -16.068 1.929 3.973 106 HD12 ILE 15 1HD1 ILE 15 -16.917 2.768 5.273 107 HD13 ILE 15 2HD1 ILE 15 -17.632 1.333 4.534 108 H ILE 16 H ILE 16 -11.791 2.258 4.006 109 HA ILE 16 HA ILE 16 -9.743 0.834 5.535 110 HB ILE 16 HB ILE 16 -9.798 2.187 2.951 111 HG12 ILE 16 2HG1 ILE 16 -7.901 0.251 4.283 112 HG13 ILE 16 1HG1 ILE 16 -9.241 -0.159 3.222 113 HG21 ILE 16 1HG2 ILE 16 -8.564 3.926 4.190 114 HG22 ILE 16 2HG2 ILE 16 -7.594 3.126 2.954 115 HG23 ILE 16 3HG2 ILE 16 -7.372 2.707 4.654 116 HD11 ILE 16 3HD1 ILE 16 -7.540 1.642 1.840 117 HD12 ILE 16 1HD1 ILE 16 -7.898 -0.046 1.474 118 HD13 ILE 16 2HD1 ILE 16 -6.553 0.359 2.540 119 H ALA 17 H ALA 17 -8.990 1.681 7.343 120 HA ALA 17 HA ALA 17 -9.035 4.594 7.680 121 HB1 ALA 17 1HB ALA 17 -10.161 4.531 9.734 122 HB2 ALA 17 2HB ALA 17 -9.976 2.781 9.880 123 HB3 ALA 17 3HB ALA 17 -11.085 3.454 8.679 124 H ILE 18 H ILE 18 -7.285 5.410 8.657 125 HA ILE 18 HA ILE 18 -5.170 3.565 9.412 126 HB ILE 18 HB ILE 18 -5.099 6.578 9.218 127 HG12 ILE 18 2HG1 ILE 18 -3.649 5.766 7.121 128 HG13 ILE 18 1HG1 ILE 18 -4.754 4.399 7.222 129 HG21 ILE 18 1HG2 ILE 18 -2.962 6.527 9.861 130 HG22 ILE 18 2HG2 ILE 18 -2.607 5.108 8.877 131 HG23 ILE 18 3HG2 ILE 18 -3.314 4.914 10.481 132 HD11 ILE 18 3HD1 ILE 18 -5.736 7.228 7.150 133 HD12 ILE 18 1HD1 ILE 18 -6.624 5.743 6.813 134 HD13 ILE 18 2HD1 ILE 18 -5.394 6.309 5.684 135 H ASN 19 H ASN 19 -4.824 2.978 11.434 136 HA ASN 19 HA ASN 19 -6.129 4.333 13.627 137 HB2 ASN 19 2HB ASN 19 -5.573 1.741 13.225 138 HB3 ASN 19 1HB ASN 19 -4.136 2.188 14.140 139 HD21 ASN 19 1HD2 ASN 19 -4.519 3.309 16.205 140 HD22 ASN 19 2HD2 ASN 19 -5.887 2.835 17.148 141 H GLU 20 H GLU 20 -5.161 6.329 13.830 142 HA GLU 20 HA GLU 20 -2.270 6.424 14.263 143 HB2 GLU 20 2HB GLU 20 -4.319 8.621 13.937 144 HB3 GLU 20 1HB GLU 20 -2.608 8.901 14.230 145 HG2 GLU 20 2HG GLU 20 -2.086 7.712 12.137 146 HG3 GLU 20 1HG GLU 20 -3.813 7.533 11.836 147 H ASP 21 H ASP 21 -4.233 5.292 16.201 148 HA ASP 21 HA ASP 21 -3.863 7.148 18.446 149 HB2 ASP 21 2HB ASP 21 -5.725 4.794 18.085 150 HB3 ASP 21 1HB ASP 21 -5.531 5.659 19.608 151 H VAL 22 H VAL 22 -2.443 4.473 17.055 152 HA VAL 22 HA VAL 22 -1.500 3.419 19.640 153 HB VAL 22 HB VAL 22 -0.757 1.446 18.442 154 HG11 VAL 22 1HG1 VAL 22 -3.436 1.718 17.248 155 HG12 VAL 22 2HG1 VAL 22 -3.326 2.062 18.975 156 HG13 VAL 22 3HG1 VAL 22 -2.801 0.497 18.352 157 HG21 VAL 22 3HG2 VAL 22 -1.450 1.253 15.981 158 HG22 VAL 22 1HG2 VAL 22 -0.021 2.216 16.359 159 HG23 VAL 22 2HG2 VAL 22 -1.554 3.015 16.007 160 H SER 23 H SER 23 0.885 2.377 19.145 161 HA SER 23 HA SER 23 2.593 4.628 18.985 162 HB2 SER 23 2HB SER 23 2.890 1.775 19.512 163 HB3 SER 23 1HB SER 23 4.234 2.419 18.571 164 HG SER 23 HG SER 23 3.284 3.348 21.076 165 HA PRO 24 HA PRO 24 3.716 3.348 14.596 166 HB2 PRO 24 2HB PRO 24 3.430 0.890 13.671 167 HB3 PRO 24 1HB PRO 24 4.672 1.232 14.882 168 HG2 PRO 24 2HG PRO 24 2.008 -0.073 15.216 169 HG3 PRO 24 1HG PRO 24 3.547 -0.449 16.009 170 HD2 PRO 24 2HD PRO 24 1.469 1.110 17.083 171 HD3 PRO 24 1HD PRO 24 3.130 1.012 17.692 172 H ALA 25 H ALA 25 2.213 4.558 13.538 173 HA ALA 25 HA ALA 25 -0.505 4.240 13.445 174 HB1 ALA 25 1HB ALA 25 1.470 5.657 11.818 175 HB2 ALA 25 2HB ALA 25 -0.078 6.202 12.466 176 HB3 ALA 25 3HB ALA 25 -0.028 5.275 10.967 177 H GLU 26 H GLU 26 -1.783 2.692 12.743 178 HA GLU 26 HA GLU 26 -0.808 0.887 10.630 179 HB2 GLU 26 2HB GLU 26 -3.010 0.300 12.604 180 HB3 GLU 26 1HB GLU 26 -2.150 -0.837 11.572 181 HG2 GLU 26 2HG GLU 26 -0.080 -0.338 12.852 182 HG3 GLU 26 1HG GLU 26 -1.050 0.648 13.945 183 H LEU 27 H LEU 27 -2.686 -0.187 9.436 184 HA LEU 27 HA LEU 27 -4.790 1.764 8.798 185 HB2 LEU 27 2HB LEU 27 -3.032 1.799 7.073 186 HB3 LEU 27 1HB LEU 27 -3.221 0.074 6.846 187 HG LEU 27 HG LEU 27 -5.772 1.319 6.491 188 HD11 LEU 27 1HD1 LEU 27 -4.020 2.348 4.364 189 HD12 LEU 27 2HD1 LEU 27 -3.901 3.179 5.915 190 HD13 LEU 27 3HD1 LEU 27 -5.459 3.057 5.099 191 HD21 LEU 27 3HD2 LEU 27 -4.136 0.266 4.235 192 HD22 LEU 27 1HD2 LEU 27 -5.843 0.021 4.604 193 HD23 LEU 27 2HD2 LEU 27 -4.606 -0.836 5.530 194 H THR 28 H THR 28 -6.627 0.823 9.495 195 HA THR 28 HA THR 28 -6.891 -2.089 9.208 196 HB THR 28 HB THR 28 -8.639 -0.318 10.898 197 HG1 THR 28 1HG THR 28 -6.715 0.049 11.804 198 HG21 THR 28 3HG2 THR 28 -9.559 -2.488 10.687 199 HG22 THR 28 1HG2 THR 28 -8.797 -2.397 12.275 200 HG23 THR 28 2HG2 THR 28 -7.992 -3.250 10.958 201 H TRP 29 H TRP 29 -8.051 -2.792 7.562 202 HA TRP 29 HA TRP 29 -10.050 -1.102 6.322 203 HB2 TRP 29 2HB TRP 29 -8.566 -2.263 4.813 204 HB3 TRP 29 1HB TRP 29 -8.918 -3.807 5.584 205 HD1 TRP 29 HD TRP 29 -10.772 -1.090 3.576 206 HE1 TRP 29 1HE TRP 29 -12.615 -2.231 2.169 207 HE3 TRP 29 3HE TRP 29 -10.207 -5.866 5.270 208 HZ2 TRP 29 2HZ TRP 29 -13.682 -4.832 1.847 209 HZ3 TRP 29 3HZ TRP 29 -11.681 -7.622 4.377 210 HH2 TRP 29 HH TRP 29 -13.378 -7.114 2.702 211 H ARG 30 H ARG 30 -12.007 -1.121 7.236 212 HA ARG 30 HA ARG 30 -13.037 -3.672 8.292 213 HB2 ARG 30 2HB ARG 30 -12.836 -1.698 9.868 214 HB3 ARG 30 1HB ARG 30 -14.083 -0.907 8.915 215 HG2 ARG 30 2HG ARG 30 -15.731 -2.362 9.614 216 HG3 ARG 30 1HG ARG 30 -14.577 -3.625 10.045 217 HD2 ARG 30 2HD ARG 30 -13.916 -2.489 12.005 218 HD3 ARG 30 1HD ARG 30 -14.702 -0.996 11.496 219 HE ARG 30 HE ARG 30 -16.720 -2.841 11.669 220 HH11 ARG 30 1HH1 ARG 30 -14.314 -1.573 13.856 221 HH12 ARG 30 2HH1 ARG 30 -15.299 -1.786 15.263 222 HH21 ARG 30 1HH2 ARG 30 -18.018 -3.122 13.520 223 HH22 ARG 30 2HH2 ARG 30 -17.402 -2.665 15.073 224 H SER 31 H SER 31 -14.384 -4.665 6.941 225 HA SER 31 HA SER 31 -15.431 -3.717 4.603 226 HB2 SER 31 2HB SER 31 -17.289 -5.486 5.003 227 HB3 SER 31 1HB SER 31 -15.615 -6.027 4.898 228 HG SER 31 HG SER 31 -16.728 -5.364 7.394 229 H THR 32 H THR 32 -17.742 -3.332 4.020 230 HA THR 32 HA THR 32 -18.759 -1.145 5.543 231 HB THR 32 HB THR 32 -20.646 -2.087 3.618 232 HG1 THR 32 1HG THR 32 -19.461 -2.694 2.008 233 HG21 THR 32 3HG2 THR 32 -20.309 -0.007 2.543 234 HG22 THR 32 1HG2 THR 32 -18.733 0.202 3.306 235 HG23 THR 32 2HG2 THR 32 -20.201 0.282 4.280 236 H ASP 33 H ASP 33 -19.697 -4.439 4.902 237 HA ASP 33 HA ASP 33 -22.063 -4.270 6.515 238 HB2 ASP 33 2HB ASP 33 -20.790 -6.752 5.374 239 HB3 ASP 33 1HB ASP 33 -22.452 -6.571 5.925 240 H GLY 34 H GLY 34 -18.827 -5.541 6.822 241 HA2 GLY 34 2HA GLY 34 -17.778 -5.567 9.002 242 HA3 GLY 34 1HA GLY 34 -19.346 -5.948 9.695 243 H ASP 35 H ASP 35 -18.276 -7.531 6.793 244 HA ASP 35 HA ASP 35 -18.040 -10.030 8.317 245 HB2 ASP 35 2HB ASP 35 -19.757 -9.651 6.370 246 HB3 ASP 35 1HB ASP 35 -18.360 -9.960 5.341 247 H LYS 36 H LYS 36 -16.267 -7.799 6.420 248 HA LYS 36 HA LYS 36 -14.000 -9.678 6.371 249 HB2 LYS 36 2HB LYS 36 -14.524 -7.567 4.277 250 HB3 LYS 36 1HB LYS 36 -13.268 -8.798 4.255 251 HG2 LYS 36 2HG LYS 36 -15.285 -10.450 4.337 252 HG3 LYS 36 1HG LYS 36 -16.190 -9.061 3.734 253 HD2 LYS 36 2HD LYS 36 -15.387 -9.359 1.680 254 HD3 LYS 36 1HD LYS 36 -13.727 -9.348 2.278 255 HE2 LYS 36 2HE LYS 36 -13.846 -11.452 1.366 256 HE3 LYS 36 1HE LYS 36 -14.309 -11.787 3.034 257 HZ1 LYS 36 3HZ LYS 36 -16.531 -12.011 2.452 258 HZ2 LYS 36 1HZ LYS 36 -15.726 -12.768 1.171 259 HZ3 LYS 36 2HZ LYS 36 -16.345 -11.207 0.977 260 H VAL 37 H VAL 37 -12.053 -8.918 7.035 261 HA VAL 37 HA VAL 37 -11.749 -6.060 7.530 262 HB VAL 37 HB VAL 37 -12.531 -7.703 9.590 263 HG11 VAL 37 1HG1 VAL 37 -10.270 -8.785 9.522 264 HG12 VAL 37 2HG1 VAL 37 -10.707 -8.071 11.074 265 HG13 VAL 37 3HG1 VAL 37 -9.585 -7.232 10.003 266 HG21 VAL 37 3HG2 VAL 37 -12.711 -5.303 9.570 267 HG22 VAL 37 1HG2 VAL 37 -10.961 -5.135 9.709 268 HG23 VAL 37 2HG2 VAL 37 -11.890 -5.818 11.044 269 H HIS 38 H HIS 38 -9.541 -5.416 7.958 270 HA HIS 38 HA HIS 38 -7.412 -7.321 7.597 271 HB2 HIS 38 2HB HIS 38 -8.386 -6.637 5.257 272 HB3 HIS 38 1HB HIS 38 -7.486 -5.149 5.533 273 HD1 HIS 38 1HD HIS 38 -6.747 -8.887 5.669 274 HD2 HIS 38 2HD HIS 38 -4.981 -5.296 4.550 275 HE1 HIS 38 1HE HIS 38 -4.501 -9.509 4.724 276 HE2 HIS 38 2HE HIS 38 -3.485 -7.328 3.976 277 H THR 39 H THR 39 -5.388 -6.488 8.188 278 HA THR 39 HA THR 39 -5.396 -3.698 9.128 279 HB THR 39 HB THR 39 -4.089 -5.985 10.602 280 HG1 THR 39 1HG THR 39 -5.835 -5.954 11.963 281 HG21 THR 39 3HG2 THR 39 -4.836 -3.306 11.709 282 HG22 THR 39 1HG2 THR 39 -3.268 -3.605 10.959 283 HG23 THR 39 2HG2 THR 39 -3.754 -4.523 12.385 284 H VAL 40 H VAL 40 -3.660 -2.514 8.634 285 HA VAL 40 HA VAL 40 -1.257 -3.877 7.614 286 HB VAL 40 HB VAL 40 -2.844 -1.708 6.344 287 HG11 VAL 40 1HG1 VAL 40 0.137 -1.808 6.412 288 HG12 VAL 40 2HG1 VAL 40 -0.940 -0.412 6.443 289 HG13 VAL 40 3HG1 VAL 40 -0.678 -1.287 4.935 290 HG21 VAL 40 3HG2 VAL 40 -1.452 -4.211 5.558 291 HG22 VAL 40 1HG2 VAL 40 -1.792 -2.989 4.329 292 HG23 VAL 40 2HG2 VAL 40 -3.118 -3.705 5.246 293 H VAL 41 H VAL 41 0.567 -3.226 8.519 294 HA VAL 41 HA VAL 41 0.393 -0.861 10.236 295 HB VAL 41 HB VAL 41 2.384 -3.131 10.304 296 HG11 VAL 41 1HG1 VAL 41 2.689 -1.683 12.635 297 HG12 VAL 41 2HG1 VAL 41 2.533 -0.434 11.400 298 HG13 VAL 41 3HG1 VAL 41 3.788 -1.663 11.254 299 HG21 VAL 41 3HG2 VAL 41 -0.024 -2.361 11.886 300 HG22 VAL 41 1HG2 VAL 41 1.295 -3.220 12.685 301 HG23 VAL 41 2HG2 VAL 41 0.478 -3.951 11.303 302 H LEU 42 H LEU 42 0.842 0.867 9.061 303 HA LEU 42 HA LEU 42 2.433 1.139 6.855 304 HB2 LEU 42 2HB LEU 42 1.825 3.088 9.062 305 HB3 LEU 42 1HB LEU 42 2.741 3.547 7.641 306 HG LEU 42 HG LEU 42 0.538 4.241 7.204 307 HD11 LEU 42 1HD1 LEU 42 0.749 1.550 5.870 308 HD12 LEU 42 2HD1 LEU 42 1.632 2.989 5.358 309 HD13 LEU 42 3HD1 LEU 42 -0.131 2.964 5.291 310 HD21 LEU 42 3HD2 LEU 42 -0.570 1.522 7.827 311 HD22 LEU 42 1HD2 LEU 42 -1.428 3.054 7.658 312 HD23 LEU 42 2HD2 LEU 42 -0.408 2.765 9.067 313 H SER 43 H SER 43 3.448 0.806 10.162 314 HA SER 43 HA SER 43 6.035 1.852 9.995 315 HB2 SER 43 2HB SER 43 4.706 0.986 12.058 316 HB3 SER 43 1HB SER 43 5.419 -0.574 11.653 317 HG SER 43 HG SER 43 7.005 0.182 12.827 318 H THR 44 H THR 44 4.700 -1.169 8.941 319 HA THR 44 HA THR 44 7.338 -2.211 8.238 320 HB THR 44 HB THR 44 6.372 -4.321 8.025 321 HG1 THR 44 1HG THR 44 3.849 -3.063 7.714 322 HG21 THR 44 3HG2 THR 44 4.513 -2.994 9.981 323 HG22 THR 44 1HG2 THR 44 6.136 -3.576 10.355 324 HG23 THR 44 2HG2 THR 44 4.878 -4.717 9.875 325 H ILE 45 H ILE 45 4.351 -1.110 6.852 326 HA ILE 45 HA ILE 45 4.567 -1.847 4.229 327 HB ILE 45 HB ILE 45 3.647 0.872 5.165 328 HG12 ILE 45 2HG1 ILE 45 2.444 -0.790 6.413 329 HG13 ILE 45 1HG1 ILE 45 1.373 -0.198 5.151 330 HG21 ILE 45 1HG2 ILE 45 2.324 -0.409 2.887 331 HG22 ILE 45 2HG2 ILE 45 4.003 0.046 2.601 332 HG23 ILE 45 3HG2 ILE 45 2.836 1.263 3.113 333 HD11 ILE 45 3HD1 ILE 45 2.211 -2.865 5.703 334 HD12 ILE 45 1HD1 ILE 45 2.721 -2.415 4.078 335 HD13 ILE 45 2HD1 ILE 45 1.024 -2.287 4.534 336 H ASP 46 H ASP 46 6.446 -1.835 3.152 337 HA ASP 46 HA ASP 46 8.555 -0.070 3.406 338 HB2 ASP 46 2HB ASP 46 8.410 -2.298 2.113 339 HB3 ASP 46 1HB ASP 46 7.851 -1.318 0.760 340 H LYS 47 H LYS 47 5.657 0.204 1.422 341 HA LYS 47 HA LYS 47 5.848 3.011 1.259 342 HB2 LYS 47 2HB LYS 47 6.066 3.004 -1.328 343 HB3 LYS 47 1HB LYS 47 7.521 2.904 -0.347 344 HG2 LYS 47 2HG LYS 47 6.371 0.309 -1.034 345 HG3 LYS 47 1HG LYS 47 6.898 1.258 -2.423 346 HD2 LYS 47 2HD LYS 47 8.803 1.275 -0.208 347 HD3 LYS 47 1HD LYS 47 8.505 -0.335 -0.866 348 HE2 LYS 47 2HE LYS 47 8.949 1.874 -2.795 349 HE3 LYS 47 1HE LYS 47 10.343 1.311 -1.872 350 HZ1 LYS 47 3HZ LYS 47 8.580 -0.376 -3.565 351 HZ2 LYS 47 1HZ LYS 47 9.892 -0.939 -2.656 352 HZ3 LYS 47 2HZ LYS 47 10.151 0.117 -3.951 353 H LEU 48 H LEU 48 4.322 3.772 -0.680 354 HA LEU 48 HA LEU 48 2.082 1.926 -0.970 355 HB2 LEU 48 2HB LEU 48 0.439 3.476 -0.214 356 HB3 LEU 48 1HB LEU 48 1.643 3.309 1.043 357 HG LEU 48 HG LEU 48 1.239 5.570 1.081 358 HD11 LEU 48 1HD1 LEU 48 3.144 6.702 0.299 359 HD12 LEU 48 2HD1 LEU 48 3.381 5.557 -1.019 360 HD13 LEU 48 3HD1 LEU 48 3.665 5.055 0.646 361 HD21 LEU 48 3HD2 LEU 48 -0.288 5.643 -0.798 362 HD22 LEU 48 1HD2 LEU 48 1.063 5.563 -1.925 363 HD23 LEU 48 2HD2 LEU 48 0.866 6.973 -0.886 364 H GLN 49 H GLN 49 0.545 2.587 -2.638 365 HA GLN 49 HA GLN 49 1.661 4.527 -4.543 366 HB2 GLN 49 2HB GLN 49 0.590 1.851 -5.418 367 HB3 GLN 49 1HB GLN 49 1.441 3.041 -6.390 368 HG2 GLN 49 2HG GLN 49 3.288 1.884 -6.010 369 HG3 GLN 49 1HG GLN 49 3.210 2.453 -4.343 370 HE21 GLN 49 1HE2 GLN 49 2.444 1.088 -2.742 371 HE22 GLN 49 2HE2 GLN 49 2.273 -0.622 -2.985 372 H ALA 50 H ALA 50 0.089 4.949 -6.375 373 HA ALA 50 HA ALA 50 -2.697 4.508 -5.873 374 HB1 ALA 50 1HB ALA 50 -1.620 7.304 -5.533 375 HB2 ALA 50 2HB ALA 50 -2.285 6.286 -4.255 376 HB3 ALA 50 3HB ALA 50 -3.324 6.850 -5.564 377 H THR 51 H THR 51 -3.792 4.571 -7.735 378 HA THR 51 HA THR 51 -2.548 4.787 -10.206 379 HB THR 51 HB THR 51 -5.089 5.296 -10.905 380 HG1 THR 51 1HG THR 51 -5.785 5.625 -8.773 381 HG21 THR 51 3HG2 THR 51 -3.535 2.997 -10.676 382 HG22 THR 51 1HG2 THR 51 -5.049 3.187 -11.558 383 HG23 THR 51 2HG2 THR 51 -5.067 2.613 -9.890 384 HA PRO 52 HA PRO 52 -1.803 9.264 -10.186 385 HB2 PRO 52 2HB PRO 52 -0.870 9.093 -12.818 386 HB3 PRO 52 1HB PRO 52 0.123 8.995 -11.359 387 HG2 PRO 52 2HG PRO 52 -1.059 6.785 -12.993 388 HG3 PRO 52 1HG PRO 52 0.563 6.904 -12.286 389 HD2 PRO 52 2HD PRO 52 -1.238 5.396 -11.132 390 HD3 PRO 52 1HD PRO 52 -0.249 6.477 -10.123 391 H ALA 53 H ALA 53 -2.546 11.021 -11.566 392 HA ALA 53 HA ALA 53 -5.239 10.773 -12.313 393 HB1 ALA 53 1HB ALA 53 -4.804 12.939 -11.828 394 HB2 ALA 53 2HB ALA 53 -4.561 13.033 -13.572 395 HB3 ALA 53 3HB ALA 53 -3.173 12.877 -12.496 396 H SER 54 H SER 54 -2.418 9.887 -14.011 397 HA SER 54 HA SER 54 -3.465 10.309 -16.655 398 HB2 SER 54 2HB SER 54 -1.253 8.379 -16.265 399 HB3 SER 54 1HB SER 54 -1.393 9.722 -17.401 400 HG SER 54 HG SER 54 -0.598 11.071 -15.935 401 H SER 55 H SER 55 -3.694 7.853 -14.270 402 HA SER 55 HA SER 55 -4.545 5.844 -16.212 403 HB2 SER 55 2HB SER 55 -4.406 5.490 -13.219 404 HB3 SER 55 1HB SER 55 -4.372 4.244 -14.467 405 HG SER 55 HG SER 55 -2.296 4.865 -13.461 406 H GLU 56 H GLU 56 -6.616 5.438 -16.634 407 HA GLU 56 HA GLU 56 -8.681 7.000 -15.469 408 HB2 GLU 56 2HB GLU 56 -8.439 5.014 -17.609 409 HB3 GLU 56 1HB GLU 56 -9.987 4.962 -16.776 410 HG2 GLU 56 2HG GLU 56 -9.092 7.655 -17.486 411 HG3 GLU 56 1HG GLU 56 -9.381 6.592 -18.862 412 H LYS 57 H LYS 57 -7.316 3.926 -14.725 413 HA LYS 57 HA LYS 57 -9.569 3.017 -13.170 414 HB2 LYS 57 2HB LYS 57 -6.808 1.964 -13.712 415 HB3 LYS 57 1HB LYS 57 -7.825 1.239 -12.477 416 HG2 LYS 57 2HG LYS 57 -7.789 0.236 -14.850 417 HG3 LYS 57 1HG LYS 57 -9.329 0.408 -14.012 418 HD2 LYS 57 2HD LYS 57 -9.657 1.137 -16.253 419 HD3 LYS 57 1HD LYS 57 -9.633 2.582 -15.242 420 HE2 LYS 57 2HE LYS 57 -8.014 3.409 -16.513 421 HE3 LYS 57 1HE LYS 57 -6.969 2.081 -16.014 422 HZ1 LYS 57 3HZ LYS 57 -8.429 2.459 -18.497 423 HZ2 LYS 57 1HZ LYS 57 -8.423 0.881 -17.886 424 HZ3 LYS 57 2HZ LYS 57 -6.962 1.666 -18.213 425 H MET 58 H MET 58 -9.760 3.034 -10.964 426 HA MET 58 HA MET 58 -7.765 4.641 -9.517 427 HB2 MET 58 2HB MET 58 -10.718 4.436 -9.378 428 HB3 MET 58 1HB MET 58 -9.880 4.637 -7.846 429 HG2 MET 58 2HG MET 58 -9.687 6.461 -10.231 430 HG3 MET 58 1HG MET 58 -10.575 6.776 -8.742 431 HE1 MET 58 3HE MET 58 -8.113 5.091 -7.051 432 HE2 MET 58 1HE MET 58 -9.022 6.393 -6.284 433 HE3 MET 58 2HE MET 58 -7.260 6.459 -6.336 434 H MET 59 H MET 59 -6.364 3.312 -8.542 435 HA MET 59 HA MET 59 -7.340 1.494 -6.525 436 HB2 MET 59 2HB MET 59 -5.519 0.342 -8.629 437 HB3 MET 59 1HB MET 59 -6.371 -0.507 -7.349 438 HG2 MET 59 2HG MET 59 -8.502 -0.009 -8.456 439 HG3 MET 59 1HG MET 59 -7.624 0.801 -9.752 440 HE1 MET 59 3HE MET 59 -5.466 -0.312 -10.517 441 HE2 MET 59 1HE MET 59 -5.841 -1.583 -11.680 442 HE3 MET 59 2HE MET 59 -5.059 -1.989 -10.153 443 H LEU 60 H LEU 60 -5.898 1.218 -4.882 444 HA LEU 60 HA LEU 60 -3.255 2.480 -5.238 445 HB2 LEU 60 2HB LEU 60 -5.156 2.446 -2.924 446 HB3 LEU 60 1HB LEU 60 -3.441 2.671 -2.645 447 HG LEU 60 HG LEU 60 -3.471 4.664 -4.091 448 HD11 LEU 60 1HD1 LEU 60 -5.121 4.614 -5.626 449 HD12 LEU 60 2HD1 LEU 60 -6.014 5.476 -4.373 450 HD13 LEU 60 3HD1 LEU 60 -6.227 3.735 -4.570 451 HD21 LEU 60 3HD2 LEU 60 -4.770 4.368 -1.538 452 HD22 LEU 60 1HD2 LEU 60 -5.479 5.700 -2.451 453 HD23 LEU 60 2HD2 LEU 60 -3.746 5.675 -2.133 454 H ARG 61 H ARG 61 -1.442 1.466 -4.407 455 HA ARG 61 HA ARG 61 -1.844 -1.325 -3.553 456 HB2 ARG 61 2HB ARG 61 0.122 -0.054 -5.390 457 HB3 ARG 61 1HB ARG 61 0.686 -1.394 -4.400 458 HG2 ARG 61 2HG ARG 61 -1.630 -2.409 -5.374 459 HG3 ARG 61 1HG ARG 61 -1.117 -1.378 -6.710 460 HD2 ARG 61 2HD ARG 61 0.971 -3.069 -5.486 461 HD3 ARG 61 1HD ARG 61 -0.289 -3.916 -6.383 462 HE ARG 61 HE ARG 61 0.759 -1.715 -7.856 463 HH11 ARG 61 1HH1 ARG 61 1.411 -5.016 -6.932 464 HH12 ARG 61 2HH1 ARG 61 2.402 -5.340 -8.314 465 HH21 ARG 61 1HH2 ARG 61 2.062 -2.138 -9.675 466 HH22 ARG 61 2HH2 ARG 61 2.773 -3.705 -9.872 467 H LEU 62 H LEU 62 -0.549 -2.159 -1.899 468 HA LEU 62 HA LEU 62 0.962 -0.166 -0.350 469 HB2 LEU 62 2HB LEU 62 -1.449 -1.164 0.414 470 HB3 LEU 62 1HB LEU 62 -0.364 -2.308 1.172 471 HG LEU 62 HG LEU 62 0.263 -0.848 2.772 472 HD11 LEU 62 1HD1 LEU 62 1.590 0.558 1.339 473 HD12 LEU 62 2HD1 LEU 62 0.626 1.569 2.413 474 HD13 LEU 62 3HD1 LEU 62 0.147 1.363 0.725 