NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585246 | 2ruc | 11559 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -21.268 -18.193 -0.955 2 H2 GLY 1 2HT GLY 1 -21.579 -16.694 -0.255 3 H3 GLY 1 3HT GLY 1 -22.864 -17.680 -0.730 4 HA2 GLY 1 1HA GLY 1 -22.620 -17.782 1.646 5 HA3 GLY 1 2HA GLY 1 -22.218 -19.333 0.920 6 H SER 2 H SER 2 -21.020 -19.753 2.882 7 HA SER 2 HA SER 2 -18.686 -18.146 3.379 8 HB2 SER 2 2HB SER 2 -19.968 -19.226 5.233 9 HB3 SER 2 1HB SER 2 -19.461 -20.799 4.619 10 HG SER 2 HG SER 2 -17.979 -18.816 5.918 11 H HIS 3 H HIS 3 -17.154 -18.282 1.884 12 HA HIS 3 HA HIS 3 -16.511 -20.827 0.644 13 HB2 HIS 3 2HB HIS 3 -16.573 -18.717 -0.705 14 HB3 HIS 3 1HB HIS 3 -15.222 -18.110 0.244 15 HD1 HIS 3 1HD HIS 3 -16.070 -20.629 -2.416 16 HD2 HIS 3 2HD HIS 3 -12.716 -19.124 -0.472 17 HE1 HIS 3 1HE HIS 3 -14.098 -21.497 -3.698 18 HE2 HIS 3 2HE HIS 3 -12.101 -20.412 -2.631 19 H MET 4 H MET 4 -14.607 -21.935 0.959 20 HA MET 4 HA MET 4 -13.381 -21.923 3.426 21 HB2 MET 4 2HB MET 4 -13.191 -23.820 1.951 22 HB3 MET 4 1HB MET 4 -12.301 -22.870 0.772 23 HG2 MET 4 2HG MET 4 -10.851 -24.378 2.049 24 HG3 MET 4 1HG MET 4 -10.421 -22.685 2.273 25 HE1 MET 4 3HE MET 4 -12.722 -25.184 5.402 26 HE2 MET 4 1HE MET 4 -12.186 -25.816 3.847 27 HE3 MET 4 2HE MET 4 -13.458 -24.596 3.914 28 H GLU 5 H GLU 5 -11.983 -20.675 4.392 29 HA GLU 5 HA GLU 5 -10.988 -18.308 3.268 30 HB2 GLU 5 2HB GLU 5 -11.389 -18.556 5.656 31 HB3 GLU 5 1HB GLU 5 -10.160 -19.805 5.756 32 HG2 GLU 5 2HG GLU 5 -8.459 -18.146 5.128 33 HG3 GLU 5 1HG GLU 5 -9.710 -16.902 5.114 34 HA PRO 6 HA PRO 6 -7.480 -20.045 1.119 35 HB2 PRO 6 2HB PRO 6 -6.350 -17.666 0.410 36 HB3 PRO 6 1HB PRO 6 -7.731 -18.368 -0.438 37 HG2 PRO 6 2HG PRO 6 -7.676 -16.223 1.642 38 HG3 PRO 6 1HG PRO 6 -8.643 -16.321 0.159 39 HD2 PRO 6 2HD PRO 6 -9.649 -16.907 2.599 40 HD3 PRO 6 1HD PRO 6 -10.203 -17.718 1.119 41 H ALA 7 H ALA 7 -5.473 -20.575 1.749 42 HA ALA 7 HA ALA 7 -4.567 -19.852 4.340 43 HB1 ALA 7 1HB ALA 7 -3.085 -21.283 2.136 44 HB2 ALA 7 2HB ALA 7 -4.133 -22.053 3.324 45 HB3 ALA 7 3HB ALA 7 -2.646 -21.259 3.843 46 H ARG 8 H ARG 8 -3.706 -18.920 1.071 47 HA ARG 8 HA ARG 8 -2.047 -16.778 2.191 48 HB2 ARG 8 2HB ARG 8 -1.369 -18.536 -0.164 49 HB3 ARG 8 1HB ARG 8 -0.504 -17.066 0.262 50 HG2 ARG 8 2HG ARG 8 0.213 -18.020 2.338 51 HG3 ARG 8 1HG ARG 8 -0.780 -19.453 2.066 52 HD2 ARG 8 2HD ARG 8 0.556 -20.047 0.137 53 HD3 ARG 8 1HD ARG 8 1.507 -18.572 0.313 54 HE ARG 8 HE ARG 8 1.968 -19.635 2.650 55 HH11 ARG 8 1HH1 ARG 8 1.782 -21.321 -0.429 56 HH12 ARG 8 2HH1 ARG 8 2.933 -22.526 0.025 57 HH21 ARG 8 1HH2 ARG 8 3.482 -21.243 3.254 58 HH22 ARG 8 2HH2 ARG 8 3.903 -22.485 2.130 59 H VAL 9 H VAL 9 -2.409 -14.841 1.386 60 HA VAL 9 HA VAL 9 -3.982 -14.602 -1.095 61 HB VAL 9 HB VAL 9 -5.000 -12.555 -0.209 62 HG11 VAL 9 1HG1 VAL 9 -6.450 -13.540 1.505 63 HG12 VAL 9 2HG1 VAL 9 -5.326 -14.889 1.669 64 HG13 VAL 9 3HG1 VAL 9 -6.189 -14.639 0.151 65 HG21 VAL 9 3HG2 VAL 9 -3.522 -13.181 2.349 66 HG22 VAL 9 1HG2 VAL 9 -4.724 -11.907 2.144 67 HG23 VAL 9 2HG2 VAL 9 -3.197 -11.828 1.265 68 H ARG 10 H ARG 10 -3.593 -12.415 -2.162 69 HA ARG 10 HA ARG 10 -0.867 -11.504 -1.584 70 HB2 ARG 10 2HB ARG 10 -0.083 -11.908 -3.653 71 HB3 ARG 10 1HB ARG 10 -1.405 -13.059 -3.741 72 HG2 ARG 10 2HG ARG 10 -2.784 -11.273 -4.812 73 HG3 ARG 10 1HG ARG 10 -1.340 -10.264 -4.837 74 HD2 ARG 10 2HD ARG 10 -1.611 -12.961 -6.146 75 HD3 ARG 10 1HD ARG 10 -1.669 -11.405 -6.972 76 HE ARG 10 HE ARG 10 0.656 -11.068 -6.198 77 HH11 ARG 10 1HH1 ARG 10 -0.622 -14.348 -6.287 78 HH12 ARG 10 2HH1 ARG 10 0.919 -15.068 -6.616 79 HH21 ARG 10 1HH2 ARG 10 2.681 -12.009 -6.602 80 HH22 ARG 10 2HH2 ARG 10 2.819 -13.730 -6.798 81 H CYS 11 H CYS 11 -0.477 -9.359 -1.838 82 HA CYS 11 HA CYS 11 -2.745 -7.704 -2.665 83 HB2 CYS 11 2HB CYS 11 -1.056 -7.186 -0.218 84 HB3 CYS 11 1HB CYS 11 -2.430 -6.240 -0.772 85 HG CYS 11 HG CYS 11 -3.166 -7.650 1.511 86 H SER 12 H SER 12 -2.210 -5.958 -3.820 87 HA SER 12 HA SER 12 0.605 -5.399 -4.290 88 HB2 SER 12 2HB SER 12 -1.887 -4.191 -5.543 89 HB3 SER 12 1HB SER 12 -0.229 -3.954 -6.094 90 HG SER 12 HG SER 12 -1.143 -5.538 -7.357 91 H HIS 13 H HIS 13 1.586 -3.736 -3.253 92 HA HIS 13 HA HIS 13 -0.181 -1.951 -1.726 93 HB2 HIS 13 2HB HIS 13 1.339 -2.011 0.184 94 HB3 HIS 13 1HB HIS 13 0.751 -3.615 -0.209 95 HD1 HIS 13 1HD HIS 13 3.337 -3.148 1.481 96 HD2 HIS 13 2HD HIS 13 3.300 -3.865 -2.614 97 HE1 HIS 13 1HE HIS 13 5.611 -4.026 0.926 98 HE2 HIS 13 2HE HIS 13 5.601 -4.365 -1.562 99 H LEU 14 H LEU 14 0.120 0.104 -1.832 100 HA LEU 14 HA LEU 14 2.643 1.164 -2.930 101 HB2 LEU 14 2HB LEU 14 0.468 1.518 -4.228 102 HB3 LEU 14 1HB LEU 14 -0.079 2.501 -2.891 103 HG LEU 14 HG LEU 14 2.426 3.185 -4.425 104 HD11 LEU 14 1HD1 LEU 14 0.606 3.021 -6.032 105 HD12 LEU 14 2HD1 LEU 14 1.061 4.705 -5.769 106 HD13 LEU 14 3HD1 LEU 14 -0.397 4.058 -5.019 107 HD21 LEU 14 3HD2 LEU 14 1.947 5.436 -3.612 108 HD22 LEU 14 1HD2 LEU 14 2.093 4.301 -2.270 109 HD23 LEU 14 2HD2 LEU 14 0.499 4.843 -2.799 110 H LEU 15 H LEU 15 3.741 2.675 -1.652 111 HA LEU 15 HA LEU 15 2.431 3.350 0.901 112 HB2 LEU 15 2HB LEU 15 4.078 1.701 1.397 113 HB3 LEU 15 1HB LEU 15 5.285 2.526 0.432 114 HG LEU 15 HG LEU 15 5.296 4.389 2.061 115 HD11 LEU 15 1HD1 LEU 15 3.048 4.198 2.920 116 HD12 LEU 15 2HD1 LEU 15 4.221 4.103 4.234 117 HD13 LEU 15 3HD1 LEU 15 3.436 2.638 3.646 118 HD21 LEU 15 3HD2 LEU 15 6.343 3.111 3.946 119 HD22 LEU 15 1HD2 LEU 15 6.979 2.737 2.345 120 HD23 LEU 15 2HD2 LEU 15 5.851 1.630 3.126 121 H VAL 16 H VAL 16 2.167 5.403 1.207 122 HA VAL 16 HA VAL 16 4.171 7.268 0.136 123 HB VAL 16 HB VAL 16 1.243 7.811 0.740 124 HG11 VAL 16 1HG1 VAL 16 3.381 9.655 -0.323 125 HG12 VAL 16 2HG1 VAL 16 2.632 9.740 1.271 126 HG13 VAL 16 3HG1 VAL 16 1.668 10.047 -0.175 127 HG21 VAL 16 3HG2 VAL 16 1.032 8.199 -1.663 128 HG22 VAL 16 1HG2 VAL 16 1.572 6.554 -1.330 129 HG23 VAL 16 2HG2 VAL 16 2.727 7.765 -1.887 130 H LYS 17 H LYS 17 5.507 7.705 1.723 131 HA LYS 17 HA LYS 17 4.686 7.571 4.489 132 HB2 LYS 17 2HB LYS 17 7.317 8.406 3.289 133 HB3 LYS 17 1HB LYS 17 7.018 8.089 4.988 134 HG2 LYS 17 2HG LYS 17 6.610 5.761 4.516 135 HG3 LYS 17 1HG LYS 17 6.784 6.061 2.782 136 HD2 LYS 17 2HD LYS 17 9.090 6.869 3.209 137 HD3 LYS 17 1HD LYS 17 8.901 6.402 4.898 138 HE2 LYS 17 2HE LYS 17 8.623 4.097 4.271 139 HE3 LYS 17 1HE LYS 17 8.648 4.525 2.559 140 HZ1 LYS 17 3HZ LYS 17 10.783 3.687 3.290 141 HZ2 LYS 17 1HZ LYS 17 10.886 4.902 4.461 142 HZ3 LYS 17 2HZ LYS 17 10.905 5.307 2.815 143 H HIS 18 H HIS 18 5.964 9.395 5.800 144 HA HIS 18 HA HIS 18 5.247 12.028 4.792 145 HB2 HIS 18 2HB HIS 18 4.433 12.419 7.301 146 HB3 HIS 18 1HB HIS 18 3.334 11.822 6.067 147 HD1 HIS 18 1HD HIS 18 5.062 10.792 9.236 148 HD2 HIS 18 2HD HIS 18 2.528 9.134 6.384 149 HE1 HIS 18 1HE HIS 18 4.239 8.645 10.227 150 HE2 HIS 18 2HE HIS 18 2.526 7.804 8.601 151 H SER 19 H SER 19 6.401 13.745 5.830 152 HA SER 19 HA SER 19 9.086 13.299 6.165 153 HB2 SER 19 2HB SER 19 7.870 15.518 5.790 154 HB3 SER 19 1HB SER 19 7.666 15.581 7.540 155 HG SER 19 HG SER 19 10.102 15.462 6.088 156 H GLN 20 H GLN 20 6.692 13.697 8.782 157 HA GLN 20 HA GLN 20 8.672 12.976 10.761 158 HB2 GLN 20 2HB GLN 20 5.686 13.293 11.108 159 HB3 GLN 20 1HB GLN 20 6.895 13.256 12.381 160 HG2 GLN 20 2HG GLN 20 7.797 15.361 11.665 161 HG3 GLN 20 1HG GLN 20 6.732 15.383 10.259 162 HE21 GLN 20 1HE2 GLN 20 5.728 17.279 10.810 163 HE22 GLN 20 2HE2 GLN 20 4.640 17.410 12.150 164 H SER 21 H SER 21 9.258 10.905 10.078 165 HA SER 21 HA SER 21 7.300 8.827 10.700 166 HB2 SER 21 2HB SER 21 7.239 9.140 8.246 167 HB3 SER 21 1HB SER 21 8.979 8.878 8.174 168 HG SER 21 HG SER 21 6.984 7.019 8.973 169 H ARG 22 H ARG 22 8.373 6.682 10.888 170 HA ARG 22 HA ARG 22 10.581 6.802 12.616 171 HB2 ARG 22 2HB ARG 22 10.617 4.328 12.420 172 HB3 ARG 22 1HB ARG 22 9.017 4.966 12.760 173 HG2 ARG 22 2HG ARG 22 8.417 4.703 10.399 174 HG3 ARG 22 1HG ARG 22 10.022 4.044 10.074 175 HD2 ARG 22 2HD ARG 22 8.411 2.248 10.323 176 HD3 ARG 22 1HD ARG 22 9.574 2.215 11.648 177 HE ARG 22 HE ARG 22 7.185 3.685 12.275 178 HH11 ARG 22 1HH1 ARG 22 8.621 0.486 12.188 179 HH12 ARG 22 2HH1 ARG 22 7.551 -0.168 13.376 180 HH21 ARG 22 1HH2 ARG 22 5.766 2.820 13.848 181 HH22 ARG 22 2HH2 ARG 22 5.915 1.163 14.321 182 H ARG 23 H ARG 23 10.334 6.437 9.169 183 HA ARG 23 HA ARG 23 13.163 6.899 8.930 184 HB2 ARG 23 2HB ARG 23 13.133 4.468 9.051 185 HB3 ARG 23 1HB ARG 23 11.923 4.391 7.781 186 HG2 ARG 23 2HG ARG 23 13.509 5.273 6.172 187 HG3 ARG 23 1HG ARG 23 14.716 5.467 7.443 188 HD2 ARG 23 2HD ARG 23 15.134 3.452 6.134 189 HD3 ARG 23 1HD ARG 23 14.734 3.054 7.802 190 HE ARG 23 HE ARG 23 12.402 3.006 6.219 191 HH11 ARG 23 1HH1 ARG 23 15.339 1.173 6.795 192 HH12 ARG 23 2HH1 ARG 23 14.642 -0.340 6.335 193 HH21 ARG 23 1HH2 ARG 23 11.466 1.000 5.612 194 HH22 ARG 23 2HH2 ARG 23 12.421 -0.441 5.648 195 HA PRO 24 HA PRO 24 10.859 9.036 5.629 196 HB2 PRO 24 2HB PRO 24 12.087 11.400 5.871 197 HB3 PRO 24 1HB PRO 24 10.833 10.901 7.015 198 HG2 PRO 24 2HG PRO 24 13.807 10.856 7.326 199 HG3 PRO 24 1HG PRO 24 12.567 11.330 8.500 200 HD2 PRO 24 2HD PRO 24 13.805 8.865 8.453 201 HD3 PRO 24 1HD PRO 24 12.212 9.172 9.168 202 H SER 25 H SER 25 13.428 7.388 5.582 203 HA SER 25 HA SER 25 14.665 8.680 3.252 204 HB2 SER 25 2HB SER 25 16.159 8.323 5.271 205 HB3 SER 25 1HB SER 25 15.928 6.591 5.047 206 HG SER 25 HG SER 25 17.142 8.439 3.283 207 H SER 26 H SER 26 14.245 7.685 1.381 208 HA SER 26 HA SER 26 13.556 4.831 1.444 209 HB2 SER 26 2HB SER 26 12.145 6.967 -0.160 210 HB3 SER 26 1HB SER 26 11.749 5.248 -0.130 211 H TRP 27 H TRP 27 13.373 4.083 -1.026 212 HA TRP 27 HA TRP 27 15.992 4.264 -2.043 213 HB2 TRP 27 2HB TRP 27 15.223 2.887 -3.913 214 HB3 TRP 27 1HB TRP 27 14.618 2.260 -2.389 215 HD1 TRP 27 HD TRP 27 11.933 2.888 -1.878 216 HE1 TRP 27 1HE TRP 27 9.969 2.986 -3.536 217 HE3 TRP 27 3HE TRP 27 14.574 3.357 -6.230 218 HZ2 TRP 27 2HZ TRP 27 9.589 3.221 -6.317 219 HZ3 TRP 27 3HZ TRP 27 13.328 3.508 -8.348 220 HH2 TRP 27 HH TRP 27 10.890 3.441 -8.388 221 H ARG 28 H ARG 28 13.100 6.049 -2.802 222 HA ARG 28 HA ARG 28 14.346 7.263 -5.123 223 HB2 ARG 28 2HB ARG 28 11.678 7.765 -3.808 224 HB3 ARG 28 1HB ARG 28 12.258 8.652 -5.209 225 HG2 ARG 28 2HG ARG 28 12.456 6.416 -6.371 226 