475 HD21 LEU 62 3HD2 LEU 62 -1.445 0.817 3.318 476 HD22 LEU 62 1HD2 LEU 62 -2.155 -0.730 2.848 477 HD23 LEU 62 2HD2 LEU 62 -2.136 0.616 1.707 478 H ILE 63 H ILE 63 3.020 -0.743 -0.183 479 HA ILE 63 HA ILE 63 3.819 -3.505 -0.600 480 HB ILE 63 HB ILE 63 5.545 -1.087 -0.056 481 HG12 ILE 63 2HG1 ILE 63 4.199 -0.862 -2.122 482 HG13 ILE 63 1HG1 ILE 63 5.922 -1.003 -2.461 483 HG21 ILE 63 1HG2 ILE 63 6.185 -3.871 -1.001 484 HG22 ILE 63 2HG2 ILE 63 6.758 -3.066 0.459 485 HG23 ILE 63 3HG2 ILE 63 7.309 -2.518 -1.123 486 HD11 ILE 63 3HD1 ILE 63 5.036 -3.609 -2.522 487 HD12 ILE 63 1HD1 ILE 63 5.361 -2.576 -3.915 488 HD13 ILE 63 2HD1 ILE 63 3.723 -2.697 -3.272 489 H GLY 64 H GLY 64 5.258 -4.610 0.880 490 HA2 GLY 64 2HA GLY 64 4.932 -3.710 3.680 491 HA3 GLY 64 1HA GLY 64 4.732 -5.391 3.209 492 H LYS 65 H LYS 65 6.558 -4.464 5.193 493 HA LYS 65 HA LYS 65 9.176 -4.186 4.172 494 HB2 LYS 65 2HB LYS 65 8.019 -4.068 6.673 495 HB3 LYS 65 1HB LYS 65 9.002 -5.523 6.771 496 HG2 LYS 65 2HG LYS 65 10.172 -3.494 7.542 497 HG3 LYS 65 1HG LYS 65 10.981 -4.297 6.197 498 HD2 LYS 65 2HD LYS 65 10.925 -2.402 5.038 499 HD3 LYS 65 1HD LYS 65 9.162 -2.420 5.100 500 HE2 LYS 65 2HE LYS 65 10.225 -1.537 7.618 501 HE3 LYS 65 1HE LYS 65 10.915 -0.583 6.307 502 HZ1 LYS 65 3HZ LYS 65 9.034 0.588 6.533 503 HZ2 LYS 65 1HZ LYS 65 8.197 -0.668 7.298 504 HZ3 LYS 65 2HZ LYS 65 8.334 -0.646 5.613 505 H VAL 66 H VAL 66 10.741 -5.657 3.668 506 HA VAL 66 HA VAL 66 9.916 -8.442 3.508 507 HB VAL 66 HB VAL 66 10.376 -7.314 1.391 508 HG11 VAL 66 1HG1 VAL 66 11.987 -5.801 1.312 509 HG12 VAL 66 2HG1 VAL 66 13.142 -7.133 1.273 510 HG13 VAL 66 3HG1 VAL 66 12.706 -6.388 2.811 511 HG21 VAL 66 3HG2 VAL 66 12.507 -8.993 0.936 512 HG22 VAL 66 1HG2 VAL 66 10.802 -9.432 0.844 513 HG23 VAL 66 2HG2 VAL 66 11.708 -9.723 2.328 514 H ASP 67 H ASP 67 13.027 -8.362 2.948 515 HA ASP 67 HA ASP 67 14.328 -8.105 5.391 516 HB2 ASP 67 2HB ASP 67 12.672 -10.206 5.620 517 HB3 ASP 67 1HB ASP 67 14.058 -11.024 4.905 518 H GLU 68 H GLU 68 16.138 -7.432 4.402 519 HA GLU 68 HA GLU 68 17.255 -9.036 2.221 520 HB2 GLU 68 2HB GLU 68 18.212 -6.351 3.215 521 HB3 GLU 68 1HB GLU 68 18.629 -7.137 1.698 522 HG2 GLU 68 2HG GLU 68 16.742 -6.471 0.679 523 HG3 GLU 68 1HG GLU 68 15.760 -6.673 2.128 524 H SER 69 H SER 69 17.342 -9.853 5.058 525 HA SER 69 HA SER 69 20.256 -9.835 5.477 526 HB2 SER 69 2HB SER 69 18.410 -8.994 7.252 527 HB3 SER 69 1HB SER 69 18.482 -10.702 7.688 528 HG SER 69 HG SER 69 20.568 -10.490 8.247 529 H LYS 70 H LYS 70 17.526 -11.796 4.811 530 HA LYS 70 HA LYS 70 18.858 -14.257 5.610 531 HB2 LYS 70 2HB LYS 70 16.177 -13.889 4.262 532 HB3 LYS 70 1HB LYS 70 16.787 -15.368 4.994 533 HG2 LYS 70 2HG LYS 70 16.694 -13.016 6.762 534 HG3 LYS 70 1HG LYS 70 15.133 -13.646 6.230 535 HD2 LYS 70 2HD LYS 70 17.253 -15.461 7.332 536 HD3 LYS 70 1HD LYS 70 16.153 -14.585 8.398 537 HE2 LYS 70 2HE LYS 70 14.405 -15.632 6.616 538 HE3 LYS 70 1HE LYS 70 15.651 -16.879 6.623 539 HZ1 LYS 70 3HZ LYS 70 15.437 -16.656 9.176 540 HZ2 LYS 70 1HZ LYS 70 14.276 -17.544 8.322 541 HZ3 LYS 70 2HZ LYS 70 13.932 -15.967 8.829 542 H LYS 71 H LYS 71 17.218 -13.183 2.626 543 HA LYS 71 HA LYS 71 17.669 -13.549 0.427 544 HB2 LYS 71 2HB LYS 71 20.390 -13.515 1.657 545 HB3 LYS 71 1HB LYS 71 20.232 -14.030 -0.017 546 HG2 LYS 71 2HG LYS 71 18.873 -11.516 0.736 547 HG3 LYS 71 1HG LYS 71 20.638 -11.495 0.694 548 HD2 LYS 71 2HD LYS 71 19.199 -12.730 -1.596 549 HD3 LYS 71 1HD LYS 71 19.182 -10.970 -1.457 550 HE2 LYS 71 2HE LYS 71 21.798 -11.472 -1.018 551 HE3 LYS 71 1HE LYS 71 21.397 -12.806 -2.098 552 HZ1 LYS 71 3HZ LYS 71 20.688 -11.303 -3.761 553 HZ2 LYS 71 1HZ LYS 71 22.180 -10.724 -3.208 554 HZ3 LYS 71 2HZ LYS 71 20.745 -9.979 -2.709 555 H ARG 72 H ARG 72 16.682 -15.363 -0.218 556 HA ARG 72 HA ARG 72 18.210 -17.861 -0.078 557 HB2 ARG 72 2HB ARG 72 15.973 -19.040 0.340 558 HB3 ARG 72 1HB ARG 72 16.721 -18.216 1.701 559 HG2 ARG 72 2HG ARG 72 14.550 -17.534 1.917 560 HG3 ARG 72 1HG ARG 72 15.209 -16.221 0.940 561 HD2 ARG 72 2HD ARG 72 13.083 -16.928 0.034 562 HD3 ARG 72 1HD ARG 72 14.378 -17.347 -1.088 563 HE ARG 72 HE ARG 72 13.898 -19.565 -0.768 564 HH11 ARG 72 1HH1 ARG 72 12.312 -17.689 1.711 565 HH12 ARG 72 2HH1 ARG 72 11.390 -19.028 2.308 566 HH21 ARG 72 1HH2 ARG 72 12.686 -21.326 0.017 567 HH22 ARG 72 2HH2 ARG 72 11.602 -21.092 1.347 568 H LYS 73 H LYS 73 17.071 -19.580 -1.497 569 HA LYS 73 HA LYS 73 16.759 -18.410 -4.113 570 HB2 LYS 73 2HB LYS 73 16.626 -21.300 -3.233 571 HB3 LYS 73 1HB LYS 73 16.683 -20.742 -4.899 572 HG2 LYS 73 2HG LYS 73 18.874 -21.317 -4.507 573 HG3 LYS 73 1HG LYS 73 18.887 -19.586 -4.169 574 HD2 LYS 73 2HD LYS 73 19.110 -19.892 -1.905 575 HD3 LYS 73 1HD LYS 73 18.324 -21.472 -1.934 576 HE2 LYS 73 2HE LYS 73 20.248 -22.557 -2.632 577 HE3 LYS 73 1HE LYS 73 20.964 -21.083 -3.282 578 HZ1 LYS 73 3HZ LYS 73 21.452 -20.315 -1.117 579 HZ2 LYS 73 1HZ LYS 73 21.965 -21.925 -1.166 580 HZ3 LYS 73 2HZ LYS 73 20.521 -21.521 -0.385 581 H ASP 74 H ASP 74 15.007 -19.811 -5.491 582 HA ASP 74 HA ASP 74 12.442 -19.239 -4.172 583 HB2 ASP 74 2HB ASP 74 13.298 -18.163 -6.460 584 HB3 ASP 74 1HB ASP 74 12.601 -19.639 -7.120 585 H ASN 75 H ASN 75 13.938 -21.707 -3.826 586 HA ASN 75 HA ASN 75 13.436 -23.911 -3.563 587 HB2 ASN 75 2HB ASN 75 10.857 -23.352 -5.023 588 HB3 ASN 75 1HB ASN 75 11.214 -24.728 -3.986 589 HD21 ASN 75 1HD2 ASN 75 11.028 -24.530 -1.810 590 HD22 ASN 75 2HD2 ASN 75 10.435 -23.112 -1.021 591 H GLU 76 H GLU 76 14.016 -22.414 -6.418 592 HA GLU 76 HA GLU 76 13.864 -24.860 -8.019 593 HB2 GLU 76 2HB GLU 76 14.744 -22.315 -9.252 594 HB3 GLU 76 1HB GLU 76 13.691 -23.567 -9.895 595 HG2 GLU 76 2HG GLU 76 11.865 -22.755 -8.499 596 HG3 GLU 76 1HG GLU 76 12.925 -21.514 -7.833 597 H GLY 77 H GLY 77 16.043 -22.586 -6.596 598 HA2 GLY 77 2HA GLY 77 18.259 -23.537 -6.019 599 HA3 GLY 77 1HA GLY 77 18.317 -24.141 -7.668 600 H ASN 78 H ASN 78 17.062 -20.972 -6.912 601 HA ASN 78 HA ASN 78 19.554 -19.745 -7.865 602 HB2 ASN 78 2HB ASN 78 16.821 -18.854 -8.791 603 HB3 ASN 78 1HB ASN 78 18.385 -18.295 -9.374 604 HD21 ASN 78 1HD2 ASN 78 15.837 -20.329 -9.957 605 HD22 ASN 78 2HD2 ASN 78 16.591 -21.392 -11.104 606 H GLU 79 H GLU 79 20.246 -18.515 -6.246 607 HA GLU 79 HA GLU 79 18.701 -17.598 -4.108 608 HB2 GLU 79 2HB GLU 79 21.366 -16.703 -5.193 609 HB3 GLU 79 1HB GLU 79 20.659 -15.999 -3.745 610 HG2 GLU 79 2HG GLU 79 20.957 -17.897 -2.505 611 HG3 GLU 79 1HG GLU 79 20.918 -18.956 -3.915 612 H VAL 80 H VAL 80 17.061 -16.219 -4.218 613 HA VAL 80 HA VAL 80 17.390 -13.786 -5.844 614 HB VAL 80 HB VAL 80 15.020 -13.817 -6.403 615 HG11 VAL 80 1HG1 VAL 80 15.225 -15.243 -8.163 616 HG12 VAL 80 2HG1 VAL 80 15.843 -16.561 -7.167 617 HG13 VAL 80 3HG1 VAL 80 16.905 -15.230 -7.627 618 HG21 VAL 80 3HG2 VAL 80 15.007 -16.216 -4.626 619 HG22 VAL 80 1HG2 VAL 80 13.854 -16.115 -5.957 620 HG23 VAL 80 2HG2 VAL 80 13.870 -14.870 -4.707 621 H VAL 81 H VAL 81 15.265 -12.336 -5.161 622 HA VAL 81 HA VAL 81 15.458 -12.090 -2.230 623 HB VAL 81 HB VAL 81 14.943 -9.840 -4.174 624 HG11 VAL 81 1HG1 VAL 81 15.863 -9.609 -1.328 625 HG12 VAL 81 2HG1 VAL 81 14.150 -9.727 -1.736 626 HG13 VAL 81 3HG1 VAL 81 15.114 -8.386 -2.354 627 HG21 VAL 81 3HG2 VAL 81 17.466 -11.018 -3.163 628 HG22 VAL 81 1HG2 VAL 81 17.366 -9.258 -3.227 629 HG23 VAL 81 2HG2 VAL 81 17.124 -10.208 -4.692 630 HA PRO 82 HA PRO 82 11.078 -13.292 -2.633 631 HB2 PRO 82 2HB PRO 82 11.315 -12.513 0.244 632 HB3 PRO 82 1HB PRO 82 10.526 -13.921 -0.479 633 HG2 PRO 82 2HG PRO 82 12.901 -14.157 0.698 634 HG3 PRO 82 1HG PRO 82 12.529 -15.049 -0.790 635 HD2 PRO 82 2HD PRO 82 14.249 -12.650 -0.398 636 HD3 PRO 82 1HD PRO 82 14.410 -13.980 -1.562 637 H LYS 83 H LYS 83 9.606 -11.919 -3.381 638 HA LYS 83 HA LYS 83 9.773 -9.128 -3.139 639 HB2 LYS 83 2HB LYS 83 7.748 -11.049 -4.172 640 HB3 LYS 83 1HB LYS 83 7.223 -9.399 -3.867 641 HG2 LYS 83 2HG LYS 83 7.886 -9.078 -5.986 642 HG3 LYS 83 1HG LYS 83 9.482 -8.923 -5.248 643 HD2 LYS 83 2HD LYS 83 10.051 -10.512 -6.743 644 HD3 LYS 83 1HD LYS 83 9.334 -11.607 -5.559 645 HE2 LYS 83 2HE LYS 83 8.326 -12.232 -7.563 646 HE3 LYS 83 1HE LYS 83 7.129 -11.183 -6.805 647 HZ1 LYS 83 3HZ LYS 83 8.704 -10.764 -9.209 648 HZ2 LYS 83 1HZ LYS 83 8.504 -9.406 -8.219 649 HZ3 LYS 83 2HZ LYS 83 7.150 -10.219 -8.824 650 HA PRO 84 HA PRO 84 7.884 -8.310 0.765 651 HB2 PRO 84 2HB PRO 84 6.895 -5.835 0.340 652 HB3 PRO 84 1HB PRO 84 8.626 -6.153 0.514 653 HG2 PRO 84 2HG PRO 84 7.005 -5.793 -1.972 654 HG3 PRO 84 1HG PRO 84 8.586 -5.108 -1.564 655 HD2 PRO 84 2HD PRO 84 8.317 -7.265 -3.170 656 HD3 PRO 84 1HD PRO 84 9.705 -7.059 -2.083 657 H GLN 85 H GLN 85 5.695 -7.100 1.529 658 HA GLN 85 HA GLN 85 3.562 -8.734 0.429 659 HB2 GLN 85 2HB GLN 85 3.330 -6.758 2.694 660 HB3 GLN 85 1HB GLN 85 2.304 -8.146 2.359 661 HG2 GLN 85 2HG GLN 85 4.106 -9.655 2.934 662 HG3 GLN 85 1HG GLN 85 5.193 -8.290 3.191 663 HE21 GLN 85 1HE2 GLN 85 1.861 -9.025 4.173 664 HE22 GLN 85 2HE2 GLN 85 2.119 -8.750 5.867 665 H ARG 86 H ARG 86 2.394 -8.015 -1.220 666 HA ARG 86 HA ARG 86 2.027 -5.115 -1.532 667 HB2 ARG 86 2HB ARG 86 3.008 -6.853 -3.349 668 HB3 ARG 86 1HB ARG 86 1.299 -6.929 -3.754 669 HG2 ARG 86 2HG ARG 86 1.253 -4.818 -4.562 670 HG3 ARG 86 1HG ARG 86 2.457 -4.233 -3.413 671 HD2 ARG 86 2HD ARG 86 4.177 -5.522 -4.706 672 HD3 ARG 86 1HD ARG 86 2.935 -5.837 -5.918 673 HE ARG 86 HE ARG 86 2.970 -3.104 -5.559 674 HH11 ARG 86 1HH1 ARG 86 5.240 -5.555 -6.572 675 HH12 ARG 86 2HH1 ARG 86 6.128 -4.483 -7.602 676 HH21 ARG 86 1HH2 ARG 86 4.137 -1.694 -6.914 677 HH22 ARG 86 2HH2 ARG 86 5.502 -2.291 -7.795 678 H HIS 87 H HIS 87 0.166 -4.451 -0.687 679 HA HIS 87 HA HIS 87 -2.178 -6.192 -0.764 680 HB2 HIS 87 2HB HIS 87 -1.851 -3.494 0.568 681 HB3 HIS 87 1HB HIS 87 -3.185 -4.619 0.793 682 HD1 HIS 87 1HD HIS 87 -2.159 -7.138 1.652 683 HD2 HIS 87 2HD HIS 87 -0.108 -3.654 2.610 684 HE1 HIS 87 1HE HIS 87 -0.708 -7.732 3.618 685 HE2 HIS 87 2HE HIS 87 0.458 -5.585 4.235 686 H MET 88 H MET 88 -3.447 -6.064 -2.489 687 HA MET 88 HA MET 88 -3.460 -3.679 -4.138 688 HB2 MET 88 2HB MET 88 -3.484 -6.200 -4.887 689 HB3 MET 88 1HB MET 88 -5.221 -6.038 -4.661 690 HG2 MET 88 2HG MET 88 -5.471 -4.689 -6.456 691 HG3 MET 88 1HG MET 88 -3.892 -3.935 -6.251 692 HE1 MET 88 3HE MET 88 -1.828 -5.263 -8.775 693 HE2 MET 88 1HE MET 88 -2.437 -3.956 -7.759 694 HE3 MET 88 2HE MET 88 -3.257 -4.356 -9.269 695 H PHE 89 H PHE 89 -4.719 -2.046 -3.543 696 HA PHE 89 HA PHE 89 -7.417 -2.654 -2.526 697 HB2 PHE 89 2HB PHE 89 -5.648 -0.265 -1.958 698 HB3 PHE 89 1HB PHE 89 -7.319 -0.418 -1.423 699 HD1 PHE 89 1HD PHE 89 -7.861 -2.541 -0.013 700 HD2 PHE 89 2HD PHE 89 -3.946 -0.970 -0.576 701 HE1 PHE 89 1HE PHE 89 -7.105 -3.708 2.016 702 HE2 PHE 89 2HE PHE 89 -3.182 -2.135 1.451 703 HZ PHE 89 HZ PHE 89 -4.762 -3.507 2.750 704 H SER 90 H SER 90 -9.109 -1.914 -3.662 705 HA SER 90 HA SER 90 -8.535 -0.188 -5.970 706 HB2 SER 90 2HB SER 90 -9.502 -2.188 -6.754 707 HB3 SER 90 1HB SER 90 -10.676 -2.239 -5.439 708 HG SER 90 HG SER 90 -11.970 -1.176 -6.688 709 H PHE 91 H PHE 91 -9.125 1.862 -5.848 710 HA PHE 91 HA PHE 91 -11.016 2.700 -3.799 711 HB2 PHE 91 2HB PHE 91 -9.075 4.152 -5.578 712 HB3 PHE 91 1HB PHE 91 -10.327 5.027 -4.701 713 HD1 PHE 91 2HD PHE 91 -8.197 2.133 -3.714 714 HD2 PHE 91 1HD PHE 91 -9.298 6.180 -2.992 715 HE1 PHE 91 2HE PHE 91 -6.773 2.156 -1.712 716 HE2 PHE 91 1HE PHE 91 -7.878 6.212 -0.985 717 HZ PHE 91 HZ PHE 91 -6.614 4.199 -0.339 718 H ASN 92 H ASN 92 -13.027 3.450 -4.172 719 HA ASN 92 HA ASN 92 -13.984 3.350 -6.944 720 HB2 ASN 92 2HB ASN 92 -16.226 3.119 -5.978 721 HB3 ASN 92 1HB ASN 92 -15.136 1.889 -5.345 722 HD21 ASN 92 1HD2 ASN 92 -17.064 1.956 -3.794 723 HD22 ASN 92 2HD2 ASN 92 -16.869 2.960 -2.402 724 H ASN 93 H ASN 93 -12.544 5.651 -5.734 725 HA ASN 93 HA ASN 93 -14.192 7.710 -6.782 726 HB2 ASN 93 2HB ASN 93 -14.808 7.093 -4.160 727 HB3 ASN 93 1HB ASN 93 -13.697 8.449 -3.995 728 HD21 ASN 93 1HD2 ASN 93 -14.717 10.292 -3.818 729 HD22 ASN 93 2HD2 ASN 93 -16.179 10.742 -4.641 730 H ARG 94 H ARG 94 -13.119 9.744 -6.898 731 HA ARG 94 HA ARG 94 -10.248 9.480 -6.940 732 HB2 ARG 94 2HB ARG 94 -10.353 11.835 -7.840 733 HB3 ARG 94 1HB ARG 94 -11.207 10.628 -8.790 734 HG2 ARG 94 2HG ARG 94 -13.312 11.380 -8.036 735 HG3 ARG 94 1HG ARG 94 -12.586 12.359 -6.759 736 HD2 ARG 94 2HD ARG 94 -11.564 13.801 -8.455 737 HD3 ARG 94 1HD ARG 94 -12.299 12.826 -9.726 738 HE ARG 94 HE ARG 94 -14.374 13.655 -8.111 739 HH11 ARG 94 1HH1 ARG 94 -11.915 15.184 -10.059 740 HH12 ARG 94 2HH1 ARG 94 -12.883 16.575 -10.414 741 HH21 ARG 94 1HH2 ARG 94 -15.649 15.482 -8.577 742 HH22 ARG 94 2HH2 ARG 94 -15.004 16.745 -9.572 743 H THR 95 H THR 95 -12.661 11.269 -5.083 744 HA THR 95 HA THR 95 -10.933 12.932 -3.665 745 HB THR 95 HB THR 95 -13.336 11.972 -2.317 746 HG1 THR 95 1HG THR 95 -14.732 12.860 -3.825 747 HG21 THR 95 3HG2 THR 95 -12.598 14.713 -3.250 748 HG22 THR 95 1HG2 THR 95 -12.146 14.043 -1.685 749 HG23 THR 95 2HG2 THR 95 -13.848 14.286 -2.081 750 H VAL 96 H VAL 96 -12.237 9.720 -2.922 751 HA VAL 96 HA VAL 96 -11.182 9.460 -0.348 752 HB VAL 96 HB VAL 96 -12.862 7.918 -1.280 753 HG11 VAL 96 1HG1 VAL 96 -11.240 6.025 -2.603 754 HG12 VAL 96 2HG1 VAL 96 -10.910 7.594 -3.335 755 HG13 VAL 96 3HG1 VAL 96 -12.562 6.984 -3.268 756 HG21 VAL 96 3HG2 VAL 96 -10.670 6.059 -0.632 757 HG22 VAL 96 1HG2 VAL 96 -12.257 6.250 0.112 758 HG23 VAL 96 2HG2 VAL 96 -10.948 7.355 0.531 759 H MET 97 H MET 97 -9.675 9.178 -3.465 760 HA MET 97 HA MET 97 -7.382 7.726 -2.630 761 HB2 MET 97 2HB MET 97 -7.938 7.724 -4.958 762 HB3 MET 97 1HB MET 97 -7.920 9.480 -5.021 763 HG2 MET 97 2HG MET 97 -5.493 9.430 -4.559 764 HG3 MET 97 1HG MET 97 -5.549 7.670 -4.630 765 HE1 MET 97 3HE MET 97 -5.774 10.836 -7.724 766 HE2 MET 97 1HE MET 97 -4.146 10.282 -7.333 767 HE3 MET 97 2HE MET 97 -5.220 10.838 -6.049 768 H ASP 98 H ASP 98 -8.129 11.124 -2.983 769 HA ASP 98 HA ASP 98 -5.551 12.126 -2.422 770 HB2 ASP 98 2HB ASP 98 -8.309 13.265 -2.457 771 HB3 ASP 98 1HB ASP 98 -7.039 14.191 -1.661 772 H ASN 99 H ASN 99 -8.136 10.983 -0.398 773 HA ASN 99 HA ASN 99 -7.096 12.154 2.019 774 HB2 ASN 99 2HB ASN 99 -9.296 10.181 1.430 775 HB3 ASN 99 1HB ASN 99 -8.810 10.558 3.081 776 HD21 ASN 99 1HD2 ASN 99 -9.675 12.197 0.056 777 HD22 ASN 99 2HD2 ASN 99 -10.609 13.453 0.807 778 H ILE 100 H ILE 100 -7.002 9.003 0.438 779 HA ILE 100 HA ILE 100 -5.531 7.809 2.634 780 HB ILE 100 HB ILE 100 -6.152 6.648 -0.084 781 HG12 ILE 100 2HG1 ILE 100 -8.159 7.303 1.299 782 HG13 ILE 100 1HG1 ILE 100 -8.059 5.592 0.899 783 HG21 ILE 100 1HG2 ILE 100 -5.920 4.527 1.536 784 HG22 ILE 100 2HG2 ILE 100 -4.794 5.626 2.332 785 HG23 ILE 100 3HG2 ILE 100 -4.565 5.206 0.635 786 HD11 ILE 100 3HD1 ILE 100 -8.756 5.840 3.176 787 HD12 ILE 100 1HD1 ILE 100 -7.372 6.872 3.531 788 HD13 ILE 100 2HD1 ILE 100 -7.126 5.169 3.145 789 H LYS 101 H LYS 101 -4.901 8.305 -0.845 790 HA LYS 101 HA LYS 101 -2.278 7.551 -0.974 791 HB2 LYS 101 2HB LYS 101 -3.577 8.212 -2.934 792 HB3 LYS 101 1HB LYS 101 -3.565 9.887 -2.397 793 HG2 LYS 101 2HG LYS 101 -0.894 9.254 -2.463 794 HG3 LYS 101 1HG LYS 101 -1.546 8.367 -3.841 795 HD2 LYS 101 2HD LYS 101 -2.213 11.257 -3.370 796 HD3 LYS 101 1HD LYS 101 -0.750 10.774 -4.231 797 HE2 LYS 101 2HE LYS 101 -2.235 9.419 -5.752 798 HE3 LYS 101 1HE LYS 101 -3.609 10.217 -4.988 799 HZ1 LYS 101 3HZ LYS 101 -1.526 11.989 -5.944 800 HZ2 LYS 101 1HZ LYS 101 -3.208 12.126 -6.069 801 HZ3 LYS 101 2HZ LYS 101 -2.356 11.148 -7.154 802 H MET 102 H MET 102 -3.555 10.598 0.242 803 HA MET 102 HA MET 102 -0.926 11.730 0.593 804 HB2 MET 102 2HB MET 102 -3.666 12.692 1.393 805 HB3 MET 102 1HB MET 102 -2.189 13.594 1.708 806 HG2 MET 102 2HG MET 102 -2.501 12.762 -1.075 807 HG3 MET 102 1HG MET 102 -3.765 13.848 -0.501 808 HE1 MET 102 3HE MET 102 -2.815 16.959 -0.246 809 HE2 MET 102 1HE MET 102 -1.825 16.567 1.160 810 HE3 MET 102 2HE MET 102 -3.353 15.727 0.893 811 H THR 103 H THR 103 -3.566 10.949 2.799 812 HA THR 103 HA THR 103 -2.231 11.306 5.187 813 HB THR 103 HB THR 103 -4.391 9.290 4.541 814 HG1 THR 103 1HG THR 103 -4.451 11.949 5.511 815 HG21 THR 103 3HG2 THR 103 -2.940 9.552 6.940 816 HG22 THR 103 1HG2 THR 103 -4.391 8.597 6.636 817 HG23 THR 103 2HG2 THR 103 -4.533 10.259 7.210 818 H LEU 104 H LEU 104 -2.165 8.521 3.037 819 HA LEU 104 HA LEU 104 -0.876 6.743 4.797 820 HB2 LEU 104 2HB LEU 104 -1.938 6.408 2.394 821 HB3 LEU 104 1HB LEU 104 -0.288 6.679 1.871 822 HG LEU 104 HG LEU 104 -0.532 4.342 2.002 823 HD11 LEU 104 1HD1 LEU 104 0.662 4.854 4.690 824 HD12 LEU 104 2HD1 LEU 104 1.452 5.468 3.238 825 HD13 LEU 104 3HD1 LEU 104 1.176 3.737 3.426 826 HD21 LEU 104 3HD2 LEU 104 -1.659 3.147 3.630 827 HD22 LEU 104 1HD2 LEU 104 -2.630 4.614 3.500 828 HD23 LEU 104 2HD2 LEU 104 -1.490 4.426 4.832 829 H GLN 105 H GLN 105 0.492 8.658 2.125 830 HA GLN 105 HA GLN 105 3.175 8.230 2.609 831 HB2 GLN 105 2HB GLN 105 1.627 9.935 0.985 832 HB3 GLN 105 1HB GLN 105 2.748 10.980 1.848 833 HG2 GLN 105 2HG GLN 105 4.597 9.493 1.084 834 HG3 GLN 105 1HG GLN 105 3.419 8.637 0.089 835 HE21 GLN 105 1HE2 GLN 105 2.306 9.855 -1.556 836 HE22 GLN 105 2HE2 GLN 105 3.100 11.205 -2.305 837 H GLN 106 H GLN 106 