HG3 ARG 28 1HG ARG 28 11.547 5.745 -5.015 227 HD2 ARG 28 2HD ARG 28 10.040 6.282 -6.833 228 HD3 ARG 28 1HD ARG 28 9.738 7.354 -5.465 229 HE ARG 28 HE ARG 28 11.534 8.333 -7.537 230 HH11 ARG 28 1HH1 ARG 28 8.286 8.349 -6.214 231 HH12 ARG 28 2HH1 ARG 28 7.854 9.848 -6.960 232 HH21 ARG 28 1HH2 ARG 28 10.952 10.303 -8.544 233 HH22 ARG 28 2HH2 ARG 28 9.375 10.959 -8.293 234 H GLN 29 H GLN 29 12.843 8.605 -2.195 235 HA GLN 29 HA GLN 29 14.693 10.857 -2.401 236 HB2 GLN 29 2HB GLN 29 12.175 10.554 -0.757 237 HB3 GLN 29 1HB GLN 29 13.160 12.006 -0.861 238 HG2 GLN 29 2HG GLN 29 12.670 12.100 -3.290 239 HG3 GLN 29 1HG GLN 29 11.588 10.726 -3.085 240 HE21 GLN 29 1HE2 GLN 29 10.654 11.656 -0.470 241 HE22 GLN 29 2HE2 GLN 29 9.595 12.984 -0.792 242 H GLU 30 H GLU 30 16.352 11.014 -1.046 243 HA GLU 30 HA GLU 30 16.799 9.084 1.005 244 HB2 GLU 30 2HB GLU 30 18.621 10.197 -0.294 245 HB3 GLU 30 1HB GLU 30 18.238 11.705 0.524 246 HG2 GLU 30 2HG GLU 30 18.814 10.678 2.672 247 HG3 GLU 30 1HG GLU 30 19.218 9.179 1.838 248 H LYS 31 H LYS 31 15.337 12.167 0.798 249 HA LYS 31 HA LYS 31 14.582 11.982 3.589 250 HB2 LYS 31 2HB LYS 31 14.879 14.491 3.818 251 HB3 LYS 31 1HB LYS 31 16.359 13.552 3.768 252 HG2 LYS 31 2HG LYS 31 16.869 15.360 2.417 253 HG3 LYS 31 1HG LYS 31 16.363 14.154 1.236 254 HD2 LYS 31 2HD LYS 31 14.149 15.165 1.131 255 HD3 LYS 31 1HD LYS 31 14.608 16.339 2.362 256 HE2 LYS 31 2HE LYS 31 14.723 17.342 0.155 257 HE3 LYS 31 1HE LYS 31 16.335 17.224 0.856 258 HZ1 LYS 31 3HZ LYS 31 16.195 16.578 -1.509 259 HZ2 LYS 31 1HZ LYS 31 15.220 15.271 -1.078 260 HZ3 LYS 31 2HZ LYS 31 16.817 15.357 -0.522 261 H ILE 32 H ILE 32 12.491 12.399 3.919 262 HA ILE 32 HA ILE 32 10.935 13.226 1.585 263 HB ILE 32 HB ILE 32 10.057 11.784 4.098 264 HG12 ILE 32 2HG1 ILE 32 10.343 10.851 1.233 265 HG13 ILE 32 1HG1 ILE 32 11.411 10.425 2.564 266 HG21 ILE 32 1HG2 ILE 32 8.458 12.519 1.643 267 HG22 ILE 32 2HG2 ILE 32 8.272 13.224 3.249 268 HG23 ILE 32 3HG2 ILE 32 7.888 11.523 2.983 269 HD11 ILE 32 3HD1 ILE 32 9.892 8.622 2.068 270 HD12 ILE 32 1HD1 ILE 32 8.511 9.694 2.299 271 HD13 ILE 32 2HD1 ILE 32 9.549 9.285 3.666 272 H THR 33 H THR 33 10.068 15.151 1.514 273 HA THR 33 HA THR 33 10.126 16.800 3.921 274 HB THR 33 HB THR 33 9.806 18.683 2.277 275 HG1 THR 33 1HG THR 33 9.394 18.153 0.280 276 HG21 THR 33 3HG2 THR 33 12.130 18.571 1.437 277 HG22 THR 33 1HG2 THR 33 12.205 16.878 1.917 278 HG23 THR 33 2HG2 THR 33 12.018 18.134 3.141 279 H ARG 34 H ARG 34 7.918 15.208 1.816 280 HA ARG 34 HA ARG 34 5.724 16.968 2.096 281 HB2 ARG 34 2HB ARG 34 4.430 15.360 1.013 282 HB3 ARG 34 1HB ARG 34 6.042 14.984 0.429 283 HG2 ARG 34 2HG ARG 34 6.206 13.167 2.063 284 HG3 ARG 34 1HG ARG 34 4.585 13.549 2.642 285 HD2 ARG 34 2HD ARG 34 4.217 11.786 1.175 286 HD3 ARG 34 1HD ARG 34 3.873 13.203 0.188 287 HE ARG 34 HE ARG 34 5.917 12.872 -0.963 288 HH11 ARG 34 1HH1 ARG 34 5.215 10.349 1.368 289 HH12 ARG 34 2HH1 ARG 34 6.275 9.193 0.616 290 HH21 ARG 34 1HH2 ARG 34 7.337 11.321 -1.929 291 HH22 ARG 34 2HH2 ARG 34 7.498 9.744 -1.206 292 H THR 35 H THR 35 4.235 17.186 3.661 293 HA THR 35 HA THR 35 4.778 15.884 6.174 294 HB THR 35 HB THR 35 4.231 18.309 6.077 295 HG1 THR 35 1HG THR 35 2.619 18.207 7.797 296 HG21 THR 35 3HG2 THR 35 1.866 18.974 5.759 297 HG22 THR 35 1HG2 THR 35 1.495 17.321 5.268 298 HG23 THR 35 2HG2 THR 35 2.594 18.307 4.301 299 H LYS 36 H LYS 36 2.648 15.316 7.465 300 HA LYS 36 HA LYS 36 1.632 12.927 6.440 301 HB2 LYS 36 2HB LYS 36 1.683 13.442 8.827 302 HB3 LYS 36 1HB LYS 36 0.500 14.718 8.594 303 HG2 LYS 36 2HG LYS 36 -1.141 13.024 7.878 304 HG3 LYS 36 1HG LYS 36 0.051 11.765 8.214 305 HD2 LYS 36 2HD LYS 36 0.122 12.421 10.549 306 HD3 LYS 36 1HD LYS 36 -0.994 13.748 10.231 307 HE2 LYS 36 2HE LYS 36 -2.698 12.107 9.537 308 HE3 LYS 36 1HE LYS 36 -1.581 10.805 9.944 309 HZ1 LYS 36 3HZ LYS 36 -3.107 11.167 11.745 310 HZ2 LYS 36 1HZ LYS 36 -2.707 12.810 11.819 311 HZ3 LYS 36 2HZ LYS 36 -1.561 11.640 12.235 312 H GLU 37 H GLU 37 0.311 16.184 6.413 313 HA GLU 37 HA GLU 37 -2.253 15.635 5.476 314 HB2 GLU 37 2HB GLU 37 -0.545 18.057 4.894 315 HB3 GLU 37 1HB GLU 37 -2.290 17.962 4.713 316 HG2 GLU 37 2HG GLU 37 -2.490 17.555 7.134 317 HG3 GLU 37 1HG GLU 37 -0.745 17.749 7.284 318 H GLU 38 H GLU 38 0.748 16.241 3.693 319 HA GLU 38 HA GLU 38 -0.351 16.147 1.099 320 HB2 GLU 38 2HB GLU 38 2.443 15.425 2.000 321 HB3 GLU 38 1HB GLU 38 1.954 15.722 0.340 322 HG2 GLU 38 2HG GLU 38 1.947 17.713 2.589 323 HG3 GLU 38 1HG GLU 38 3.099 17.639 1.257 324 H ALA 39 H ALA 39 1.209 13.682 3.106 325 HA ALA 39 HA ALA 39 1.184 11.551 1.340 326 HB1 ALA 39 1HB ALA 39 0.782 11.449 4.330 327 HB2 ALA 39 2HB ALA 39 2.336 11.514 3.500 328 HB3 ALA 39 3HB ALA 39 1.292 10.106 3.307 329 H LEU 40 H LEU 40 -1.316 12.567 3.616 330 HA LEU 40 HA LEU 40 -3.141 10.509 3.100 331 HB2 LEU 40 2HB LEU 40 -3.269 11.988 5.040 332 HB3 LEU 40 1HB LEU 40 -3.637 13.344 3.996 333 HG LEU 40 HG LEU 40 -5.765 12.269 3.369 334 HD11 LEU 40 1HD1 LEU 40 -4.975 10.204 5.420 335 HD12 LEU 40 2HD1 LEU 40 -5.149 9.940 3.684 336 HD13 LEU 40 3HD1 LEU 40 -6.561 10.340 4.662 337 HD21 LEU 40 3HD2 LEU 40 -6.890 12.635 5.498 338 HD22 LEU 40 1HD2 LEU 40 -5.673 13.876 5.206 339 HD23 LEU 40 2HD2 LEU 40 -5.342 12.565 6.338 340 H GLU 41 H GLU 41 -2.888 13.774 1.699 341 HA GLU 41 HA GLU 41 -5.134 13.549 0.011 342 HB2 GLU 41 2HB GLU 41 -2.696 15.307 -0.204 343 HB3 GLU 41 1HB GLU 41 -4.124 15.470 -1.218 344 HG2 GLU 41 2HG GLU 41 -4.072 15.718 1.777 345 HG3 GLU 41 1HG GLU 41 -4.107 17.060 0.634 346 H LEU 42 H LEU 42 -1.731 12.775 -0.493 347 HA LEU 42 HA LEU 42 -1.895 12.206 -3.241 348 HB2 LEU 42 2HB LEU 42 -0.033 11.513 -1.044 349 HB3 LEU 42 1HB LEU 42 -0.001 10.453 -2.437 350 HG LEU 42 HG LEU 42 0.505 12.390 -3.886 351 HD11 LEU 42 1HD1 LEU 42 0.663 13.935 -1.307 352 HD12 LEU 42 2HD1 LEU 42 -0.542 14.148 -2.576 353 HD13 LEU 42 3HD1 LEU 42 1.152 14.521 -2.897 354 HD21 LEU 42 3HD2 LEU 42 2.803 12.726 -3.117 355 HD22 LEU 42 1HD2 LEU 42 2.315 11.035 -3.003 356 HD23 LEU 42 2HD2 LEU 42 2.377 12.035 -1.552 357 H ILE 43 H ILE 43 -2.192 10.068 -0.420 358 HA ILE 43 HA ILE 43 -2.769 7.698 -1.770 359 HB ILE 43 HB ILE 43 -3.728 8.638 0.940 360 HG12 ILE 43 2HG1 ILE 43 -1.271 8.451 0.656 361 HG13 ILE 43 1HG1 ILE 43 -1.910 7.310 1.831 362 HG21 ILE 43 1HG2 ILE 43 -3.801 5.857 -0.227 363 HG22 ILE 43 2HG2 ILE 43 -5.196 6.874 0.132 364 HG23 ILE 43 3HG2 ILE 43 -4.178 6.278 1.443 365 HD11 ILE 43 3HD1 ILE 43 -0.228 6.257 0.458 366 HD12 ILE 43 1HD1 ILE 43 -1.111 6.691 -1.005 367 HD13 ILE 43 2HD1 ILE 43 -1.804 5.538 0.135 368 H ASN 44 H ASN 44 -5.022 10.119 -0.448 369 HA ASN 44 HA ASN 44 -7.422 8.949 -1.226 370 HB2 ASN 44 2HB ASN 44 -6.674 11.870 -0.972 371 HB3 ASN 44 1HB ASN 44 -8.320 11.323 -1.267 372 HD21 ASN 44 1HD2 ASN 44 -7.165 12.793 1.002 373 HD22 ASN 44 2HD2 ASN 44 -7.530 11.842 2.396 374 H GLY 45 H GLY 45 -5.274 11.082 -3.034 375 HA2 GLY 45 2HA GLY 45 -6.912 11.333 -5.322 376 HA3 GLY 45 1HA GLY 45 -5.184 11.635 -5.248 377 H TYR 46 H TYR 46 -4.136 9.189 -4.645 378 HA TYR 46 HA TYR 46 -4.119 7.917 -7.137 379 HB2 TYR 46 2HB TYR 46 -3.271 6.788 -4.460 380 HB3 TYR 46 1HB TYR 46 -2.882 6.078 -6.022 381 HD1 TYR 46 1HD TYR 46 -2.249 8.585 -7.547 382 HD2 TYR 46 2HD TYR 46 -1.140 7.339 -3.633 383 HE1 TYR 46 1HE TYR 46 -0.244 9.992 -7.672 384 HE2 TYR 46 2HE TYR 46 0.868 8.751 -3.752 385 HH TYR 46 HH TYR 46 1.287 11.123 -6.107 386 H ILE 47 H ILE 47 -5.870 7.108 -4.175 387 HA ILE 47 HA ILE 47 -7.025 4.708 -4.984 388 HB ILE 47 HB ILE 47 -8.166 6.887 -3.219 389 HG12 ILE 47 2HG1 ILE 47 -6.874 4.240 -2.527 390 HG13 ILE 47 1HG1 ILE 47 -6.080 5.808 -2.436 391 HG21 ILE 47 1HG2 ILE 47 -9.170 4.066 -3.586 392 HG22 ILE 47 2HG2 ILE 47 -9.996 5.538 -4.093 393 HG23 ILE 47 3HG2 ILE 47 -9.749 5.212 -2.377 394 HD11 ILE 47 3HD1 ILE 47 -6.819 5.031 -0.251 395 HD12 ILE 47 1HD1 ILE 47 -8.482 4.962 -0.835 396 HD13 ILE 47 2HD1 ILE 47 -7.651 6.514 -0.721 397 H GLN 48 H GLN 48 -8.193 8.027 -5.459 398 HA GLN 48 HA GLN 48 -10.544 7.263 -6.836 399 HB2 GLN 48 2HB GLN 48 -9.072 9.901 -6.877 400 HB3 GLN 48 1HB GLN 48 -10.691 9.636 -7.511 401 HG2 GLN 48 2HG GLN 48 -9.794 9.447 -4.648 402 HG3 GLN 48 1HG GLN 48 -10.891 10.632 -5.357 403 HE21 GLN 48 1HE2 GLN 48 -11.281 8.758 -3.136 404 HE22 GLN 48 2HE2 GLN 48 -12.660 7.803 -3.552 405 H LYS 49 H LYS 49 -7.268 7.894 -7.887 406 HA LYS 49 HA LYS 49 -7.873 8.019 -10.666 407 HB2 LYS 49 2HB LYS 49 -5.291 7.398 -9.230 408 HB3 LYS 49 1HB LYS 49 -5.425 7.612 -10.970 409 HG2 LYS 49 2HG LYS 49 -6.219 9.903 -10.624 410 HG3 LYS 49 1HG LYS 49 -6.066 9.684 -8.881 411 HD2 LYS 49 2HD LYS 49 -4.137 10.877 -9.752 412 HD3 LYS 49 1HD LYS 49 -3.655 9.288 -9.161 413 HE2 LYS 49 2HE LYS 49 -3.593 8.421 -11.413 414 HE3 LYS 49 1HE LYS 49 -4.226 9.939 -12.049 415 HZ1 LYS 49 3HZ LYS 49 -1.757 9.557 -12.228 416 HZ2 LYS 49 1HZ LYS 49 -1.681 9.792 -10.556 417 HZ3 LYS 49 2HZ LYS 49 -2.234 11.038 -11.549 418 H ILE 50 H ILE 50 -7.090 5.417 -8.456 419 HA ILE 50 HA ILE 50 -6.831 3.385 -10.441 420 HB ILE 50 HB ILE 50 -7.548 3.144 -7.503 421 HG12 ILE 50 2HG1 ILE 50 -4.858 2.709 -8.801 422 HG13 ILE 50 1HG1 ILE 50 -5.341 4.251 -8.102 423 HG21 ILE 50 1HG2 ILE 50 -6.540 1.049 -9.431 424 HG22 ILE 50 2HG2 ILE 50 -8.167 1.139 -8.757 425 HG23 ILE 50 3HG2 ILE 50 -6.791 0.819 -7.701 426 HD11 ILE 50 3HD1 ILE 50 -3.959 2.904 -6.592 427 HD12 ILE 50 1HD1 ILE 50 -5.197 1.647 -6.606 428 HD13 ILE 50 2HD1 ILE 50 -5.559 3.234 -5.929 429 H LYS 51 H LYS 51 -9.463 4.699 -8.542 430 HA LYS 51 HA LYS 51 -11.422 2.792 -9.291 431 HB2 LYS 51 2HB LYS 51 -11.667 5.596 -8.207 432 HB3 LYS 51 1HB LYS 51 -13.035 4.521 -8.452 433 HG2 LYS 51 2HG LYS 51 -10.692 3.859 -6.683 434 HG3 LYS 51 1HG LYS 51 -12.167 4.631 -6.106 435 HD2 LYS 51 2HD LYS 51 -12.287 2.043 -7.622 436 HD3 LYS 51 1HD LYS 51 -11.914 2.056 -5.901 437 HE2 LYS 51 2HE LYS 51 -14.292 1.686 -6.252 438 HE3 LYS 51 1HE LYS 51 -14.026 3.233 -5.457 439 HZ1 LYS 51 3HZ LYS 51 -15.706 3.227 -7.278 440 HZ2 LYS 51 1HZ LYS 51 -14.457 2.949 -8.375 441 HZ3 LYS 51 2HZ LYS 51 -14.489 4.380 -7.464 442 H SER 52 H SER 52 -10.394 5.872 -10.657 443 HA SER 52 HA SER 52 -12.528 5.848 -12.604 444 HB2 SER 52 2HB SER 52 -11.227 7.885 -13.497 445 HB3 SER 52 1HB SER 52 -11.971 8.021 -11.905 446 HG SER 52 HG SER 52 -10.030 7.857 -10.953 447 H GLY 53 H GLY 53 -9.566 4.347 -12.338 448 HA2 GLY 53 2HA GLY 53 -8.480 2.957 -13.819 449 HA3 GLY 53 1HA GLY 53 -9.716 3.338 -15.007 450 H GLU 54 H GLU 54 -7.701 5.693 -13.372 451 HA GLU 54 HA GLU 54 -6.934 6.900 -15.830 452 HB2 GLU 54 2HB GLU 54 -6.015 7.300 -12.992 453 HB3 GLU 54 1HB GLU 54 -5.386 8.238 -14.338 454 HG2 GLU 54 2HG GLU 54 -8.271 8.107 -13.501 455 HG3 GLU 54 1HG GLU 54 -7.145 9.409 -13.116 456 H GLU 55 H GLU 55 -4.849 5.532 -13.297 457 HA GLU 55 HA GLU 55 -3.091 4.544 -15.420 458 HB2 GLU 55 2HB GLU 55 -2.236 5.834 -12.829 459 HB3 GLU 55 1HB GLU 55 -1.153 5.092 -13.999 460 HG2 GLU 55 2HG GLU 55 -1.834 6.741 -15.669 461 HG3 GLU 55 1HG GLU 55 -2.906 7.488 -14.487 462 H ASP 56 H ASP 56 -1.759 2.764 -14.813 463 HA ASP 56 HA ASP 56 -3.234 0.797 -13.381 464 HB2 ASP 56 2HB ASP 56 -0.424 0.706 -14.499 465 HB3 ASP 56 1HB ASP 56 -1.324 -0.685 -13.907 466 H PHE 57 H PHE 57 -2.777 -0.184 -11.440 467 HA PHE 57 HA PHE 57 -1.671 1.410 -9.416 468 HB2 PHE 57 2HB PHE 57 -3.358 -0.392 -9.039 469 HB3 PHE 57 1HB PHE 57 -2.101 -1.587 -9.345 470 HD1 PHE 57 1HD PHE 57 -0.293 -1.931 -7.730 471 HD2 PHE 57 2HD PHE 57 -3.433 0.831 -6.989 472 HE1 PHE 57 1HE PHE 57 0.342 -1.851 -5.356 473 HE2 PHE 57 2HE PHE 57 -2.807 0.917 -4.614 474 HZ PHE 57 HZ PHE 57 -0.915 -0.423 -3.795 475 H GLU 58 H GLU 58 -0.383 -1.294 -11.269 476 HA GLU 58 HA GLU 58 2.028 -1.664 -9.928 477 HB2 GLU 58 2HB GLU 58 1.357 -1.966 -12.847 478 HB3 GLU 58 1HB GLU 58 2.888 -2.475 -12.152 479 HG2 GLU 58 2HG GLU 58 1.723 -4.042 -10.706 480 HG3 GLU 58 1HG GLU 58 0.176 -3.512 -11.365 481 H SER 59 H SER 59 1.250 0.555 -12.586 482 HA SER 59 HA SER 59 3.812 1.658 -12.867 483 HB2 SER 59 2HB SER 59 1.151 3.008 -13.388 484 HB3 SER 59 1HB SER 59 2.709 3.447 -14.090 485 HG SER 59 HG SER 59 1.275 2.093 -15.418 486 H LEU 60 H LEU 60 1.022 2.634 -10.908 487 HA LEU 60 HA LEU 60 2.177 4.974 -9.843 488 HB2 LEU 60 2HB LEU 60 0.039 3.192 -8.676 489 HB3 LEU 60 1HB LEU 60 0.427 4.802 -8.106 490 HG LEU 60 HG LEU 60 -0.678 4.133 -10.836 491 HD11 LEU 60 1HD1 LEU 60 -1.988 5.405 -8.439 492 HD12 LEU 60 2HD1 LEU 60 -2.317 3.793 -9.074 493 HD13 LEU 60 3HD1 LEU 60 -2.715 5.217 -10.035 494 HD21 LEU 60 3HD2 LEU 60 -0.952 6.568 -11.058 495 HD22 LEU 60 1HD2 LEU 60 0.743 6.103 -10.910 496 HD23 LEU 60 2HD2 LEU 60 -0.106 6.792 -9.527 497 H ALA 61 H ALA 61 2.052 1.647 -8.623 498 HA ALA 61 HA ALA 61 3.349 2.200 -6.161 499 HB1 ALA 61 1HB ALA 61 3.528 -0.211 -5.919 500 HB2 ALA 61 2HB ALA 61 3.120 -0.428 -7.621 501 HB3 ALA 61 3HB ALA 61 1.926 0.234 -6.506 502 H SER 62 H SER 62 4.551 1.681 -9.353 503 HA SER 62 HA SER 62 7.223 1.061 -8.400 504 HB2 SER 62 2HB SER 62 6.214 1.501 -11.220 505 HB3 SER 62 1HB SER 62 7.810 0.892 -10.776 506 HG SER 62 HG SER 62 5.300 -0.341 -10.245 507 H GLN 63 H GLN 63 5.402 3.802 -8.844 508 HA GLN 63 HA GLN 63 7.787 5.445 -9.352 509 HB2 GLN 63 2HB GLN 63 4.899 6.023 -9.994 510 HB3 GLN 63 1HB GLN 63 6.199 7.195 -10.155 511 HG2 GLN 63 2HG GLN 63 7.266 5.851 -11.841 512 HG3 GLN 63 1HG GLN 63 6.087 4.563 -11.611 513 HE21 GLN 63 1HE2 GLN 63 3.862 6.442 -11.348 514 HE22 GLN 63 2HE2 GLN 63 3.534 7.009 -12.946 515 H PHE 64 H PHE 64 4.608 5.700 -7.747 516 HA PHE 64 HA PHE 64 5.702 7.801 -6.039 517 HB2 PHE 64 2HB PHE 64 2.845 6.899 -6.372 518 HB3 PHE 64 1HB PHE 64 3.399 8.345 -5.534 519 HD1 PHE 64 1HD PHE 64 4.695 10.074 -6.927 520 HD2 PHE 64 2HD PHE 64 2.311 6.985 -8.623 521 HE1 PHE 64 1HE PHE 64 4.550 11.344 -9.028 522 HE2 PHE 64 2HE PHE 64 2.163 8.249 -10.727 523 HZ PHE 64 HZ PHE 64 3.285 10.431 -10.931 524 H SER 65 H SER 65 6.280 4.914 -5.550 525 HA SER 65 HA SER 65 5.104 4.761 -2.863 526 HB2 SER 65 2HB SER 65 4.515 2.841 -4.319 527 HB3 SER 65 1HB SER 65 6.230 2.488 -4.521 528 HG SER 65 HG SER 65 6.278 1.611 -2.615 529 H ASP 66 H ASP 66 6.443 5.330 -1.317 530 HA ASP 66 HA ASP 66 9.230 5.730 -1.733 531 HB2 ASP 66 2HB ASP 66 7.754 5.546 0.899 532 HB3 ASP 66 1HB ASP 66 9.343 6.253 0.647 533 H CYS 67 H CYS 67 7.338 3.081 -0.619 534 HA CYS 67 HA CYS 67 9.456 1.630 0.646 535 HB2 CYS 67 2HB CYS 67 7.027 1.264 1.137 536 HB3 CYS 67 1HB CYS 67 6.839 0.596 -0.474 537 HG CYS 67 HG CYS 67 7.878 -0.865 2.309 538 H SER 68 H SER 68 10.443 -0.312 -0.192 539 HA SER 68 HA SER 68 11.227 -0.066 -2.935 540 HB2 SER 68 2HB SER 68 11.827 -2.262 -0.940 541 HB3 SER 68 1HB SER 68 12.674 -1.983 -2.461 542 HG SER 68 HG SER 68 12.650 0.297 -1.050 543 H SER 69 H SER 69 8.486 -0.471 -2.812 544 HA SER 69 HA SER 69 7.820 -3.229 -3.263 545 HB2 SER 69 2HB SER 69 6.120 -0.780 -3.752 546 HB3 SER 69 1HB SER 69 5.567 -2.438 -3.509 547 HG SER 69 HG SER 69 6.950 -2.030 -1.416 548 H ALA 70 H ALA 70 8.893 -0.590 -5.152 549 HA ALA 70 HA ALA 70 7.691 -1.063 -7.626 550 HB1 ALA 70 1HB ALA 70 9.501 0.220 -8.586 551 HB2 ALA 70 2HB ALA 70 10.468 -0.004 -7.131 552 HB3 ALA 70 3HB ALA 70 8.989 0.953 -7.066 553 H LYS 71 H LYS 71 10.348 -2.674 -6.059 554 HA LYS 71 HA LYS 71 11.568 -3.914 -8.238 555 HB2 LYS 71 2HB LYS 71 11.254 -4.974 -5.429 556 HB3 LYS 71 1HB LYS 71 12.409 -5.560 -6.618 557 HG2 LYS 71 2HG LYS 71 13.448 -3.322 -6.654 558 HG3 LYS 71 1HG LYS 71 12.335 -2.818 -5.383 559 HD2 LYS 71 2HD LYS 71 13.237 -4.497 -3.886 560 HD3 LYS 71 1HD LYS 71 14.294 -5.100 -5.165 561 HE2 LYS 71 2HE LYS 71 14.381 -2.351 -3.925 562 HE3 LYS 71 1HE LYS 71 15.520 -3.663 -3.627 563 HZ1 LYS 71 3HZ LYS 71 16.448 -2.144 -5.207 564 HZ2 LYS 71 1HZ LYS 71 15.085 -2.253 -6.201 565 HZ3 LYS 71 2HZ LYS 71 16.094 -3.590 -6.007 566 H ALA 72 H ALA 72 8.737 -4.875 -6.376 567 HA ALA 72 HA ALA 72 8.381 -7.147 -8.205 568 HB1 ALA 72 1HB ALA 72 7.110 -6.668 -5.512 569 HB2 ALA 72 2HB ALA 72 8.480 -7.733 -5.826 570 HB3 ALA 72 3HB ALA 72 6.900 -8.098 -6.521 571 H ARG 73 H ARG 73 7.695 -4.178 -8.477 572 HA ARG 73 HA ARG 73 6.109 -2.920 -9.505 573 HB2 ARG 73 2HB ARG 73 4.903 -5.623 -10.092 574 HB3 ARG 73 1HB ARG 73 4.262 -4.117 -10.729 575 HG2 ARG 73 2HG ARG 73 6.320 -3.706 -11.926 576 HG3 ARG 73 1HG ARG 73 7.046 -5.150 -11.216 577 HD2 ARG 73 2HD ARG 73 4.565 -5.175 -12.920 578 HD3 ARG 73 1HD ARG 73 6.189 -5.442 -13.549 579 HE ARG 73 HE ARG 73 6.200 -7.331 -11.787 580 HH11 ARG 73 1HH1 ARG 73 3.336 -6.309 -13.550 581 HH12 ARG 73 2HH1 ARG 73 2.694 -7.913 -13.674 582 HH21 ARG 73 1HH2 ARG 73 5.291 -9.453 -11.896 583 HH22 ARG 73 2HH2 ARG 73 3.789 -9.686 -12.724 584 H GLY 74 H GLY 74 5.824 -3.892 -6.645 585 HA2 GLY 74 2HA GLY 74 4.376 -2.867 -5.071 586 HA3 GLY 74 1HA GLY 74 3.117 -2.832 -6.293 587 H ASP 75 H ASP 75 4.172 -5.773 -6.763 588 HA ASP 75 HA ASP 75 2.033 -6.937 -5.238 589 HB2 ASP 75 2HB ASP 75 2.399 -7.729 -7.492 590 HB3 ASP 75 1HB ASP 75 4.057 -8.177 -7.108 591 H LEU 76 H LEU 76 2.113 -8.187 -3.486 592 HA LEU 76 HA LEU 76 4.685 -8.457 -2.110 593 HB2 LEU 76 2HB LEU 76 1.831 -8.501 -1.247 594 HB3 LEU 76 1HB LEU 76 3.033 -9.299 -0.255 595 HG LEU 76 HG LEU 76 3.202 -6.399 -1.047 596 HD11 LEU 76 1HD1 LEU 76 2.147 -7.637 1.492 597 HD12 LEU 76 2HD1 LEU 76 1.192 -6.783 0.281 598 HD13 LEU 76 3HD1 LEU 76 2.411 -5.916 1.213 599 HD21 LEU 76 3HD2 LEU 76 4.803 -6.310 0.808 600 HD22 LEU 76 1HD2 LEU 76 5.326 -7.430 -0.449 601 HD23 LEU 76 2HD2 LEU 76 4.620 -8.048 1.044 602 H GLY 77 H GLY 77 2.517 -10.270 -3.948 603 HA2 GLY 77 2HA GLY 77 2.666 -12.489 -4.562 604 HA3 GLY 77 1HA GLY 77 3.975 -12.688 -3.400 605 H ALA 78 H ALA 78 2.522 -14.734 -3.254 606 HA ALA 78 HA ALA 78 0.136 -14.426 -1.685 607 HB1 ALA 78 1HB ALA 78 0.079 -16.861 -1.668 608 HB2 ALA 78 2HB ALA 78 1.707 -16.914 -2.343 609 HB3 ALA 78 3HB ALA 78 0.378 -16.255 -3.296 610 H PHE 79 H PHE 79 0.250 -13.851 0.374 611 HA PHE 79 HA PHE 79 2.330 -15.085 2.055 612 HB2 PHE 79 2HB PHE 79 2.451 -13.019 3.375 613 HB3 PHE 79 1HB PHE 79 2.855 -12.709 1.693 614 HD1 PHE 79 1HD PHE 79 0.375 -12.189 4.345 615 HD2 PHE 79 2HD PHE 79 1.444 -11.321 0.318 616 HE1 PHE 79 1HE PHE 79 -1.304 -10.394 4.290 617 HE2 PHE 79 2HE PHE 79 -0.234 -9.526 0.257 618 HZ PHE 79 HZ PHE 79 -1.610 -9.061 2.245 619 H SER 80 H SER 80 1.702 -14.842 4.457 620 HA SER 80 HA SER 80 -1.175 -15.333 4.764 621 HB2 SER 80 2HB SER 80 -0.523 -17.052 6.508 622 HB3 SER 80 1HB SER 80 -0.162 -17.496 4.839 623 HG SER 80 HG SER 80 1.728 -16.283 6.574 624 H ARG 81 H ARG 81 -1.901 -15.103 7.043 625 HA ARG 81 HA ARG 81 -1.053 -12.608 8.080 626 HB2 ARG 81 2HB ARG 81 -2.635 -13.119 9.949 627 HB3 ARG 81 1HB ARG 81 -3.341 -13.220 8.344 628 HG2 ARG 81 2HG ARG 81 -3.042 -15.685 8.442 629 HG3 ARG 81 1HG ARG 81 -2.518 -15.503 10.116 630 HD2 ARG 81 2HD ARG 81 -4.636 -14.607 10.755 631 HD3 ARG 81 1HD ARG 81 -5.154 -14.495 9.073 632 HE ARG 81 HE ARG 81 -4.588 -17.087 10.341 633 HH11 ARG 81 1HH1 ARG 81 -6.772 -14.941 8.623 634 HH12 ARG 81 2HH1 ARG 81 -7.918 -16.191 8.268 635 HH21 ARG 81 1HH2 ARG 81 -6.128 -18.733 9.877 636 HH22 ARG 81 2HH2 ARG 81 -7.554 -18.333 8.972 637 H GLY 82 H GLY 82 -0.298 -12.176 10.264 638 HA2 GLY 82 2HA GLY 82 0.945 -12.739 12.181 639 HA3 GLY 82 1HA GLY 82 1.247 -14.332 11.501 640 H GLN 83 H GLN 83 2.026 -13.112 8.909 641 HA GLN 83 HA GLN 83 4.748 -12.324 9.697 642 HB2 GLN 83 2HB GLN 83 3.715 -13.717 7.233 643 HB3 GLN 83 1HB GLN 83 5.359 -13.111 7.380 644 HG2 GLN 83 2HG GLN 83 4.126 -15.113 9.252 645 HG3 GLN 83 1HG GLN 83 5.110 -15.532 7.851 646 HE21 GLN 83 1HE2 GLN 83 7.287 -15.117 7.879 647 HE22 GLN 83 2HE2 GLN 83 8.153 -14.748 9.330 648 H MET 84 H MET 84 2.015 -10.927 8.772 649 HA MET 84 HA MET 84 3.312 -8.995 6.974 650 HB2 MET 84 2HB MET 84 1.398 -10.165 5.969 651 HB3 MET 84 1HB MET 84 0.378 -9.676 7.309 652 HG2 MET 84 2HG MET 84 0.038 -8.374 5.227 653 HG3 MET 84 1HG MET 84 0.452 -7.393 6.631 654 HE1 MET 84 3HE MET 84 3.477 -8.449 3.294 655 HE2 MET 84 1HE MET 84 1.812 -9.030 3.315 656 HE3 MET 84 2HE MET 84 2.961 -9.602 4.524 657 H GLN 85 H GLN 85 2.530 -6.711 7.249 658 HA GLN 85 HA GLN 85 2.805 -5.863 9.929 659 HB2 GLN 85 2HB GLN 85 1.666 -4.272 7.611 660 HB3 GLN 85 1HB GLN 85 2.406 -3.624 9.070 661 HG2 GLN 85 2HG GLN 85 4.547 -4.689 8.388 662 HG3 GLN 85 1HG GLN 85 3.780 -5.173 6.882 663 HE21 GLN 85 1HE2 GLN 85 6.081 -3.485 7.310 664 HE22 GLN 85 2HE2 GLN 85 5.730 -1.961 6.582 665 H LYS 86 H LYS 86 1.308 -5.594 11.481 666 HA LYS 86 HA LYS 86 -1.047 -6.988 11.363 667 HB2 LYS 86 2HB LYS 86 -0.345 -4.778 13.284 668 HB3 LYS 86 1HB LYS 86 -1.679 -5.902 13.495 669 HG2 LYS 86 2HG LYS 86 1.240 -6.639 13.330 