0.948 10.391 4.222 838 HA GLN 106 HA GLN 106 2.803 11.955 5.627 839 HB2 GLN 106 2HB GLN 106 -0.070 11.261 5.970 840 HB3 GLN 106 1HB GLN 106 0.764 11.972 7.342 841 HG2 GLN 106 2HG GLN 106 -0.510 13.442 5.578 842 HG3 GLN 106 1HG GLN 106 0.973 14.001 6.345 843 HE21 GLN 106 1HE2 GLN 106 2.936 13.882 5.144 844 HE22 GLN 106 2HE2 GLN 106 2.907 13.893 3.408 845 H ILE 107 H ILE 107 1.501 8.787 6.189 846 HA ILE 107 HA ILE 107 2.670 8.535 8.825 847 HB ILE 107 HB ILE 107 1.334 6.509 7.021 848 HG12 ILE 107 2HG1 ILE 107 0.137 7.194 9.617 849 HG13 ILE 107 1HG1 ILE 107 0.202 8.537 8.480 850 HG21 ILE 107 1HG2 ILE 107 2.341 6.199 9.844 851 HG22 ILE 107 2HG2 ILE 107 2.928 5.361 8.407 852 HG23 ILE 107 3HG2 ILE 107 1.301 5.043 9.013 853 HD11 ILE 107 3HD1 ILE 107 -1.908 7.309 8.359 854 HD12 ILE 107 1HD1 ILE 107 -1.023 5.848 7.920 855 HD13 ILE 107 2HD1 ILE 107 -1.015 7.242 6.840 856 H ILE 108 H ILE 108 3.322 7.572 5.537 857 HA ILE 108 HA ILE 108 5.379 5.742 5.829 858 HB ILE 108 HB ILE 108 5.252 7.906 3.726 859 HG12 ILE 108 2HG1 ILE 108 3.104 6.793 3.867 860 HG13 ILE 108 1HG1 ILE 108 3.936 6.308 2.398 861 HG21 ILE 108 1HG2 ILE 108 6.407 5.131 3.598 862 HG22 ILE 108 2HG2 ILE 108 7.336 6.621 3.775 863 HG23 ILE 108 3HG2 ILE 108 6.399 6.334 2.307 864 HD11 ILE 108 3HD1 ILE 108 3.180 4.295 3.096 865 HD12 ILE 108 1HD1 ILE 108 3.247 4.732 4.802 866 HD13 ILE 108 2HD1 ILE 108 4.729 4.322 3.939 867 H SER 109 H SER 109 5.724 9.227 5.249 868 HA SER 109 HA SER 109 8.439 9.483 5.519 869 HB2 SER 109 2HB SER 109 6.518 11.241 5.027 870 HB3 SER 109 1HB SER 109 6.749 11.618 6.734 871 HG SER 109 HG SER 109 9.069 11.754 6.132 872 H ARG 110 H ARG 110 6.126 8.950 8.035 873 HA ARG 110 HA ARG 110 7.538 9.885 10.253 874 HB2 ARG 110 2HB ARG 110 5.788 7.423 10.191 875 HB3 ARG 110 1HB ARG 110 6.166 8.417 11.590 876 HG2 ARG 110 2HG ARG 110 5.000 10.314 10.470 877 HG3 ARG 110 1HG ARG 110 4.497 9.185 9.210 878 HD2 ARG 110 2HD ARG 110 2.705 9.380 10.778 879 HD3 ARG 110 1HD ARG 110 3.438 7.790 10.990 880 HE ARG 110 HE ARG 110 4.727 9.315 12.815 881 HH11 ARG 110 1HH1 ARG 110 1.351 8.757 12.123 882 HH12 ARG 110 2HH1 ARG 110 0.847 8.997 13.763 883 HH21 ARG 110 1HH2 ARG 110 4.065 9.631 14.972 884 HH22 ARG 110 2HH2 ARG 110 2.388 9.493 15.380 885 H TYR 111 H TYR 111 8.027 7.066 8.292 886 HA TYR 111 HA TYR 111 10.007 6.032 10.200 887 HB2 TYR 111 2HB TYR 111 9.238 4.517 7.743 888 HB3 TYR 111 1HB TYR 111 9.694 3.915 9.333 889 HD1 TYR 111 2HD TYR 111 7.972 4.495 11.259 890 HD2 TYR 111 1HD TYR 111 7.020 4.388 7.114 891 HE1 TYR 111 2HE TYR 111 5.599 4.169 11.819 892 HE2 TYR 111 1HE TYR 111 4.644 4.063 7.662 893 HH TYR 111 HH TYR 111 3.574 3.316 10.831 894 H LYS 112 H LYS 112 10.352 8.353 8.357 895 HA LYS 112 HA LYS 112 12.787 7.377 7.036 896 HB2 LYS 112 2HB LYS 112 10.996 9.457 5.790 897 HB3 LYS 112 1HB LYS 112 12.361 8.627 5.057 898 HG2 LYS 112 2HG LYS 112 10.809 6.516 5.626 899 HG3 LYS 112 1HG LYS 112 9.569 7.751 5.397 900 HD2 LYS 112 2HD LYS 112 11.739 7.636 3.384 901 HD3 LYS 112 1HD LYS 112 10.574 6.308 3.381 902 HE2 LYS 112 2HE LYS 112 8.827 8.264 3.499 903 HE3 LYS 112 1HE LYS 112 10.156 9.210 2.829 904 HZ1 LYS 112 3HZ LYS 112 10.310 7.569 1.023 905 HZ2 LYS 112 1HZ LYS 112 8.808 8.348 1.060 906 HZ3 LYS 112 2HZ LYS 112 8.956 6.767 1.642 907 H ASP 113 H ASP 113 11.087 10.480 7.506 908 HA ASP 113 HA ASP 113 13.427 11.999 7.820 909 HB2 ASP 113 2HB ASP 113 10.826 12.623 7.485 910 HB3 ASP 113 1HB ASP 113 10.981 12.934 9.212 911 H ALA 114 H ALA 114 11.491 10.190 10.100 912 HA ALA 114 HA ALA 114 12.557 11.322 12.470 913 HB1 ALA 114 1HB ALA 114 10.554 10.197 12.790 914 HB2 ALA 114 2HB ALA 114 11.741 9.074 13.455 915 HB3 ALA 114 3HB ALA 114 11.071 8.799 11.845 916 H ASP 115 H ASP 115 13.289 8.268 10.779 917 HA ASP 115 HA ASP 115 15.437 7.549 12.470 918 HB2 ASP 115 2HB ASP 115 14.421 6.643 9.816 919 HB3 ASP 115 1HB ASP 115 16.049 6.164 10.284 920 H TYR 90 1HT TYR 90 4.150 -2.661 -19.681 921 HA TYR 90 HA TYR 90 4.061 -3.792 -17.585 922 HB2 TYR 90 2HB TYR 90 5.252 -1.028 -17.761 923 HB3 TYR 90 1HB TYR 90 5.563 -2.081 -16.385 924 HD1 TYR 90 1HD TYR 90 5.988 -1.738 -20.044 925 HD2 TYR 90 2HD TYR 90 7.122 -3.864 -16.537 926 HE1 TYR 90 1HE TYR 90 7.806 -2.822 -21.296 927 HE2 TYR 90 2HE TYR 90 8.944 -4.952 -17.779 928 HH TYR 90 HH TYR 90 10.349 -4.272 -19.962 929 H ASP 91 H ASP 91 4.102 -3.148 -15.143 930 HA ASP 91 HA ASP 91 1.428 -2.180 -14.527 931 HB2 ASP 91 2HB ASP 91 2.811 -4.278 -13.548 932 HB3 ASP 91 1HB ASP 91 3.223 -3.062 -12.342 933 H SER 92 H SER 92 3.958 -0.481 -15.190 934 HA SER 92 HA SER 92 4.027 1.164 -12.770 935 HB2 SER 92 2HB SER 92 5.834 0.783 -15.101 936 HB3 SER 92 1HB SER 92 5.796 2.389 -14.374 937 HG SER 92 HG SER 92 6.201 -0.007 -12.910 938 H GLU 93 H GLU 93 2.992 1.193 -16.107 939 HA GLU 93 HA GLU 93 2.570 3.944 -16.435 940 HB2 GLU 93 2HB GLU 93 1.446 1.484 -17.709 941 HB3 GLU 93 1HB GLU 93 0.705 3.040 -18.058 942 HG2 GLU 93 2HG GLU 93 3.632 2.962 -18.290 943 HG3 GLU 93 1HG GLU 93 2.750 1.974 -19.454 944 H GLU 94 H GLU 94 0.142 1.439 -15.676 945 HA GLU 94 HA GLU 94 -1.855 3.346 -14.982 946 HB2 GLU 94 2HB GLU 94 -1.606 0.367 -14.704 947 HB3 GLU 94 1HB GLU 94 -2.944 1.223 -13.950 948 HG2 GLU 94 2HG GLU 94 -3.657 2.069 -16.102 949 HG3 GLU 94 1HG GLU 94 -2.275 1.303 -16.884 950 H PHE 95 H PHE 95 0.171 1.147 -13.053 951 HA PHE 95 HA PHE 95 -0.613 2.610 -10.636 952 HB2 PHE 95 2HB PHE 95 -0.048 -0.146 -11.202 953 HB3 PHE 95 1HB PHE 95 1.075 0.432 -9.977 954 HD1 PHE 95 1HD PHE 95 -0.089 1.888 -8.075 955 HD2 PHE 95 2HD PHE 95 -2.043 -1.016 -10.495 956 HE1 PHE 95 1HE PHE 95 -1.833 1.636 -6.357 957 HE2 PHE 95 2HE PHE 95 -3.790 -1.273 -8.783 958 HZ PHE 95 HZ PHE 95 -3.687 0.053 -6.711 959 H GLU 96 H GLU 96 0.795 3.816 -9.487 960 HA GLU 96 HA GLU 96 3.648 3.673 -10.132 961 HB2 GLU 96 2HB GLU 96 2.463 5.494 -11.477 962 HB3 GLU 96 1HB GLU 96 2.226 6.324 -9.944 963 HG2 GLU 96 2HG GLU 96 4.173 7.303 -10.403 964 HG3 GLU 96 1HG GLU 96 4.889 5.786 -9.861 965 H ASP 97 H ASP 97 4.982 4.017 -8.424 966 HA ASP 97 HA ASP 97 3.822 4.002 -5.807 967 HB2 ASP 97 2HB ASP 97 6.739 4.314 -6.537 968 HB3 ASP 97 1HB ASP 97 6.082 3.773 -4.995 969 H VAL 98 H VAL 98 4.271 5.520 -4.111 970 HA VAL 98 HA VAL 98 5.015 8.214 -5.014 971 HB VAL 98 HB VAL 98 3.195 9.193 -3.669 972 HG11 VAL 98 1HG1 VAL 98 2.796 7.566 -6.077 973 HG12 VAL 98 2HG1 VAL 98 2.399 9.255 -5.768 974 HG13 VAL 98 3HG1 VAL 98 1.316 7.980 -5.212 975 HG21 VAL 98 3HG2 VAL 98 2.913 6.486 -2.764 976 HG22 VAL 98 1HG2 VAL 98 1.390 7.047 -3.452 977 HG23 VAL 98 2HG2 VAL 98 2.155 7.952 -2.147 978 H THR 99 H THR 99 6.801 8.647 -3.885 979 HA THR 99 HA THR 99 6.678 8.513 -0.979 980 HB THR 99 HB THR 99 9.183 7.595 -1.232 981 HG1 THR 99 1HG THR 99 9.504 6.866 -3.156 982 HG21 THR 99 3HG2 THR 99 6.991 6.573 -0.130 983 HG22 THR 99 1HG2 THR 99 8.485 5.655 -0.316 984 HG23 THR 99 2HG2 THR 99 7.172 5.447 -1.475 985 H ASP 100 H ASP 100 7.448 10.329 -0.133 986 HA ASP 100 HA ASP 100 9.060 12.089 -1.838 987 HB2 ASP 100 2HB ASP 100 6.811 12.657 -0.432 988 HB3 ASP 100 1HB ASP 100 8.042 13.107 0.745 989 H GLY 101 H GLY 101 10.267 13.707 -0.018 990 HA2 GLY 101 2HA GLY 101 11.609 12.303 2.064 991 HA3 GLY 101 1HA GLY 101 12.610 12.384 0.622 992 H ASN 102 H ASN 102 13.733 14.203 0.209 993 HA ASN 102 HA ASN 102 13.005 16.790 1.046 994 HB2 ASN 102 2HB ASN 102 13.810 15.439 3.211 995 HB3 ASN 102 1HB ASN 102 15.386 15.954 2.621 996 HD21 ASN 102 1HD2 ASN 102 12.426 16.914 4.078 997 HD22 ASN 102 2HD2 ASN 102 12.854 18.561 4.378 998 H GLU 103 H GLU 103 13.597 16.897 -1.219 999 HA GLU 103 HA GLU 103 16.478 16.807 -1.752 1000 HB2 GLU 103 2HB GLU 103 14.642 15.697 -3.239 1001 HB3 GLU 103 1HB GLU 103 14.397 17.329 -3.845 1002 HG2 GLU 103 2HG GLU 103 16.638 17.449 -4.644 1003 HG3 GLU 103 1HG GLU 103 17.059 15.933 -3.848 1004 H VAL 104 H VAL 104 17.629 18.576 -2.436 1005 HA VAL 104 HA VAL 104 16.212 21.139 -2.633 1006 HB VAL 104 HB VAL 104 17.062 20.989 -0.338 1007 HG11 VAL 104 1HG1 VAL 104 19.765 21.237 -0.420 1008 HG12 VAL 104 2HG1 VAL 104 19.485 20.084 -1.724 1009 HG13 VAL 104 3HG1 VAL 104 18.906 19.733 -0.095 1010 HG21 VAL 104 3HG2 VAL 104 17.221 23.108 -1.945 1011 HG22 VAL 104 1HG2 VAL 104 18.935 22.929 -1.568 1012 HG23 VAL 104 2HG2 VAL 104 17.763 23.149 -0.268 Start of MODEL 19 1 H2 PRO 1 1HT PRO 1 -11.891 10.871 8.523 2 H3 PRO 1 2HT PRO 1 -13.413 10.248 8.571 3 HA PRO 1 HA PRO 1 -13.348 10.200 6.526 4 HB2 PRO 1 2HB PRO 1 -13.396 13.003 5.888 5 HB3 PRO 1 1HB PRO 1 -14.736 11.851 5.898 6 HG2 PRO 1 2HG PRO 1 -14.461 13.895 7.706 7 HG3 PRO 1 1HG PRO 1 -15.357 12.400 8.023 8 HD2 PRO 1 2HD PRO 1 -12.566 13.147 8.843 9 HD3 PRO 1 1HD PRO 1 -13.833 12.335 9.783 10 H SER 2 H SER 2 -11.020 12.448 7.798 11 HA SER 2 HA SER 2 -9.487 12.790 5.440 12 HB2 SER 2 2HB SER 2 -8.636 13.065 8.333 13 HB3 SER 2 1HB SER 2 -7.749 13.680 6.939 14 HG SER 2 HG SER 2 -8.909 15.402 7.353 15 H HIS 3 H HIS 3 -8.562 11.017 8.395 16 HA HIS 3 HA HIS 3 -6.754 9.371 6.825 17 HB2 HIS 3 2HB HIS 3 -5.827 8.646 8.895 18 HB3 HIS 3 1HB HIS 3 -6.101 10.378 9.037 19 HD1 HIS 3 1HD HIS 3 -9.322 9.648 9.550 20 HD2 HIS 3 2HD HIS 3 -5.966 8.547 11.731 21 HE1 HIS 3 1HE HIS 3 -10.166 9.132 11.861 22 HE2 HIS 3 2HE HIS 3 -8.104 8.558 13.190 23 H SER 4 H SER 4 -9.217 8.791 5.983 24 HA SER 4 HA SER 4 -9.438 6.029 6.382 25 HB2 SER 4 2HB SER 4 -11.678 5.990 7.536 26 HB3 SER 4 1HB SER 4 -10.334 6.485 8.564 27 HG SER 4 HG SER 4 -11.971 8.346 7.201 28 H GLY 5 H GLY 5 -10.404 5.207 4.628 29 HA2 GLY 5 2HA GLY 5 -12.582 6.670 3.346 30 HA3 GLY 5 1HA GLY 5 -11.129 6.414 2.388 31 H ALA 6 H ALA 6 -13.752 5.399 1.801 32 HA ALA 6 HA ALA 6 -13.897 2.653 2.544 33 HB1 ALA 6 1HB ALA 6 -15.959 3.510 1.980 34 HB2 ALA 6 2HB ALA 6 -15.529 2.620 0.518 35 HB3 ALA 6 3HB ALA 6 -15.335 4.373 0.573 36 H ALA 7 H ALA 7 -12.291 1.334 1.994 37 HA ALA 7 HA ALA 7 -11.278 1.438 -0.773 38 HB1 ALA 7 1HB ALA 7 -9.682 1.817 1.194 39 HB2 ALA 7 2HB ALA 7 -9.206 0.634 -0.026 40 HB3 ALA 7 3HB ALA 7 -9.872 0.092 1.513 41 H ILE 8 H ILE 8 -10.872 -0.547 -1.878 42 HA ILE 8 HA ILE 8 -12.675 -2.695 -1.016 43 HB ILE 8 HB ILE 8 -11.716 -1.813 -3.711 44 HG12 ILE 8 2HG1 ILE 8 -14.426 -2.628 -3.658 45 HG13 ILE 8 1HG1 ILE 8 -14.141 -1.706 -2.186 46 HG21 ILE 8 1HG2 ILE 8 -12.836 -4.530 -3.048 47 HG22 ILE 8 2HG2 ILE 8 -11.277 -4.166 -3.787 48 HG23 ILE 8 3HG2 ILE 8 -12.769 -3.851 -4.674 49 HD11 ILE 8 3HD1 ILE 8 -14.931 -0.381 -4.124 50 HD12 ILE 8 1HD1 ILE 8 -13.394 -0.734 -4.914 51 HD13 ILE 8 2HD1 ILE 8 -13.421 0.175 -3.403 52 H PHE 9 H PHE 9 -12.007 -4.837 -0.948 53 HA PHE 9 HA PHE 9 -9.230 -5.473 -1.548 54 HB2 PHE 9 2HB PHE 9 -9.218 -4.712 0.812 55 HB3 PHE 9 1HB PHE 9 -10.415 -5.944 1.198 56 HD1 PHE 9 2HD PHE 9 -6.928 -5.361 0.185 57 HD2 PHE 9 1HD PHE 9 -9.797 -8.221 1.489 58 HE1 PHE 9 2HE PHE 9 -5.121 -6.977 0.603 59 HE2 PHE 9 1HE PHE 9 -7.995 -9.843 1.910 60 HZ PHE 9 HZ PHE 9 -5.653 -9.222 1.466 61 H GLU 10 H GLU 10 -8.950 -7.575 -2.168 62 HA GLU 10 HA GLU 10 -9.537 -9.633 -2.949 63 HB2 GLU 10 2HB GLU 10 -10.876 -9.437 -0.301 64 HB3 GLU 10 1HB GLU 10 -11.358 -10.763 -1.350 65 HG2 GLU 10 2HG GLU 10 -8.518 -10.177 -0.551 66 HG3 GLU 10 1HG GLU 10 -9.566 -11.342 0.257 67 H LYS 11 H LYS 11 -11.044 -7.276 -3.843 68 HA LYS 11 HA LYS 11 -12.630 -6.958 -5.458 69 HB2 LYS 11 2HB LYS 11 -13.804 -9.666 -4.857 70 HB3 LYS 11 1HB LYS 11 -13.960 -8.716 -6.326 71 HG2 LYS 11 2HG LYS 11 -12.041 -9.485 -7.179 72 HG3 LYS 11 1HG LYS 11 -11.200 -9.402 -5.630 73 HD2 LYS 11 2HD LYS 11 -11.672 -11.549 -5.115 74 HD3 LYS 11 1HD LYS 11 -13.284 -11.473 -5.830 75 HE2 LYS 11 2HE LYS 11 -11.780 -11.298 -8.052 76 HE3 LYS 11 1HE LYS 11 -10.703 -12.253 -7.034 77 HZ1 LYS 11 3HZ LYS 11 -13.499 -12.916 -7.777 78 HZ2 LYS 11 1HZ LYS 11 -12.582 -13.791 -6.655 79 HZ3 LYS 11 2HZ LYS 11 -12.096 -13.721 -8.273 80 H VAL 12 H VAL 12 -13.115 -7.402 -2.212 81 HA VAL 12 HA VAL 12 -15.950 -6.664 -2.365 82 HB VAL 12 HB VAL 12 -15.346 -8.612 -0.939 83 HG11 VAL 12 1HG1 VAL 12 -14.460 -7.698 1.410 84 HG12 VAL 12 2HG1 VAL 12 -13.590 -6.616 0.327 85 HG13 VAL 12 3HG1 VAL 12 -13.405 -8.361 0.166 86 HG21 VAL 12 3HG2 VAL 12 -17.107 -6.518 -0.419 87 HG22 VAL 12 1HG2 VAL 12 -16.350 -6.876 1.134 88 HG23 VAL 12 2HG2 VAL 12 -17.175 -8.152 0.239 89 H SER 13 H SER 13 -16.703 -4.777 -1.456 90 HA SER 13 HA SER 13 -14.656 -2.767 -0.990 91 HB2 SER 13 2HB SER 13 -16.603 -1.172 -1.028 92 HB3 SER 13 1HB SER 13 -16.374 -2.089 -2.516 93 HG SER 13 HG SER 13 -18.261 -2.959 -2.234 94 H GLY 14 H GLY 14 -14.220 -1.842 0.908 95 HA2 GLY 14 2HA GLY 14 -16.038 -2.342 3.165 96 HA3 GLY 14 1HA GLY 14 -14.337 -2.755 3.313 97 H ILE 15 H ILE 15 -13.691 -1.335 4.834 98 HA ILE 15 HA ILE 15 -13.740 1.496 4.070 99 HB ILE 15 HB ILE 15 -14.179 0.685 6.927 100 HG12 ILE 15 2HG1 ILE 15 -16.014 -0.183 5.411 101 HG13 ILE 15 1HG1 ILE 15 -16.534 0.897 6.699 102 HG21 ILE 15 1HG2 ILE 15 -15.218 3.056 6.869 103 HG22 ILE 15 2HG2 ILE 15 -14.321 3.227 5.359 104 HG23 ILE 15 3HG2 ILE 15 -13.458 2.885 6.867 105 HD11 ILE 15 3HD1 ILE 15 -15.997 1.888 3.924 106 HD12 ILE 15 1HD1 ILE 15 -16.938 2.648 5.208 107 HD13 ILE 15 2HD1 ILE 15 -17.557 1.208 4.396 108 H ILE 16 H ILE 16 -11.740 2.225 4.033 109 HA ILE 16 HA ILE 16 -9.703 0.840 5.605 110 HB ILE 16 HB ILE 16 -9.725 2.220 3.035 111 HG12 ILE 16 2HG1 ILE 16 -7.843 0.293 4.398 112 HG13 ILE 16 1HG1 ILE 16 -9.126 -0.113 3.267 113 HG21 ILE 16 1HG2 ILE 16 -7.528 3.189 3.111 114 HG22 ILE 16 2HG2 ILE 16 -7.365 2.772 4.818 115 HG23 ILE 16 3HG2 ILE 16 -8.559 3.969 4.309 116 HD11 ILE 16 3HD1 ILE 16 -6.420 0.454 2.720 117 HD12 ILE 16 1HD1 ILE 16 -7.386 1.748 2.013 118 HD13 ILE 16 2HD1 ILE 16 -7.711 0.069 1.582 119 H ALA 17 H ALA 17 -9.020 1.685 7.439 120 HA ALA 17 HA ALA 17 -9.130 4.594 7.793 121 HB1 ALA 17 1HB ALA 17 -10.071 2.754 9.969 122 HB2 ALA 17 2HB ALA 17 -11.174 3.399 8.746 123 HB3 ALA 17 3HB ALA 17 -10.298 4.498 9.820 124 H ILE 18 H ILE 18 -7.375 5.424 8.707 125 HA ILE 18 HA ILE 18 -5.225 3.651 9.478 126 HB ILE 18 HB ILE 18 -5.288 6.670 9.401 127 HG12 ILE 18 2HG1 ILE 18 -3.760 6.002 7.308 128 HG13 ILE 18 1HG1 ILE 18 -4.803 4.584 7.336 129 HG21 ILE 18 1HG2 ILE 18 -2.710 6.039 9.061 130 HG22 ILE 18 2HG2 ILE 18 -3.206 4.688 10.080 131 HG23 ILE 18 3HG2 ILE 18 -3.426 6.344 10.643 132 HD11 ILE 18 3HD1 ILE 18 -5.947 7.346 7.377 133 HD12 ILE 18 1HD1 ILE 18 -6.709 5.832 6.888 134 HD13 ILE 18 2HD1 ILE 18 -5.472 6.566 5.868 135 H ASN 19 H ASN 19 -4.767 3.056 11.479 136 HA ASN 19 HA ASN 19 -6.118 4.340 13.720 137 HB2 ASN 19 2HB ASN 19 -5.710 1.730 13.205 138 HB3 ASN 19 1HB ASN 19 -4.276 2.059 14.173 139 HD21 ASN 19 1HD2 ASN 19 -4.640 3.089 16.278 140 HD22 ASN 19 2HD2 ASN 19 -6.062 2.669 17.164 141 H GLU 20 H GLU 20 -5.022 6.258 14.006 142 HA GLU 20 HA GLU 20 -2.133 6.153 14.432 143 HB2 GLU 20 2HB GLU 20 -4.003 8.528 14.336 144 HB3 GLU 20 1HB GLU 20 -2.250 8.609 14.450 145 HG2 GLU 20 2HG GLU 20 -2.279 7.252 12.254 146 HG3 GLU 20 1HG GLU 20 -3.955 7.790 12.138 147 H ASP 21 H ASP 21 -4.129 5.026 16.324 148 HA ASP 21 HA ASP 21 -3.671 6.744 18.659 149 HB2 ASP 21 2HB ASP 21 -5.644 4.530 18.117 150 HB3 ASP 21 1HB ASP 21 -5.352 5.143 19.741 151 H VAL 22 H VAL 22 -2.401 4.057 17.115 152 HA VAL 22 HA VAL 22 -1.452 2.850 19.626 153 HB VAL 22 HB VAL 22 -0.772 0.929 18.309 154 HG11 VAL 22 1HG1 VAL 22 -2.926 0.095 17.691 155 HG12 VAL 22 2HG1 VAL 22 -3.556 1.730 17.479 156 HG13 VAL 22 3HG1 VAL 22 -3.133 1.150 19.090 157 HG21 VAL 22 3HG2 VAL 22 -0.036 1.786 16.264 158 HG22 VAL 22 1HG2 VAL 22 -1.541 2.662 15.980 159 HG23 VAL 22 2HG2 VAL 22 -1.504 0.903 15.849 160 H SER 23 H SER 23 0.899 1.761 19.046 161 HA SER 23 HA SER 23 2.672 3.966 19.016 162 HB2 SER 23 2HB SER 23 2.887 1.076 19.359 163 HB3 SER 23 1HB SER 23 4.252 1.746 18.464 164 HG SER 23 HG SER 23 3.319 2.864 20.890 165 HA PRO 24 HA PRO 24 3.751 2.937 14.552 166 HB2 PRO 24 2HB PRO 24 3.430 0.547 13.482 167 HB3 PRO 24 1HB PRO 24 4.672 0.790 14.717 168 HG2 PRO 24 2HG PRO 24 1.980 -0.478 14.959 169 HG3 PRO 24 1HG PRO 24 3.508 -0.939 15.728 170 HD2 PRO 24 2HD PRO 24 1.463 0.592 16.901 171 HD3 PRO 24 1HD PRO 24 3.124 0.424 17.500 172 H ALA 25 H ALA 25 2.265 4.232 13.577 173 HA ALA 25 HA ALA 25 -0.458 3.955 13.465 174 HB1 ALA 25 1HB ALA 25 0.088 5.132 11.041 175 HB2 ALA 25 2HB ALA 25 1.533 5.481 11.992 176 HB3 ALA 25 3HB ALA 25 -0.055 5.962 12.591 177 H GLU 26 H GLU 26 -1.665 2.346 12.772 178 HA GLU 26 HA GLU 26 -0.775 0.783 10.438 179 HB2 GLU 26 2HB GLU 26 -2.847 -0.125 12.417 180 HB3 GLU 26 1HB GLU 26 -1.877 -1.095 11.318 181 HG2 GLU 26 2HG GLU 26 0.133 -0.427 12.664 182 HG3 GLU 26 1HG GLU 26 -0.981 0.282 13.834 183 H LEU 27 H LEU 27 -2.561 -0.111 9.099 184 HA LEU 27 HA LEU 27 -4.789 1.797 8.862 185 HB2 LEU 27 2HB LEU 27 -3.277 2.013 6.983 186 HB3 LEU 27 1HB LEU 27 -3.301 0.282 6.715 187 HG LEU 27 HG LEU 27 -5.975 1.404 6.602 188 HD11 LEU 27 1HD1 LEU 27 -5.179 3.411 5.768 189 HD12 LEU 27 2HD1 LEU 27 -5.460 2.467 4.304 190 HD13 LEU 27 3HD1 LEU 27 -3.823 2.646 4.938 191 HD21 LEU 27 3HD2 LEU 27 -4.461 -0.680 5.446 192 HD22 LEU 27 1HD2 LEU 27 -5.021 0.347 4.125 193 HD23 LEU 27 2HD2 LEU 27 -6.182 -0.345 5.255 194 H THR 28 H THR 28 -6.571 0.824 9.636 195 HA THR 28 HA THR 28 -6.856 -2.071 9.303 196 HB THR 28 HB THR 28 -8.537 -0.232 11.003 197 HG1 THR 28 1HG THR 28 -6.454 -0.107 11.767 198 HG21 THR 28 3HG2 THR 28 -8.273 -2.788 12.132 199 HG22 THR 28 1HG2 THR 28 -8.698 -3.021 10.437 200 HG23 THR 28 2HG2 THR 28 -9.724 -2.030 11.474 201 H TRP 29 H TRP 29 -7.992 -2.784 7.647 202 HA TRP 29 HA TRP 29 -9.997 -1.121 6.385 203 HB2 TRP 29 2HB TRP 29 -8.475 -2.276 4.905 204 HB3 TRP 29 1HB TRP 29 -8.840 -3.821 5.668 205 HD1 TRP 29 HD TRP 29 -10.624 -1.112 3.594 206 HE1 TRP 29 1HE TRP 29 -12.449 -2.252 2.161 207 HE3 TRP 29 3HE TRP 29 -10.166 -5.864 5.378 208 HZ2 TRP 29 2HZ TRP 29 -13.545 -4.847 1.854 209 HZ3 TRP 29 3HZ TRP 29 -11.640 -7.617 4.481 210 HH2 TRP 29 HH TRP 29 -13.291 -7.117 2.758 211 H ARG 30 H ARG 30 -11.961 -1.152 7.270 212 HA ARG 30 HA ARG 30 -12.991 -3.698 8.336 213 HB2 ARG 30 2HB ARG 30 -13.675 -0.829 8.969 214 HB3 ARG 30 1HB ARG 30 -14.709 -2.165 9.453 215 HG2 ARG 30 2HG ARG 30 -12.998 -3.086 10.836 216 HG3 ARG 30 1HG ARG 30 -11.809 -1.938 10.217 217 HD2 ARG 30 2HD ARG 30 -12.647 -1.320 12.449 218 HD3 ARG 30 1HD ARG 30 -13.003 -0.098 11.230 219 HE ARG 30 HE ARG 30 -15.212 -1.759 11.354 220 HH11 ARG 30 1HH1 ARG 30 -13.498 0.393 13.501 221 HH12 ARG 30 2HH1 ARG 30 -14.905 0.793 14.427 222 HH21 ARG 30 1HH2 ARG 30 -17.065 -1.233 12.570 223 HH22 ARG 30 2HH2 ARG 30 -16.931 -0.130 13.899 224 H SER 31 H SER 31 -14.274 -4.733 6.952 225 HA SER 31 HA SER 31 -15.274 -3.831 4.577 226 HB2 SER 31 2HB SER 31 -17.112 -5.630 4.948 227 HB3 SER 31 1HB SER 31 -15.427 -6.141 4.890 228 HG SER 31 HG SER 31 -16.705 -5.503 7.326 229 H THR 32 H THR 32 -17.574 -3.484 3.924 230 HA THR 32 HA THR 32 -18.661 -1.293 5.380 231 HB THR 32 HB THR 32 -20.502 -2.326 3.453 232 HG1 THR 32 1HG THR 32 -17.873 -2.010 2.455 233 HG21 THR 32 3HG2 THR 32 -20.213 0.052 4.018 234 HG22 THR 32 1HG2 THR 32 -20.118 -0.266 2.286 235 HG23 THR 32 2HG2 THR 32 -18.645 0.023 3.212 236 H ASP 33 H ASP 33 -19.523 -4.619 4.819 237 HA ASP 33 HA ASP 33 -21.933 -4.472 6.349 238 HB2 ASP 33 2HB ASP 33 -20.511 -6.572 4.816 239 HB3 ASP 33 1HB ASP 33 -21.579 -7.116 6.107 240 H GLY 34 H GLY 34 -18.691 -5.704 6.832 241 HA2 GLY 34 2HA GLY 34 -17.684 -5.546 9.027 242 HA3 GLY 34 1HA GLY 34 -19.269 -5.854 9.720 243 H ASP 35 H ASP 35 -18.150 -7.681 6.983 244 HA ASP 35 HA ASP 35 -17.994 -10.052 8.705 245 HB2 ASP 35 2HB ASP 35 -18.814 -9.615 5.867 246 HB3 ASP 35 1HB ASP 35 -18.141 -11.179 6.318 247 H LYS 36 H LYS 36 -16.112 -7.981 6.733 248 HA LYS 36 HA LYS 36 -13.857 -9.860 6.962 249 HB2 LYS 36 2HB LYS 36 -14.457 -8.048 4.618 250 HB3 LYS 36 1HB LYS 36 -12.998 -9.011 4.804 251 HG2 LYS 36 2HG LYS 36 -14.041 -10.954 4.281 252 HG3 LYS 36 1HG LYS 36 -15.583 -10.440 4.969 253 HD2 LYS 36 2HD LYS 36 -16.210 -10.225 2.819 254 HD3 LYS 36 1HD LYS 36 -15.324 -8.701 2.898 255 HE2 LYS 36 2HE LYS 36 -13.490 -9.558 1.779 256 HE3 LYS 36 1HE LYS 36 -13.882 -11.224 2.203 257 HZ1 LYS 36 3HZ LYS 36 -14.343 -10.168 -0.191 258 HZ2 LYS 36 1HZ LYS 36 -15.832 -9.849 0.548 259 HZ3 LYS 36 2HZ LYS 36 -15.257 -11.437 0.453 260 H VAL 37 H VAL 37 -11.876 -9.006 7.481 261 HA VAL 37 HA VAL 37 -11.653 -6.115 7.808 262 HB VAL 37 HB VAL 37 -12.365 -7.644 9.969 263 HG11 VAL 37 1HG1 VAL 37 -10.522 -7.938 11.434 264 HG12 VAL 37 2HG1 VAL 37 -9.422 -7.122 10.323 265 HG13 VAL 37 3HG1 VAL 37 -10.084 -8.703 9.905 266 HG21 VAL 37 3HG2 VAL 37 -11.705 -5.679 11.309 267 HG22 VAL 37 1HG2 VAL 37 -12.571 -5.254 9.833 268 HG23 VAL 37 2HG2 VAL 37 -10.820 -5.061 9.915 269 H HIS 38 H HIS 38 -9.457 -5.384 8.160 270 HA HIS 38 HA HIS 38 -7.288 -7.262 7.839 271 HB2 HIS 38 2HB HIS 38 -8.353 -6.592 5.501 272 HB3 HIS 38 1HB HIS 38 -7.366 -5.151 5.730 273 HD1 HIS 38 1HD HIS 38 -7.197 -8.642 4.655 274 HD2 HIS 38 2HD HIS 38 -4.529 -5.736 5.956 275 HE1 HIS 38 1HE HIS 38 -4.919 -9.477 3.994 276 HE2 HIS 38 2HE HIS 38 -3.315 -7.758 4.898 277 H THR 39 H THR 39 -5.270 -6.375 8.367 278 HA THR 39 HA THR 39 -5.303 -3.556 9.214 279 HB THR 39 HB THR 39 -4.053 -5.832 10.762 280 HG1 THR 39 1HG THR 39 -6.368 -5.767 10.847 281 HG21 THR 39 3HG2 THR 39 -2.828 -3.854 11.221 282 HG22 THR 39 1HG2 THR 39 -3.918 -4.128 12.579 283 HG23 THR 39 2HG2 THR 39 -4.304 -2.901 11.372 284 H VAL 40 H VAL 40 -3.573 -2.375 8.663 285 HA VAL 40 HA VAL 40 -1.196 -3.782 7.631 286 HB VAL 40 HB VAL 40 -2.748 -1.553 6.400 287 HG11 VAL 40 1HG1 VAL 40 0.228 -1.925 6.127 288 HG12 VAL 40 2HG1 VAL 40 -0.639 -0.469 6.616 289 HG13 VAL 40 3HG1 VAL 40 -0.751 -1.044 4.953 290 HG21 VAL 40 3HG2 VAL 40 -3.136 -3.631 5.409 291 HG22 VAL 40 1HG2 VAL 40 -1.431 -4.081 5.502 292 HG23 VAL 40 2HG2 VAL 40 -1.962 -2.858 4.343 293 H VAL 41 H VAL 41 0.713 -3.071 8.345 294 HA VAL 41 HA VAL 41 0.613 -0.787 10.176 295 HB VAL 41 HB VAL 41 2.639 -3.019 9.991 296 HG11 VAL 41 1HG1 VAL 41 2.598 -0.673 11.896 297 HG12 VAL 41 2HG1 VAL 41 3.745 -0.895 10.573 298 HG13 VAL 41 3HG1 VAL 41 3.732 -2.024 11.927 299 HG21 VAL 41 3HG2 VAL 41 0.308 -2.385 11.705 300 HG22 VAL 41 1HG2 VAL 41 1.717 -3.106 12.488 301 HG23 VAL 41 2HG2 VAL 41 0.921 -3.948 11.158 302 H LEU 42 H LEU 42 0.977 1.025 9.107 303 HA LEU 42 HA LEU 42 2.406 1.385 6.774 304 HB2 LEU 42 2HB LEU 42 1.790 3.256 9.043 305 HB3 LEU 42 1HB LEU 42 2.664 3.793 7.624 306 HG LEU 42 HG LEU 42 0.376 4.395 7.331 307 HD11 LEU 42 1HD1 LEU 42 0.211 3.719 5.197 308 HD12 LEU 42 2HD1 LEU 42 0.308 2.009 5.619 309 HD13 LEU 42 3HD1 LEU 42 1.780 2.975 5.509 310 HD21 LEU 42 3HD2 LEU 42 -0.516 2.735 8.979 311 HD22 LEU 42 1HD2 LEU 42 -0.384 1.504 7.723 312 HD23 LEU 42 2HD2 LEU 42 -1.466 2.879 7.499 313 H SER 43 H SER 43 3.587 0.988 10.007 314 HA SER 43 HA SER 43 6.129 2.161 9.705 315 HB2 SER 43 2HB SER 43 5.085 1.509 11.890 316 HB3 SER 43 1HB SER 43 5.417 -0.175 11.486 317 HG SER 43 HG SER 43 7.066 1.661 12.534 318 H THR 44 H THR 44 4.828 -0.912 8.777 319 HA THR 44 HA THR 44 7.455 -1.954 8.052 320 HB THR 44 HB THR 44 6.485 -4.058 7.879 321 HG1 THR 44 1HG THR 44 4.893 -3.845 6.442 322 HG21 THR 44 3HG2 THR 44 4.674 -2.618 9.797 323 HG22 THR 44 1HG2 THR 44 6.210 -3.394 10.180 324 HG23 THR 44 2HG2 THR 44 4.834 -4.370 9.669 325 H ILE 45 H ILE 45 4.517 -0.761 6.660 326 HA ILE 45 HA ILE 45 4.614 -1.533 4.059 327 HB ILE 45 HB ILE 45 3.913 1.206 5.112 328 HG12 ILE 45 2HG1 ILE 45 2.489 -0.470 6.052 329 HG13 ILE 45 1HG1 ILE 45 1.573 0.325 4.775 330 HG21 ILE 45 1HG2 ILE 45 2.713 1.580 3.033 331 HG22 ILE 45 2HG2 ILE 45 3.263 0.021 2.416 332 HG23 ILE 45 3HG2 ILE 45 4.426 1.313 2.714 333 HD11 ILE 45 3HD1 ILE 45 1.083 -1.849 4.325 334 HD12 ILE 45 1HD1 ILE 45 2.637 -2.439 4.913 335 HD13 ILE 45 2HD1 ILE 45 2.528 -1.663 3.333 336 H ASP 46 H ASP 46 6.327 -1.662 2.784 337 HA ASP 46 HA ASP 46 8.624 -0.044 2.983 338 HB2 ASP 46 2HB ASP 46 8.103 -2.406 1.796 339 HB3 ASP 46 1HB ASP 46 8.061 -1.353 0.385 340 H LYS 47 H LYS 47 5.702 0.215 1.033 341 HA LYS 47 HA LYS 47 6.200 2.963 0.505 342 HB2 LYS 47 2HB LYS 47 6.084 2.447 -2.100 343 HB3 LYS 47 1HB LYS 47 7.612 2.561 -1.239 344 HG2 LYS 47 2HG LYS 47 7.521 0.062 -0.971 345 HG3 LYS 47 1HG LYS 47 6.150 0.076 -2.081 346 HD2 LYS 47 2HD LYS 47 7.534 1.106 -3.801 347 HD3 LYS 47 1HD LYS 47 8.902 1.153 -2.688 348 HE2 LYS 47 2HE LYS 47 9.202 -1.143 -2.755 349 HE3 LYS 47 1HE LYS 47 7.547 -1.444 -3.284 350 HZ1 LYS 47 3HZ LYS 47 8.057 -0.720 -5.454 351 HZ2 LYS 47 1HZ LYS 47 9.321 -1.754 -5.009 352 HZ3 LYS 47 2HZ LYS 47 9.552 -0.079 -4.987 353 H LEU 48 H LEU 48 4.539 3.915 -0.939 354 HA LEU 48 HA LEU 48 1.996 2.454 -0.659 355 HB2 LEU 48 2HB LEU 48 2.794 5.111 0.021 356 HB3 LEU 48 1HB LEU 48 1.582 5.214 -1.240 357 HG LEU 48 HG LEU 48 0.289 3.521 0.327 358 HD11 LEU 48 1HD1 LEU 48 0.706 3.810 2.640 359 HD12 LEU 48 2HD1 LEU 48 1.886 5.085 2.339 360 HD13 LEU 48 3HD1 LEU 48 2.255 3.418 1.895 361 HD21 LEU 48 3HD2 LEU 48 -1.046 5.283 0.919 362 HD22 LEU 48 1HD2 LEU 48 -0.114 6.025 -0.380 363 HD23 LEU 48 2HD2 LEU 48 0.319 6.334 1.301 364 H GLN 49 H GLN 49 0.363 2.929 -2.379 365 HA GLN 49 HA GLN 49 1.503 3.730 -4.945 366 HB2 GLN 49 2HB GLN 49 -0.051 1.163 -4.777 367 HB3 GLN 49 1HB GLN 49 0.944 1.757 -6.098 368 HG2 GLN 49 2HG GLN 49 2.856 1.566 -4.303 369 HG3 GLN 49 1HG GLN 49 1.743 0.409 -3.574 370 HE21 GLN 49 1HE2 GLN 49 3.630 1.167 -6.420 371 HE22 GLN 49 2HE2 GLN 49 3.673 -0.448 -7.058 372 H ALA 50 H ALA 50 0.087 4.755 -6.247 373 HA ALA 50 HA ALA 50 -2.769 4.462 -5.867 374 HB1 ALA 50 1HB ALA 50 -3.182 6.826 -5.466 375 HB2 ALA 50 2HB ALA 50 -1.445 7.137 -5.437 376 HB3 ALA 50 3HB ALA 50 -2.184 6.139 -4.184 377 H THR 51 H THR 51 -3.828 4.682 -7.729 378 HA THR 51 HA THR 51 -2.500 4.933 -10.177 379 HB THR 51 HB THR 51 -4.955 5.454 -10.983 380 HG1 THR 51 1HG THR 51 -5.589 5.904 -8.744 381 HG21 THR 51 3HG2 THR 51 -3.557 3.090 -10.514 382 HG22 THR 51 1HG2 THR 51 -4.993 3.312 -11.514 383 HG23 THR 51 2HG2 THR 51 -5.160 2.840 -9.822 384 HA PRO 52 HA PRO 52 -1.644 9.379 -9.945 385 HB2 PRO 52 2HB PRO 52 -0.745 9.315 -12.597 386 HB3 PRO 52 1HB PRO 52 0.259 9.130 -11.154 387 HG2 PRO 52 2HG PRO 52 -0.982 7.023 -12.880 388 HG3 PRO 52 1HG PRO 52 0.646 7.073 -12.175 389 HD2 PRO 52 2HD PRO 52 -1.185 5.553 -11.083 390 HD3 PRO 52 1HD PRO 52 -0.168 6.564 -10.030 391 H ALA 53 H ALA 53 -2.349 11.228 -11.224 392 HA ALA 53 HA ALA 53 -5.040 11.213 -11.863 393 HB1 ALA 53 1HB ALA 53 -4.785 13.421 -12.554 394 HB2 ALA 53 2HB ALA 53 -3.147 13.148 -13.148 395 HB3 ALA 53 3HB ALA 53 -3.460 13.190 -11.414 396 H SER 54 H SER 54 -2.376 10.144 -13.775 397 HA SER 54 HA SER 54 -3.651 10.468 -16.321 398 HB2 SER 54 2HB SER 54 -1.776 9.182 -17.205 399 HB3 SER 54 1HB SER 54 -1.186 10.398 -16.071 400 HG SER 54 HG SER 54 -0.600 7.916 -15.987 401 H SER 55 H SER 55 -3.783 8.139 -13.805 402 HA SER 55 HA SER 55 -4.860 6.065 -15.549 403 HB2 SER 55 2HB SER 55 -4.064 6.149 -12.647 404 HB3 SER 55 1HB SER 55 -5.029 4.819 -13.287 405 HG SER 55 HG SER 55 -2.425 5.618 -14.059 406 H GLU 56 H GLU 56 -6.943 6.106 -16.042 407 HA GLU 56 HA GLU 56 -8.844 7.695 -14.670 408 HB2 GLU 56 2HB GLU 56 -9.038 7.170 -17.060 409 HB3 GLU 56 1HB GLU 56 -9.281 5.473 -16.670 410 HG2 GLU 56 2HG GLU 56 -11.434 5.771 -16.106 411 HG3 GLU 56 1HG GLU 56 -11.133 7.340 -15.360 412 H LYS 57 H LYS 57 -7.721 4.480 -14.225 413 HA LYS 57 HA LYS 57 -10.047 3.661 -12.689 414 HB2 LYS 57 2HB LYS 57 -7.482 2.110 -12.863 415 HB3 LYS 57 1HB LYS 57 -9.120 1.511 -12.638 416 HG2 LYS 57 2HG LYS 57 -7.909 2.604 -15.166 417 HG3 LYS 57 1HG LYS 57 -8.401 0.941 -14.840 418 HD2 LYS 57 2HD LYS 57 -10.239 3.331 -14.978 419 HD3 LYS 57 1HD LYS 57 -10.043 2.106 -16.234 420 HE2 LYS 57 2HE LYS 57 -10.873 0.394 -14.722 421 HE3 LYS 57 1HE LYS 57 -11.007 1.580 -13.424 422 HZ1 LYS 57 3HZ LYS 57 -12.411 2.205 -15.895 423 HZ2 LYS 57 1HZ LYS 57 -12.885 2.445 -14.288 424 HZ3 LYS 57 2HZ LYS 57 -13.033 0.914 -14.993 425 H MET 58 H MET 58 -10.258 4.291 -10.655 426 HA MET 58 HA MET 58 -8.031 5.259 -9.122 427 HB2 MET 58 2HB MET 58 -10.960 4.878 -8.521 428 HB3 MET 58 1HB MET 58 -9.818 5.422 -7.299 429 HG2 MET 58 2HG MET 58 -10.886 7.337 -8.204 430 HG3 MET 58 1HG MET 58 -9.225 7.318 -8.793 431 HE1 MET 58 3HE MET 58 -9.648 7.909 -12.386 432 HE2 MET 58 1HE MET 58 -8.530 7.125 -11.269 433 HE3 MET 58 2HE MET 58 -9.229 8.692 -10.862 434 H MET 59 H MET 59 -6.608 3.808 -8.378 435 HA MET 59 HA MET 59 -7.566 1.742 -6.573 436 HB2 MET 59 2HB MET 59 -5.627 0.937 -8.726 437 HB3 MET 59 1HB MET 59 -6.557 -0.093 -7.648 438 HG2 MET 59 2HG MET 59 -8.593 0.442 -8.816 439 HG3 MET 59 1HG MET 59 -7.741 1.606 -9.830 440 HE1 MET 59 3HE MET 59 -5.455 -0.400 -11.991 441 HE2 MET 59 1HE MET 59 -4.913 -0.826 -10.368 442 HE3 MET 59 2HE MET 59 -5.419 0.826 -10.723 443 H LEU 60 H LEU 60 -6.151 1.285 -4.948 444 HA LEU 60 HA LEU 60 -3.489 2.540 -5.100 445 HB2 LEU 60 2HB LEU 60 -5.599 2.749 -3.024 446 HB3 LEU 60 1HB LEU 60 -3.943 2.634 -2.462 447 HG LEU 60 HG LEU 60 -3.446 4.596 -4.030 448 HD11 LEU 60 1HD1 LEU 60 -6.234 5.471 -3.783 449 HD12 LEU 60 2HD1 LEU 60 -5.967 4.162 -4.936 450 HD13 LEU 60 3HD1 LEU 60 -5.087 5.681 -5.106 451 HD21 LEU 60 3HD2 LEU 60 -3.615 5.967 -2.250 452 HD22 LEU 60 1HD2 LEU 60 -4.056 4.481 -1.408 453 HD23 LEU 60 2HD2 LEU 60 -5.314 5.579 -1.976 454 H ARG 61 H ARG 61 -1.807 1.510 -3.936 455 HA ARG 61 HA ARG 61 -2.406 -1.202 -2.978 456 HB2 ARG 61 2HB ARG 61 0.153 -0.737 -4.443 457 HB3 ARG 61 1HB ARG 61 -0.770 -2.217 -4.249 458 HG2 ARG 61 2HG ARG 61 -2.340 -1.564 -5.901 459 HG3 ARG 61 1HG ARG 61 -1.699 0.080 -5.950 460 HD2 ARG 61 2HD ARG 61 0.093 -0.509 -7.221 461 HD3 ARG 61 1HD ARG 61 0.193 -2.125 -6.523 462 HE ARG 61 HE ARG 61 -2.141 -1.815 -8.122 463 HH11 ARG 61 1HH1 ARG 61 1.301 -2.361 -8.297 464 HH12 ARG 61 2HH1 ARG 61 1.220 -3.182 -9.819 465 HH21 ARG 61 1HH2 ARG 61 -2.250 -2.895 -10.124 466 HH22 ARG 61 2HH2 ARG 61 -0.795 -3.485 -10.857 467 H LEU 62 H LEU 62 -0.895 -2.060 -1.457 468 HA LEU 62 HA LEU 62 0.810 -0.027 -0.180 469 HB2 LEU 62 2HB LEU 62 -1.528 -0.976 0.867 470 HB3 LEU 62 1HB LEU 62 -0.365 -2.071 1.579 471 HG LEU 62 HG LEU 62 0.352 -0.535 3.050 472 HD11 LEU 62 1HD1 LEU 62 0.176 1.561 0.900 473 HD12 LEU 62 2HD1 LEU 62 1.629 0.721 1.442 474 HD13 LEU 62 3HD1 LEU 62 0.789 1.824 2.532 475 HD21 LEU 62 3HD2 LEU 62 -1.268 1.185 3.624 476 HD22 LEU 62 1HD2 LEU 62 -2.070 -0.337 3.231 477 HD23 LEU 62 2HD2 LEU 62 -2.048 0.978 2.056 478 H ILE 63 H ILE 63 2.858 -0.648 -0.338 479 HA ILE 63 HA ILE 63 3.542 -3.460 -0.590 480 HB ILE 63 HB ILE 63 5.311 -1.009 -0.637 481 HG12 ILE 63 2HG1 ILE 63 3.790 -1.059 -2.532 482 HG13 ILE 63 1HG1 ILE 63 5.417 -1.460 -3.075 483 HG21 ILE 63 1HG2 ILE 63 5.897 -3.921 -1.087 484 HG22 ILE 63 2HG2 ILE 63 6.690 -2.799 0.018 485 HG23 ILE 63 3HG2 ILE 63 6.932 -2.642 -1.722 486 HD11 ILE 63 3HD1 ILE 63 4.241 -3.900 -2.434 487 HD12 ILE 63 1HD1 ILE 63 4.560 -3.250 -4.042 488 HD13 ILE 63 2HD1 ILE 63 2.993 -2.980 -3.278 489 H GLY 64 H GLY 64 4.264 -4.704 1.021 490 HA2 GLY 64 2HA GLY 64 4.679 -3.454 3.641 491 HA3 GLY 64 1HA GLY 64 4.382 -5.160 3.347 492 H LYS 65 H LYS 65 6.394 -4.318 5.059 493 HA LYS 65 HA LYS 65 8.923 -4.085 3.832 494 HB2 LYS 65 2HB LYS 65 7.997 -3.914 6.398 495 HB3 LYS 65 1HB LYS 65 8.861 -5.445 6.442 496 HG2 LYS 65 2HG LYS 65 10.322 -3.657 7.124 497 HG3 LYS 65 1HG LYS 65 10.867 -4.315 5.580 498 HD2 LYS 65 2HD LYS 65 10.948 -2.154 4.959 499 HD3 LYS 65 1HD LYS 65 9.207 -2.345 4.740 500 HE2 LYS 65 2HE LYS 65 9.081 -0.568 6.113 501 HE3 LYS 65 1HE LYS 65 9.328 -1.767 7.382 502 HZ1 LYS 65 3HZ LYS 65 10.806 0.283 7.395 503 HZ2 LYS 65 1HZ LYS 65 11.606 -0.411 6.075 504 HZ3 LYS 65 2HZ LYS 65 11.571 -1.217 7.563 505 H VAL 66 H VAL 66 10.485 -5.594 3.313 506 HA VAL 66 HA VAL 66 9.569 -8.348 3.097 507 HB VAL 66 HB VAL 66 10.045 -7.184 1.003 508 HG11 VAL 66 1HG1 VAL 66 12.349 -6.282 2.421 509 HG12 VAL 66 2HG1 VAL 66 11.727 -5.764 0.854 510 HG13 VAL 66 3HG1 VAL 66 12.853 -7.118 0.952 511 HG21 VAL 66 3HG2 VAL 66 11.109 -9.693 1.839 512 HG22 VAL 66 1HG2 VAL 66 12.209 -8.966 0.667 513 HG23 VAL 66 2HG2 VAL 66 10.514 -9.213 0.249 514 H ASP 67 H ASP 67 12.678 -8.347 2.508 515 HA ASP 67 HA ASP 67 13.639 -8.579 5.236 516 HB2 ASP 67 2HB ASP 67 13.375 -10.857 3.315 517 HB3 ASP 67 1HB ASP 67 14.737 -10.836 4.430 518 H GLU 68 H GLU 68 15.190 -7.058 5.067 519 HA GLU 68 HA GLU 68 16.731 -6.500 2.806 520 HB2 GLU 68 2HB GLU 68 17.236 -5.991 5.734 521 HB3 GLU 68 1HB GLU 68 18.301 -5.398 4.467 522 HG2 GLU 68 2HG GLU 68 15.368 -4.774 4.507 523 HG3 GLU 68 1HG GLU 68 16.554 -3.795 5.370 524 H SER 69 H SER 69 16.990 -9.040 5.095 525 HA SER 69 HA SER 69 19.746 -9.636 4.311 526 HB2 SER 69 2HB SER 69 18.279 -11.372 6.234 527 HB3 SER 69 1HB SER 69 19.961 -10.844 6.251 528 HG SER 69 HG SER 69 18.871 -9.784 7.886 529 H LYS 70 H LYS 70 17.651 -9.929 2.382 530 HA LYS 70 HA LYS 70 18.098 -12.712 1.689 531 HB2 LYS 70 2HB LYS 70 15.352 -11.549 2.132 532 HB3 LYS 70 1HB LYS 70 15.621 -12.962 1.121 533 HG2 LYS 70 2HG LYS 70 16.455 -12.784 4.006 534 HG3 LYS 70 1HG LYS 70 14.922 -13.465 3.458 535 HD2 LYS 70 2HD LYS 70 15.889 -15.354 2.683 536 HD3 LYS 70 1HD LYS 70 17.333 -14.509 2.122 537 HE2 LYS 70 2HE LYS 70 18.334 -14.574 4.226 538 HE3 LYS 70 1HE LYS 70 16.805 -14.874 5.049 539 HZ1 LYS 70 3HZ LYS 70 18.601 -16.745 3.727 540 HZ2 LYS 70 1HZ LYS 70 16.945 -17.037 3.532 541 HZ3 LYS 70 2HZ LYS 70 17.614 -16.965 5.084 542 H LYS 71 H LYS 71 19.044 -10.240 0.623 543 HA LYS 71 HA LYS 71 17.564 -9.515 -1.700 544 HB2 LYS 71 2HB LYS 71 20.397 -9.001 -0.814 545 HB3 LYS 71 1HB LYS 71 19.784 -8.430 -2.359 546 HG2 LYS 71 2HG LYS 71 18.149 -7.769 0.002 547 HG3 LYS 71 1HG LYS 71 19.724 -6.981 -0.105 548 HD2 LYS 71 2HD LYS 71 18.827 -6.669 -2.642 549 HD3 LYS 71 1HD LYS 71 17.306 -6.621 -1.746 550 HE2 LYS 71 2HE LYS 71 18.220 -4.861 -0.306 551 HE3 LYS 71 1HE LYS 71 19.730 -4.904 -1.215 552 HZ1 LYS 71 3HZ LYS 71 17.144 -3.783 -1.963 553 HZ2 LYS 71 1HZ LYS 71 18.051 -4.501 -3.198 554 HZ3 LYS 71 2HZ LYS 71 18.704 -3.224 -2.301 555 H ARG 72 H ARG 72 17.872 -10.081 -3.835 556 HA ARG 72 HA ARG 72 19.964 -11.675 -4.819 557 HB2 ARG 72 2HB ARG 72 18.603 -13.778 -5.210 558 HB3 ARG 72 1HB ARG 72 19.142 -13.505 -3.559 559 HG2 ARG 72 2HG ARG 72 16.978 -14.120 -3.192 560 HG3 ARG 72 1HG ARG 72 16.789 -12.369 -3.315 561 HD2 ARG 72 2HD ARG 72 15.797 -12.485 -5.382 562 HD3 ARG 72 1HD ARG 72 16.584 -14.010 -5.791 563 HE ARG 72 HE ARG 72 14.869 -14.570 -3.704 564 HH11 ARG 72 1HH1 ARG 