670 HG3 LYS 86 1HG LYS 86 0.268 -6.567 14.801 671 HD2 LYS 86 2HD LYS 86 -1.160 -8.355 13.973 672 HD3 LYS 86 1HD LYS 86 -0.270 -8.393 12.452 673 HE2 LYS 86 2HE LYS 86 0.416 -10.205 13.939 674 HE3 LYS 86 1HE LYS 86 1.740 -9.085 13.632 675 HZ1 LYS 86 3HZ LYS 86 1.598 -9.719 15.963 676 HZ2 LYS 86 1HZ LYS 86 0.032 -9.093 16.057 677 HZ3 LYS 86 2HZ LYS 86 1.342 -8.062 15.767 678 HA PRO 87 HA PRO 87 -3.787 -3.015 10.774 679 HB2 PRO 87 2HB PRO 87 -1.947 -1.180 9.361 680 HB3 PRO 87 1HB PRO 87 -3.100 -0.832 10.651 681 HG2 PRO 87 2HG PRO 87 -0.469 -0.832 11.110 682 HG3 PRO 87 1HG PRO 87 -1.617 -1.426 12.323 683 HD2 PRO 87 2HD PRO 87 0.130 -2.971 10.446 684 HD3 PRO 87 1HD PRO 87 -0.242 -3.283 12.152 685 H PHE 88 H PHE 88 -1.248 -3.934 8.597 686 HA PHE 88 HA PHE 88 -2.741 -3.477 6.170 687 HB2 PHE 88 2HB PHE 88 -0.231 -3.290 6.372 688 HB3 PHE 88 1HB PHE 88 -0.174 -5.033 6.582 689 HD1 PHE 88 2HD PHE 88 -0.968 -6.496 4.682 690 HD2 PHE 88 1HD PHE 88 -0.301 -2.319 4.254 691 HE1 PHE 88 2HE PHE 88 -0.832 -6.774 2.247 692 HE2 PHE 88 1HE PHE 88 -0.161 -2.590 1.815 693 HZ PHE 88 HZ PHE 88 -0.429 -4.825 0.810 694 H GLU 89 H GLU 89 -1.841 -6.139 8.248 695 HA GLU 89 HA GLU 89 -2.656 -8.313 6.698 696 HB2 GLU 89 2HB GLU 89 -1.268 -8.538 8.680 697 HB3 GLU 89 1HB GLU 89 -2.588 -7.977 9.695 698 HG2 GLU 89 2HG GLU 89 -3.890 -9.973 8.861 699 HG3 GLU 89 1HG GLU 89 -2.367 -10.559 8.194 700 H ASP 90 H ASP 90 -4.392 -6.804 9.428 701 HA ASP 90 HA ASP 90 -6.768 -8.268 9.024 702 HB2 ASP 90 2HB ASP 90 -6.265 -5.692 10.502 703 HB3 ASP 90 1HB ASP 90 -7.836 -6.481 10.464 704 H ALA 91 H ALA 91 -5.504 -5.600 7.361 705 HA ALA 91 HA ALA 91 -8.059 -4.687 6.385 706 HB1 ALA 91 1HB ALA 91 -6.771 -3.147 5.014 707 HB2 ALA 91 2HB ALA 91 -5.280 -3.977 5.461 708 HB3 ALA 91 3HB ALA 91 -6.202 -3.105 6.682 709 H SER 92 H SER 92 -5.276 -6.478 5.160 710 HA SER 92 HA SER 92 -6.234 -6.872 2.540 711 HB2 SER 92 2HB SER 92 -4.321 -8.555 4.165 712 HB3 SER 92 1HB SER 92 -4.540 -8.657 2.418 713 HG SER 92 HG SER 92 -3.606 -6.419 3.899 714 H PHE 93 H PHE 93 -6.451 -8.852 5.462 715 HA PHE 93 HA PHE 93 -7.907 -10.929 4.115 716 HB2 PHE 93 2HB PHE 93 -7.194 -10.475 7.004 717 HB3 PHE 93 1HB PHE 93 -8.158 -11.844 6.463 718 HD1 PHE 93 2HD PHE 93 -7.159 -13.544 4.965 719 HD2 PHE 93 1HD PHE 93 -4.836 -10.421 6.683 720 HE1 PHE 93 2HE PHE 93 -5.105 -14.790 4.444 721 HE2 PHE 93 1HE PHE 93 -2.778 -11.662 6.162 722 HZ PHE 93 HZ PHE 93 -2.911 -13.850 5.042 723 H ALA 94 H ALA 94 -8.846 -7.964 4.850 724 HA ALA 94 HA ALA 94 -11.555 -8.743 5.672 725 HB1 ALA 94 1HB ALA 94 -11.897 -6.343 6.116 726 HB2 ALA 94 2HB ALA 94 -10.244 -6.024 5.594 727 HB3 ALA 94 3HB ALA 94 -10.541 -6.995 7.035 728 H LEU 95 H LEU 95 -9.766 -8.296 2.990 729 HA LEU 95 HA LEU 95 -11.961 -7.123 1.420 730 HB2 LEU 95 2HB LEU 95 -9.055 -7.410 0.656 731 HB3 LEU 95 1HB LEU 95 -10.294 -6.578 -0.257 732 HG LEU 95 HG LEU 95 -9.179 -5.721 2.410 733 HD11 LEU 95 1HD1 LEU 95 -8.858 -4.540 -0.343 734 HD12 LEU 95 2HD1 LEU 95 -7.627 -5.434 0.548 735 HD13 LEU 95 3HD1 LEU 95 -8.202 -3.883 1.156 736 HD21 LEU 95 3HD2 LEU 95 -10.499 -3.678 2.068 737 HD22 LEU 95 1HD2 LEU 95 -11.528 -5.102 2.210 738 HD23 LEU 95 2HD2 LEU 95 -11.221 -4.390 0.627 739 H ARG 96 H ARG 96 -11.535 -7.980 -1.022 740 HA ARG 96 HA ARG 96 -11.134 -10.873 -0.972 741 HB2 ARG 96 2HB ARG 96 -13.571 -9.439 -2.039 742 HB3 ARG 96 1HB ARG 96 -13.150 -11.077 -2.516 743 HG2 ARG 96 2HG ARG 96 -13.594 -10.248 0.343 744 HG3 ARG 96 1HG ARG 96 -14.864 -10.896 -0.696 745 HD2 ARG 96 2HD ARG 96 -13.695 -12.971 -0.939 746 HD3 ARG 96 1HD ARG 96 -12.268 -12.320 -0.137 747 HE ARG 96 HE ARG 96 -13.502 -12.304 1.925 748 HH11 ARG 96 1HH1 ARG 96 -15.006 -14.130 -0.690 749 HH12 ARG 96 2HH1 ARG 96 -15.952 -15.104 0.382 750 HH21 ARG 96 1HH2 ARG 96 -14.730 -13.622 3.319 751 HH22 ARG 96 2HH2 ARG 96 -15.786 -14.829 2.664 752 H THR 97 H THR 97 -11.544 -11.549 -3.500 753 HA THR 97 HA THR 97 -9.281 -10.573 -4.843 754 HB THR 97 HB THR 97 -11.611 -12.090 -6.007 755 HG1 THR 97 1HG THR 97 -9.334 -12.959 -4.509 756 HG21 THR 97 3HG2 THR 97 -9.880 -13.007 -7.528 757 HG22 THR 97 1HG2 THR 97 -8.708 -11.897 -6.820 758 HG23 THR 97 2HG2 THR 97 -10.091 -11.265 -7.708 759 H GLY 98 H GLY 98 -9.088 -8.629 -5.786 760 HA2 GLY 98 2HA GLY 98 -9.552 -7.109 -7.518 761 HA3 GLY 98 1HA GLY 98 -11.195 -7.729 -7.598 762 H GLU 99 H GLU 99 -10.128 -7.117 -4.445 763 HA GLU 99 HA GLU 99 -11.758 -4.678 -4.392 764 HB2 GLU 99 2HB GLU 99 -12.538 -6.582 -3.018 765 HB3 GLU 99 1HB GLU 99 -11.025 -6.536 -2.126 766 HG2 GLU 99 2HG GLU 99 -12.804 -5.462 -0.879 767 HG3 GLU 99 1HG GLU 99 -11.558 -4.298 -1.331 768 H MET 100 H MET 100 -11.078 -2.886 -3.158 769 HA MET 100 HA MET 100 -8.242 -2.815 -2.402 770 HB2 MET 100 2HB MET 100 -8.429 -1.870 -4.660 771 HB3 MET 100 1HB MET 100 -9.659 -0.752 -4.095 772 HG2 MET 100 2HG MET 100 -8.011 0.283 -2.600 773 HG3 MET 100 1HG MET 100 -6.781 -0.819 -3.213 774 HE1 MET 100 3HE MET 100 -9.654 0.923 -5.326 775 HE2 MET 100 1HE MET 100 -8.853 2.434 -5.749 776 HE3 MET 100 2HE MET 100 -9.241 2.081 -4.065 777 H SER 101 H SER 101 -7.896 -1.815 -0.507 778 HA SER 101 HA SER 101 -10.182 -0.734 0.909 779 HB2 SER 101 2HB SER 101 -8.564 -0.627 2.828 780 HB3 SER 101 1HB SER 101 -8.771 -2.241 2.151 781 HG SER 101 HG SER 101 -6.575 -0.537 2.085 782 H GLY 102 H GLY 102 -9.441 1.217 2.442 783 HA2 GLY 102 2HA GLY 102 -8.704 3.348 0.597 784 HA3 GLY 102 1HA GLY 102 -9.442 3.547 2.182 785 HA PRO 103 HA PRO 103 -5.036 4.744 2.706 786 HB2 PRO 103 2HB PRO 103 -6.210 6.407 4.843 787 HB3 PRO 103 1HB PRO 103 -5.164 6.885 3.504 788 HG2 PRO 103 2HG PRO 103 -7.761 7.545 3.552 789 HG3 PRO 103 1HG PRO 103 -6.931 7.142 2.037 790 HD2 PRO 103 2HD PRO 103 -8.753 5.450 3.708 791 HD3 PRO 103 1HD PRO 103 -8.681 5.623 1.940 792 H VAL 104 H VAL 104 -4.293 2.866 3.626 793 HA VAL 104 HA VAL 104 -5.145 2.161 6.311 794 HB VAL 104 HB VAL 104 -3.125 0.793 4.514 795 HG11 VAL 104 1HG1 VAL 104 -4.459 -0.160 7.049 796 HG12 VAL 104 2HG1 VAL 104 -2.764 0.289 6.869 797 HG13 VAL 104 3HG1 VAL 104 -3.397 -1.123 6.021 798 HG21 VAL 104 3HG2 VAL 104 -5.349 0.762 3.525 799 HG22 VAL 104 1HG2 VAL 104 -6.026 0.136 5.028 800 HG23 VAL 104 2HG2 VAL 104 -4.903 -0.848 4.091 801 H PHE 105 H PHE 105 -4.287 3.477 7.790 802 HA PHE 105 HA PHE 105 -1.662 4.578 7.594 803 HB2 PHE 105 2HB PHE 105 -3.451 4.404 10.029 804 HB3 PHE 105 1HB PHE 105 -2.086 5.490 9.809 805 HD1 PHE 105 1HD PHE 105 -2.248 7.357 8.189 806 HD2 PHE 105 2HD PHE 105 -5.593 4.907 9.142 807 HE1 PHE 105 1HE PHE 105 -3.757 9.055 7.247 808 HE2 PHE 105 2HE PHE 105 -7.107 6.599 8.200 809 HZ PHE 105 HZ PHE 105 -6.190 8.677 7.251 810 H THR 106 H THR 106 0.028 3.242 7.687 811 HA THR 106 HA THR 106 -0.043 1.072 9.664 812 HB THR 106 HB THR 106 1.947 0.997 7.461 813 HG1 THR 106 1HG THR 106 -0.635 1.461 6.957 814 HG21 THR 106 3HG2 THR 106 0.045 -1.057 8.615 815 HG22 THR 106 1HG2 THR 106 1.715 -0.825 9.128 816 HG23 THR 106 2HG2 THR 106 1.365 -1.382 7.493 817 H ASP 107 H ASP 107 2.712 0.474 9.527 818 HA ASP 107 HA ASP 107 3.704 1.950 11.630 819 HB2 ASP 107 2HB ASP 107 5.188 0.282 9.603 820 HB3 ASP 107 1HB ASP 107 5.899 0.896 11.089 821 H SER 108 H SER 108 5.034 2.088 8.311 822 HA SER 108 HA SER 108 6.472 4.496 9.061 823 HB2 SER 108 2HB SER 108 7.620 2.689 7.814 824 HB3 SER 108 1HB SER 108 6.550 2.983 6.445 825 HG SER 108 HG SER 108 7.557 5.324 7.100 826 H GLY 109 H GLY 109 3.560 3.737 7.421 827 HA2 GLY 109 2HA GLY 109 2.783 6.375 7.117 828 HA3 GLY 109 1HA GLY 109 3.546 5.914 5.605 829 H ILE 110 H ILE 110 1.519 6.273 4.607 830 HA ILE 110 HA ILE 110 -0.641 4.463 5.332 831 HB ILE 110 HB ILE 110 -0.612 6.611 3.211 832 HG12 ILE 110 2HG1 ILE 110 -1.656 6.783 6.047 833 HG13 ILE 110 1HG1 ILE 110 -0.158 7.517 5.485 834 HG21 ILE 110 1HG2 ILE 110 -2.866 5.139 4.572 835 HG22 ILE 110 2HG2 ILE 110 -2.349 4.946 2.897 836 HG23 ILE 110 3HG2 ILE 110 -3.062 6.468 3.431 837 HD11 ILE 110 3HD1 ILE 110 -1.951 9.149 5.615 838 HD12 ILE 110 1HD1 ILE 110 -2.927 8.183 4.509 839 HD13 ILE 110 2HD1 ILE 110 -1.429 8.924 3.945 840 H HIS 111 H HIS 111 -1.124 2.694 4.200 841 HA HIS 111 HA HIS 111 0.265 2.271 1.634 842 HB2 HIS 111 2HB HIS 111 -0.619 0.281 3.725 843 HB3 HIS 111 1HB HIS 111 -0.167 -0.192 2.097 844 HD1 HIS 111 1HD HIS 111 2.345 -0.265 1.546 845 HD2 HIS 111 2HD HIS 111 1.507 1.112 5.375 846 HE1 HIS 111 1HE HIS 111 4.526 -0.352 2.785 847 HE2 HIS 111 2HE HIS 111 3.936 0.281 5.149 848 H ILE 112 H ILE 112 -0.880 1.614 -0.106 849 HA ILE 112 HA ILE 112 -3.803 1.491 0.161 850 HB ILE 112 HB ILE 112 -2.132 1.667 -2.371 851 HG12 ILE 112 2HG1 ILE 112 -3.675 3.840 -0.937 852 HG13 ILE 112 1HG1 ILE 112 -1.922 3.697 -0.983 853 HG21 ILE 112 1HG2 ILE 112 -5.103 1.992 -1.928 854 HG22 ILE 112 2HG2 ILE 112 -4.312 0.632 -2.724 855 HG23 ILE 112 3HG2 ILE 112 -4.263 2.234 -3.460 856 HD11 ILE 112 3HD1 ILE 112 -2.704 5.379 -2.543 857 HD12 ILE 112 1HD1 ILE 112 -3.724 4.184 -3.345 858 HD13 ILE 112 2HD1 ILE 112 -1.968 4.028 -3.406 859 H ILE 113 H ILE 113 -4.814 -0.443 -0.060 860 HA ILE 113 HA ILE 113 -3.111 -2.724 -0.793 861 HB ILE 113 HB ILE 113 -5.553 -2.748 0.986 862 HG12 ILE 113 2HG1 ILE 113 -2.616 -2.934 1.691 863 HG13 ILE 113 1HG1 ILE 113 -3.667 -1.561 2.018 864 HG21 ILE 113 1HG2 ILE 113 -3.533 -4.906 0.371 865 HG22 ILE 113 2HG2 ILE 113 -5.200 -4.855 -0.201 866 HG23 ILE 113 3HG2 ILE 113 -4.865 -5.037 1.520 867 HD11 ILE 113 3HD1 ILE 113 -3.329 -2.887 4.007 868 HD12 ILE 113 1HD1 ILE 113 -3.936 -4.321 3.179 869 HD13 ILE 113 2HD1 ILE 113 -5.016 -2.963 3.495 870 H LEU 114 H LEU 114 -3.516 -3.390 -2.755 871 HA LEU 114 HA LEU 114 -6.319 -3.688 -3.600 872 HB2 LEU 114 2HB LEU 114 -5.179 -2.052 -4.989 873 HB3 LEU 114 1HB LEU 114 -3.846 -3.155 -5.256 874 HG LEU 114 HG LEU 114 -5.351 -4.644 -6.536 875 HD11 LEU 114 1HD1 LEU 114 -7.459 -4.003 -5.437 876 HD12 LEU 114 2HD1 LEU 114 -7.551 -3.899 -7.195 877 HD13 LEU 114 3HD1 LEU 114 -7.372 -2.431 -6.236 878 HD21 LEU 114 3HD2 LEU 114 -5.564 -3.193 -8.500 879 HD22 LEU 114 1HD2 LEU 114 -4.005 -2.992 -7.701 880 HD23 LEU 114 2HD2 LEU 114 -5.270 -1.784 -7.482 881 H ARG 115 H ARG 115 -6.888 -5.768 -3.500 882 HA ARG 115 HA ARG 115 -4.795 -7.799 -3.673 883 HB2 ARG 115 2HB ARG 115 -7.574 -7.794 -2.589 884 HB3 ARG 115 1HB ARG 115 -6.815 -9.315 -3.037 885 HG2 ARG 115 2HG ARG 115 -4.935 -8.761 -1.527 