72 14.592 -13.334 -6.955 565 HH12 ARG 72 2HH1 ARG 72 13.001 -13.972 -7.196 566 HH21 ARG 72 1HH2 ARG 72 12.777 -15.411 -4.019 567 HH22 ARG 72 2HH2 ARG 72 11.969 -15.151 -5.530 568 H LYS 73 H LYS 73 19.403 -12.609 -7.024 569 HA LYS 73 HA LYS 73 18.122 -10.575 -8.554 570 HB2 LYS 73 2HB LYS 73 19.300 -13.258 -9.261 571 HB3 LYS 73 1HB LYS 73 18.534 -12.228 -10.463 572 HG2 LYS 73 2HG LYS 73 20.829 -11.787 -10.625 573 HG3 LYS 73 1HG LYS 73 20.154 -10.419 -9.739 574 HD2 LYS 73 2HD LYS 73 21.098 -11.080 -7.738 575 HD3 LYS 73 1HD LYS 73 21.214 -12.771 -8.233 576 HE2 LYS 73 2HE LYS 73 23.093 -12.359 -9.580 577 HE3 LYS 73 1HE LYS 73 22.827 -10.616 -9.562 578 HZ1 LYS 73 3HZ LYS 73 24.514 -10.824 -8.056 579 HZ2 LYS 73 1HZ LYS 73 24.002 -12.336 -7.497 580 HZ3 LYS 73 2HZ LYS 73 23.186 -10.937 -7.014 581 H ASP 74 H ASP 74 16.587 -11.405 -10.414 582 HA ASP 74 HA ASP 74 14.366 -12.792 -9.074 583 HB2 ASP 74 2HB ASP 74 14.331 -10.317 -10.170 584 HB3 ASP 74 1HB ASP 74 13.832 -11.277 -11.558 585 H ASN 75 H ASN 75 16.615 -14.078 -10.477 586 HA ASN 75 HA ASN 75 16.851 -15.983 -11.716 587 HB2 ASN 75 2HB ASN 75 14.306 -16.218 -11.060 588 HB3 ASN 75 1HB ASN 75 14.058 -15.849 -12.763 589 HD21 ASN 75 1HD2 ASN 75 14.361 -18.288 -10.626 590 HD22 ASN 75 2HD2 ASN 75 14.924 -19.540 -11.674 591 H GLU 76 H GLU 76 16.246 -12.970 -12.852 592 HA GLU 76 HA GLU 76 16.499 -13.731 -15.670 593 HB2 GLU 76 2HB GLU 76 16.124 -10.892 -14.907 594 HB3 GLU 76 1HB GLU 76 15.442 -11.789 -16.257 595 HG2 GLU 76 2HG GLU 76 13.857 -12.862 -14.744 596 HG3 GLU 76 1HG GLU 76 14.549 -11.972 -13.389 597 H GLY 77 H GLY 77 18.052 -12.102 -13.044 598 HA2 GLY 77 2HA GLY 77 20.529 -12.162 -13.136 599 HA3 GLY 77 1HA GLY 77 20.382 -11.580 -14.788 600 H ASN 78 H ASN 78 18.365 -10.384 -12.194 601 HA ASN 78 HA ASN 78 19.945 -7.907 -12.111 602 HB2 ASN 78 2HB ASN 78 16.959 -8.147 -12.511 603 HB3 ASN 78 1HB ASN 78 17.757 -6.647 -12.045 604 HD21 ASN 78 1HD2 ASN 78 16.748 -8.563 -14.591 605 HD22 ASN 78 2HD2 ASN 78 17.597 -7.759 -15.874 606 H GLU 79 H GLU 79 20.613 -7.667 -10.088 607 HA GLU 79 HA GLU 79 19.575 -8.983 -7.856 608 HB2 GLU 79 2HB GLU 79 20.892 -7.286 -6.537 609 HB3 GLU 79 1HB GLU 79 21.807 -8.159 -7.758 610 HG2 GLU 79 2HG GLU 79 22.251 -6.309 -8.929 611 HG3 GLU 79 1HG GLU 79 20.629 -5.655 -8.705 612 H VAL 80 H VAL 80 17.483 -8.763 -7.312 613 HA VAL 80 HA VAL 80 16.498 -6.031 -6.810 614 HB VAL 80 HB VAL 80 14.248 -6.745 -7.395 615 HG11 VAL 80 1HG1 VAL 80 15.069 -5.853 -9.302 616 HG12 VAL 80 2HG1 VAL 80 14.901 -7.510 -9.879 617 HG13 VAL 80 3HG1 VAL 80 16.471 -6.923 -9.330 618 HG21 VAL 80 3HG2 VAL 80 15.556 -9.415 -7.679 619 HG22 VAL 80 1HG2 VAL 80 14.139 -9.028 -8.654 620 HG23 VAL 80 2HG2 VAL 80 14.036 -8.986 -6.893 621 H VAL 81 H VAL 81 14.247 -6.441 -5.463 622 HA VAL 81 HA VAL 81 15.149 -7.843 -3.045 623 HB VAL 81 HB VAL 81 12.943 -5.793 -3.238 624 HG11 VAL 81 1HG1 VAL 81 12.901 -7.313 -1.290 625 HG12 VAL 81 2HG1 VAL 81 13.176 -5.630 -0.842 626 HG13 VAL 81 3HG1 VAL 81 14.523 -6.769 -0.862 627 HG21 VAL 81 3HG2 VAL 81 15.858 -5.465 -3.177 628 HG22 VAL 81 1HG2 VAL 81 14.985 -4.524 -1.967 629 HG23 VAL 81 2HG2 VAL 81 14.598 -4.337 -3.678 630 HA PRO 82 HA PRO 82 12.194 -11.104 -3.547 631 HB2 PRO 82 2HB PRO 82 11.780 -10.722 -0.616 632 HB3 PRO 82 1HB PRO 82 12.112 -12.203 -1.522 633 HG2 PRO 82 2HG PRO 82 14.031 -11.031 -0.101 634 HG3 PRO 82 1HG PRO 82 14.383 -11.754 -1.682 635 HD2 PRO 82 2HD PRO 82 14.111 -8.883 -0.928 636 HD3 PRO 82 1HD PRO 82 15.173 -9.640 -2.132 637 H LYS 83 H LYS 83 10.073 -11.188 -4.004 638 HA LYS 83 HA LYS 83 8.443 -9.005 -4.153 639 HB2 LYS 83 2HB LYS 83 7.494 -11.837 -3.694 640 HB3 LYS 83 1HB LYS 83 6.569 -10.534 -4.428 641 HG2 LYS 83 2HG LYS 83 9.027 -11.862 -5.547 642 HG3 LYS 83 1HG LYS 83 7.373 -11.993 -6.148 643 HD2 LYS 83 2HD LYS 83 7.476 -9.452 -6.447 644 HD3 LYS 83 1HD LYS 83 9.220 -9.626 -6.240 645 HE2 LYS 83 2HE LYS 83 9.497 -10.579 -8.266 646 HE3 LYS 83 1HE LYS 83 7.985 -11.479 -8.162 647 HZ1 LYS 83 3HZ LYS 83 6.968 -9.107 -8.451 648 HZ2 LYS 83 1HZ LYS 83 7.491 -9.988 -9.798 649 HZ3 LYS 83 2HZ LYS 83 8.466 -8.763 -9.155 650 HA PRO 84 HA PRO 84 7.651 -8.473 0.282 651 HB2 PRO 84 2HB PRO 84 6.813 -5.928 0.137 652 HB3 PRO 84 1HB PRO 84 8.526 -6.356 0.045 653 HG2 PRO 84 2HG PRO 84 6.609 -5.745 -2.167 654 HG3 PRO 84 1HG PRO 84 8.267 -5.161 -1.937 655 HD2 PRO 84 2HD PRO 84 7.653 -7.205 -3.610 656 HD3 PRO 84 1HD PRO 84 9.197 -7.112 -2.737 657 H GLN 85 H GLN 85 5.805 -8.751 1.441 658 HA GLN 85 HA GLN 85 3.398 -9.395 0.118 659 HB2 GLN 85 2HB GLN 85 3.686 -8.690 3.040 660 HB3 GLN 85 1HB GLN 85 2.455 -9.705 2.302 661 HG2 GLN 85 2HG GLN 85 3.763 -11.520 2.311 662 HG3 GLN 85 1HG GLN 85 5.200 -10.611 1.848 663 HE21 GLN 85 1HE2 GLN 85 3.103 -11.439 4.545 664 HE22 GLN 85 2HE2 GLN 85 4.303 -11.229 5.782 665 H ARG 86 H ARG 86 2.046 -8.017 -0.818 666 HA ARG 86 HA ARG 86 1.605 -5.401 0.464 667 HB2 ARG 86 2HB ARG 86 1.259 -4.449 -1.791 668 HB3 ARG 86 1HB ARG 86 2.889 -5.066 -1.562 669 HG2 ARG 86 2HG ARG 86 2.636 -6.705 -3.100 670 HG3 ARG 86 1HG ARG 86 0.923 -6.931 -2.738 671 HD2 ARG 86 2HD ARG 86 0.309 -5.039 -4.024 672 HD3 ARG 86 1HD ARG 86 1.980 -4.492 -4.148 673 HE ARG 86 HE ARG 86 2.267 -5.903 -5.923 674 HH11 ARG 86 1HH1 ARG 86 -0.609 -6.859 -4.192 675 HH12 ARG 86 2HH1 ARG 86 -1.087 -8.025 -5.379 676 HH21 ARG 86 1HH2 ARG 86 1.639 -7.436 -7.485 677 HH22 ARG 86 2HH2 ARG 86 0.189 -8.354 -7.249 678 H HIS 87 H HIS 87 -0.480 -4.367 -0.508 679 HA HIS 87 HA HIS 87 -2.574 -6.417 -0.750 680 HB2 HIS 87 2HB HIS 87 -3.011 -3.882 0.813 681 HB3 HIS 87 1HB HIS 87 -3.965 -5.362 0.831 682 HD1 HIS 87 1HD HIS 87 -2.748 -7.469 2.013 683 HD2 HIS 87 2HD HIS 87 -1.120 -3.720 2.767 684 HE1 HIS 87 1HE HIS 87 -1.306 -7.759 4.054 685 HE2 HIS 87 2HE HIS 87 -0.276 -5.494 4.450 686 H MET 88 H MET 88 -3.874 -6.110 -2.439 687 HA MET 88 HA MET 88 -3.604 -3.677 -3.998 688 HB2 MET 88 2HB MET 88 -3.635 -6.046 -4.956 689 HB3 MET 88 1HB MET 88 -5.365 -6.035 -4.644 690 HG2 MET 88 2HG MET 88 -5.801 -4.544 -6.304 691 HG3 MET 88 1HG MET 88 -4.222 -3.770 -6.177 692 HE1 MET 88 3HE MET 88 -3.172 -4.585 -9.459 693 HE2 MET 88 1HE MET 88 -2.049 -4.708 -8.105 694 HE3 MET 88 2HE MET 88 -3.336 -3.503 -8.077 695 H PHE 89 H PHE 89 -4.805 -1.985 -3.436 696 HA PHE 89 HA PHE 89 -7.564 -2.452 -2.523 697 HB2 PHE 89 2HB PHE 89 -5.760 -0.062 -2.085 698 HB3 PHE 89 1HB PHE 89 -7.424 -0.188 -1.524 699 HD1 PHE 89 2HD PHE 89 -7.860 -2.473 -0.156 700 HD2 PHE 89 1HD PHE 89 -4.132 -0.456 -0.533 701 HE1 PHE 89 2HE PHE 89 -7.079 -3.537 1.921 702 HE2 PHE 89 1HE PHE 89 -3.344 -1.517 1.543 703 HZ PHE 89 HZ PHE 89 -4.819 -3.059 2.773 704 H SER 90 H SER 90 -9.253 -1.549 -3.592 705 HA SER 90 HA SER 90 -8.611 0.098 -5.951 706 HB2 SER 90 2HB SER 90 -10.945 -0.975 -6.703 707 HB3 SER 90 1HB SER 90 -9.402 -1.773 -7.011 708 HG SER 90 HG SER 90 -10.875 -3.211 -6.062 709 H PHE 91 H PHE 91 -9.359 2.097 -5.806 710 HA PHE 91 HA PHE 91 -11.567 2.667 -3.972 711 HB2 PHE 91 2HB PHE 91 -9.496 4.420 -5.290 712 HB3 PHE 91 1HB PHE 91 -10.869 5.076 -4.405 713 HD1 PHE 91 2HD PHE 91 -8.281 2.432 -3.889 714 HD2 PHE 91 1HD PHE 91 -10.435 5.714 -2.254 715 HE1 PHE 91 2HE PHE 91 -7.034 2.194 -1.782 716 HE2 PHE 91 1HE PHE 91 -9.197 5.487 -0.147 717 HZ PHE 91 HZ PHE 91 -7.491 3.725 0.099 718 H ASN 92 H ASN 92 -12.893 4.716 -4.825 719 HA ASN 92 HA ASN 92 -13.566 4.364 -7.648 720 HB2 ASN 92 2HB ASN 92 -15.373 3.802 -5.330 721 HB3 ASN 92 1HB ASN 92 -16.059 4.448 -6.818 722 HD21 ASN 92 1HD2 ASN 92 -16.861 2.935 -8.059 723 HD22 ASN 92 2HD2 ASN 92 -16.234 1.338 -8.267 724 H ASN 93 H ASN 93 -12.224 6.526 -6.563 725 HA ASN 93 HA ASN 93 -13.759 8.679 -7.488 726 HB2 ASN 93 2HB ASN 93 -14.355 7.989 -4.809 727 HB3 ASN 93 1HB ASN 93 -13.414 9.476 -4.750 728 HD21 ASN 93 1HD2 ASN 93 -15.179 10.667 -4.057 729 HD22 ASN 93 2HD2 ASN 93 -16.485 11.088 -5.122 730 H ARG 94 H ARG 94 -12.646 10.756 -7.270 731 HA ARG 94 HA ARG 94 -9.801 10.398 -7.449 732 HB2 ARG 94 2HB ARG 94 -11.014 13.122 -7.401 733 HB3 ARG 94 1HB ARG 94 -9.725 12.488 -8.413 734 HG2 ARG 94 2HG ARG 94 -11.515 11.107 -9.569 735 HG3 ARG 94 1HG ARG 94 -12.686 12.121 -8.722 736 HD2 ARG 94 2HD ARG 94 -12.146 13.990 -9.929 737 HD3 ARG 94 1HD ARG 94 -10.492 13.456 -10.220 738 HE ARG 94 HE ARG 94 -12.704 13.065 -11.927 739 HH11 ARG 94 1HH1 ARG 94 -9.860 11.427 -10.743 740 HH12 ARG 94 2HH1 ARG 94 -9.694 10.431 -12.149 741 HH21 ARG 94 1HH2 ARG 94 -12.488 11.755 -13.779 742 HH22 ARG 94 2HH2 ARG 94 -11.186 10.618 -13.873 743 H THR 95 H THR 95 -12.010 12.105 -5.255 744 HA THR 95 HA THR 95 -9.989 13.165 -3.602 745 HB THR 95 HB THR 95 -12.622 12.717 -2.447 746 HG1 THR 95 1HG THR 95 -12.356 14.171 -4.853 747 HG21 THR 95 3HG2 THR 95 -11.189 15.259 -3.096 748 HG22 THR 95 1HG2 THR 95 -11.006 14.368 -1.586 749 HG23 THR 95 2HG2 THR 95 -12.569 15.064 -2.016 750 H VAL 96 H VAL 96 -12.079 10.311 -3.385 751 HA VAL 96 HA VAL 96 -11.338 9.485 -0.822 752 HB VAL 96 HB VAL 96 -13.247 8.537 -2.087 753 HG11 VAL 96 1HG1 VAL 96 -11.913 8.310 -4.230 754 HG12 VAL 96 2HG1 VAL 96 -12.985 6.970 -3.824 755 HG13 VAL 96 3HG1 VAL 96 -11.251 6.829 -3.543 756 HG21 VAL 96 3HG2 VAL 96 -12.491 6.030 -1.545 757 HG22 VAL 96 1HG2 VAL 96 -12.906 7.198 -0.291 758 HG23 VAL 96 2HG2 VAL 96 -11.215 6.900 -0.693 759 H MET 97 H MET 97 -9.952 8.606 -3.977 760 HA MET 97 HA MET 97 -7.964 6.896 -2.899 761 HB2 MET 97 2HB MET 97 -6.903 7.089 -5.131 762 HB3 MET 97 1HB MET 97 -8.605 6.665 -5.214 763 HG2 MET 97 2HG MET 97 -8.485 8.240 -6.851 764 HG3 MET 97 1HG MET 97 -8.919 9.248 -5.474 765 HE1 MET 97 3HE MET 97 -7.173 9.229 -8.458 766 HE2 MET 97 1HE MET 97 -5.862 8.196 -7.891 767 HE3 MET 97 2HE MET 97 -5.554 9.894 -8.247 768 H ASP 98 H ASP 98 -8.142 10.286 -3.610 769 HA ASP 98 HA ASP 98 -5.372 10.851 -3.275 770 HB2 ASP 98 2HB ASP 98 -7.053 12.294 -4.505 771 HB3 ASP 98 1HB ASP 98 -7.656 12.797 -2.929 772 H ASN 99 H ASN 99 -8.109 10.598 -1.119 773 HA ASN 99 HA ASN 99 -7.011 11.971 1.091 774 HB2 ASN 99 2HB ASN 99 -9.230 10.029 0.675 775 HB3 ASN 99 1HB ASN 99 -8.649 10.260 2.322 776 HD21 ASN 99 1HD2 ASN 99 -11.054 11.106 0.490 777 HD22 ASN 99 2HD2 ASN 99 -11.318 12.751 0.979 778 H ILE 100 H ILE 100 -7.221 8.472 0.438 779 HA ILE 100 HA ILE 100 -5.605 7.717 2.637 780 HB ILE 100 HB ILE 100 -6.157 6.182 0.092 781 HG12 ILE 100 2HG1 ILE 100 -8.196 6.904 1.338 782 HG13 ILE 100 1HG1 ILE 100 -7.996 5.157 1.276 783 HG21 ILE 100 1HG2 ILE 100 -4.238 5.352 1.424 784 HG22 ILE 100 2HG2 ILE 100 -5.572 4.203 1.326 785 HG23 ILE 100 3HG2 ILE 100 -5.325 5.145 2.797 786 HD11 ILE 100 3HD1 ILE 100 -7.035 5.243 3.553 787 HD12 ILE 100 1HD1 ILE 100 -8.716 5.766 3.459 788 HD13 ILE 100 2HD1 ILE 100 -7.427 6.962 3.605 789 H LYS 101 H LYS 101 -4.914 8.133 -0.816 790 HA LYS 101 HA LYS 101 -2.295 7.268 -0.892 791 HB2 LYS 101 2HB LYS 101 -3.574 7.860 -2.887 792 HB3 LYS 101 1HB LYS 101 -3.539 9.555 -2.427 793 HG2 LYS 101 2HG LYS 101 -0.979 8.069 -2.803 794 HG3 LYS 101 1HG LYS 101 -1.877 8.655 -4.204 795 HD2 LYS 101 2HD LYS 101 -1.894 10.851 -2.600 796 HD3 LYS 101 1HD LYS 101 -0.333 10.136 -2.192 797 HE2 LYS 101 2HE LYS 101 -1.309 10.843 -4.958 798 HE3 LYS 101 1HE LYS 101 -0.102 11.723 -4.021 799 HZ1 LYS 101 3HZ LYS 101 1.431 10.002 -4.243 800 HZ2 LYS 101 1HZ LYS 101 0.719 10.095 -5.776 801 HZ3 LYS 101 2HZ LYS 101 0.261 8.870 -4.703 802 H MET 102 H MET 102 -3.496 10.510 -0.059 803 HA MET 102 HA MET 102 -0.822 11.473 0.421 804 HB2 MET 102 2HB MET 102 -1.844 13.594 0.936 805 HB3 MET 102 1HB MET 102 -2.573 12.941 -0.524 806 HG2 MET 102 2HG MET 102 -4.441 13.631 0.555 807 HG3 MET 102 1HG MET 102 -4.332 11.992 1.191 808 HE1 MET 102 3HE MET 102 -5.519 15.256 2.857 809 HE2 MET 102 1HE MET 102 -4.360 15.535 1.556 810 HE3 MET 102 2HE MET 102 -3.943 15.962 3.216 811 H THR 103 H THR 103 -3.609 10.589 2.356 812 HA THR 103 HA THR 103 -2.619 11.408 4.846 813 HB THR 103 HB THR 103 -4.546 9.177 4.169 814 HG1 THR 103 1HG THR 103 -5.230 11.276 3.588 815 HG21 THR 103 3HG2 THR 103 -3.378 9.699 6.670 816 HG22 THR 103 1HG2 THR 103 -4.745 8.647 6.302 817 HG23 THR 103 2HG2 THR 103 -5.021 10.336 6.730 818 H LEU 104 H LEU 104 -2.499 8.174 3.336 819 HA LEU 104 HA LEU 104 -1.077 6.906 5.364 820 HB2 LEU 104 2HB LEU 104 -1.484 6.446 2.468 821 HB3 LEU 104 1HB LEU 104 -0.106 5.638 3.190 822 HG LEU 104 HG LEU 104 -1.559 4.523 4.796 823 HD11 LEU 104 1HD1 LEU 104 -3.650 6.256 3.542 824 HD12 LEU 104 2HD1 LEU 104 -3.304 5.978 5.249 825 HD13 LEU 104 3HD1 LEU 104 -4.083 4.719 4.289 826 HD21 LEU 104 3HD2 LEU 104 -2.266 2.904 3.361 827 HD22 LEU 104 1HD2 LEU 104 -1.240 3.818 2.256 828 HD23 LEU 104 2HD2 LEU 104 -2.986 4.056 2.237 829 H GLN 105 H GLN 105 0.127 8.644 2.515 830 HA GLN 105 HA GLN 105 2.840 8.291 2.825 831 HB2 GLN 105 2HB GLN 105 1.142 9.951 1.303 832 HB3 GLN 105 1HB GLN 105 2.325 11.011 2.058 833 HG2 GLN 105 2HG GLN 105 4.132 9.825 1.075 834 HG3 GLN 105 1HG GLN 105 3.061 8.539 0.520 835 HE21 GLN 105 1HE2 GLN 105 1.179 9.452 -0.860 836 HE22 GLN 105 2HE2 GLN 105 1.660 10.550 -2.116 837 H GLN 106 H GLN 106 0.725 10.578 4.471 838 HA GLN 106 HA GLN 106 2.680 12.113 5.741 839 HB2 GLN 106 2HB GLN 106 -0.174 11.492 6.277 840 HB3 GLN 106 1HB GLN 106 0.754 12.174 7.601 841 HG2 GLN 106 2HG GLN 106 -0.580 13.664 5.868 842 HG3 GLN 106 1HG GLN 106 0.913 14.205 6.627 843 HE21 GLN 106 1HE2 GLN 106 2.855 14.128 5.405 844 HE22 GLN 106 2HE2 GLN 106 2.812 14.144 3.669 845 H ILE 107 H ILE 107 1.443 8.955 6.431 846 HA ILE 107 HA ILE 107 2.765 8.750 9.000 847 HB ILE 107 HB ILE 107 1.276 6.742 7.303 848 HG12 ILE 107 2HG1 ILE 107 0.184 7.052 9.903 849 HG13 ILE 107 1HG1 ILE 107 0.502 8.669 9.285 850 HG21 ILE 107 1HG2 ILE 107 2.594 6.325 9.980 851 HG22 ILE 107 2HG2 ILE 107 3.016 5.545 8.455 852 HG23 ILE 107 3HG2 ILE 107 1.466 5.199 9.223 853 HD11 ILE 107 3HD1 ILE 107 -1.137 6.542 7.929 854 HD12 ILE 107 1HD1 ILE 107 -0.802 8.147 7.282 855 HD13 ILE 107 2HD1 ILE 107 -1.751 7.973 8.758 856 H ILE 108 H ILE 108 3.275 7.878 5.675 857 HA ILE 108 HA ILE 108 5.375 6.046 5.892 858 HB ILE 108 HB ILE 108 4.993 8.133 3.739 859 HG12 ILE 108 2HG1 ILE 108 2.954 6.817 4.138 860 HG13 ILE 108 1HG1 ILE 108 3.653 6.499 2.560 861 HG21 ILE 108 1HG2 ILE 108 6.355 5.452 3.632 862 HG22 ILE 108 2HG2 ILE 108 7.159 7.023 3.650 863 HG23 ILE 108 3HG2 ILE 108 6.137 6.570 2.286 864 HD11 ILE 108 3HD1 ILE 108 2.782 4.554 4.049 865 HD12 ILE 108 1HD1 ILE 108 4.352 4.720 4.834 866 HD13 ILE 108 2HD1 ILE 108 4.261 4.369 3.108 867 H SER 109 H SER 109 5.603 9.490 5.072 868 HA SER 109 HA SER 109 8.365 9.730 5.379 869 HB2 SER 109 2HB SER 109 7.284 11.472 4.212 870 HB3 SER 109 1HB SER 109 6.128 11.742 5.518 871 HG SER 109 HG SER 109 8.911 12.303 5.568 872 H ARG 110 H ARG 110 5.882 9.574 7.751 873 HA ARG 110 HA ARG 110 7.076 10.944 9.875 874 HB2 ARG 110 2HB ARG 110 5.062 10.413 10.689 875 HB3 ARG 110 1HB ARG 110 4.848 9.158 9.483 876 HG2 ARG 110 2HG ARG 110 6.103 7.600 10.933 877 HG3 ARG 110 1HG ARG 110 6.199 8.866 12.158 878 HD2 ARG 110 2HD ARG 110 3.491 8.406 11.167 879 HD3 ARG 110 1HD ARG 110 4.205 6.989 11.938 880 HE ARG 110 HE ARG 110 4.724 9.011 13.679 881 HH11 ARG 110 1HH1 ARG 110 1.822 7.795 12.170 882 HH12 ARG 110 2HH1 ARG 110 0.797 8.246 13.491 883 HH21 ARG 110 1HH2 ARG 110 3.377 9.605 15.417 884 HH22 ARG 110 2HH2 ARG 110 1.679 9.274 15.334 885 H TYR 111 H TYR 111 7.488 7.643 8.721 886 HA TYR 111 HA TYR 111 9.237 6.898 10.884 887 HB2 TYR 111 2HB TYR 111 8.915 5.455 8.253 888 HB3 TYR 111 1HB TYR 111 9.439 4.787 9.793 889 HD1 TYR 111 1HD TYR 111 7.559 5.357 11.741 890 HD2 TYR 111 2HD TYR 111 6.832 4.757 7.593 891 HE1 TYR 111 1HE TYR 111 5.244 4.699 12.248 892 HE2 TYR 111 2HE TYR 111 4.516 4.100 8.086 893 HH TYR 111 HH TYR 111 3.100 4.539 11.186 894 H LYS 112 H LYS 112 9.550 8.156 7.646 895 HA LYS 112 HA LYS 112 12.323 7.612 7.341 896 HB2 LYS 112 2HB LYS 112 10.863 9.845 5.952 897 HB3 LYS 112 1HB LYS 112 12.216 8.890 5.362 898 HG2 LYS 112 2HG LYS 112 10.674 6.905 5.352 899 HG3 LYS 112 1HG LYS 112 9.354 8.031 5.673 900 HD2 LYS 112 2HD LYS 112 9.206 8.161 3.435 901 HD3 LYS 112 1HD LYS 112 10.599 9.236 3.570 902 HE2 LYS 112 2HE LYS 112 10.991 7.538 1.875 903 HE3 LYS 112 1HE LYS 112 12.097 7.328 3.233 904 HZ1 LYS 112 3HZ LYS 112 10.970 5.265 2.305 905 HZ2 LYS 112 1HZ LYS 112 9.560 5.820 3.061 906 HZ3 LYS 112 2HZ LYS 112 10.933 5.470 3.984 907 H ASP 113 H ASP 113 10.551 10.618 8.061 908 HA ASP 113 HA ASP 113 12.790 12.233 8.502 909 HB2 ASP 113 2HB ASP 113 9.910 12.365 9.263 910 HB3 ASP 113 1HB ASP 113 11.027 13.454 10.081 911 H ALA 114 H ALA 114 11.144 9.963 10.586 912 HA ALA 114 HA ALA 114 12.497 10.831 12.979 913 HB1 ALA 114 1HB ALA 114 11.401 8.939 14.047 914 HB2 ALA 114 2HB ALA 114 10.882 8.335 12.473 915 HB3 ALA 114 3HB ALA 114 10.249 9.864 13.084 916 H ASP 115 H ASP 115 12.973 8.430 10.490 917 HA ASP 115 HA ASP 115 14.891 6.866 11.898 918 HB2 ASP 115 2HB ASP 115 13.607 6.014 9.958 919 HB3 ASP 115 1HB ASP 115 14.476 7.133 8.912 920 H TYR 90 1HT TYR 90 5.889 -7.187 -16.633 921 HA TYR 90 HA TYR 90 5.447 -5.218 -17.668 922 HB2 TYR 90 2HB TYR 90 4.586 -7.580 -18.677 923 HB3 TYR 90 1HB TYR 90 3.090 -6.655 -18.745 924 HD1 TYR 90 1HD TYR 90 6.709 -6.172 -19.569 925 HD2 TYR 90 2HD TYR 90 2.661 -5.538 -20.711 926 HE1 TYR 90 1HE TYR 90 7.470 -5.107 -21.651 927 HE2 TYR 90 2HE TYR 90 3.409 -4.472 -22.797 928 HH TYR 90 HH TYR 90 6.659 -3.560 -23.331 929 H ASP 91 H ASP 91 2.664 -6.412 -15.901 930 HA ASP 91 HA ASP 91 0.927 -4.245 -16.481 931 HB2 ASP 91 2HB ASP 91 0.475 -6.627 -15.418 932 HB3 ASP 91 1HB ASP 91 0.707 -5.749 -13.909 933 H SER 92 H SER 92 3.435 -4.768 -14.110 934 HA SER 92 HA SER 92 2.775 -2.771 -12.267 935 HB2 SER 92 2HB SER 92 5.650 -3.273 -12.888 936 HB3 SER 92 1HB SER 92 4.839 -3.162 -11.325 937 HG SER 92 HG SER 92 4.456 -5.234 -11.379 938 H GLU 93 H GLU 93 4.293 -2.596 -15.402 939 HA GLU 93 HA GLU 93 5.478 -0.070 -15.233 940 HB2 GLU 93 2HB GLU 93 4.482 -1.792 -17.449 941 HB3 GLU 93 1HB GLU 93 4.812 -0.103 -17.815 942 HG2 GLU 93 2HG GLU 93 6.882 -1.650 -16.355 943 HG3 GLU 93 1HG GLU 93 6.650 -1.973 -18.073 944 H GLU 94 H GLU 94 2.149 -1.018 -15.689 945 HA GLU 94 HA GLU 94 1.242 1.575 -16.513 946 HB2 GLU 94 2HB GLU 94 -0.431 -0.661 -15.370 947 HB3 GLU 94 1HB GLU 94 -0.968 0.659 -16.398 948 HG2 GLU 94 2HG GLU 94 1.141 -0.971 -17.585 949 HG3 GLU 94 1HG GLU 94 -0.342 -1.859 -17.239 950 H PHE 95 H PHE 95 1.616 -0.123 -13.483 951 HA PHE 95 HA PHE 95 0.230 1.996 -12.025 952 HB2 PHE 95 2HB PHE 95 0.222 -0.673 -11.624 953 HB3 PHE 95 1HB PHE 95 1.536 -0.213 -10.546 954 HD1 PHE 95 1HD PHE 95 1.029 1.734 -8.905 955 HD2 PHE 95 2HD PHE 95 -1.955 -0.567 -10.880 956 HE1 PHE 95 1HE PHE 95 -0.607 2.392 -7.189 957 HE2 PHE 95 2HE PHE 95 -3.598 0.088 -9.169 958 HZ PHE 95 HZ PHE 95 -2.925 1.570 -7.321 959 H GLU 96 H GLU 96 1.234 3.492 -10.797 960 HA GLU 96 HA GLU 96 4.169 3.496 -10.848 961 HB2 GLU 96 2HB GLU 96 2.083 5.603 -10.847 962 HB3 GLU 96 1HB GLU 96 3.555 5.963 -9.954 963 HG2 GLU 96 2HG GLU 96 4.782 6.192 -11.813 964 HG3 GLU 96 1HG GLU 96 3.986 4.846 -12.629 965 H ASP 97 H ASP 97 5.283 4.378 -8.923 966 HA ASP 97 HA ASP 97 4.110 3.235 -6.503 967 HB2 ASP 97 2HB ASP 97 6.589 2.929 -7.512 968 HB3 ASP 97 1HB ASP 97 6.873 4.313 -6.461 969 H VAL 98 H VAL 98 4.432 4.389 -4.439 970 HA VAL 98 HA VAL 98 4.429 7.315 -4.740 971 HB VAL 98 HB VAL 98 2.506 5.803 -2.969 972 HG11 VAL 98 1HG1 VAL 98 2.561 7.804 -1.925 973 HG12 VAL 98 2HG1 VAL 98 1.475 8.273 -3.233 974 HG13 VAL 98 3HG1 VAL 98 3.195 8.646 -3.340 975 HG21 VAL 98 3HG2 VAL 98 2.174 5.638 -5.517 976 HG22 VAL 98 1HG2 VAL 98 1.726 7.341 -5.420 977 HG23 VAL 98 2HG2 VAL 98 0.804 6.133 -4.523 978 H THR 99 H THR 99 6.294 7.824 -3.741 979 HA THR 99 HA THR 99 6.513 7.202 -0.905 980 HB THR 99 HB THR 99 9.100 6.821 -1.543 981 HG1 THR 99 1HG THR 99 9.252 6.485 -3.599 982 HG21 THR 99 3HG2 THR 99 7.355 4.438 -1.868 983 HG22 THR 99 1HG2 THR 99 7.364 5.295 -0.327 984 HG23 THR 99 2HG2 THR 99 8.863 4.625 -0.971 985 H ASP 100 H ASP 100 6.526 9.204 -0.102 986 HA ASP 100 HA ASP 100 7.445 11.497 -1.433 987 HB2 ASP 100 2HB ASP 100 7.404 12.522 0.898 988 HB3 ASP 100 1HB ASP 100 5.894 11.810 0.336 989 H GLY 101 H GLY 101 9.206 12.947 -0.595 990 HA2 GLY 101 2HA GLY 101 11.335 13.106 0.561 991 HA3 GLY 101 1HA GLY 101 11.550 11.385 0.283 992 H ASN 102 H ASN 102 12.606 10.723 -1.502 993 HA ASN 102 HA ASN 102 13.861 10.810 -3.396 994 HB2 ASN 102 2HB ASN 102 11.482 11.780 -4.134 995 HB3 ASN 102 1HB ASN 102 12.449 13.225 -4.412 996 HD21 ASN 102 1HD2 ASN 102 14.013 13.219 -6.011 997 HD22 ASN 102 2HD2 ASN 102 14.081 11.999 -7.233 998 H GLU 103 H GLU 103 15.382 12.213 -4.674 999 HA GLU 103 HA GLU 103 16.269 14.556 -3.138 1000 HB2 GLU 103 2HB GLU 103 17.796 12.091 -3.806 1001 HB3 GLU 103 1HB GLU 103 18.652 13.623 -3.900 1002 HG2 GLU 103 2HG GLU 103 17.064 13.081 -1.458 1003 HG3 GLU 103 1HG GLU 103 18.563 12.182 -1.685 1004 H VAL 104 H VAL 104 16.469 16.287 -4.385 1005 HA VAL 104 HA VAL 104 16.113 16.205 -7.185 1006 HB VAL 104 HB VAL 104 16.706 18.612 -7.141 1007 HG11 VAL 104 1HG1 VAL 104 14.914 19.194 -5.325 1008 HG12 VAL 104 2HG1 VAL 104 14.692 17.446 -5.277 1009 HG13 VAL 104 3HG1 VAL 104 14.453 18.323 -6.787 1010 HG21 VAL 104 3HG2 VAL 104 16.847 19.385 -4.567 1011 HG22 VAL 104 1HG2 VAL 104 18.263 19.108 -5.581 1012 HG23 VAL 104 2HG2 VAL 104 17.711 17.850 -4.475 Start of MODEL 20 1 H2 PRO 1 1HT PRO 1 -13.100 13.600 6.275 2 H3 PRO 1 2HT PRO 1 -13.503 12.899 7.709 3 HA PRO 1 HA PRO 1 -12.819 11.005 7.187 4 HB2 PRO 1 2HB PRO 1 -13.185 10.655 4.401 5 HB3 PRO 1 1HB PRO 1 -14.134 9.937 5.709 6 HG2 PRO 1 2HG PRO 1 -14.673 12.374 4.098 7 HG3 PRO 1 1HG PRO 1 -15.814 11.221 4.814 8 HD2 PRO 1 2HD PRO 1 -15.476 13.639 5.886 9 HD3 PRO 1 1HD PRO 1 -15.683 12.215 6.923 10 H SER 2 H SER 2 -10.796 12.099 7.573 11 HA SER 2 HA SER 2 -9.252 12.696 5.143 12 HB2 SER 2 2HB SER 2 -9.553 14.283 7.303 13 HB3 SER 2 1HB SER 2 -8.127 13.373 7.804 14 HG SER 2 HG SER 2 -8.333 15.358 5.991 15 H HIS 3 H HIS 3 -8.971 11.088 8.304 16 HA HIS 3 HA HIS 3 -6.677 9.570 7.305 17 HB2 HIS 3 2HB HIS 3 -7.738 10.227 10.015 18 HB3 HIS 3 1HB HIS 3 -6.809 8.745 9.823 19 HD1 HIS 3 1HD HIS 3 -6.378 12.414 8.881 20 HD2 HIS 3 2HD HIS 3 -4.173 9.154 10.216 21 HE1 HIS 3 1HE HIS 3 -4.038 13.275 9.210 22 HE2 HIS 3 2HE HIS 3 -2.741 11.305 10.098 23 H SER 4 H SER 4 -9.195 8.966 6.196 24 HA SER 4 HA SER 4 -9.235 6.187 6.371 25 HB2 SER 4 2HB SER 4 -11.443 5.859 7.527 26 HB3 SER 4 1HB SER 4 -10.140 6.386 8.593 27 HG SER 4 HG SER 4 -10.977 8.478 8.510 28 H GLY 5 H GLY 5 -10.285 5.375 4.643 29 HA2 GLY 5 2HA GLY 5 -12.481 6.885 3.442 30 HA3 GLY 5 1HA GLY 5 -11.050 6.624 2.453 31 H ALA 6 H ALA 6 -13.658 5.652 1.828 32 HA ALA 6 HA ALA 6 -13.876 2.909 2.566 33 HB1 ALA 6 1HB ALA 6 -15.465 2.917 0.501 34 HB2 ALA 6 2HB ALA 6 -15.241 4.666 0.578 35 HB3 ALA 6 3HB ALA 6 -15.909 3.801 1.963 36 H ALA 7 H ALA 7 -12.297 1.550 2.045 37 HA ALA 7 HA ALA 7 -11.238 1.620 -0.707 38 HB1 ALA 7 1HB ALA 7 -9.640 2.030 1.220 39 HB2 ALA 7 2HB ALA 7 -9.188 0.752 0.091 40 HB3 ALA 7 3HB ALA 7 -9.888 0.337 1.655 41 H ILE 8 H ILE 8 -10.771 -0.409 -1.743 42 HA ILE 8 HA ILE 8 -12.610 -2.533 -0.886 43 HB ILE 8 HB ILE 8 -11.595 -1.719 -3.584 44 HG12 ILE 8 2HG1 ILE 8 -14.329 -2.425 -3.564 45 HG13 ILE 8 1HG1 ILE 8 -14.038 -1.495 -2.098 46 HG21 ILE 8 1HG2 ILE 8 -11.244 -4.092 -3.583 47 HG22 ILE 8 2HG2 ILE 8 -12.695 -3.735 -4.520 48 HG23 ILE 8 3HG2 ILE 8 -12.838 -4.370 -2.881 49 HD11 ILE 8 3HD1 ILE 8 -14.736 -0.120 -3.993 50 HD12 ILE 8 1HD1 ILE 8 -13.279 -0.615 -4.855 51 HD13 ILE 8 2HD1 ILE 8 -13.149 0.317 -3.362 52 H PHE 9 H PHE 9 -11.934 -4.678 -0.779 53 HA PHE 9 HA PHE 9 -9.132 -5.287 -1.316 54 HB2 PHE 9 2HB PHE 9 -9.190 -4.550 1.042 55 HB3 PHE 9 1HB PHE 9 -10.412 -5.770 1.385 56 HD1 PHE 9 2HD PHE 9 -7.096 -5.694 -0.335 57 HD2 PHE 9 1HD PHE 9 -9.616 -7.579 2.529 58 HE1 PHE 9 2HE PHE 9 -5.321 -7.327 0.146 59 HE2 PHE 9 1HE PHE 9 -7.846 -9.216 3.017 60 HZ PHE 9 HZ PHE 9 -5.694 -9.092 1.825 61 H GLU 10 H GLU 10 -8.797 -7.389 -1.921 62 HA GLU 10 HA GLU 10 -9.336 -9.438 -2.759 63 HB2 GLU 10 2HB GLU 10 -10.738 -9.302 -0.136 64 HB3 GLU 10 1HB GLU 10 -11.146 -10.635 -1.209 65 HG2 GLU 10 2HG GLU 10 -8.286 -10.028 -0.617 66 HG3 GLU 10 1HG GLU 10 -9.264 -10.909 0.556 67 H LYS 11 H LYS 11 -10.859 -7.122 -3.685 68 HA LYS 11 HA LYS 11 -12.429 -6.829 -5.322 69 HB2 LYS 11 2HB LYS 11 -13.606 -9.536 -4.747 70 HB3 LYS 11 1HB LYS 11 -13.666 -8.607 -6.238 71 HG2 LYS 11 2HG LYS 11 -10.981 -8.960 -5.901 72 HG3 LYS 11 1HG LYS 11 -11.639 -10.466 -5.260 73 HD2 LYS 11 2HD LYS 11 -13.107 -10.211 -7.513 74 HD3 LYS 11 1HD LYS 11 -11.608 -9.429 -8.020 75 HE2 LYS 11 2HE LYS 11 -10.336 -11.371 -7.595 76 HE3 LYS 11 1HE LYS 11 -11.648 -12.123 -6.689 77 HZ1 LYS 11 3HZ LYS 11 -12.869 -11.861 -8.980 78 HZ2 LYS 11 1HZ LYS 11 -11.861 -13.185 -8.672 79 HZ3 LYS 11 2HZ LYS 11 -11.288 -11.881 -9.582 80 H VAL 12 H VAL 12 -12.957 -7.268 -2.084 81 HA VAL 12 HA VAL 12 -15.802 -6.579 -2.286 82 HB VAL 12 HB VAL 12 -15.199 -8.524 -0.860 83 HG11 VAL 12 1HG1 VAL 12 -13.485 -6.518 0.444 84 HG12 VAL 12 2HG1 VAL 12 -13.283 -8.260 0.281 85 HG13 VAL 12 3HG1 VAL 12 -14.364 -7.611 1.510 86 HG21 VAL 12 3HG2 VAL 12 -17.021 -8.105 0.356 87 HG22 VAL 12 1HG2 VAL 12 -17.024 -6.508 -0.393 88 HG23 VAL 12 2HG2 VAL 12 -16.254 -6.745 1.178 89 H SER 13 H SER 13 -16.583 -4.680 -1.473 90 HA SER 13 HA SER 13 -14.598 -2.635 -0.982 91 HB2 SER 13 2HB SER 13 -17.495 -2.001 -0.782 92 HB3 SER 13 1HB SER 13 -16.193 -1.100 -1.557 93 HG SER 13 HG SER 13 -16.216 -2.912 -3.134 94 H GLY 14 H GLY 14 -14.340 -1.461 0.871 95 HA2 GLY 14 2HA GLY 14 -16.029 -2.043 3.176 96 HA3 GLY 14 1HA GLY 14 -14.337 -2.501 3.304 97 H ILE 15 H ILE 15 -13.774 -1.083 4.902 98 HA ILE 15 HA ILE 15 -13.695 1.741 4.093 99 HB ILE 15 HB ILE 15 -14.166 0.974 6.956 100 HG12 ILE 15 2HG1 ILE 15 -16.017 0.092 5.497 101 HG13 ILE 15 1HG1 ILE 15 -16.528 1.262 6.707 102 HG21 ILE 15 1HG2 ILE 15 -15.174 3.356 6.854 103 HG22 ILE 15 2HG2 ILE 15 -14.271 3.491 5.344 104 HG23 ILE 15 3HG2 ILE 15 -13.417 3.161 6.860 105 HD11 ILE 15 3HD1 ILE 15 -16.894 2.916 5.112 106 HD12 ILE 15 1HD1 ILE 15 -17.496 1.441 4.356 107 HD13 ILE 15 2HD1 ILE 15 -15.920 2.089 3.896 108 H ILE 16 H ILE 16 -11.678 2.422 4.071 109 HA ILE 16 HA ILE 16 -9.685 1.002 5.672 110 HB ILE 16 HB ILE 16 -9.655 2.357 3.090 111 HG12 ILE 16 2HG1 ILE 16 -7.772 0.445 4.476 112 HG13 ILE 16 1HG1 ILE 16 -9.086 0.010 3.391 113 HG21 ILE 16 1HG2 ILE 16 -7.420 3.271 3.197 114 HG22 ILE 16 2HG2 ILE 16 -7.335 2.919 4.924 115 HG23 ILE 16 3HG2 ILE 16 -8.487 4.114 4.318 116 HD11 ILE 16 3HD1 ILE 16 -6.398 0.552 2.751 117 HD12 ILE 16 1HD1 ILE 16 -7.377 1.838 2.046 118 HD13 ILE 16 2HD1 ILE 16 -7.724 0.152 1.660 119 H ALA 17 H ALA 17 -8.971 1.865 7.500 120 HA ALA 17 HA ALA 17 -9.022 4.778 7.811 121 HB1 ALA 17 1HB ALA 17 -10.069 3.004 9.994 122 HB2 ALA 17 2HB ALA 17 -11.123 3.663 8.735 123 HB3 ALA 17 3HB ALA 17 -10.238 4.751 9.812 124 H ILE 18 H ILE 18 -7.170 5.511 8.570 125 HA ILE 18 HA ILE 18 -5.168 3.681 9.555 126 HB ILE 18 HB ILE 18 -4.995 6.682 9.270 127 HG12 ILE 18 2HG1 ILE 18 -3.587 5.826 7.188 128 HG13 ILE 18 1HG1 ILE 18 -4.674 4.446 7.316 129 HG21 ILE 18 1HG2 ILE 18 -3.296 5.028 10.609 130 HG22 ILE 18 2HG2 ILE 18 -2.834 6.558 9.864 131 HG23 ILE 18 3HG2 ILE 18 -2.580 5.043 8.997 132 HD11 ILE 18 3HD1 ILE 18 -5.845 7.175 7.313 133 HD12 ILE 18 1HD1 ILE 18 -6.502 5.658 6.699 134 HD13 ILE 18 2HD1 ILE 18 -5.246 6.504 5.796 135 H ASN 19 H ASN 19 -4.883 3.183 11.611 136 HA ASN 19 HA ASN 19 -6.188 4.731 13.690 137 HB2 ASN 19 2HB ASN 19 -6.023 2.121 13.474 138 HB3 ASN 19 1HB ASN 19 -4.452 2.352 14.239 139 HD21 ASN 19 1HD2 ASN 19 -4.507 2.051 16.331 140 HD22 ASN 19 2HD2 ASN 19 -5.818 2.433 17.389 141 H GLU 20 H GLU 20 -5.130 6.544 14.230 142 HA GLU 20 HA GLU 20 -2.221 6.521 14.427 143 HB2 GLU 20 2HB GLU 20 -4.295 8.702 14.510 144 HB3 GLU 20 1HB GLU 20 -2.627 9.003 14.979 145 HG2 GLU 20 2HG GLU 20 -2.157 7.871 12.631 146 HG3 GLU 20 1HG GLU 20 -3.783 8.469 12.307 147 H ASP 21 H ASP 21 -4.148 5.182 16.359 148 HA ASP 21 HA ASP 21 -3.534 6.615 18.827 149 HB2 ASP 21 2HB ASP 21 -5.345 4.311 18.142 150 HB3 ASP 21 1HB ASP 21 -4.904 4.645 19.814 151 H VAL 22 H VAL 22 -2.346 4.113 16.873 152 HA VAL 22 HA VAL 22 -1.033 2.661 19.014 153 HB VAL 22 HB VAL 22 -0.043 1.317 17.174 154 HG11 VAL 22 1HG1 VAL 22 -2.949 1.672 17.587 155 HG12 VAL 22 2HG1 VAL 22 -1.930 0.256 17.839 156 HG13 VAL 22 3HG1 VAL 22 -2.454 0.685 16.211 157 HG21 VAL 22 3HG2 VAL 22 -0.954 3.563 15.607 158 HG22 VAL 22 1HG2 VAL 22 -1.602 2.048 14.979 159 HG23 VAL 22 2HG2 VAL 22 0.140 2.252 15.164 160 H SER 23 H SER 23 1.445 2.096 17.853 161 HA SER 23 HA SER 23 2.789 4.647 18.298 162 HB2 SER 23 2HB SER 23 4.494 2.288 17.920 163 HB3 SER 23 1HB SER 23 4.473 3.469 19.229 164 HG SER 23 HG SER 23 3.162 2.230 20.344 165 HA PRO 24 HA PRO 24 4.567 3.530 14.066 166 HB2 PRO 24 2HB PRO 24 3.821 1.050 13.015 167 HB3 PRO 24 1HB PRO 24 5.337 1.416 13.837 168 HG2 PRO 24 2HG PRO 24 3.287 -0.295 14.745 169 HG3 PRO 24 1HG PRO 24 4.687 0.266 15.673 170 HD2 PRO 24 2HD PRO 24 1.882 1.254 15.690 171 HD3 PRO 24 1HD PRO 24 3.084 1.236 16.996 172 H ALA 25 H ALA 25 1.479 3.598 14.749 173 HA ALA 25 HA ALA 25 -0.477 4.075 13.687 174 HB1 ALA 25 1HB ALA 25 0.242 5.106 11.223 175 HB2 ALA 25 2HB ALA 25 1.639 5.439 12.250 176 HB3 ALA 25 3HB ALA 25 0.039 6.011 12.723 177 H GLU 26 H GLU 26 -1.743 2.473 13.032 178 HA GLU 26 HA GLU 26 -0.854 0.802 10.776 179 HB2 GLU 26 2HB GLU 26 -2.964 0.076 12.802 180 HB3 GLU 26 1HB GLU 26 -2.136 -0.989 11.674 181 HG2 GLU 26 2HG GLU 26 -0.129 -0.894 12.895 182 HG3 GLU 26 1HG GLU 26 -0.685 0.481 13.849 183 H LEU 27 H LEU 27 -2.607 -0.096 9.434 184 HA LEU 27 HA LEU 27 -4.761 1.862 9.000 185 HB2 LEU 27 2HB LEU 27 -3.112 1.892 7.202 186 HB3 LEU 27 1HB LEU 27 -3.271 0.159 6.998 187 HG LEU 27 HG LEU 27 -5.816 1.561 6.714 188 HD11 LEU 27 1HD1 LEU 27 -3.447 2.468 5.183 189 HD12 LEU 27 2HD1 LEU 27 -4.898 3.351 5.659 190 HD13 LEU 27 3HD1 LEU 27 -4.953 2.234 4.295 191 HD21 LEU 27 3HD2 LEU 27 -5.808 0.225 4.591 192 HD22 LEU 27 1HD2 LEU 27 -5.636 -0.721 6.068 193 HD23 LEU 27 2HD2 LEU 27 -4.224 -0.393 5.064 194 H THR 28 H THR 28 -6.613 0.982 9.742 195 HA THR 28 HA THR 28 -6.977 -1.916 9.500 196 HB THR 28 HB THR 28 -8.782 -0.095 11.057 197 HG1 THR 28 1HG THR 28 -7.409 -0.162 12.753 198 HG21 THR 28 3HG2 THR 28 -7.891 -2.851 11.801 199 HG22 THR 28 1HG2 THR 28 -9.247 -2.584 10.707 200 HG23 THR 28 2HG2 THR 28 -9.303 -1.949 12.352 201 H TRP 29 H TRP 29 -8.025 -2.580 7.762 202 HA TRP 29 HA TRP 29 -10.002 -0.903 6.473 203 HB2 TRP 29 2HB TRP 29 -8.458 -2.015 4.999 204 HB3 TRP 29 1HB TRP 29 -8.785 -3.574 5.753 205 HD1 TRP 29 HD TRP 29 -10.639 -0.911 3.683 206 HE1 TRP 29 1HE TRP 29 -12.410 -2.098 2.223 207 HE3 TRP 29 3HE TRP 29 -10.023 -5.660 5.422 208 HZ2 TRP 29 2HZ TRP 29 -13.410 -4.728 1.882 209 HZ3 TRP 29 3HZ TRP 29 -11.426 -7.456 4.494 210 HH2 TRP 29 HH TRP 29 -13.080 -6.997 2.764 211 H ARG 30 H ARG 30 -11.988 -0.956 7.316 212 HA ARG 30 HA ARG 30 -13.026 -3.532 8.304 213 HB2 ARG 30 2HB ARG 30 -13.923 -0.716 8.960 214 HB3 ARG 30 1HB ARG 30 -14.658 -2.186 9.589 215 HG2 ARG 30 2HG ARG 30 -13.294 -1.708 11.330 216 HG3 ARG 30 1HG ARG 30 -12.160 -2.646 10.358 217 HD2 ARG 30 2HD ARG 30 -10.860 -0.821 10.756 218 HD3 ARG 30 1HD ARG 30 -11.683 -0.261 9.300 219 HE ARG 30 HE ARG 30 -12.695 1.354 10.552 220 HH11 ARG 30 1HH1 ARG 30 -11.523 -1.134 12.701 221 HH12 ARG 30 2HH1 ARG 30 -11.922 -0.254 14.138 222 HH21 ARG 30 1HH2 ARG 30 -13.219 2.512 12.440 223 HH22 ARG 30 2HH2 ARG 30 -12.885 1.816 13.991 224 H SER 31 H SER 31 -14.341 -4.520 6.923 225 HA SER 31 HA SER 31 -15.306 -3.575 4.551 226 HB2 SER 31 2HB SER 31 -15.689 -5.810 4.607 227 HB3 SER 31 1HB SER 31 -16.021 -5.807 6.339 228 HG SER 31 HG SER 31 -17.842 -6.295 4.897 229 H THR 32 H THR 32 -17.662 -3.275 3.929 230 HA THR 32 HA THR 32 -18.687 -1.018 5.332 231 HB THR 32 HB THR 32 -20.590 -2.108 3.499 232 HG1 THR 32 1HG THR 32 -19.284 -2.198 1.654 233 HG21 THR 32 3HG2 THR 32 -20.269 0.287 3.966 234 HG22 THR 32 1HG2 THR 32 -20.226 -0.096 2.245 235 HG23 THR 32 2HG2 THR 32 -18.724 0.215 3.116 236 H ASP 33 H ASP 33 -19.586 -4.357 4.918 237 HA ASP 33 HA ASP 33 -21.865 -4.077 6.675 238 HB2 ASP 33 2HB ASP 33 -20.843 -6.604 5.387 239 HB3 ASP 33 1HB ASP 33 -22.442 -6.330 6.074 240 H GLY 34 H GLY 34 -18.675 -5.487 6.657 241 HA2 GLY 34 2HA GLY 34 -17.457 -5.580 8.754 242 HA3 GLY 34 1HA GLY 34 -18.969 -5.994 9.548 243 H ASP 35 H ASP 35 -18.343 -7.493 6.519 244 HA ASP 35 HA ASP 35 -18.093 -10.064 7.850 245 HB2 ASP 35 2HB ASP 35 -18.720 -9.176 5.062 246 HB3 ASP 35 1HB ASP 35 -18.147 -10.819 5.332 247 H LYS 36 H LYS 36 -16.088 -7.746 6.329 248 HA LYS 36 HA LYS 36 -13.842 -9.632 6.472 249 HB2 LYS 36 2HB LYS 36 -14.271 -7.671 4.213 250 HB3 LYS 36 1HB LYS 36 -12.908 -8.767 4.394 251 HG2 LYS 36 2HG LYS 36 -14.769 -10.602 4.407 252 HG3 LYS 36 1HG LYS 36 -15.720 -9.349 3.607 253 HD2 LYS 36 2HD LYS 36 -14.601 -9.587 1.684 254 HD3 LYS 36 1HD LYS 36 -13.037 -9.617 2.502 255 HE2 LYS 36 2HE LYS 36 -12.965 -11.870 2.553 256 HE3 LYS 36 1HE LYS 36 -14.692 -12.019 2.869 257 HZ1 LYS 36 3HZ LYS 36 -15.174 -11.736 0.582 258 HZ2 LYS 36 1HZ LYS 36 -13.939 -12.888 0.673 259 HZ3 LYS 36 2HZ LYS 36 -13.581 -11.300 0.216 260 H VAL 37 H VAL 37 -11.924 -8.801 7.172 261 HA VAL 37 HA VAL 37 -11.710 -5.924 7.605 262 HB VAL 37 HB VAL 37 -12.562 -7.523 9.668 263 HG11 VAL 37 1HG1 VAL 37 -10.792 -7.794 11.257 264 HG12 VAL 37 2HG1 VAL 37 -9.634 -7.023 10.173 265 HG13 VAL 37 3HG1 VAL 37 -10.315 -8.596 9.760 266 HG21 VAL 37 3HG2 VAL 37 -12.713 -5.092 9.511 267 HG22 VAL 37 1HG2 VAL 37 -10.994 -4.961 9.885 268 HG23 VAL 37 2HG2 VAL 37 -12.111 -5.605 11.088 269 H HIS 38 H HIS 38 -9.530 -5.223 8.119 270 HA HIS 38 HA HIS 38 -7.360 -7.107 7.900 271 HB2 HIS 38 2HB HIS 38 -8.231 -6.513 5.507 272 HB3 HIS 38 1HB HIS 38 -7.396 -4.986 5.780 273 HD1 HIS 38 1HD HIS 38 -6.844 -8.397 4.661 274 HD2 HIS 38 2HD HIS 38 -4.533 -5.364 6.313 275 HE1 HIS 38 1HE HIS 38 -4.458 -9.038 4.194 276 HE2 HIS 38 2HE HIS 38 -3.078 -7.247 5.305 277 H THR 39 H THR 39 -5.372 -6.241 8.549 278 HA THR 39 HA THR 39 -5.416 -3.420 9.386 279 HB THR 39 HB THR 39 -3.998 -5.405 11.099 280 HG1 THR 39 1HG THR 39 -5.827 -6.005 12.123 281 HG21 THR 39 3HG2 THR 39 -5.716 -3.174 12.068 282 HG22 THR 39 1HG2 THR 39 -4.116 -2.831 11.411 283 HG23 THR 39 2HG2 THR 39 -4.286 -3.899 12.804 284 H VAL 40 H VAL 40 -3.945 -2.487 