886 HG3 ARG 115 1HG ARG 115 -5.830 -7.329 -1.011 887 HD2 ARG 115 2HD ARG 115 -6.079 -9.284 0.505 888 HD3 ARG 115 1HD ARG 115 -7.600 -8.669 -0.137 889 HE ARG 115 HE ARG 115 -6.570 -10.784 -1.755 890 HH11 ARG 115 1HH1 ARG 115 -8.150 -10.195 1.319 891 HH12 ARG 115 2HH1 ARG 115 -9.044 -11.679 1.288 892 HH21 ARG 115 1HH2 ARG 115 -7.750 -12.735 -1.813 893 HH22 ARG 115 2HH2 ARG 115 -8.826 -13.128 -0.509 894 H THR 116 H THR 116 -4.447 -8.934 -5.413 895 HA THR 116 HA THR 116 -6.378 -8.850 -7.572 896 HB THR 116 HB THR 116 -4.514 -10.160 -8.772 897 HG1 THR 116 1HG THR 116 -2.483 -9.301 -7.412 898 HG21 THR 116 3HG2 THR 116 -4.951 -7.780 -9.166 899 HG22 THR 116 1HG2 THR 116 -3.219 -8.110 -9.176 900 HG23 THR 116 2HG2 THR 116 -3.966 -7.362 -7.764 901 H GLU 117 H GLU 117 -5.368 -10.935 -5.040 902 HA GLU 117 HA GLU 117 -7.283 -12.905 -5.959 903 HB2 GLU 117 2HB GLU 117 -5.861 -14.814 -5.505 904 HB3 GLU 117 1HB GLU 117 -5.084 -13.786 -6.695 905 HG2 GLU 117 2HG GLU 117 -3.550 -12.959 -5.056 906 HG3 GLU 117 1HG GLU 117 -4.402 -13.800 -3.763 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -18.123 -27.866 -1.157 2 H2 GLY 1 2HT GLY 1 -19.803 -27.959 -1.011 3 H3 GLY 1 3HT GLY 1 -18.883 -29.377 -1.087 4 HA2 GLY 1 1HA GLY 1 -19.602 -28.952 1.160 5 HA3 GLY 1 2HA GLY 1 -17.852 -28.867 1.010 6 H SER 2 H SER 2 -17.226 -27.388 2.440 7 HA SER 2 HA SER 2 -18.748 -24.903 2.660 8 HB2 SER 2 2HB SER 2 -16.525 -25.916 4.441 9 HB3 SER 2 1HB SER 2 -17.629 -24.580 4.770 10 HG SER 2 HG SER 2 -17.950 -27.208 5.223 11 H HIS 3 H HIS 3 -17.884 -22.969 2.102 12 HA HIS 3 HA HIS 3 -15.551 -22.909 0.466 13 HB2 HIS 3 2HB HIS 3 -17.190 -20.669 1.679 14 HB3 HIS 3 1HB HIS 3 -15.868 -20.419 0.550 15 HD1 HIS 3 1HD HIS 3 -19.420 -20.750 0.636 16 HD2 HIS 3 2HD HIS 3 -16.435 -21.877 -2.021 17 HE1 HIS 3 1HE HIS 3 -20.582 -21.142 -1.557 18 HE2 HIS 3 2HE HIS 3 -18.725 -21.619 -3.185 19 H MET 4 H MET 4 -13.530 -21.999 0.933 20 HA MET 4 HA MET 4 -13.007 -21.713 3.809 21 HB2 MET 4 2HB MET 4 -11.219 -22.976 1.731 22 HB3 MET 4 1HB MET 4 -10.803 -22.730 3.421 23 HG2 MET 4 2HG MET 4 -12.573 -24.236 4.103 24 HG3 MET 4 1HG MET 4 -13.066 -24.443 2.424 25 HE1 MET 4 3HE MET 4 -11.550 -27.933 3.233 26 HE2 MET 4 1HE MET 4 -12.934 -27.056 2.582 27 HE3 MET 4 2HE MET 4 -12.518 -26.907 4.289 28 H GLU 5 H GLU 5 -12.290 -19.808 4.356 29 HA GLU 5 HA GLU 5 -11.390 -17.870 2.488 30 HB2 GLU 5 2HB GLU 5 -12.491 -17.187 4.547 31 HB3 GLU 5 1HB GLU 5 -11.260 -17.983 5.513 32 HG2 GLU 5 2HG GLU 5 -9.597 -16.383 4.702 33 HG3 GLU 5 1HG GLU 5 -10.843 -15.586 3.742 34 HA PRO 6 HA PRO 6 -7.275 -19.485 2.105 35 HB2 PRO 6 2HB PRO 6 -6.125 -17.269 0.973 36 HB3 PRO 6 1HB PRO 6 -7.102 -18.439 0.079 37 HG2 PRO 6 2HG PRO 6 -7.886 -15.785 1.209 38 HG3 PRO 6 1HG PRO 6 -8.316 -16.509 -0.352 39 HD2 PRO 6 2HD PRO 6 -10.016 -16.487 1.734 40 HD3 PRO 6 1HD PRO 6 -9.964 -17.833 0.579 41 H ALA 7 H ALA 7 -5.384 -19.429 3.206 42 HA ALA 7 HA ALA 7 -5.191 -17.562 5.428 43 HB1 ALA 7 1HB ALA 7 -4.832 -19.943 5.856 44 HB2 ALA 7 2HB ALA 7 -3.373 -19.012 6.194 45 HB3 ALA 7 3HB ALA 7 -3.495 -19.953 4.707 46 H ARG 8 H ARG 8 -3.799 -18.267 2.369 47 HA ARG 8 HA ARG 8 -1.813 -16.139 2.733 48 HB2 ARG 8 2HB ARG 8 -1.875 -18.458 0.800 49 HB3 ARG 8 1HB ARG 8 -0.735 -17.127 0.681 50 HG2 ARG 8 2HG ARG 8 0.152 -17.696 2.887 51 HG3 ARG 8 1HG ARG 8 -0.985 -19.043 2.986 52 HD2 ARG 8 2HD ARG 8 0.030 -20.096 1.071 53 HD3 ARG 8 1HD ARG 8 1.091 -18.710 0.827 54 HE ARG 8 HE ARG 8 1.893 -19.360 3.206 55 HH11 ARG 8 1HH1 ARG 8 0.921 -21.606 0.689 56 HH12 ARG 8 2HH1 ARG 8 2.006 -22.852 1.190 57 HH21 ARG 8 1HH2 ARG 8 3.353 -21.025 3.872 58 HH22 ARG 8 2HH2 ARG 8 3.382 -22.525 3.010 59 H VAL 9 H VAL 9 -2.961 -14.369 2.228 60 HA VAL 9 HA VAL 9 -4.538 -14.353 -0.229 61 HB VAL 9 HB VAL 9 -5.321 -12.116 0.530 62 HG11 VAL 9 1HG1 VAL 9 -5.636 -14.345 2.536 63 HG12 VAL 9 2HG1 VAL 9 -6.611 -14.089 1.089 64 HG13 VAL 9 3HG1 VAL 9 -6.678 -12.928 2.414 65 HG21 VAL 9 3HG2 VAL 9 -4.825 -11.380 2.822 66 HG22 VAL 9 1HG2 VAL 9 -3.365 -11.447 1.835 67 HG23 VAL 9 2HG2 VAL 9 -3.697 -12.722 3.006 68 H ARG 10 H ARG 10 -4.132 -12.937 -1.930 69 HA ARG 10 HA ARG 10 -1.395 -11.907 -1.953 70 HB2 ARG 10 2HB ARG 10 -1.982 -13.440 -3.777 71 HB3 ARG 10 1HB ARG 10 -3.308 -12.377 -4.233 72 HG2 ARG 10 2HG ARG 10 -1.747 -10.613 -4.789 73 HG3 ARG 10 1HG ARG 10 -0.398 -11.625 -4.279 74 HD2 ARG 10 2HD ARG 10 -0.910 -13.221 -6.038 75 HD3 ARG 10 1HD ARG 10 -2.307 -12.258 -6.523 76 HE ARG 10 HE ARG 10 0.039 -10.671 -6.552 77 HH11 ARG 10 1HH1 ARG 10 -1.550 -13.241 -8.372 78 HH12 ARG 10 2HH1 ARG 10 -0.828 -12.765 -9.874 79 HH21 ARG 10 1HH2 ARG 10 0.962 -10.069 -8.549 80 HH22 ARG 10 2HH2 ARG 10 0.600 -10.971 -9.979 81 H CYS 11 H CYS 11 -1.270 -9.906 -1.313 82 HA CYS 11 HA CYS 11 -3.332 -8.027 -2.224 83 HB2 CYS 11 2HB CYS 11 -1.612 -7.805 0.248 84 HB3 CYS 11 1HB CYS 11 -2.895 -6.709 -0.241 85 HG CYS 11 HG CYS 11 -3.772 -8.209 1.930 86 H SER 12 H SER 12 -2.682 -6.452 -3.498 87 HA SER 12 HA SER 12 0.166 -5.957 -3.806 88 HB2 SER 12 2HB SER 12 -2.208 -4.837 -5.334 89 HB3 SER 12 1HB SER 12 -0.508 -4.637 -5.766 90 HG SER 12 HG SER 12 -1.021 -7.241 -5.440 91 H HIS 13 H HIS 13 1.080 -3.999 -3.211 92 HA HIS 13 HA HIS 13 -0.690 -2.264 -1.636 93 HB2 HIS 13 2HB HIS 13 0.950 -2.123 0.168 94 HB3 HIS 13 1HB HIS 13 0.468 -3.790 -0.098 95 HD1 HIS 13 1HD HIS 13 3.194 -2.812 1.285 96 HD2 HIS 13 2HD HIS 13 2.768 -4.213 -2.603 97 HE1 HIS 13 1HE HIS 13 5.475 -3.575 0.581 98 HE2 HIS 13 2HE HIS 13 5.203 -4.374 -1.795 99 H LEU 14 H LEU 14 -0.574 -0.231 -2.132 100 HA LEU 14 HA LEU 14 1.860 0.803 -3.408 101 HB2 LEU 14 2HB LEU 14 -0.512 1.115 -4.418 102 HB3 LEU 14 1HB LEU 14 -0.778 2.249 -3.112 103 HG LEU 14 HG LEU 14 1.480 2.583 -5.083 104 HD11 LEU 14 1HD1 LEU 14 -1.311 3.707 -5.262 105 HD12 LEU 14 2HD1 LEU 14 -0.599 2.506 -6.338 106 HD13 LEU 14 3HD1 LEU 14 0.047 4.145 -6.295 107 HD21 LEU 14 3HD2 LEU 14 1.357 4.928 -4.384 108 HD22 LEU 14 1HD2 LEU 14 1.664 3.865 -3.010 109 HD23 LEU 14 2HD2 LEU 14 0.051 4.529 -3.268 110 H LEU 15 H LEU 15 3.206 1.943 -2.154 111 HA LEU 15 HA LEU 15 2.137 2.901 0.413 112 HB2 LEU 15 2HB LEU 15 3.472 1.028 0.901 113 HB3 LEU 15 1HB LEU 15 4.733 1.537 -0.204 114 HG LEU 15 HG LEU 15 5.264 3.425 1.308 115 HD11 LEU 15 1HD1 LEU 15 3.263 2.124 3.143 116 HD12 LEU 15 2HD1 LEU 15 3.108 3.705 2.377 117 HD13 LEU 15 3HD1 LEU 15 4.366 3.428 3.580 118 HD21 LEU 15 3HD2 LEU 15 6.314 2.070 3.058 119 HD22 LEU 15 1HD2 LEU 15 6.525 1.365 1.456 120 HD23 LEU 15 2HD2 LEU 15 5.333 0.690 2.565 121 H VAL 16 H VAL 16 2.228 4.964 0.684 122 HA VAL 16 HA VAL 16 4.484 6.461 -0.453 123 HB VAL 16 HB VAL 16 1.671 7.442 0.148 124 HG11 VAL 16 1HG1 VAL 16 4.054 9.023 -0.824 125 HG12 VAL 16 2HG1 VAL 16 3.346 9.120 0.788 126 HG13 VAL 16 3HG1 VAL 16 2.413 9.636 -0.616 127 HG21 VAL 16 3HG2 VAL 16 3.216 7.266 -2.441 128 HG22 VAL 16 1HG2 VAL 16 1.602 7.951 -2.252 129 HG23 VAL 16 2HG2 VAL 16 1.870 6.232 -1.963 130 H LYS 17 H LYS 17 5.897 6.872 1.066 131 HA LYS 17 HA LYS 17 5.118 6.776 3.846 132 HB2 LYS 17 2HB LYS 17 7.800 7.166 2.527 133 HB3 LYS 17 1HB LYS 17 7.567 7.148 4.267 134 HG2 LYS 17 2HG LYS 17 6.738 4.856 4.138 135 HG3 LYS 17 1HG LYS 17 6.946 4.876 2.386 136 HD2 LYS 17 2HD LYS 17 9.356 5.236 2.682 137 HD3 LYS 17 1HD LYS 17 9.144 5.216 4.432 138 HE2 LYS 17 2HE LYS 17 8.493 2.923 2.578 139 HE3 LYS 17 1HE LYS 17 9.970 3.064 3.526 140 HZ1 LYS 17 3HZ LYS 17 8.710 2.940 5.530 141 HZ2 LYS 17 1HZ LYS 17 8.270 1.637 4.554 142 HZ3 LYS 17 2HZ LYS 17 7.241 2.976 4.698 143 H HIS 18 H HIS 18 6.050 8.435 5.333 144 HA HIS 18 HA HIS 18 6.015 11.120 4.240 145 HB2 HIS 18 2HB HIS 18 4.512 11.699 6.348 146 HB3 HIS 18 1HB HIS 18 3.787 11.209 4.826 147 HD1 HIS 18 1HD HIS 18 4.611 9.786 8.264 148 HD2 HIS 18 2HD HIS 18 2.213 8.970 4.964 149 HE1 HIS 18 1HE HIS 18 3.110 7.921 8.965 150 HE2 HIS 18 2HE HIS 18 1.522 7.608 7.054 151 H SER 19 H SER 19 6.612 12.731 5.969 152 HA SER 19 HA SER 19 9.126 12.118 6.944 153 HB2 SER 19 2HB SER 19 8.846 14.235 8.291 154 HB3 SER 19 1HB SER 19 8.528 14.392 6.563 155 HG SER 19 HG SER 19 6.661 15.147 7.144 156 H GLN 20 H GLN 20 6.070 12.287 8.732 157 HA GLN 20 HA GLN 20 7.220 11.420 11.197 158 HB2 GLN 20 2HB GLN 20 4.318 11.316 10.343 159 HB3 GLN 20 1HB GLN 20 4.925 11.233 11.990 160 HG2 GLN 20 2HG GLN 20 5.115 13.604 10.146 161 HG3 GLN 20 1HG GLN 20 3.998 13.420 11.496 162 HE21 GLN 20 1HE2 GLN 20 4.792 13.535 13.594 163 HE22 GLN 20 2HE2 GLN 20 6.327 14.244 13.950 164 H SER 21 H SER 21 8.345 9.518 10.760 165 HA SER 21 HA SER 21 6.830 7.111 10.827 166 HB2 SER 21 2HB SER 21 6.695 7.659 8.388 167 HB3 SER 21 1HB SER 21 8.455 7.634 8.315 168 HG SER 21 HG SER 21 6.778 5.443 9.046 169 H ARG 22 H ARG 22 8.328 5.201 10.840 170 HA ARG 22 HA ARG 22 10.414 5.604 12.646 171 HB2 ARG 22 2HB ARG 22 10.973 3.247 12.298 172 HB3 ARG 22 1HB ARG 22 9.241 3.471 12.449 173 HG2 ARG 22 2HG ARG 22 8.986 3.266 10.034 174 HG3 ARG 22 1HG ARG 22 10.733 3.081 9.860 175 HD2 ARG 22 2HD ARG 22 8.902 1.229 11.387 176 HD3 ARG 22 1HD ARG 22 9.585 0.914 9.793 177 HE ARG 22 HE ARG 22 11.700 1.442 11.530 178 HH11 ARG 22 1HH1 ARG 22 9.215 -1.004 11.110 179 HH12 ARG 22 2HH1 ARG 22 10.158 -2.278 11.797 180 HH21 ARG 22 1HH2 ARG 22 12.961 -0.247 12.458 181 HH22 ARG 22 2HH2 ARG 22 12.299 -1.840 12.577 182 H ARG 23 H ARG 23 10.417 5.490 9.155 183 HA ARG 23 HA ARG 23 12.985 6.734 9.079 184 HB2 ARG 23 2HB ARG 23 13.599 4.329 9.320 185 HB3 ARG 23 1HB ARG 23 12.739 3.996 7.823 186 HG2 ARG 23 2HG ARG 23 14.271 5.294 6.558 187 HG3 ARG 23 1HG ARG 23 15.022 5.929 8.020 188 HD2 ARG 23 2HD ARG 23 15.736 3.629 8.594 189 HD3 ARG 23 1HD ARG 23 15.086 3.079 7.050 190 HE ARG 23 HE ARG 23 16.975 5.232 6.811 191 HH11 ARG 23 1HH1 ARG 23 16.618 1.759 7.045 192 HH12 ARG 23 2HH1 ARG 23 18.120 1.410 6.262 193 HH21 ARG 23 1HH2 ARG 23 18.986 4.782 5.781 194 HH22 ARG 23 2HH2 ARG 23 19.476 3.137 5.556 195 HA PRO 24 HA PRO 24 10.569 7.983 5.480 196 HB2 PRO 24 2HB PRO 24 11.249 10.559 5.526 197 HB3 PRO 24 1HB PRO 24 10.145 9.896 6.737 198 HG2 PRO 24 2HG PRO 24 13.033 10.595 6.987 199 HG3 PRO 24 1HG PRO 24 11.729 10.766 8.172 200 HD2 PRO 24 2HD PRO 24 13.599 8.675 8.066 201 HD3 PRO 24 1HD PRO 24 12.088 8.679 8.995 202 H SER 25 H SER 25 12.881 6.538 4.985 203 HA SER 25 HA SER 25 14.124 8.135 2.864 204 HB2 SER 25 2HB SER 25 15.618 