8.112 285 HA VAL 40 HA VAL 40 -1.441 -3.890 7.510 286 HB VAL 40 HB VAL 40 -2.893 -1.617 6.237 287 HG11 VAL 40 1HG1 VAL 40 -0.850 -1.174 4.834 288 HG12 VAL 40 2HG1 VAL 40 0.075 -2.079 6.035 289 HG13 VAL 40 3HG1 VAL 40 -0.760 -0.595 6.499 290 HG21 VAL 40 3HG2 VAL 40 -1.602 -4.166 5.346 291 HG22 VAL 40 1HG2 VAL 40 -2.147 -2.938 4.199 292 HG23 VAL 40 2HG2 VAL 40 -3.311 -3.716 5.272 293 H VAL 41 H VAL 41 0.475 -3.235 8.266 294 HA VAL 41 HA VAL 41 0.407 -0.938 10.084 295 HB VAL 41 HB VAL 41 2.393 -3.210 9.941 296 HG11 VAL 41 1HG1 VAL 41 3.571 -1.175 10.542 297 HG12 VAL 41 2HG1 VAL 41 3.402 -2.207 11.962 298 HG13 VAL 41 3HG1 VAL 41 2.355 -0.800 11.765 299 HG21 VAL 41 3HG2 VAL 41 0.103 -2.495 11.719 300 HG22 VAL 41 1HG2 VAL 41 1.468 -3.401 12.377 301 HG23 VAL 41 2HG2 VAL 41 0.543 -4.059 11.027 302 H LEU 42 H LEU 42 0.898 0.870 9.097 303 HA LEU 42 HA LEU 42 2.311 1.213 6.751 304 HB2 LEU 42 2HB LEU 42 1.780 3.033 9.076 305 HB3 LEU 42 1HB LEU 42 2.713 3.582 7.696 306 HG LEU 42 HG LEU 42 0.429 4.299 7.439 307 HD11 LEU 42 1HD1 LEU 42 1.863 3.072 5.529 308 HD12 LEU 42 2HD1 LEU 42 0.283 3.802 5.246 309 HD13 LEU 42 3HD1 LEU 42 0.414 2.064 5.517 310 HD21 LEU 42 3HD2 LEU 42 -0.512 1.455 7.368 311 HD22 LEU 42 1HD2 LEU 42 -1.450 2.933 7.581 312 HD23 LEU 42 2HD2 LEU 42 -0.428 2.340 8.890 313 H SER 43 H SER 43 3.527 0.730 9.974 314 HA SER 43 HA SER 43 6.124 1.770 9.594 315 HB2 SER 43 2HB SER 43 5.579 1.434 11.837 316 HB3 SER 43 1HB SER 43 4.920 -0.174 11.537 317 HG SER 43 HG SER 43 7.666 0.493 11.280 318 H THR 44 H THR 44 4.629 -1.207 8.690 319 HA THR 44 HA THR 44 7.184 -2.429 7.985 320 HB THR 44 HB THR 44 6.085 -4.462 7.835 321 HG1 THR 44 1HG THR 44 3.622 -3.128 7.418 322 HG21 THR 44 3HG2 THR 44 4.344 -4.635 9.573 323 HG22 THR 44 1HG2 THR 44 4.337 -2.876 9.694 324 HG23 THR 44 2HG2 THR 44 5.790 -3.784 10.116 325 H ILE 45 H ILE 45 4.372 -0.987 6.582 326 HA ILE 45 HA ILE 45 4.480 -1.777 3.961 327 HB ILE 45 HB ILE 45 3.846 0.980 5.014 328 HG12 ILE 45 2HG1 ILE 45 2.355 -0.620 5.967 329 HG13 ILE 45 1HG1 ILE 45 1.478 0.159 4.655 330 HG21 ILE 45 1HG2 ILE 45 3.200 -0.220 2.323 331 HG22 ILE 45 2HG2 ILE 45 4.367 1.067 2.628 332 HG23 ILE 45 3HG2 ILE 45 2.651 1.346 2.917 333 HD11 ILE 45 3HD1 ILE 45 0.940 -2.000 4.229 334 HD12 ILE 45 1HD1 ILE 45 2.442 -2.627 4.906 335 HD13 ILE 45 2HD1 ILE 45 2.433 -1.905 3.298 336 H ASP 46 H ASP 46 6.258 -1.953 2.768 337 HA ASP 46 HA ASP 46 8.578 -0.396 3.050 338 HB2 ASP 46 2HB ASP 46 7.901 -2.690 1.683 339 HB3 ASP 46 1HB ASP 46 8.186 -1.541 0.380 340 H LYS 47 H LYS 47 5.733 -0.020 1.006 341 HA LYS 47 HA LYS 47 6.299 2.734 0.582 342 HB2 LYS 47 2HB LYS 47 6.141 1.951 -2.104 343 HB3 LYS 47 1HB LYS 47 7.531 2.639 -1.279 344 HG2 LYS 47 2HG LYS 47 8.552 0.589 -1.002 345 HG3 LYS 47 1HG LYS 47 7.035 -0.302 -1.148 346 HD2 LYS 47 2HD LYS 47 6.939 0.198 -3.521 347 HD3 LYS 47 1HD LYS 47 8.401 1.178 -3.395 348 HE2 LYS 47 2HE LYS 47 9.269 -1.152 -2.334 349 HE3 LYS 47 1HE LYS 47 8.079 -1.747 -3.490 350 HZ1 LYS 47 3HZ LYS 47 9.206 -0.526 -5.236 351 HZ2 LYS 47 1HZ LYS 47 10.286 -1.579 -4.470 352 HZ3 LYS 47 2HZ LYS 47 10.335 0.077 -4.130 353 H LEU 48 H LEU 48 4.673 3.780 -0.813 354 HA LEU 48 HA LEU 48 2.118 2.321 -0.680 355 HB2 LEU 48 2HB LEU 48 2.359 4.390 0.705 356 HB3 LEU 48 1HB LEU 48 2.571 5.305 -0.774 357 HG LEU 48 HG LEU 48 0.233 4.186 -1.369 358 HD11 LEU 48 1HD1 LEU 48 -0.828 4.597 1.165 359 HD12 LEU 48 2HD1 LEU 48 0.602 3.601 1.434 360 HD13 LEU 48 3HD1 LEU 48 -0.655 3.057 0.324 361 HD21 LEU 48 3HD2 LEU 48 -0.609 6.286 0.197 362 HD22 LEU 48 1HD2 LEU 48 -0.041 6.400 -1.468 363 HD23 LEU 48 2HD2 LEU 48 1.076 6.685 -0.134 364 H GLN 49 H GLN 49 0.616 2.610 -2.419 365 HA GLN 49 HA GLN 49 1.783 3.621 -4.918 366 HB2 GLN 49 2HB GLN 49 0.757 0.891 -4.335 367 HB3 GLN 49 1HB GLN 49 0.393 1.574 -5.914 368 HG2 GLN 49 2HG GLN 49 2.736 1.862 -6.383 369 HG3 GLN 49 1HG GLN 49 3.159 1.331 -4.755 370 HE21 GLN 49 1HE2 GLN 49 2.014 0.354 -7.889 371 HE22 GLN 49 2HE2 GLN 49 2.263 -1.350 -7.673 372 H ALA 50 H ALA 50 0.416 4.713 -6.227 373 HA ALA 50 HA ALA 50 -2.455 4.528 -5.837 374 HB1 ALA 50 1HB ALA 50 -1.023 7.157 -5.477 375 HB2 ALA 50 2HB ALA 50 -1.746 6.203 -4.181 376 HB3 ALA 50 3HB ALA 50 -2.768 6.899 -5.439 377 H THR 51 H THR 51 -3.558 4.864 -7.677 378 HA THR 51 HA THR 51 -2.042 5.365 -10.097 379 HB THR 51 HB THR 51 -4.244 4.900 -11.216 380 HG1 THR 51 1HG THR 51 -5.506 5.565 -9.352 381 HG21 THR 51 3HG2 THR 51 -3.066 2.908 -9.323 382 HG22 THR 51 1HG2 THR 51 -2.925 2.997 -11.079 383 HG23 THR 51 2HG2 THR 51 -4.450 2.506 -10.341 384 HA PRO 52 HA PRO 52 -2.811 9.822 -9.573 385 HB2 PRO 52 2HB PRO 52 -1.641 10.260 -12.083 386 HB3 PRO 52 1HB PRO 52 -0.818 10.343 -10.521 387 HG2 PRO 52 2HG PRO 52 -1.003 8.058 -12.442 388 HG3 PRO 52 1HG PRO 52 0.397 8.624 -11.511 389 HD2 PRO 52 2HD PRO 52 -0.896 6.487 -10.721 390 HD3 PRO 52 1HD PRO 52 -0.448 7.715 -9.513 391 H ALA 53 H ALA 53 -3.959 11.405 -10.882 392 HA ALA 53 HA ALA 53 -6.375 10.496 -11.899 393 HB1 ALA 53 1HB ALA 53 -5.430 12.913 -11.221 394 HB2 ALA 53 2HB ALA 53 -6.904 12.676 -12.160 395 HB3 ALA 53 3HB ALA 53 -5.390 13.059 -12.978 396 H SER 54 H SER 54 -3.297 10.558 -13.427 397 HA SER 54 HA SER 54 -4.186 10.771 -16.121 398 HB2 SER 54 2HB SER 54 -1.878 9.722 -16.583 399 HB3 SER 54 1HB SER 54 -1.915 11.294 -15.785 400 HG SER 54 HG SER 54 -1.384 8.755 -14.677 401 H SER 55 H SER 55 -4.152 8.221 -13.829 402 HA SER 55 HA SER 55 -4.401 6.159 -15.881 403 HB2 SER 55 2HB SER 55 -3.001 5.463 -14.101 404 HB3 SER 55 1HB SER 55 -4.120 6.069 -12.879 405 HG SER 55 HG SER 55 -5.405 4.357 -13.179 406 H GLU 56 H GLU 56 -6.332 5.693 -16.679 407 HA GLU 56 HA GLU 56 -8.748 6.718 -15.740 408 HB2 GLU 56 2HB GLU 56 -8.242 4.308 -17.490 409 HB3 GLU 56 1HB GLU 56 -9.816 5.056 -17.258 410 HG2 GLU 56 2HG GLU 56 -7.512 6.685 -18.232 411 HG3 GLU 56 1HG GLU 56 -8.404 5.647 -19.343 412 H LYS 57 H LYS 57 -6.970 3.953 -14.737 413 HA LYS 57 HA LYS 57 -9.269 2.859 -13.293 414 HB2 LYS 57 2HB LYS 57 -6.543 1.614 -13.273 415 HB3 LYS 57 1HB LYS 57 -8.114 0.844 -13.113 416 HG2 LYS 57 2HG LYS 57 -6.849 1.923 -15.617 417 HG3 LYS 57 1HG LYS 57 -7.218 0.242 -15.229 418 HD2 LYS 57 2HD LYS 57 -9.237 2.450 -15.631 419 HD3 LYS 57 1HD LYS 57 -8.850 1.179 -16.795 420 HE2 LYS 57 2HE LYS 57 -9.693 -0.513 -15.323 421 HE3 LYS 57 1HE LYS 57 -9.895 0.655 -14.017 422 HZ1 LYS 57 3HZ LYS 57 -11.738 1.571 -14.998 423 HZ2 LYS 57 1HZ LYS 57 -11.917 -0.048 -15.454 424 HZ3 LYS 57 2HZ LYS 57 -11.309 1.079 -16.558 425 H MET 58 H MET 58 -9.607 3.586 -11.309 426 HA MET 58 HA MET 58 -7.446 4.791 -9.790 427 HB2 MET 58 2HB MET 58 -10.300 4.436 -8.888 428 HB3 MET 58 1HB MET 58 -9.122 5.608 -8.317 429 HG2 MET 58 2HG MET 58 -9.288 6.164 -11.001 430 HG3 MET 58 1HG MET 58 -10.944 5.732 -10.578 431 HE1 MET 58 3HE MET 58 -8.460 9.172 -8.850 432 HE2 MET 58 1HE MET 58 -8.414 8.783 -10.569 433 HE3 MET 58 2HE MET 58 -7.865 7.599 -9.383 434 H MET 59 H MET 59 -6.128 3.389 -8.802 435 HA MET 59 HA MET 59 -7.246 1.604 -6.816 436 HB2 MET 59 2HB MET 59 -5.632 0.584 -9.155 437 HB3 MET 59 1HB MET 59 -5.872 -0.333 -7.674 438 HG2 MET 59 2HG MET 59 -8.256 -0.379 -8.042 439 HG3 MET 59 1HG MET 59 -8.081 0.640 -9.470 440 HE1 MET 59 3HE MET 59 -6.384 -1.355 -12.038 441 HE2 MET 59 1HE MET 59 -5.173 -1.416 -10.757 442 HE3 MET 59 2HE MET 59 -6.102 0.060 -11.023 443 H LEU 60 H LEU 60 -5.889 1.262 -5.118 444 HA LEU 60 HA LEU 60 -3.182 2.415 -5.335 445 HB2 LEU 60 2HB LEU 60 -5.244 2.610 -3.174 446 HB3 LEU 60 1HB LEU 60 -3.544 2.721 -2.760 447 HG LEU 60 HG LEU 60 -3.267 4.696 -4.083 448 HD11 LEU 60 1HD1 LEU 60 -5.342 5.677 -5.211 449 HD12 LEU 60 2HD1 LEU 60 -6.012 4.049 -5.104 450 HD13 LEU 60 3HD1 LEU 60 -4.530 4.334 -6.016 451 HD21 LEU 60 3HD2 LEU 60 -3.998 5.610 -2.170 452 HD22 LEU 60 1HD2 LEU 60 -5.396 4.538 -2.074 453 HD23 LEU 60 2HD2 LEU 60 -5.453 5.974 -3.097 454 H ARG 61 H ARG 61 -1.488 1.250 -4.535 455 HA ARG 61 HA ARG 61 -2.131 -1.400 -3.421 456 HB2 ARG 61 2HB ARG 61 -0.135 -0.504 -5.428 457 HB3 ARG 61 1HB ARG 61 0.368 -1.771 -4.317 458 HG2 ARG 61 2HG ARG 61 -1.865 -2.900 -5.010 459 HG3 ARG 61 1HG ARG 61 -1.770 -1.814 -6.397 460 HD2 ARG 61 2HD ARG 61 -0.042 -2.931 -7.319 461 HD3 ARG 61 1HD ARG 61 0.713 -3.255 -5.758 462 HE ARG 61 HE ARG 61 -0.901 -5.031 -7.234 463 HH11 ARG 61 1HH1 ARG 61 -0.357 -3.965 -3.955 464 HH12 ARG 61 2HH1 ARG 61 -0.869 -5.462 -3.251 465 HH21 ARG 61 1HH2 ARG 61 -1.573 -7.000 -6.310 466 HH22 ARG 61 2HH2 ARG 61 -1.559 -7.185 -4.588 467 H LEU 62 H LEU 62 -0.731 -2.268 -1.821 468 HA LEU 62 HA LEU 62 0.896 -0.266 -0.404 469 HB2 LEU 62 2HB LEU 62 -1.508 -1.164 0.488 470 HB3 LEU 62 1HB LEU 62 -0.433 -2.329 1.229 471 HG LEU 62 HG LEU 62 0.300 -0.859 2.769 472 HD11 LEU 62 1HD1 LEU 62 0.739 1.534 2.338 473 HD12 LEU 62 2HD1 LEU 62 0.212 1.295 0.671 474 HD13 LEU 62 3HD1 LEU 62 1.638 0.451 1.276 475 HD21 LEU 62 3HD2 LEU 62 -1.320 0.879 3.340 476 HD22 LEU 62 1HD2 LEU 62 -2.110 -0.642 2.920 477 HD23 LEU 62 2HD2 LEU 62 -2.072 0.684 1.756 478 H ILE 63 H ILE 63 2.945 -0.924 -0.545 479 HA ILE 63 HA ILE 63 3.590 -3.750 -0.714 480 HB ILE 63 HB ILE 63 5.392 -1.323 -0.774 481 HG12 ILE 63 2HG1 ILE 63 3.924 -1.418 -2.710 482 HG13 ILE 63 1HG1 ILE 63 5.565 -1.845 -3.192 483 HG21 ILE 63 1HG2 ILE 63 5.943 -4.254 -0.984 484 HG22 ILE 63 2HG2 ILE 63 6.815 -3.012 -0.086 485 HG23 ILE 63 3HG2 ILE 63 6.962 -3.097 -1.841 486 HD11 ILE 63 3HD1 ILE 63 4.456 -4.275 -2.573 487 HD12 ILE 63 1HD1 ILE 63 4.636 -3.597 -4.191 488 HD13 ILE 63 2HD1 ILE 63 3.117 -3.398 -3.316 489 H GLY 64 H GLY 64 4.339 -4.970 0.913 490 HA2 GLY 64 2HA GLY 64 4.623 -3.701 3.539 491 HA3 GLY 64 1HA GLY 64 4.412 -5.419 3.238 492 H LYS 65 H LYS 65 6.308 -4.607 5.024 493 HA LYS 65 HA LYS 65 8.866 -4.116 4.021 494 HB2 LYS 65 2HB LYS 65 7.783 -4.446 6.515 495 HB3 LYS 65 1HB LYS 65 8.776 -5.890 6.362 496 HG2 LYS 65 2HG LYS 65 10.052 -4.158 7.420 497 HG3 LYS 65 1HG LYS 65 10.711 -4.459 5.811 498 HD2 LYS 65 2HD LYS 65 9.536 -2.507 4.950 499 HD3 LYS 65 1HD LYS 65 8.820 -2.221 6.538 500 HE2 LYS 65 2HE LYS 65 11.756 -2.438 6.489 501 HE3 LYS 65 1HE LYS 65 11.088 -1.040 5.648 502 HZ1 LYS 65 3HZ LYS 65 9.845 -0.509 7.688 503 HZ2 LYS 65 1HZ LYS 65 11.520 -0.477 7.923 504 HZ3 LYS 65 2HZ LYS 65 10.613 -1.791 8.481 505 H VAL 66 H VAL 66 10.524 -5.395 3.303 506 HA VAL 66 HA VAL 66 9.871 -8.171 2.711 507 HB VAL 66 HB VAL 66 10.133 -6.680 0.781 508 HG11 VAL 66 1HG1 VAL 66 12.891 -6.332 0.588 509 HG12 VAL 66 2HG1 VAL 66 12.464 -5.825 2.223 510 HG13 VAL 66 3HG1 VAL 66 11.664 -5.088 0.833 511 HG21 VAL 66 3HG2 VAL 66 11.627 -9.126 1.253 512 HG22 VAL 66 1HG2 VAL 66 12.327 -8.139 -0.030 513 HG23 VAL 66 2HG2 VAL 66 10.642 -8.649 -0.129 514 H ASP 67 H ASP 67 12.917 -7.798 2.018 515 HA ASP 67 HA ASP 67 14.341 -7.781 4.413 516 HB2 ASP 67 2HB ASP 67 14.815 -10.177 4.708 517 HB3 ASP 67 1HB ASP 67 13.101 -9.834 4.919 518 H GLU 68 H GLU 68 16.476 -9.309 4.023 519 HA GLU 68 HA GLU 68 17.379 -9.632 1.385 520 HB2 GLU 68 2HB GLU 68 18.939 -7.733 1.216 521 HB3 GLU 68 1HB GLU 68 17.262 -7.206 1.255 522 HG2 GLU 68 2HG GLU 68 17.954 -5.755 2.795 523 HG3 GLU 68 1HG GLU 68 17.925 -7.134 3.894 524 H SER 69 H SER 69 17.485 -11.025 3.853 525 HA SER 69 HA SER 69 20.304 -11.617 3.924 526 HB2 SER 69 2HB SER 69 20.311 -9.836 5.547 527 HB3 SER 69 1HB SER 69 18.907 -10.514 6.370 528 HG SER 69 HG SER 69 21.566 -11.424 6.340 529 H LYS 70 H LYS 70 17.827 -12.968 3.224 530 HA LYS 70 HA LYS 70 18.260 -15.385 4.753 531 HB2 LYS 70 2HB LYS 70 15.601 -13.954 4.760 532 HB3 LYS 70 1HB LYS 70 15.784 -15.651 5.185 533 HG2 LYS 70 2HG LYS 70 17.118 -13.349 6.594 534 HG3 LYS 70 1HG LYS 70 15.685 -14.211 7.157 535 HD2 LYS 70 2HD LYS 70 17.004 -16.294 7.230 536 HD3 LYS 70 1HD LYS 70 18.435 -15.383 6.743 537 HE2 LYS 70 2HE LYS 70 18.629 -15.525 9.062 538 HE3 LYS 70 1HE LYS 70 17.956 -13.918 8.793 539 HZ1 LYS 70 3HZ LYS 70 16.513 -14.609 10.358 540 HZ2 LYS 70 1HZ LYS 70 16.746 -16.252 10.031 541 HZ3 LYS 70 2HZ LYS 70 15.728 -15.330 9.045 542 H LYS 71 H LYS 71 16.157 -13.805 2.357 543 HA LYS 71 HA LYS 71 15.407 -14.467 0.315 544 HB2 LYS 71 2HB LYS 71 17.995 -15.932 0.581 545 HB3 LYS 71 1HB LYS 71 16.933 -16.343 -0.759 546 HG2 LYS 71 2HG LYS 71 18.065 -14.720 -1.813 547 HG3 LYS 71 1HG LYS 71 16.944 -13.655 -0.962 548 HD2 LYS 71 2HD LYS 71 18.788 -13.853 0.934 549 HD3 LYS 71 1HD LYS 71 19.823 -14.187 -0.457 550 HE2 LYS 71 2HE LYS 71 18.632 -12.066 -1.444 551 HE3 LYS 71 1HE LYS 71 18.328 -11.706 0.254 552 HZ1 LYS 71 3HZ LYS 71 20.914 -12.308 0.336 553 HZ2 LYS 71 1HZ LYS 71 20.336 -10.736 0.091 554 HZ3 LYS 71 2HZ LYS 71 20.823 -11.674 -1.229 555 H ARG 72 H ARG 72 14.475 -16.321 -0.913 556 HA ARG 72 HA ARG 72 13.798 -18.598 0.813 557 HB2 ARG 72 2HB ARG 72 11.457 -18.462 0.164 558 HB3 ARG 72 1HB ARG 72 11.959 -16.965 0.937 559 HG2 ARG 72 2HG ARG 72 11.869 -15.760 -1.032 560 HG3 ARG 72 1HG ARG 72 12.022 -17.201 -2.039 561 HD2 ARG 72 2HD ARG 72 9.623 -16.616 -0.314 562 HD3 ARG 72 1HD ARG 72 9.741 -16.147 -2.010 563 HE ARG 72 HE ARG 72 10.232 -18.941 -1.548 564 HH11 ARG 72 1HH1 ARG 72 7.777 -16.523 -2.102 565 HH12 ARG 72 2HH1 ARG 72 6.630 -17.653 -2.738 566 HH21 ARG 72 1HH2 ARG 72 8.724 -20.429 -2.385 567 HH22 ARG 72 2HH2 ARG 72 7.167 -19.871 -2.899 568 H LYS 73 H LYS 73 12.259 -20.096 -0.726 569 HA LYS 73 HA LYS 73 13.839 -20.504 -3.179 570 HB2 LYS 73 2HB LYS 73 12.340 -22.634 -1.654 571 HB3 LYS 73 1HB LYS 73 13.497 -22.864 -2.958 572 HG2 LYS 73 2HG LYS 73 14.524 -21.427 -0.609 573 HG3 LYS 73 1HG LYS 73 14.084 -23.114 -0.339 574 HD2 LYS 73 2HD LYS 73 15.447 -23.562 -2.494 575 HD3 LYS 73 1HD LYS 73 16.139 -21.968 -2.193 576 HE2 LYS 73 2HE LYS 73 16.048 -23.851 0.090 577 HE3 LYS 73 1HE LYS 73 17.187 -24.220 -1.204 578 HZ1 LYS 73 3HZ LYS 73 18.382 -22.898 0.270 579 HZ2 LYS 73 1HZ LYS 73 17.093 -21.834 0.537 580 HZ3 LYS 73 2HZ LYS 73 17.919 -21.810 -0.939 581 H ASP 74 H ASP 74 12.544 -21.931 -4.799 582 HA ASP 74 HA ASP 74 9.983 -20.576 -5.207 583 HB2 ASP 74 2HB ASP 74 11.934 -20.775 -6.957 584 HB3 ASP 74 1HB ASP 74 11.238 -22.366 -7.253 585 H ASN 75 H ASN 75 10.464 -22.902 -3.361 586 HA ASN 75 HA ASN 75 9.169 -24.625 -2.612 587 HB2 ASN 75 2HB ASN 75 7.328 -23.311 -3.883 588 HB3 ASN 75 1HB ASN 75 7.514 -24.555 -5.115 589 HD21 ASN 75 1HD2 ASN 75 6.296 -23.778 -2.007 590 HD22 ASN 75 2HD2 ASN 75 5.527 -25.291 -1.684 591 H GLU 76 H GLU 76 11.101 -24.657 -5.272 592 HA GLU 76 HA GLU 76 10.742 -27.537 -5.720 593 HB2 GLU 76 2HB GLU 76 12.453 -25.922 -7.530 594 HB3 GLU 76 1HB GLU 76 11.406 -27.283 -7.901 595 HG2 GLU 76 2HG GLU 76 9.452 -25.840 -7.705 596 HG3 GLU 76 1HG GLU 76 10.498 -24.477 -7.307 597 H GLY 77 H GLY 77 12.982 -25.026 -4.873 598 HA2 GLY 77 2HA GLY 77 14.641 -26.048 -3.167 599 HA3 GLY 77 1HA GLY 77 15.144 -26.993 -4.560 600 H ASN 78 H ASN 78 14.396 -24.344 -6.097 601 HA ASN 78 HA ASN 78 17.084 -23.429 -6.300 602 HB2 ASN 78 2HB ASN 78 14.466 -22.623 -7.506 603 HB3 ASN 78 1HB ASN 78 15.844 -21.537 -7.651 604 HD21 ASN 78 1HD2 ASN 78 14.270 -24.208 -8.924 605 HD22 ASN 78 2HD2 ASN 78 15.504 -24.730 -10.029 606 H GLU 79 H GLU 79 17.715 -21.131 -6.047 607 HA GLU 79 HA GLU 79 16.576 -20.051 -3.563 608 HB2 GLU 79 2HB GLU 79 18.715 -18.945 -3.219 609 HB3 GLU 79 1HB GLU 79 18.959 -20.667 -3.479 610 HG2 GLU 79 2HG GLU 79 19.504 -20.160 -5.855 611 HG3 GLU 79 1HG GLU 79 19.428 -18.446 -5.450 612 H VAL 80 H VAL 80 15.650 -18.094 -3.522 613 HA VAL 80 HA VAL 80 16.207 -16.136 -5.589 614 HB VAL 80 HB VAL 80 13.892 -15.830 -6.261 615 HG11 VAL 80 1HG1 VAL 80 14.717 -18.716 -6.548 616 HG12 VAL 80 2HG1 VAL 80 15.303 -17.381 -7.540 617 HG13 VAL 80 3HG1 VAL 80 13.601 -17.837 -7.592 618 HG21 VAL 80 3HG2 VAL 80 12.361 -17.884 -5.581 619 HG22 VAL 80 1HG2 VAL 80 12.468 -16.433 -4.584 620 HG23 VAL 80 2HG2 VAL 80 13.400 -17.867 -4.156 621 H VAL 81 H VAL 81 14.361 -14.271 -5.171 622 HA VAL 81 HA VAL 81 14.673 -13.636 -2.319 623 HB VAL 81 HB VAL 81 14.067 -11.702 -4.554 624 HG11 VAL 81 1HG1 VAL 81 15.392 -10.858 -2.056 625 HG12 VAL 81 2HG1 VAL 81 13.698 -11.331 -1.921 626 HG13 VAL 81 3HG1 VAL 81 14.168 -10.040 -3.026 627 HG21 VAL 81 3HG2 VAL 81 16.591 -12.935 -3.722 628 HG22 VAL 81 1HG2 VAL 81 16.633 -11.174 -3.795 629 HG23 VAL 81 2HG2 VAL 81 16.172 -12.105 -5.220 630 HA PRO 82 HA PRO 82 10.254 -14.197 -1.981 631 HB2 PRO 82 2HB PRO 82 9.964 -13.203 0.525 632 HB3 PRO 82 1HB PRO 82 10.597 -14.819 0.191 633 HG2 PRO 82 2HG PRO 82 12.079 -12.292 0.786 634 HG3 PRO 82 1HG PRO 82 12.354 -13.923 1.422 635 HD2 PRO 82 2HD PRO 82 13.859 -12.893 -0.559 636 HD3 PRO 82 1HD PRO 82 13.448 -14.619 -0.494 637 H LYS 83 H LYS 83 8.804 -12.919 -2.919 638 HA LYS 83 HA LYS 83 9.126 -10.163 -3.313 639 HB2 LYS 83 2HB LYS 83 6.751 -11.995 -3.553 640 HB3 LYS 83 1HB LYS 83 6.620 -10.273 -3.886 641 HG2 LYS 83 2HG LYS 83 7.534 -10.501 -5.897 642 HG3 LYS 83 1HG LYS 83 8.869 -11.465 -5.264 643 HD2 LYS 83 2HD LYS 83 7.876 -13.023 -6.609 644 HD3 LYS 83 1HD LYS 83 6.987 -13.317 -5.113 645 HE2 LYS 83 2HE LYS 83 5.240 -13.160 -6.576 646 HE3 LYS 83 1HE LYS 83 5.391 -11.467 -6.107 647 HZ1 LYS 83 3HZ LYS 83 6.302 -12.764 -8.604 648 HZ2 LYS 83 1HZ LYS 83 6.905 -11.260 -8.114 649 HZ3 LYS 83 2HZ LYS 83 5.253 -11.448 -8.423 650 HA PRO 84 HA PRO 84 7.636 -8.402 0.447 