6.280 4.736 205 HB3 SER 25 1HB SER 25 16.317 7.164 3.379 206 HG SER 25 HG SER 25 15.695 9.109 4.445 207 H SER 26 H SER 26 14.367 7.091 0.947 208 HA SER 26 HA SER 26 14.343 4.228 0.736 209 HB2 SER 26 2HB SER 26 11.906 4.805 1.060 210 HB3 SER 26 1HB SER 26 11.987 5.752 -0.423 211 H TRP 27 H TRP 27 13.726 3.928 -1.918 212 HA TRP 27 HA TRP 27 15.973 5.179 -3.197 213 HB2 TRP 27 2HB TRP 27 15.386 3.864 -5.161 214 HB3 TRP 27 1HB TRP 27 15.292 2.848 -3.730 215 HD1 TRP 27 HD TRP 27 12.829 2.032 -2.973 216 HE1 TRP 27 1HE TRP 27 10.622 1.828 -4.285 217 HE3 TRP 27 3HE TRP 27 14.006 4.949 -7.008 218 HZ2 TRP 27 2HZ TRP 27 9.527 2.781 -6.704 219 HZ3 TRP 27 3HZ TRP 27 12.321 5.249 -8.776 220 HH2 TRP 27 HH TRP 27 10.128 4.186 -8.625 221 H ARG 28 H ARG 28 12.618 5.781 -2.933 222 HA ARG 28 HA ARG 28 12.234 7.431 -5.193 223 HB2 ARG 28 2HB ARG 28 10.829 7.211 -2.539 224 HB3 ARG 28 1HB ARG 28 10.313 8.340 -3.783 225 HG2 ARG 28 2HG ARG 28 10.634 5.475 -4.514 226 HG3 ARG 28 1HG ARG 28 9.229 5.966 -3.564 227 HD2 ARG 28 2HD ARG 28 10.052 7.240 -6.163 228 HD3 ARG 28 1HD ARG 28 8.836 5.969 -6.017 229 HE ARG 28 HE ARG 28 7.852 7.727 -4.320 230 HH11 ARG 28 1HH1 ARG 28 9.165 8.264 -7.528 231 HH12 ARG 28 2HH1 ARG 28 8.215 9.677 -7.816 232 HH21 ARG 28 1HH2 ARG 28 6.583 9.573 -4.698 233 HH22 ARG 28 2HH2 ARG 28 6.738 10.437 -6.191 234 H GLN 29 H GLN 29 12.784 8.248 -1.773 235 HA GLN 29 HA GLN 29 14.217 10.645 -2.611 236 HB2 GLN 29 2HB GLN 29 11.951 10.638 -0.609 237 HB3 GLN 29 1HB GLN 29 13.036 11.991 -0.877 238 HG2 GLN 29 2HG GLN 29 12.249 12.090 -3.224 239 HG3 GLN 29 1HG GLN 29 11.088 10.820 -2.847 240 HE21 GLN 29 1HE2 GLN 29 10.624 11.889 -0.157 241 HE22 GLN 29 2HE2 GLN 29 9.637 13.292 -0.369 242 H GLU 30 H GLU 30 15.834 11.274 -1.205 243 HA GLU 30 HA GLU 30 16.829 9.278 0.575 244 HB2 GLU 30 2HB GLU 30 18.302 10.803 -0.717 245 HB3 GLU 30 1HB GLU 30 17.704 12.156 0.231 246 HG2 GLU 30 2HG GLU 30 18.636 11.140 2.254 247 HG3 GLU 30 1HG GLU 30 19.253 9.801 1.289 248 H LYS 31 H LYS 31 15.204 12.362 0.907 249 HA LYS 31 HA LYS 31 14.518 11.610 3.639 250 HB2 LYS 31 2HB LYS 31 14.689 13.995 4.330 251 HB3 LYS 31 1HB LYS 31 16.236 13.288 3.898 252 HG2 LYS 31 2HG LYS 31 16.188 14.424 1.755 253 HG3 LYS 31 1HG LYS 31 14.588 15.076 2.116 254 HD2 LYS 31 2HD LYS 31 15.557 16.226 4.084 255 HD3 LYS 31 1HD LYS 31 17.151 15.650 3.596 256 HE2 LYS 31 2HE LYS 31 16.938 16.861 1.481 257 HE3 LYS 31 1HE LYS 31 15.338 17.422 1.965 258 HZ1 LYS 31 3HZ LYS 31 17.009 19.109 2.369 259 HZ2 LYS 31 1HZ LYS 31 17.880 18.046 3.355 260 HZ3 LYS 31 2HZ LYS 31 16.348 18.576 3.829 261 H ILE 32 H ILE 32 12.453 11.146 3.466 262 HA ILE 32 HA ILE 32 10.755 12.502 1.587 263 HB ILE 32 HB ILE 32 10.054 10.457 3.707 264 HG12 ILE 32 2HG1 ILE 32 10.486 10.128 0.730 265 HG13 ILE 32 1HG1 ILE 32 11.648 9.668 1.969 266 HG21 ILE 32 1HG2 ILE 32 8.452 11.451 1.349 267 HG22 ILE 32 2HG2 ILE 32 8.122 11.804 3.045 268 HG23 ILE 32 3HG2 ILE 32 7.978 10.152 2.444 269 HD11 ILE 32 3HD1 ILE 32 10.447 7.742 1.162 270 HD12 ILE 32 1HD1 ILE 32 8.909 8.506 1.561 271 HD13 ILE 32 2HD1 ILE 32 10.029 8.053 2.847 272 H THR 33 H THR 33 10.527 14.590 2.131 273 HA THR 33 HA THR 33 9.847 15.317 4.849 274 HB THR 33 HB THR 33 9.977 17.672 3.885 275 HG1 THR 33 1HG THR 33 10.001 17.681 1.765 276 HG21 THR 33 3HG2 THR 33 12.439 17.644 3.822 277 HG22 THR 33 1HG2 THR 33 12.409 15.886 3.684 278 HG23 THR 33 2HG2 THR 33 11.815 16.666 5.150 279 H ARG 34 H ARG 34 7.958 13.893 2.985 280 HA ARG 34 HA ARG 34 5.842 15.791 2.474 281 HB2 ARG 34 2HB ARG 34 5.608 12.782 2.573 282 HB3 ARG 34 1HB ARG 34 4.513 13.906 1.792 283 HG2 ARG 34 2HG ARG 34 6.232 14.436 0.147 284 HG3 ARG 34 1HG ARG 34 7.333 13.306 0.945 285 HD2 ARG 34 2HD ARG 34 5.437 11.590 0.617 286 HD3 ARG 34 1HD ARG 34 4.812 12.733 -0.565 287 HE ARG 34 HE ARG 34 6.951 12.485 -1.747 288 HH11 ARG 34 1HH1 ARG 34 5.962 9.988 0.530 289 HH12 ARG 34 2HH1 ARG 34 6.896 8.746 -0.235 290 HH21 ARG 34 1HH2 ARG 34 8.228 10.818 -2.723 291 HH22 ARG 34 2HH2 ARG 34 8.207 9.217 -2.033 292 H THR 35 H THR 35 4.413 16.461 3.977 293 HA THR 35 HA THR 35 4.395 15.239 6.563 294 HB THR 35 HB THR 35 4.026 17.682 6.305 295 HG1 THR 35 1HG THR 35 2.681 17.717 7.975 296 HG21 THR 35 3HG2 THR 35 1.852 18.508 5.506 297 HG22 THR 35 1HG2 THR 35 1.397 16.864 5.060 298 HG23 THR 35 2HG2 THR 35 2.734 17.664 4.233 299 H LYS 36 H LYS 36 2.074 14.786 7.518 300 HA LYS 36 HA LYS 36 1.156 12.414 6.341 301 HB2 LYS 36 2HB LYS 36 0.839 12.914 8.714 302 HB3 LYS 36 1HB LYS 36 -0.255 14.228 8.307 303 HG2 LYS 36 2HG LYS 36 -1.741 12.523 7.219 304 HG3 LYS 36 1HG LYS 36 -0.700 11.281 7.916 305 HD2 LYS 36 2HD LYS 36 -1.189 12.099 10.153 306 HD3 LYS 36 1HD LYS 36 -2.177 13.397 9.478 307 HE2 LYS 36 2HE LYS 36 -3.639 11.669 8.453 308 HE3 LYS 36 1HE LYS 36 -2.699 10.435 9.288 309 HZ1 LYS 36 3HZ LYS 36 -4.672 10.947 10.520 310 HZ2 LYS 36 1HZ LYS 36 -4.290 12.592 10.555 311 HZ3 LYS 36 2HZ LYS 36 -3.329 11.481 11.393 312 H GLU 37 H GLU 37 -0.091 15.692 6.214 313 HA GLU 37 HA GLU 37 -2.504 15.208 4.901 314 HB2 GLU 37 2HB GLU 37 -0.806 17.672 4.560 315 HB3 GLU 37 1HB GLU 37 -2.556 17.547 4.453 316 HG2 GLU 37 2HG GLU 37 -0.872 17.262 6.931 317 HG3 GLU 37 1HG GLU 37 -1.948 18.596 6.526 318 H GLU 38 H GLU 38 0.661 16.121 3.558 319 HA GLU 38 HA GLU 38 -0.078 16.159 0.860 320 HB2 GLU 38 2HB GLU 38 2.584 15.625 2.172 321 HB3 GLU 38 1HB GLU 38 2.379 15.784 0.433 322 HG2 GLU 38 2HG GLU 38 1.721 17.892 2.473 323 HG3 GLU 38 1HG GLU 38 3.165 17.849 1.462 324 H ALA 39 H ALA 39 1.294 13.556 2.827 325 HA ALA 39 HA ALA 39 1.479 11.657 0.762 326 HB1 ALA 39 1HB ALA 39 1.673 9.999 2.546 327 HB2 ALA 39 2HB ALA 39 1.117 11.189 3.723 328 HB3 ALA 39 3HB ALA 39 2.656 11.421 2.893 329 H LEU 40 H LEU 40 -1.099 12.399 3.071 330 HA LEU 40 HA LEU 40 -2.797 10.269 2.367 331 HB2 LEU 40 2HB LEU 40 -3.056 11.483 4.445 332 HB3 LEU 40 1HB LEU 40 -3.430 12.956 3.574 333 HG LEU 40 HG LEU 40 -5.521 11.982 2.775 334 HD11 LEU 40 1HD1 LEU 40 -4.686 9.566 4.370 335 HD12 LEU 40 2HD1 LEU 40 -4.897 9.660 2.621 336 HD13 LEU 40 3HD1 LEU 40 -6.292 9.825 3.687 337 HD21 LEU 40 3HD2 LEU 40 -6.689 11.885 4.917 338 HD22 LEU 40 1HD2 LEU 40 -5.512 13.198 4.885 339 HD23 LEU 40 2HD2 LEU 40 -5.146 11.708 5.753 340 H GLU 41 H GLU 41 -2.760 13.674 1.289 341 HA GLU 41 HA GLU 41 -4.964 13.404 -0.445 342 HB2 GLU 41 2HB GLU 41 -2.678 15.366 -0.484 343 HB3 GLU 41 1HB GLU 41 -4.066 15.468 -1.558 344 HG2 GLU 41 2HG GLU 41 -5.499 15.522 0.527 345 HG3 GLU 41 1HG GLU 41 -4.002 15.765 1.426 346 H LEU 42 H LEU 42 -1.553 12.772 -0.888 347 HA LEU 42 HA LEU 42 -1.656 12.439 -3.696 348 HB2 LEU 42 2HB LEU 42 0.415 12.783 -2.320 349 HB3 LEU 42 1HB LEU 42 0.237 11.144 -1.732 350 HG LEU 42 HG LEU 42 0.491 10.316 -4.044 351 HD11 LEU 42 1HD1 LEU 42 1.062 13.209 -4.662 352 HD12 LEU 42 2HD1 LEU 42 -0.286 12.248 -5.272 353 HD13 LEU 42 3HD1 LEU 42 1.365 11.859 -5.754 354 HD21 LEU 42 3HD2 LEU 42 2.900 10.773 -4.220 355 HD22 LEU 42 1HD2 LEU 42 2.416 10.392 -2.567 356 HD23 LEU 42 2HD2 LEU 42 2.730 12.064 -3.030 357 H ILE 43 H ILE 43 -1.922 10.231 -0.947 358 HA ILE 43 HA ILE 43 -2.251 7.831 -2.351 359 HB ILE 43 HB ILE 43 -3.176 8.727 0.377 360 HG12 ILE 43 2HG1 ILE 43 -0.756 8.360 0.005 361 HG13 ILE 43 1HG1 ILE 43 -1.436 7.254 1.193 362 HG21 ILE 43 1HG2 ILE 43 -3.521 5.974 -0.798 363 HG22 ILE 43 2HG2 ILE 43 -4.809 7.097 -0.364 364 HG23 ILE 43 3HG2 ILE 43 -3.780 6.406 0.892 365 HD11 ILE 43 3HD1 ILE 43 -0.760 6.620 -1.672 366 HD12 ILE 43 1HD1 ILE 43 -1.538 5.510 -0.544 367 HD13 ILE 43 2HD1 ILE 43 0.100 6.079 -0.231 368 H ASN 44 H ASN 44 -4.712 10.057 -1.043 369 HA ASN 44 HA ASN 44 -6.979 8.701 -1.952 370 HB2 ASN 44 2HB ASN 44 -6.532 11.660 -1.528 371 HB3 ASN 44 1HB ASN 44 -8.104 10.963 -1.895 372 HD21 ASN 44 1HD2 ASN 44 -7.248 12.433 0.428 373 HD22 ASN 44 2HD2 ASN 44 -7.511 11.408 1.791 374 H GLY 45 H GLY 45 -4.967 11.111 -3.560 375 HA2 GLY 45 2HA GLY 45 -6.483 11.471 -5.873 376 HA3 GLY 45 1HA GLY 45 -4.736 11.652 -5.772 377 H TYR 46 H TYR 46 -3.889 9.125 -5.224 378 HA TYR 46 HA TYR 46 -4.001 7.905 -7.759 379 HB2 TYR 46 2HB TYR 46 -3.007 6.839 -5.114 380 HB3 TYR 46 1HB TYR 46 -2.831 5.977 -6.637 381 HD1 TYR 46 1HD TYR 46 -2.149 8.235 -8.457 382 HD2 TYR 46 2HD TYR 46 -0.799 7.349 -4.519 383 HE1 TYR 46 1HE TYR 46 -0.066 9.446 -8.907 384 HE2 TYR 46 2HE TYR 46 1.292 8.565 -4.963 385 HH TYR 46 HH TYR 46 1.692 10.600 -7.652 386 H ILE 47 H ILE 47 -5.526 7.003 -4.673 387 HA ILE 47 HA ILE 47 -6.778 4.655 -5.481 388 HB ILE 47 HB ILE 47 -7.839 6.734 -3.548 389 HG12 ILE 47 2HG1 ILE 47 -6.262 4.198 -3.061 390 HG13 ILE 47 1HG1 ILE 47 -5.628 5.835 -2.942 391 HG21 ILE 47 1HG2 ILE 47 -8.640 3.843 -3.894 392 HG22 ILE 47 2HG2 ILE 47 -9.624 5.252 -4.294 393 HG23 ILE 47 3HG2 ILE 47 -9.201 4.920 -2.614 394 HD11 ILE 47 3HD1 ILE 47 -6.112 4.903 -0.751 395 HD12 ILE 47 1HD1 ILE 47 -7.795 4.654 -1.217 396 HD13 ILE 47 2HD1 ILE 47 -7.148 6.290 -1.090 397 H GLN 48 H GLN 48 -7.993 7.982 -5.659 398 HA GLN 48 HA GLN 48 -10.492 7.387 -6.768 399 HB2 GLN 48 2HB GLN 48 -8.802 9.869 -7.054 400 HB3 GLN 48 1HB GLN 48 -10.475 9.750 -7.570 401 HG2 GLN 48 2HG GLN 48 -9.401 9.584 -4.771 402 HG3 GLN 48 1HG GLN 48 -10.431 10.837 -5.461 403 HE21 GLN 48 1HE2 GLN 48 -12.618 10.387 -5.821 404 HE22 GLN 48 2HE2 GLN 48 -13.407 9.054 -5.050 405 H LYS 49 H LYS 49 -7.384 8.032 -8.327 406 HA LYS 49 HA LYS 49 -8.437 8.036 -10.959 407 HB2 LYS 49 2HB LYS 49 -5.612 7.604 -9.995 408 HB3 LYS 49 1HB LYS 49 -6.070 7.840 -11.675 409 HG2 LYS 49 2HG LYS 49 -7.018 10.051 -11.035 410 HG3 LYS 49 1HG LYS 49 -6.348 9.811 -9.420 411 HD2 LYS 49 2HD LYS 49 -4.102 9.625 -10.399 412 HD3 LYS 49 1HD LYS 49 -4.792 9.900 -12.001 413 HE2 LYS 49 2HE LYS 49 -5.694 12.081 -11.106 414 HE3 LYS 49 1HE LYS 49 -4.707 11.807 -9.673 415 HZ1 LYS 49 3HZ LYS 49 -3.609 13.227 -11.309 416 HZ2 LYS 49 1HZ LYS 49 -3.667 11.978 -12.446 417 HZ3 LYS 49 2HZ LYS 49 -2.740 11.806 -11.041 418 H ILE 50 H ILE 50 -6.932 5.523 -8.976 419 HA ILE 50 HA ILE 50 -6.870 3.574 -11.031 420 HB ILE 50 HB ILE 50 -7.013 3.084 -8.046 421 HG12 ILE 50 2HG1 ILE 50 -4.571 3.300 -9.820 422 HG13 ILE 50 1HG1 ILE 50 -5.145 4.592 -8.773 423 HG21 ILE 50 1HG2 ILE 50 -6.069 1.355 -10.334 424 HG22 ILE 50 2HG2 ILE 50 -7.491 1.083 -9.327 425 HG23 ILE 50 3HG2 ILE 50 -5.876 0.962 -8.628 426 HD11 ILE 50 3HD1 ILE 50 -3.327 3.419 -7.720 427 HD12 ILE 50 1HD1 ILE 50 -4.172 1.884 -7.914 428 HD13 ILE 50 2HD1 ILE 50 -4.820 3.116 -6.832 429 H LYS 51 H LYS 51 -9.247 4.318 -8.505 430 HA LYS 51 HA LYS 51 -11.000 2.189 -9.125 431 HB2 LYS 51 2HB LYS 51 -11.297 4.749 -7.604 432 HB3 LYS 51 1HB LYS 51 -12.720 3.788 -7.974 433 HG2 LYS 51 2HG LYS 51 -10.302 2.760 -6.497 434 HG3 LYS 51 1HG LYS 51 -11.782 3.343 -5.730 435 HD2 LYS 51 2HD LYS 51 -13.043 1.607 -7.014 436 HD3 LYS 51 1HD LYS 51 -11.499 0.975 -7.583 437 HE2 LYS 51 2HE LYS 51 -10.826 0.550 -5.269 438 HE3 LYS 51 1HE LYS 51 -12.372 1.178 -4.703 439 HZ1 LYS 51 3HZ LYS 51 -12.479 -1.218 -4.772 440 HZ2 LYS 51 1HZ LYS 51 -11.960 -1.235 -6.385 441 HZ3 LYS 51 2HZ LYS 51 -13.465 -0.595 -5.994 442 H SER 52 H SER 52 -10.392 5.125 -10.751 443 HA SER 52 HA SER 52 -12.944 4.998 -12.173 444 HB2 SER 52 2HB SER 52 -10.720 7.031 -12.442 445 HB3 SER 52 1HB SER 52 -12.349 7.157 -13.107 446 HG SER 52 HG SER 52 -11.465 7.388 -10.451 447 H GLY 53 H GLY 53 -9.966 3.612 -12.389 448 HA2 GLY 53 2HA GLY 53 -9.064 2.294 -14.061 449 HA3 GLY 53 1HA GLY 53 -10.378 2.798 -15.113 450 H GLU 54 H GLU 54 -8.724 5.345 -13.624 451 HA GLU 54 HA GLU 54 -7.760 6.332 -16.138 452 HB2 GLU 54 2HB GLU 54 -8.648 7.561 -13.939 453 HB3 GLU 54 1HB GLU 54 -6.945 7.534 -13.525 454 HG2 GLU 54 2HG GLU 54 -7.989 8.695 -16.097 455 HG3 GLU 54 1HG GLU 54 -7.809 9.633 -14.620 456 H GLU 55 H GLU 55 -6.259 5.284 -13.098 457 HA GLU 55 HA GLU 55 -3.733 4.889 -14.556 458 HB2 GLU 55 2HB GLU 55 -4.185 5.737 -11.698 459 HB3 GLU 55 1HB GLU 55 -2.620 5.260 -12.341 460 HG2 GLU 55 2HG GLU 55 -4.233 7.496 -13.520 461 HG3 GLU 55 1HG GLU 55 -3.101 7.736 -12.190 462 H ASP 56 H ASP 56 -2.525 3.068 -14.072 463 HA ASP 56 HA ASP 56 -4.019 0.827 -12.997 464 HB2 ASP 56 2HB ASP 56 -2.795 0.442 -15.046 465 HB3 ASP 56 1HB ASP 56 -1.306 1.026 -14.316 466 H PHE 57 H PHE 57 -3.694 -0.106 -11.075 467 HA PHE 57 HA PHE 57 -2.436 1.276 -8.997 468 HB2 PHE 57 2HB PHE 57 -4.278 -0.331 -8.658 469 HB3 PHE 57 1HB PHE 57 -3.208 -1.649 -9.109 470 HD1 PHE 57 1HD PHE 57 -1.322 -2.272 -7.616 471 HD2 PHE 57 2HD PHE 57 -4.257 0.584 -6.469 472 HE1 PHE 57 1HE PHE 57 -0.646 -2.520 -5.269 473 HE2 PHE 57 2HE PHE 57 -3.579 0.341 -4.126 474 HZ PHE 57 HZ PHE 57 -1.773 -1.211 -3.522 475 H GLU 58 H GLU 58 -1.430 -1.702 -10.640 476 HA GLU 58 HA GLU 58 0.925 -2.059 -9.166 477 HB2 GLU 58 2HB GLU 58 0.123 -3.074 -11.891 478 HB3 GLU 58 1HB GLU 58 1.570 -3.605 -11.048 479 HG2 GLU 58 2HG GLU 58 0.151 -4.386 -9.180 480 HG3 GLU 58 1HG GLU 58 -1.273 -3.936 -10.113 481 H SER 59 H SER 59 0.277 -0.229 -12.082 482 HA SER 59 HA SER 59 2.980 0.337 -12.723 483 HB2 SER 59 2HB SER 59 0.517 1.990 -13.334 484 HB3 SER 59 1HB SER 59 2.081 2.115 -14.139 485 HG SER 59 HG SER 59 0.556 -0.278 -14.070 486 H LEU 60 H LEU 60 0.522 2.136 -10.877 487 HA LEU 60 HA LEU 60 2.170 4.337 -10.257 488 HB2 LEU 60 2HB LEU 60 -0.230 3.222 -8.818 489 HB3 LEU 60 1HB LEU 60 0.545 4.735 -8.395 490 HG LEU 60 HG LEU 60 -0.802 4.127 -11.027 491 HD11 LEU 60 1HD1 LEU 60 -1.635 5.828 -8.686 492 HD12 LEU 60 2HD1 LEU 60 -2.411 4.348 -9.253 493 HD13 LEU 60 3HD1 LEU 60 -2.441 5.799 -10.253 494 HD21 LEU 60 3HD2 LEU 60 -0.492 6.530 -11.463 495 HD22 LEU 60 1HD2 LEU 60 1.045 5.678 -11.324 496 HD23 LEU 60 2HD2 LEU 60 0.460 6.664 -9.985 497 H ALA 61 H ALA 61 1.569 1.293 -8.573 498 HA ALA 61 HA ALA 61 3.106 1.956 -6.274 499 HB1 ALA 61 1HB ALA 61 2.915 -0.398 -5.695 500 HB2 ALA 61 2HB ALA 61 2.347 -0.769 -7.323 501 HB3 ALA 61 3HB ALA 61 1.362 0.227 -6.251 502 H SER 62 H SER 62 3.978 1.147 -9.422 503 HA SER 62 HA SER 62 6.579 0.078 -8.651 504 HB2 SER 62 2HB SER 62 5.200 -0.947 -10.517 505 HB3 SER 62 1HB SER 62 5.481 0.526 -11.435 506 HG SER 62 HG SER 62 7.571 -1.076 -10.373 507 H GLN 63 H GLN 63 5.119 3.037 -9.291 508 HA GLN 63 HA GLN 63 7.654 4.233 -10.201 509 HB2 GLN 63 2HB GLN 63 4.840 5.235 -10.616 510 HB3 GLN 63 1HB GLN 63 6.298 6.053 -11.155 511 HG2 GLN 63 2HG GLN 63 6.799 4.267 -12.681 512 HG3 GLN 63 1HG GLN 63 5.456 3.310 -12.061 513 HE21 GLN 63 1HE2 GLN 63 3.710 5.668 -11.870 514 HE22 GLN 63 2HE2 GLN 63 3.228 6.031 -13.486 515 H PHE 64 H PHE 64 4.757 4.982 -8.247 516 HA PHE 64 HA PHE 64 6.337 7.060 -6.891 517 HB2 PHE 64 2HB PHE 64 3.340 6.831 -7.160 518 HB3 PHE 64 1HB PHE 64 4.210 8.144 -6.376 519 HD1 PHE 64 1HD PHE 64 5.795 9.536 -7.805 520 HD2 PHE 64 2HD PHE 64 2.891 6.893 -9.445 521 HE1 PHE 64 1HE PHE 64 5.924 10.732 -9.950 522 HE2 PHE 64 2HE PHE 64 3.016 8.083 -11.594 523 HZ PHE 64 HZ PHE 64 4.534 10.004 -11.848 524 H SER 65 H SER 65 6.375 4.240 -6.093 525 HA SER 65 HA SER 65 5.132 4.554 -3.451 526 HB2 SER 65 2HB SER 65 4.305 2.605 -4.783 527 HB3 SER 65 1HB SER 65 5.941 1.947 -4.762 528 HG SER 65 HG SER 65 5.170 2.631 -2.275 529 H ASP 66 H ASP 66 6.417 4.718 -1.745 530 HA ASP 66 HA ASP 66 9.288 4.677 -2.127 531 HB2 ASP 66 2HB ASP 66 7.799 5.090 0.472 532 HB3 ASP 66 1HB ASP 66 9.446 5.577 0.094 533 H CYS 67 H CYS 67 9.038 2.318 -2.697 534 HA CYS 67 HA CYS 67 9.878 0.749 -0.435 535 HB2 CYS 67 2HB CYS 67 7.418 0.597 -0.281 536 HB3 CYS 67 1HB CYS 67 7.354 0.013 -1.937 537 HG CYS 67 HG CYS 67 8.893 -1.646 0.630 538 H SER 68 H SER 68 11.003 -1.109 -1.063 539 HA SER 68 HA SER 68 12.085 -1.114 -3.692 540 HB2 SER 68 2HB SER 68 12.277 -3.254 -1.555 541 HB3 SER 68 1HB SER 68 13.349 -3.057 -2.942 542 HG SER 68 HG SER 68 14.158 -1.208 -2.067 543 H SER 69 H SER 69 9.246 -2.316 -2.386 544 HA SER 69 HA SER 69 8.867 -4.679 -3.902 545 HB2 SER 69 2HB SER 69 7.623 -4.057 -1.811 546 HB3 SER 69 1HB SER 69 6.765 -2.834 -2.742 547 HG SER 69 HG SER 69 6.744 -5.638 -3.228 548 H ALA 70 H ALA 70 8.975 -1.428 -4.767 549 HA ALA 70 HA ALA 70 7.016 -1.160 -6.729 550 HB1 ALA 70 1HB ALA 70 8.388 0.644 -7.623 551 HB2 ALA 70 2HB ALA 70 9.767 0.074 -6.684 552 HB3 ALA 70 3HB ALA 70 8.342 0.708 -5.861 553 H LYS 71 H LYS 71 10.140 -2.759 -6.830 554 HA LYS 71 HA LYS 71 10.317 -3.047 -9.638 555 HB2 LYS 71 2HB LYS 71 11.454 -4.820 -7.460 556 HB3 LYS 71 1HB LYS 71 11.915 -4.884 -9.151 557 HG2 LYS 71 2HG LYS 71 12.212 -2.319 -7.651 558 HG3 LYS 71 1HG LYS 71 13.386 -3.607 -7.405 559 HD2 LYS 71 2HD LYS 71 14.226 -2.116 -9.101 560 HD3 LYS 71 1HD LYS 71 13.782 -3.637 -9.871 561 HE2 LYS 71 2HE LYS 71 11.760 -2.679 -10.725 562 HE3 LYS 71 1HE LYS 71 12.008 -1.202 -9.799 563 HZ1 LYS 71 3HZ LYS 71 12.603 -0.896 -12.106 564 HZ2 LYS 71 1HZ LYS 71 13.700 -2.182 -12.031 565 HZ3 LYS 71 2HZ LYS 71 13.987 -0.773 -11.141 566 H ALA 72 H ALA 72 8.647 -4.810 -7.154 567 HA ALA 72 HA ALA 72 7.785 -6.896 -8.990 568 HB1 ALA 72 1HB ALA 72 6.660 -7.829 -7.000 569 HB2 ALA 72 2HB ALA 72 7.191 -6.432 -6.065 570 HB3 ALA 72 3HB ALA 72 8.380 -7.554 -6.727 571 H ARG 73 H ARG 73 7.024 -3.876 -8.815 572 HA ARG 73 HA ARG 73 5.299 -2.549 -9.371 573 HB2 ARG 73 2HB ARG 73 3.743 -5.069 -9.973 574 HB3 ARG 73 1HB ARG 73 3.341 -3.439 -10.487 575 HG2 ARG 73 2HG ARG 73 5.632 -3.482 -11.657 576 HG3 ARG 73 1HG ARG 73 5.520 -5.231 -11.453 577 HD2 ARG 73 2HD ARG 73 3.623 -3.424 -12.938 578 HD3 ARG 73 1HD ARG 73 4.649 -4.686 -13.613 579 HE ARG 73 HE ARG 73 2.687 -5.587 -11.677 580 HH11 ARG 73 1HH1 ARG 73 3.415 -5.060 -15.074 581 HH12 ARG 73 2HH1 ARG 73 2.128 -6.071 -15.635 582 HH21 ARG 73 1HH2 ARG 73 0.986 -6.915 -12.419 583 HH22 ARG 73 2HH2 ARG 73 0.753 -7.148 -14.123 584 H GLY 74 H GLY 74 5.577 -3.828 -6.662 585 HA2 GLY 74 2HA GLY 74 4.544 -3.204 -4.681 586 HA3 GLY 74 1HA GLY 74 3.165 -2.634 -5.607 587 H ASP 75 H ASP 75 4.169 -5.793 -6.399 588 HA ASP 75 HA ASP 75 1.790 -6.828 -5.085 589 HB2 ASP 75 2HB ASP 75 2.048 -7.499 -7.381 590 HB3 ASP 75 1HB ASP 75 3.676 -8.097 -7.073 591 H LEU 76 H LEU 76 1.809 -7.906 -3.254 592 HA LEU 76 HA LEU 76 4.355 -8.614 -2.036 593 HB2 LEU 76 2HB LEU 76 1.528 -8.498 -1.035 594 HB3 LEU 76 1HB LEU 76 2.797 -9.260 -0.100 595 HG LEU 76 HG LEU 76 2.885 -6.382 -0.993 596 HD11 LEU 76 1HD1 LEU 76 0.986 -6.721 0.489 597 HD12 LEU 76 2HD1 LEU 76 2.272 -5.846 1.321 598 HD13 LEU 76 3HD1 LEU 76 2.020 -7.561 1.644 599 HD21 LEU 76 3HD2 LEU 76 4.615 -6.220 0.738 600 HD22 LEU 76 1HD2 LEU 76 5.060 -7.368 -0.523 601 HD23 LEU 76 2HD2 LEU 76 4.476 -7.952 1.035 602 H GLY 77 H GLY 77 1.843 -10.078 -3.790 603 HA2 GLY 77 2HA GLY 77 1.595 -12.270 -4.450 604 HA3 GLY 77 1HA GLY 77 2.995 -12.688 -3.465 605 H ALA 78 H ALA 78 1.349 -14.550 -3.121 606 HA ALA 78 HA ALA 78 -0.698 -13.937 -1.182 607 HB1 ALA 78 1HB ALA 78 -1.183 -16.310 -1.209 608 HB2 ALA 78 2HB ALA 78 0.301 -16.630 -2.102 609 HB3 ALA 78 3HB ALA 78 -1.006 -15.727 -2.865 610 H PHE 79 H PHE 79 -0.134 -13.489 0.823 611 HA PHE 79 HA PHE 79 2.107 -14.989 1.993 612 HB2 PHE 79 2HB PHE 79 2.499 -13.034 3.467 613 HB3 PHE 79 1HB PHE 79 2.708 -12.649 1.765 614 HD1 PHE 79 2HD PHE 79 0.650 -12.114 4.744 615 HD2 PHE 79 1HD PHE 79 1.176 -11.162 0.630 616 HE1 PHE 79 2HE PHE 79 -0.925 -10.239 4.981 617 HE2 PHE 79 1HE PHE 79 -0.394 -9.287 0.861 618 HZ PHE 79 HZ PHE 79 -1.449 -8.823 3.038 619 H SER 80 H SER 80 1.936 -15.668 4.121 620 HA SER 80 HA SER 80 -0.739 -16.270 4.979 621 HB2 SER 80 2HB SER 80 1.924 -16.807 6.326 622 HB3 SER 80 1HB SER 80 0.376 -17.517 6.780 623 HG SER 80 HG SER 80 0.420 -18.788 5.076 624 H ARG 81 H ARG 81 -1.752 -15.488 6.848 625 HA ARG 81 HA ARG 81 -1.113 -12.851 7.613 626 HB2 ARG 81 2HB ARG 81 -2.897 -12.993 9.195 627 HB3 ARG 81 1HB ARG 81 -3.397 -13.877 7.765 628 HG2 ARG 81 2HG ARG 81 -2.851 -15.982 8.889 629 HG3 ARG 81 1HG ARG 81 -2.380 -15.075 10.328 630 HD2 ARG 81 2HD ARG 81 -5.115 -15.224 9.070 631 HD3 ARG 81 1HD ARG 81 -4.623 -15.866 10.636 632 HE ARG 81 HE ARG 81 -4.171 -13.067 10.547 633 HH11 ARG 81 1HH1 ARG 81 -6.754 -15.411 10.825 634 HH12 ARG 81 2HH1 ARG 81 -7.826 -14.322 11.635 635 HH21 ARG 81 1HH2 ARG 81 -5.577 -11.632 11.601 636 HH22 ARG 81 2HH2 ARG 81 -7.159 -12.158 12.082 637 H GLY 82 H GLY 82 -0.469 -12.105 9.762 638 HA2 GLY 82 2HA GLY 82 0.776 -12.353 11.735 639 HA3 GLY 82 1HA GLY 82 1.099 -14.028 11.302 640 H GLN 83 H GLN 83 1.769 -12.999 8.523 641 HA GLN 83 HA GLN 83 4.580 -12.383 9.065 642 HB2 GLN 83 2HB GLN 83 3.167 -13.173 6.507 643 HB3 GLN 83 1HB GLN 83 4.899 -12.922 6.669 644 HG2 GLN 83 2HG GLN 83 3.353 -14.980 8.217 645 HG3 GLN 83 1HG GLN 83 4.175 -15.300 6.691 646 HE21 GLN 83 1HE2 GLN 83 6.390 -15.392 6.638 647 HE22 GLN 83 2HE2 GLN 83 7.358 -15.472 8.066 648 H MET 