651 HB2 PRO 84 2HB PRO 84 6.813 -5.988 -0.379 652 HB3 PRO 84 1HB PRO 84 8.523 -6.438 -0.365 653 HG2 PRO 84 2HG PRO 84 6.587 -6.433 -2.645 654 HG3 PRO 84 1HG PRO 84 8.252 -5.827 -2.595 655 HD2 PRO 84 2HD PRO 84 7.597 -8.247 -3.640 656 HD3 PRO 84 1HD PRO 84 9.158 -7.929 -2.855 657 H GLN 85 H GLN 85 5.837 -8.957 1.507 658 HA GLN 85 HA GLN 85 3.400 -9.604 0.321 659 HB2 GLN 85 2HB GLN 85 3.827 -8.677 3.167 660 HB3 GLN 85 1HB GLN 85 2.474 -9.628 2.569 661 HG2 GLN 85 2HG GLN 85 3.670 -11.348 3.360 662 HG3 GLN 85 1HG GLN 85 4.522 -11.204 1.823 663 HE21 GLN 85 1HE2 GLN 85 6.615 -11.407 2.087 664 HE22 GLN 85 2HE2 GLN 85 7.551 -10.769 3.402 665 H ARG 86 H ARG 86 2.044 -8.311 -0.717 666 HA ARG 86 HA ARG 86 1.557 -5.621 0.374 667 HB2 ARG 86 2HB ARG 86 1.326 -4.775 -1.925 668 HB3 ARG 86 1HB ARG 86 2.940 -5.399 -1.615 669 HG2 ARG 86 2HG ARG 86 2.144 -7.560 -2.689 670 HG3 ARG 86 1HG ARG 86 0.744 -6.639 -3.241 671 HD2 ARG 86 2HD ARG 86 2.130 -5.146 -4.488 672 HD3 ARG 86 1HD ARG 86 3.595 -5.826 -3.779 673 HE ARG 86 HE ARG 86 2.339 -7.923 -5.040 674 HH11 ARG 86 1HH1 ARG 86 3.606 -4.813 -5.989 675 HH12 ARG 86 2HH1 ARG 86 3.997 -5.323 -7.596 676 HH21 ARG 86 1HH2 ARG 86 2.854 -8.596 -7.154 677 HH22 ARG 86 2HH2 ARG 86 3.570 -7.470 -8.259 678 H HIS 87 H HIS 87 -0.512 -4.665 -0.458 679 HA HIS 87 HA HIS 87 -2.560 -6.740 -0.869 680 HB2 HIS 87 2HB HIS 87 -3.096 -4.263 0.752 681 HB3 HIS 87 1HB HIS 87 -4.004 -5.770 0.712 682 HD1 HIS 87 1HD HIS 87 -2.693 -7.880 1.831 683 HD2 HIS 87 2HD HIS 87 -1.314 -4.081 2.794 684 HE1 HIS 87 1HE HIS 87 -1.304 -8.177 3.906 685 HE2 HIS 87 2HE HIS 87 -0.550 -5.852 4.518 686 H MET 88 H MET 88 -3.935 -6.368 -2.501 687 HA MET 88 HA MET 88 -3.594 -3.938 -4.049 688 HB2 MET 88 2HB MET 88 -3.684 -6.223 -5.092 689 HB3 MET 88 1HB MET 88 -5.383 -6.298 -4.642 690 HG2 MET 88 2HG MET 88 -6.017 -4.969 -6.323 691 HG3 MET 88 1HG MET 88 -4.642 -3.884 -6.116 692 HE1 MET 88 3HE MET 88 -3.838 -3.912 -9.252 693 HE2 MET 88 1HE MET 88 -2.309 -4.446 -8.552 694 HE3 MET 88 2HE MET 88 -3.381 -3.392 -7.630 695 H PHE 89 H PHE 89 -4.717 -2.208 -3.462 696 HA PHE 89 HA PHE 89 -7.486 -2.571 -2.527 697 HB2 PHE 89 2HB PHE 89 -5.596 -0.252 -2.068 698 HB3 PHE 89 1HB PHE 89 -7.250 -0.350 -1.475 699 HD1 PHE 89 2HD PHE 89 -7.619 -2.831 -0.277 700 HD2 PHE 89 1HD PHE 89 -4.038 -0.536 -0.424 701 HE1 PHE 89 2HE PHE 89 -6.823 -3.951 1.764 702 HE2 PHE 89 1HE PHE 89 -3.236 -1.651 1.616 703 HZ PHE 89 HZ PHE 89 -4.627 -3.361 2.714 704 H SER 90 H SER 90 -9.114 -1.758 -3.701 705 HA SER 90 HA SER 90 -8.415 -0.054 -5.999 706 HB2 SER 90 2HB SER 90 -10.046 -1.099 -7.283 707 HB3 SER 90 1HB SER 90 -9.461 -2.439 -6.297 708 HG SER 90 HG SER 90 -11.927 -1.496 -6.469 709 H PHE 91 H PHE 91 -9.124 1.963 -5.963 710 HA PHE 91 HA PHE 91 -11.219 2.686 -4.044 711 HB2 PHE 91 2HB PHE 91 -9.085 4.297 -5.440 712 HB3 PHE 91 1HB PHE 91 -10.396 5.046 -4.538 713 HD1 PHE 91 2HD PHE 91 -8.027 2.211 -3.991 714 HD2 PHE 91 1HD PHE 91 -9.798 5.756 -2.442 715 HE1 PHE 91 2HE PHE 91 -6.742 1.940 -1.912 716 HE2 PHE 91 1HE PHE 91 -8.516 5.491 -0.360 717 HZ PHE 91 HZ PHE 91 -6.986 3.580 -0.094 718 H ASN 92 H ASN 92 -12.808 4.347 -4.711 719 HA ASN 92 HA ASN 92 -13.384 4.299 -7.590 720 HB2 ASN 92 2HB ASN 92 -15.124 3.350 -5.358 721 HB3 ASN 92 1HB ASN 92 -15.884 4.134 -6.741 722 HD21 ASN 92 1HD2 ASN 92 -15.824 1.314 -5.698 723 HD22 ASN 92 2HD2 ASN 92 -15.398 0.358 -7.072 724 H ASN 93 H ASN 93 -12.216 6.469 -6.507 725 HA ASN 93 HA ASN 93 -13.972 8.545 -7.143 726 HB2 ASN 93 2HB ASN 93 -14.375 7.623 -4.514 727 HB3 ASN 93 1HB ASN 93 -13.486 9.135 -4.358 728 HD21 ASN 93 1HD2 ASN 93 -14.900 10.640 -3.847 729 HD22 ASN 93 2HD2 ASN 93 -16.413 10.928 -4.650 730 H ARG 94 H ARG 94 -13.000 10.661 -6.936 731 HA ARG 94 HA ARG 94 -10.159 10.553 -7.279 732 HB2 ARG 94 2HB ARG 94 -10.414 13.061 -7.539 733 HB3 ARG 94 1HB ARG 94 -11.312 12.071 -8.681 734 HG2 ARG 94 2HG ARG 94 -13.359 12.527 -7.645 735 HG3 ARG 94 1HG ARG 94 -12.580 13.121 -6.176 736 HD2 ARG 94 2HD ARG 94 -11.548 14.872 -7.872 737 HD3 ARG 94 1HD ARG 94 -12.996 14.470 -8.794 738 HE ARG 94 HE ARG 94 -13.567 15.081 -6.059 739 HH11 ARG 94 1HH1 ARG 94 -12.951 16.484 -9.194 740 HH12 ARG 94 2HH1 ARG 94 -13.808 17.948 -8.847 741 HH21 ARG 94 1HH2 ARG 94 -14.695 17.006 -5.600 742 HH22 ARG 94 2HH2 ARG 94 -14.797 18.245 -6.806 743 H THR 95 H THR 95 -12.349 11.689 -4.770 744 HA THR 95 HA THR 95 -10.271 12.897 -3.211 745 HB THR 95 HB THR 95 -13.158 12.670 -3.108 746 HG1 THR 95 1HG THR 95 -12.713 14.701 -3.161 747 HG21 THR 95 3HG2 THR 95 -13.024 11.513 -1.084 748 HG22 THR 95 1HG2 THR 95 -13.222 13.207 -0.633 749 HG23 THR 95 2HG2 THR 95 -11.630 12.451 -0.549 750 H VAL 96 H VAL 96 -12.142 9.895 -3.037 751 HA VAL 96 HA VAL 96 -11.105 8.923 -0.633 752 HB VAL 96 HB VAL 96 -13.049 7.928 -1.783 753 HG11 VAL 96 1HG1 VAL 96 -11.132 6.512 -3.601 754 HG12 VAL 96 2HG1 VAL 96 -11.895 8.031 -4.060 755 HG13 VAL 96 3HG1 VAL 96 -12.889 6.615 -3.711 756 HG21 VAL 96 3HG2 VAL 96 -12.008 5.450 -1.614 757 HG22 VAL 96 1HG2 VAL 96 -12.447 6.424 -0.211 758 HG23 VAL 96 2HG2 VAL 96 -10.770 6.365 -0.753 759 H MET 97 H MET 97 -9.954 8.475 -3.961 760 HA MET 97 HA MET 97 -7.786 6.788 -3.281 761 HB2 MET 97 2HB MET 97 -6.950 7.300 -5.544 762 HB3 MET 97 1HB MET 97 -8.648 6.848 -5.549 763 HG2 MET 97 2HG MET 97 -8.718 8.637 -6.942 764 HG3 MET 97 1HG MET 97 -8.999 9.447 -5.402 765 HE1 MET 97 3HE MET 97 -6.344 7.916 -7.438 766 HE2 MET 97 1HE MET 97 -4.929 8.547 -6.597 767 HE3 MET 97 2HE MET 97 -5.462 9.290 -8.106 768 H ASP 98 H ASP 98 -8.175 10.230 -3.564 769 HA ASP 98 HA ASP 98 -5.399 10.862 -3.317 770 HB2 ASP 98 2HB ASP 98 -7.950 12.391 -3.373 771 HB3 ASP 98 1HB ASP 98 -6.559 13.174 -2.628 772 H ASN 99 H ASN 99 -7.998 10.247 -1.097 773 HA ASN 99 HA ASN 99 -6.973 11.533 1.183 774 HB2 ASN 99 2HB ASN 99 -8.945 9.361 0.675 775 HB3 ASN 99 1HB ASN 99 -8.324 9.526 2.314 776 HD21 ASN 99 1HD2 ASN 99 -10.969 9.885 1.808 777 HD22 ASN 99 2HD2 ASN 99 -11.386 11.561 1.999 778 H ILE 100 H ILE 100 -6.956 8.018 0.553 779 HA ILE 100 HA ILE 100 -5.093 7.371 2.522 780 HB ILE 100 HB ILE 100 -6.135 6.001 0.100 781 HG12 ILE 100 2HG1 ILE 100 -6.737 4.293 1.714 782 HG13 ILE 100 1HG1 ILE 100 -5.771 5.079 2.958 783 HG21 ILE 100 1HG2 ILE 100 -4.615 4.054 0.522 784 HG22 ILE 100 2HG2 ILE 100 -3.629 5.122 1.521 785 HG23 ILE 100 3HG2 ILE 100 -3.832 5.461 -0.197 786 HD11 ILE 100 3HD1 ILE 100 -8.418 5.373 2.717 787 HD12 ILE 100 1HD1 ILE 100 -7.876 6.727 1.726 788 HD13 ILE 100 2HD1 ILE 100 -7.359 6.603 3.409 789 H LYS 101 H LYS 101 -4.611 8.136 -0.902 790 HA LYS 101 HA LYS 101 -1.976 7.568 -1.275 791 HB2 LYS 101 2HB LYS 101 -3.466 8.514 -2.999 792 HB3 LYS 101 1HB LYS 101 -3.367 10.082 -2.210 793 HG2 LYS 101 2HG LYS 101 -0.798 8.829 -2.935 794 HG3 LYS 101 1HG LYS 101 -1.821 9.358 -4.273 795 HD2 LYS 101 2HD LYS 101 -1.496 11.255 -2.029 796 HD3 LYS 101 1HD LYS 101 -0.069 10.967 -3.028 797 HE2 LYS 101 2HE LYS 101 -1.693 11.352 -5.013 798 HE3 LYS 101 1HE LYS 101 -2.726 12.111 -3.802 799 HZ1 LYS 101 3HZ LYS 101 -1.085 13.569 -5.092 800 HZ2 LYS 101 1HZ LYS 101 0.102 12.906 -4.083 801 HZ3 LYS 101 2HZ LYS 101 -1.185 13.779 -3.417 802 H MET 102 H MET 102 -3.166 10.710 -0.063 803 HA MET 102 HA MET 102 -0.499 11.470 0.730 804 HB2 MET 102 2HB MET 102 -1.480 13.586 1.378 805 HB3 MET 102 1HB MET 102 -2.064 13.125 -0.214 806 HG2 MET 102 2HG MET 102 -4.086 12.155 1.028 807 HG3 MET 102 1HG MET 102 -3.525 13.114 2.397 808 HE1 MET 102 3HE MET 102 -5.119 14.263 -1.606 809 HE2 MET 102 1HE MET 102 -3.756 13.193 -1.276 810 HE3 MET 102 2HE MET 102 -3.481 14.913 -1.544 811 H THR 103 H THR 103 -3.507 10.604 2.306 812 HA THR 103 HA THR 103 -2.859 11.145 4.939 813 HB THR 103 HB THR 103 -4.555 8.906 3.819 814 HG1 THR 103 1HG THR 103 -6.229 10.319 4.193 815 HG21 THR 103 3HG2 THR 103 -3.855 8.508 6.196 816 HG22 THR 103 1HG2 THR 103 -5.592 8.641 5.923 817 HG23 THR 103 2HG2 THR 103 -4.701 9.998 6.613 818 H LEU 104 H LEU 104 -2.620 7.888 3.456 819 HA LEU 104 HA LEU 104 -1.260 6.671 5.521 820 HB2 LEU 104 2HB LEU 104 -1.476 6.201 2.609 821 HB3 LEU 104 1HB LEU 104 -0.110 5.440 3.403 822 HG LEU 104 HG LEU 104 -1.744 4.422 5.031 823 HD11 LEU 104 1HD1 LEU 104 -3.590 5.957 3.337 824 HD12 LEU 104 2HD1 LEU 104 -3.755 5.423 5.009 825 HD13 LEU 104 3HD1 LEU 104 -4.085 4.301 3.690 826 HD21 LEU 104 3HD2 LEU 104 -2.250 3.640 2.170 827 HD22 LEU 104 1HD2 LEU 104 -2.286 2.609 3.600 828 HD23 LEU 104 2HD2 LEU 104 -0.754 3.267 3.026 829 H GLN 105 H GLN 105 0.037 8.556 2.834 830 HA GLN 105 HA GLN 105 2.748 8.245 3.221 831 HB2 GLN 105 2HB GLN 105 1.067 9.956 1.739 832 HB3 GLN 105 1HB GLN 105 2.183 10.998 2.612 833 HG2 GLN 105 2HG GLN 105 4.069 9.764 1.683 834 HG3 GLN 105 1HG GLN 105 2.953 8.708 0.818 835 HE21 GLN 105 1HE2 GLN 105 1.230 10.119 -0.423 836 HE22 GLN 105 2HE2 GLN 105 1.927 11.344 -1.438 837 H GLN 106 H GLN 106 0.526 10.414 4.897 838 HA GLN 106 HA GLN 106 2.392 11.884 6.357 839 HB2 GLN 106 2HB GLN 106 -0.471 11.177 6.743 840 HB3 GLN 106 1HB GLN 106 0.396 11.812 8.129 841 HG2 GLN 106 2HG GLN 106 -0.915 13.369 6.456 842 HG3 GLN 106 1HG GLN 106 0.567 13.891 7.250 843 HE21 GLN 106 1HE2 GLN 106 2.515 13.894 6.042 844 HE22 GLN 106 2HE2 GLN 106 2.485 13.990 4.308 845 H ILE 107 H ILE 107 1.196 8.668 6.767 846 HA ILE 107 HA ILE 107 2.418 8.315 9.376 847 HB ILE 107 HB ILE 107 1.031 6.361 7.530 848 HG12 ILE 107 2HG1 ILE 107 -0.384 6.555 9.907 849 HG13 ILE 107 1HG1 ILE 107 0.130 8.211 9.602 850 HG21 ILE 107 1HG2 ILE 107 2.089 5.941 10.320 851 HG22 ILE 107 2HG2 ILE 107 2.685 5.189 8.841 852 HG23 ILE 107 3HG2 ILE 107 1.069 4.806 9.436 853 HD11 ILE 107 3HD1 ILE 107 -1.622 6.449 7.942 854 HD12 ILE 107 1HD1 ILE 107 -0.796 7.839 7.238 855 HD13 ILE 107 2HD1 ILE 107 -1.934 8.069 8.565 856 H ILE 108 H ILE 108 2.948 7.479 6.020 857 HA ILE 108 HA ILE 108 5.088 5.698 6.246 858 HB ILE 108 HB ILE 108 4.693 7.781 4.093 859 HG12 ILE 108 2HG1 ILE 108 3.466 5.058 4.478 860 HG13 ILE 108 1HG1 ILE 108 2.654 6.601 4.264 861 HG21 ILE 108 1HG2 ILE 108 6.888 6.569 4.169 862 HG22 ILE 108 2HG2 ILE 108 5.970 6.397 2.673 863 HG23 ILE 108 3HG2 ILE 108 5.991 5.083 3.850 864 HD11 ILE 108 3HD1 ILE 108 2.378 5.800 2.176 865 HD12 ILE 108 1HD1 ILE 108 3.813 4.778 2.261 866 HD13 ILE 108 2HD1 ILE 108 3.979 6.507 1.954 867 H SER 109 H SER 109 5.217 9.159 5.487 868 HA SER 109 HA SER 109 7.967 9.493 5.774 869 HB2 SER 109 2HB SER 109 6.335 11.139 4.763 870 HB3 SER 109 1HB SER 109 5.907 11.611 6.408 871 HG SER 109 HG SER 109 7.896 12.447 6.701 872 H ARG 110 H ARG 110 5.501 9.200 8.161 873 HA ARG 110 HA ARG 110 6.568 10.482 10.358 874 HB2 ARG 110 2HB ARG 110 4.441 8.803 9.895 875 HB3 ARG 110 1HB ARG 110 5.444 7.844 10.975 876 HG2 ARG 110 2HG ARG 110 5.466 9.743 12.561 877 HG3 ARG 110 1HG ARG 110 4.355 10.599 11.490 878 HD2 ARG 110 2HD ARG 110 2.592 9.432 12.218 879 HD3 ARG 110 1HD ARG 110 3.459 7.900 12.113 880 HE ARG 110 HE ARG 110 4.504 9.059 14.326 881 HH11 ARG 110 1HH1 ARG 110 1.241 8.387 13.286 882 HH12 ARG 110 2HH1 ARG 110 0.635 8.189 14.895 883 HH21 ARG 110 1HH2 ARG 110 3.710 8.798 16.444 884 HH22 ARG 110 2HH2 ARG 110 2.036 8.422 16.689 885 H TYR 111 H TYR 111 7.645 7.591 8.778 886 HA TYR 111 HA TYR 111 9.396 6.848 10.982 887 HB2 TYR 111 2HB TYR 111 9.368 5.517 8.286 888 HB3 TYR 111 1HB TYR 111 9.776 4.827 9.854 889 HD1 TYR 111 1HD TYR 111 7.746 4.913 11.600 890 HD2 TYR 111 2HD TYR 111 7.340 4.924 7.365 891 HE1 TYR 111 1HE TYR 111 5.451 4.062 11.825 892 HE2 TYR 111 2HE TYR 111 5.040 4.073 7.577 893 HH TYR 111 HH TYR 111 3.380 4.000 10.553 894 H LYS 112 H LYS 112 9.526 8.332 7.822 895 HA LYS 112 HA LYS 112 12.367 8.202 7.545 896 HB2 LYS 112 2HB LYS 112 10.581 10.200 6.172 897 HB3 LYS 112 1HB LYS 112 12.093 9.511 5.597 898 HG2 LYS 112 2HG LYS 112 10.946 7.299 5.460 899 HG3 LYS 112 1HG LYS 112 9.434 8.127 5.839 900 HD2 LYS 112 2HD LYS 112 9.243 8.331 3.610 901 HD3 LYS 112 1HD LYS 112 10.389 9.659 3.804 902 HE2 LYS 112 2HE LYS 112 12.076 7.546 3.661 903 HE3 LYS 112 1HE LYS 112 10.761 6.987 2.627 904 HZ1 LYS 112 3HZ LYS 112 11.012 8.845 1.222 905 HZ2 LYS 112 1HZ LYS 112 12.579 8.268 1.496 906 HZ3 LYS 112 2HZ LYS 112 12.029 9.646 2.309 907 H ASP 113 H ASP 113 10.194 10.981 8.093 908 HA ASP 113 HA ASP 113 12.214 12.805 8.744 909 HB2 ASP 113 2HB ASP 113 9.265 12.691 9.103 910 HB3 ASP 113 1HB ASP 113 10.147 13.863 10.078 911 H ALA 114 H ALA 114 10.351 10.591 10.756 912 HA ALA 114 HA ALA 114 11.604 11.557 13.188 913 HB1 ALA 114 1HB ALA 114 9.996 9.067 13.194 914 HB2 ALA 114 2HB ALA 114 9.167 10.570 12.789 915 HB3 ALA 114 3HB ALA 114 10.007 10.415 14.332 916 H ASP 115 H ASP 115 11.244 8.270 11.850 917 HA ASP 115 HA ASP 115 12.582 6.430 12.009 918 HB2 ASP 115 2HB ASP 115 13.749 8.113 10.369 919 HB3 ASP 115 1HB ASP 115 14.961 8.210 11.643 920 H TYR 90 1HT TYR 90 0.305 -3.591 -21.021 921 HA TYR 90 HA TYR 90 1.214 -3.868 -18.877 922 HB2 TYR 90 2HB TYR 90 1.610 -1.237 -20.282 923 HB3 TYR 90 1HB TYR 90 2.564 -1.652 -18.862 924 HD1 TYR 90 1HD TYR 90 3.316 -4.361 -19.126 925 HD2 TYR 90 2HD TYR 90 2.837 -1.474 -22.214 926 HE1 TYR 90 1HE TYR 90 4.878 -5.626 -20.543 927 HE2 TYR 90 2HE TYR 90 4.397 -2.731 -23.639 928 HH TYR 90 HH TYR 90 5.192 -5.140 -23.821 929 H ASP 91 H ASP 91 0.501 -3.871 -16.851 930 HA ASP 91 HA ASP 91 -1.317 -1.889 -15.862 931 HB2 ASP 91 2HB ASP 91 0.017 -4.305 -14.668 932 HB3 ASP 91 1HB ASP 91 -0.881 -3.181 -13.653 933 H SER 92 H SER 92 2.115 -2.514 -15.599 934 HA SER 92 HA SER 92 2.674 -0.838 -13.407 935 HB2 SER 92 2HB SER 92 5.008 -0.869 -14.246 936 HB3 SER 92 1HB SER 92 4.293 -2.480 -14.200 937 HG SER 92 HG SER 92 5.254 -2.302 -16.169 938 H GLU 93 H GLU 93 2.211 -0.199 -16.811 939 HA GLU 93 HA GLU 93 3.321 2.404 -16.861 940 HB2 GLU 93 2HB GLU 93 2.905 1.079 -18.895 941 HB3 GLU 93 1HB GLU 93 1.172 1.208 -18.621 942 HG2 GLU 93 2HG GLU 93 2.634 3.757 -18.729 943 HG3 GLU 93 1HG GLU 93 2.574 2.841 -20.233 944 H GLU 94 H GLU 94 0.180 1.146 -15.981 945 HA GLU 94 HA GLU 94 -0.957 3.818 -15.767 946 HB2 GLU 94 2HB GLU 94 -3.033 2.623 -15.127 947 HB3 GLU 94 1HB GLU 94 -2.394 2.101 -16.680 948 HG2 GLU 94 2HG GLU 94 -1.497 0.099 -15.692 949 HG3 GLU 94 1HG GLU 94 -1.972 0.641 -14.083 950 H PHE 95 H PHE 95 0.002 1.124 -13.695 951 HA PHE 95 HA PHE 95 -0.725 2.593 -11.295 952 HB2 PHE 95 2HB PHE 95 -0.617 -0.098 -11.908 953 HB3 PHE 95 1HB PHE 95 0.820 0.137 -10.917 954 HD1 PHE 95 2HD PHE 95 0.085 2.028 -8.923 955 HD2 PHE 95 1HD PHE 95 -2.277 -1.060 -10.656 956 HE1 PHE 95 2HE PHE 95 -1.304 1.956 -6.894 957 HE2 PHE 95 1HE PHE 95 -3.670 -1.138 -8.629 958 HZ PHE 95 HZ PHE 95 -3.183 0.372 -6.744 959 H GLU 96 H GLU 96 0.656 3.628 -9.963 960 HA GLU 96 HA GLU 96 3.540 3.330 -10.412 961 HB2 GLU 96 2HB GLU 96 3.793 5.809 -10.220 962 HB3 GLU 96 1HB GLU 96 2.974 5.284 -11.684 963 HG2 GLU 96 2HG GLU 96 1.071 6.327 -11.145 964 HG3 GLU 96 1HG GLU 96 1.181 5.865 -9.447 965 H ASP 97 H ASP 97 4.821 4.382 -8.636 966 HA ASP 97 HA ASP 97 3.534 3.778 -6.082 967 HB2 ASP 97 2HB ASP 97 6.436 4.154 -6.839 968 HB3 ASP 97 1HB ASP 97 5.882 3.866 -5.192 969 H VAL 98 H VAL 98 4.033 5.173 -4.209 970 HA VAL 98 HA VAL 98 4.426 7.992 -4.944 971 HB VAL 98 HB VAL 98 2.021 7.641 -4.702 972 HG11 VAL 98 1HG1 VAL 98 2.023 7.147 -1.831 973 HG12 VAL 98 2HG1 VAL 98 2.695 5.811 -2.766 974 HG13 VAL 98 3HG1 VAL 98 1.068 6.397 -3.111 975 HG21 VAL 98 3HG2 VAL 98 2.697 9.067 -2.187 976 HG22 VAL 98 1HG2 VAL 98 1.643 9.551 -3.515 977 HG23 VAL 98 2HG2 VAL 98 3.394 9.673 -3.689 978 H THR 99 H THR 99 6.292 8.489 -3.979 979 HA THR 99 HA THR 99 6.481 8.175 -1.090 980 HB THR 99 HB THR 99 8.908 7.424 -2.661 981 HG1 THR 99 1HG THR 99 8.167 5.529 -3.184 982 HG21 THR 99 3HG2 THR 99 7.838 6.367 -0.058 983 HG22 THR 99 1HG2 THR 99 9.016 7.671 -0.206 984 HG23 THR 99 2HG2 THR 99 9.420 6.050 -0.770 985 H ASP 100 H ASP 100 6.541 10.306 -0.644 986 HA ASP 100 HA ASP 100 8.088 12.148 -2.235 987 HB2 ASP 100 2HB ASP 100 5.848 12.553 -0.916 988 HB3 ASP 100 1HB ASP 100 6.936 12.871 0.433 989 H GLY 101 H GLY 101 10.246 11.912 -2.059 990 HA2 GLY 101 2HA GLY 101 11.397 11.671 0.642 991 HA3 GLY 101 1HA GLY 101 12.204 11.198 -0.846 992 H ASN 102 H ASN 102 14.016 12.459 -0.151 993 HA ASN 102 HA ASN 102 13.616 15.352 -0.555 994 HB2 ASN 102 2HB ASN 102 14.416 14.306 1.780 995 HB3 ASN 102 1HB ASN 102 15.982 14.412 0.981 996 HD21 ASN 102 1HD2 ASN 102 15.413 15.855 3.247 997 HD22 ASN 102 2HD2 ASN 102 15.344 17.537 2.855 998 H GLU 103 H GLU 103 14.257 15.722 -2.589 999 HA GLU 103 HA GLU 103 16.483 14.283 -3.751 1000 HB2 GLU 103 2HB GLU 103 15.972 15.622 -5.774 1001 HB3 GLU 103 1HB GLU 103 14.578 14.740 -5.164 1002 HG2 GLU 103 2HG GLU 103 13.646 16.725 -4.222 1003 HG3 GLU 103 1HG GLU 103 15.110 17.642 -4.579 1004 H VAL 104 H VAL 104 18.287 15.406 -4.781 1005 HA VAL 104 HA VAL 104 18.976 17.957 -3.489 1006 HB VAL 104 HB VAL 104 20.140 16.155 -2.295 1007 HG11 VAL 104 1HG1 VAL 104 20.222 14.731 -4.478 1008 HG12 VAL 104 2HG1 VAL 104 21.510 14.583 -3.281 1009 HG13 VAL 104 3HG1 VAL 104 21.761 15.555 -4.731 1010 HG21 VAL 104 3HG2 VAL 104 21.192 18.375 -2.573 1011 HG22 VAL 104 1HG2 VAL 104 22.035 17.769 -3.999 1012 HG23 VAL 104 2HG2 VAL 104 22.371 17.073 -2.414
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