84 H MET 84 2.017 -10.606 8.953 649 HA MET 84 HA MET 84 3.313 -8.372 7.613 650 HB2 MET 84 2HB MET 84 1.801 -9.390 5.937 651 HB3 MET 84 1HB MET 84 0.460 -9.231 7.057 652 HG2 MET 84 2HG MET 84 0.457 -7.508 5.317 653 HG3 MET 84 1HG MET 84 0.584 -6.832 6.940 654 HE1 MET 84 3HE MET 84 4.163 -7.183 4.032 655 HE2 MET 84 1HE MET 84 2.548 -7.798 3.684 656 HE3 MET 84 2HE MET 84 3.532 -8.561 4.933 657 H GLN 85 H GLN 85 2.280 -6.295 8.239 658 HA GLN 85 HA GLN 85 1.892 -6.178 11.022 659 HB2 GLN 85 2HB GLN 85 1.364 -4.118 8.875 660 HB3 GLN 85 1HB GLN 85 1.312 -3.785 10.601 661 HG2 GLN 85 2HG GLN 85 3.652 -4.336 10.818 662 HG3 GLN 85 1HG GLN 85 3.727 -4.801 9.121 663 HE21 GLN 85 1HE2 GLN 85 5.321 -3.317 8.673 664 HE22 GLN 85 2HE2 GLN 85 5.023 -1.611 8.597 665 H LYS 86 H LYS 86 0.114 -6.010 12.247 666 HA LYS 86 HA LYS 86 -2.160 -7.348 11.481 667 HB2 LYS 86 2HB LYS 86 -1.732 -5.457 13.780 668 HB3 LYS 86 1HB LYS 86 -3.193 -6.419 13.581 669 HG2 LYS 86 2HG LYS 86 -0.435 -7.612 13.682 670 HG3 LYS 86 1HG LYS 86 -1.454 -7.391 15.107 671 HD2 LYS 86 2HD LYS 86 -3.024 -8.943 14.379 672 HD3 LYS 86 1HD LYS 86 -2.508 -8.830 12.698 673 HE2 LYS 86 2HE LYS 86 -0.743 -9.943 14.858 674 HE3 LYS 86 1HE LYS 86 -1.891 -10.941 13.970 675 HZ1 LYS 86 3HZ LYS 86 0.331 -11.018 13.020 676 HZ2 LYS 86 1HZ LYS 86 0.296 -9.352 12.737 677 HZ3 LYS 86 2HZ LYS 86 -0.782 -10.376 11.916 678 HA PRO 87 HA PRO 87 -4.532 -3.020 10.946 679 HB2 PRO 87 2HB PRO 87 -2.183 -1.605 9.763 680 HB3 PRO 87 1HB PRO 87 -3.524 -0.952 10.711 681 HG2 PRO 87 2HG PRO 87 -1.144 -1.276 11.828 682 HG3 PRO 87 1HG PRO 87 -2.620 -1.667 12.730 683 HD2 PRO 87 2HD PRO 87 -0.652 -3.495 11.429 684 HD3 PRO 87 1HD PRO 87 -1.556 -3.699 12.942 685 H PHE 88 H PHE 88 -1.814 -3.994 8.900 686 HA PHE 88 HA PHE 88 -3.211 -3.536 6.429 687 HB2 PHE 88 2HB PHE 88 -0.710 -3.364 6.723 688 HB3 PHE 88 1HB PHE 88 -0.670 -5.111 6.894 689 HD1 PHE 88 1HD PHE 88 -1.471 -6.521 4.927 690 HD2 PHE 88 2HD PHE 88 -0.657 -2.356 4.621 691 HE1 PHE 88 1HE PHE 88 -1.262 -6.746 2.489 692 HE2 PHE 88 2HE PHE 88 -0.452 -2.576 2.179 693 HZ PHE 88 HZ PHE 88 -0.758 -4.775 1.113 694 H GLU 89 H GLU 89 -2.363 -6.260 8.454 695 HA GLU 89 HA GLU 89 -3.124 -8.378 6.804 696 HB2 GLU 89 2HB GLU 89 -1.782 -8.563 8.871 697 HB3 GLU 89 1HB GLU 89 -3.224 -8.219 9.813 698 HG2 GLU 89 2HG GLU 89 -4.255 -10.258 8.803 699 HG3 GLU 89 1HG GLU 89 -2.674 -10.627 8.113 700 H ASP 90 H ASP 90 -4.967 -6.849 9.459 701 HA ASP 90 HA ASP 90 -7.299 -8.367 9.115 702 HB2 ASP 90 2HB ASP 90 -6.926 -5.616 10.296 703 HB3 ASP 90 1HB ASP 90 -8.457 -6.481 10.329 704 H ALA 91 H ALA 91 -6.265 -5.373 7.626 705 HA ALA 91 HA ALA 91 -8.717 -4.768 6.360 706 HB1 ALA 91 1HB ALA 91 -5.918 -3.999 5.537 707 HB2 ALA 91 2HB ALA 91 -6.948 -3.105 6.654 708 HB3 ALA 91 3HB ALA 91 -7.409 -3.256 4.959 709 H SER 92 H SER 92 -5.953 -6.728 5.453 710 HA SER 92 HA SER 92 -6.658 -7.174 2.765 711 HB2 SER 92 2HB SER 92 -5.054 -8.896 4.666 712 HB3 SER 92 1HB SER 92 -5.129 -9.117 2.918 713 HG SER 92 HG SER 92 -4.126 -6.848 4.318 714 H PHE 93 H PHE 93 -7.392 -8.976 5.732 715 HA PHE 93 HA PHE 93 -8.890 -10.962 4.294 716 HB2 PHE 93 2HB PHE 93 -8.496 -10.452 7.237 717 HB3 PHE 93 1HB PHE 93 -9.524 -11.741 6.618 718 HD1 PHE 93 1HD PHE 93 -8.561 -13.616 5.381 719 HD2 PHE 93 2HD PHE 93 -6.114 -10.614 7.136 720 HE1 PHE 93 1HE PHE 93 -6.602 -15.083 5.147 721 HE2 PHE 93 2HE PHE 93 -4.151 -12.074 6.906 722 HZ PHE 93 HZ PHE 93 -4.393 -14.313 5.909 723 H ALA 94 H ALA 94 -9.563 -7.855 5.320 724 HA ALA 94 HA ALA 94 -12.410 -8.271 5.665 725 HB1 ALA 94 1HB ALA 94 -12.522 -5.830 5.889 726 HB2 ALA 94 2HB ALA 94 -10.820 -5.707 5.444 727 HB3 ALA 94 3HB ALA 94 -11.283 -6.504 6.948 728 H LEU 95 H LEU 95 -10.126 -7.452 3.220 729 HA LEU 95 HA LEU 95 -12.125 -6.609 1.303 730 HB2 LEU 95 2HB LEU 95 -9.175 -7.157 0.984 731 HB3 LEU 95 1HB LEU 95 -10.214 -6.494 -0.258 732 HG LEU 95 HG LEU 95 -9.502 -5.158 2.350 733 HD11 LEU 95 1HD1 LEU 95 -7.642 -5.283 0.782 734 HD12 LEU 95 2HD1 LEU 95 -8.229 -3.629 0.934 735 HD13 LEU 95 3HD1 LEU 95 -8.651 -4.586 -0.484 736 HD21 LEU 95 3HD2 LEU 95 -10.622 -3.196 1.381 737 HD22 LEU 95 1HD2 LEU 95 -11.741 -4.538 1.616 738 HD23 LEU 95 2HD2 LEU 95 -11.126 -4.174 0.004 739 H ARG 96 H ARG 96 -11.605 -7.714 -0.973 740 HA ARG 96 HA ARG 96 -11.374 -10.594 -0.681 741 HB2 ARG 96 2HB ARG 96 -13.414 -10.965 -2.020 742 HB3 ARG 96 1HB ARG 96 -13.760 -10.210 -0.473 743 HG2 ARG 96 2HG ARG 96 -13.860 -8.013 -1.645 744 HG3 ARG 96 1HG ARG 96 -13.699 -8.883 -3.172 745 HD2 ARG 96 2HD ARG 96 -16.033 -8.415 -2.713 746 HD3 ARG 96 1HD ARG 96 -15.731 -10.151 -2.642 747 HE ARG 96 HE ARG 96 -15.448 -9.247 -0.061 748 HH11 ARG 96 1HH1 ARG 96 -17.999 -9.258 -2.462 749 HH12 ARG 96 2HH1 ARG 96 -19.275 -9.287 -1.296 750 HH21 ARG 96 1HH2 ARG 96 -17.124 -9.307 1.487 751 HH22 ARG 96 2HH2 ARG 96 -18.775 -9.336 0.966 752 H THR 97 H THR 97 -11.548 -11.572 -2.981 753 HA THR 97 HA THR 97 -9.439 -10.575 -4.507 754 HB THR 97 HB THR 97 -11.645 -12.429 -5.413 755 HG1 THR 97 1HG THR 97 -9.199 -12.981 -4.017 756 HG21 THR 97 3HG2 THR 97 -9.867 -13.371 -6.849 757 HG22 THR 97 1HG2 THR 97 -8.779 -12.098 -6.301 758 HG23 THR 97 2HG2 THR 97 -10.218 -11.686 -7.233 759 H GLY 98 H GLY 98 -9.457 -8.715 -5.622 760 HA2 GLY 98 2HA GLY 98 -10.093 -7.496 -7.544 761 HA3 GLY 98 1HA GLY 98 -11.695 -8.209 -7.444 762 H GLU 99 H GLU 99 -10.328 -6.985 -4.517 763 HA GLU 99 HA GLU 99 -11.899 -4.528 -4.837 764 HB2 GLU 99 2HB GLU 99 -13.141 -6.191 -3.471 765 HB3 GLU 99 1HB GLU 99 -11.810 -6.208 -2.325 766 HG2 GLU 99 2HG GLU 99 -13.709 -4.811 -1.598 767 HG3 GLU 99 1HG GLU 99 -12.201 -3.911 -1.746 768 H MET 100 H MET 100 -11.285 -2.777 -3.468 769 HA MET 100 HA MET 100 -8.490 -2.864 -2.540 770 HB2 MET 100 2HB MET 100 -8.586 -1.826 -4.759 771 HB3 MET 100 1HB MET 100 -9.824 -0.718 -4.196 772 HG2 MET 100 2HG MET 100 -8.174 0.205 -2.582 773 HG3 MET 100 1HG MET 100 -6.948 -0.820 -3.328 774 HE1 MET 100 3HE MET 100 -6.932 0.600 -7.005 775 HE2 MET 100 1HE MET 100 -7.959 -0.696 -6.399 776 HE3 MET 100 2HE MET 100 -6.263 -0.618 -5.921 777 H SER 101 H SER 101 -8.064 -1.610 -0.728 778 HA SER 101 HA SER 101 -10.395 -0.714 0.771 779 HB2 SER 101 2HB SER 101 -8.761 -0.492 2.641 780 HB3 SER 101 1HB SER 101 -8.788 -2.112 1.952 781 HG SER 101 HG SER 101 -6.827 -0.118 1.787 782 H GLY 102 H GLY 102 -9.575 1.277 2.298 783 HA2 GLY 102 2HA GLY 102 -9.015 3.440 0.420 784 HA3 GLY 102 1HA GLY 102 -9.627 3.619 2.063 785 HA PRO 103 HA PRO 103 -5.116 4.602 2.230 786 HB2 PRO 103 2HB PRO 103 -5.372 6.663 3.992 787 HB3 PRO 103 1HB PRO 103 -5.517 6.870 2.243 788 HG2 PRO 103 2HG PRO 103 -7.666 6.640 4.309 789 HG3 PRO 103 1HG PRO 103 -7.576 7.710 2.899 790 HD2 PRO 103 2HD PRO 103 -9.062 5.437 2.939 791 HD3 PRO 103 1HD PRO 103 -8.323 6.080 1.459 792 H VAL 104 H VAL 104 -4.407 2.867 3.377 793 HA VAL 104 HA VAL 104 -5.303 2.452 6.112 794 HB VAL 104 HB VAL 104 -3.321 0.856 4.463 795 HG11 VAL 104 1HG1 VAL 104 -4.693 0.167 7.062 796 HG12 VAL 104 2HG1 VAL 104 -2.989 0.573 6.867 797 HG13 VAL 104 3HG1 VAL 104 -3.633 -0.897 6.137 798 HG21 VAL 104 3HG2 VAL 104 -6.238 0.336 5.036 799 HG22 VAL 104 1HG2 VAL 104 -5.147 -0.755 4.182 800 HG23 VAL 104 2HG2 VAL 104 -5.553 0.811 3.482 801 H PHE 105 H PHE 105 -4.379 3.632 7.627 802 HA PHE 105 HA PHE 105 -1.733 4.729 7.286 803 HB2 PHE 105 2HB PHE 105 -3.694 4.945 9.579 804 HB3 PHE 105 1HB PHE 105 -2.172 5.818 9.474 805 HD1 PHE 105 2HD PHE 105 -1.906 7.667 7.925 806 HD2 PHE 105 1HD PHE 105 -5.591 5.567 8.220 807 HE1 PHE 105 2HE PHE 105 -3.038 9.487 6.719 808 HE2 PHE 105 1HE PHE 105 -6.729 7.381 7.015 809 HZ PHE 105 HZ PHE 105 -5.454 9.343 6.265 810 H THR 106 H THR 106 0.073 3.807 7.945 811 HA THR 106 HA THR 106 0.057 2.101 10.329 812 HB THR 106 HB THR 106 1.636 0.516 9.248 813 HG1 THR 106 1HG THR 106 1.257 2.289 7.121 814 HG21 THR 106 3HG2 THR 106 0.011 -0.673 7.840 815 HG22 THR 106 1HG2 THR 106 -0.994 0.774 7.780 816 HG23 THR 106 2HG2 THR 106 -0.744 -0.062 9.312 817 H ASP 107 H ASP 107 2.440 1.653 10.959 818 HA ASP 107 HA ASP 107 3.719 4.153 11.328 819 HB2 ASP 107 2HB ASP 107 4.747 1.351 11.801 820 HB3 ASP 107 1HB ASP 107 5.556 2.817 12.346 821 H SER 108 H SER 108 3.958 1.740 8.899 822 HA SER 108 HA SER 108 6.531 2.583 7.906 823 HB2 SER 108 2HB SER 108 4.517 0.809 6.529 824 HB3 SER 108 1HB SER 108 6.264 0.856 6.291 825 HG SER 108 HG SER 108 6.575 -0.192 8.151 826 H GLY 109 H GLY 109 3.455 3.843 7.727 827 HA2 GLY 109 2HA GLY 109 3.376 5.976 6.432 828 HA3 GLY 109 1HA GLY 109 3.948 5.027 5.065 829 H ILE 110 H ILE 110 1.944 5.934 4.070 830 HA ILE 110 HA ILE 110 -0.498 4.612 4.985 831 HB ILE 110 HB ILE 110 -0.187 6.653 2.769 832 HG12 ILE 110 2HG1 ILE 110 -1.085 7.075 5.630 833 HG13 ILE 110 1HG1 ILE 110 0.486 7.543 4.991 834 HG21 ILE 110 1HG2 ILE 110 -2.621 5.636 4.244 835 HG22 ILE 110 2HG2 ILE 110 -2.197 5.289 2.568 836 HG23 ILE 110 3HG2 ILE 110 -2.622 6.932 3.049 837 HD11 ILE 110 3HD1 ILE 110 -1.004 9.445 5.128 838 HD12 ILE 110 1HD1 ILE 110 -2.181 8.619 4.107 839 HD13 ILE 110 2HD1 ILE 110 -0.614 9.086 3.446 840 H HIS 111 H HIS 111 -1.381 2.937 3.927 841 HA HIS 111 HA HIS 111 -0.073 2.102 1.412 842 HB2 HIS 111 2HB HIS 111 -1.251 0.362 3.581 843 HB3 HIS 111 1HB HIS 111 -0.650 -0.224 2.041 844 HD1 HIS 111 1HD HIS 111 1.831 -0.631 1.858 845 HD2 HIS 111 2HD HIS 111 0.749 1.282 5.366 846 HE1 HIS 111 1HE HIS 111 3.864 -0.728 3.323 847 HE2 HIS 111 2HE HIS 111 3.013 0.078 5.541 848 H ILE 112 H ILE 112 -1.297 1.456 -0.246 849 HA ILE 112 HA ILE 112 -4.222 1.444 0.091 850 HB ILE 112 HB ILE 112 -2.682 1.541 -2.520 851 HG12 ILE 112 2HG1 ILE 112 -3.922 3.868 -1.035 852 HG13 ILE 112 1HG1 ILE 112 -2.195 3.542 -1.121 853 HG21 ILE 112 1HG2 ILE 112 -5.553 2.198 -1.858 854 HG22 ILE 112 2HG2 ILE 112 -4.994 0.721 -2.639 855 HG23 ILE 112 3HG2 ILE 112 -4.814 2.273 -3.458 856 HD11 ILE 112 3HD1 ILE 112 -2.850 5.277 -2.692 857 HD12 ILE 112 1HD1 ILE 112 -3.989 4.169 -3.456 858 HD13 ILE 112 2HD1 ILE 112 -2.257 3.849 -3.537 859 H ILE 113 H ILE 113 -5.159 -0.547 0.019 860 HA ILE 113 HA ILE 113 -3.422 -2.778 -0.772 861 HB ILE 113 HB ILE 113 -5.884 -2.899 0.975 862 HG12 ILE 113 2HG1 ILE 113 -2.965 -2.909 1.775 863 HG13 ILE 113 1HG1 ILE 113 -4.079 -1.568 2.017 864 HG21 ILE 113 1HG2 ILE 113 -3.707 -4.921 0.443 865 HG22 ILE 113 2HG2 ILE 113 -5.363 -4.998 -0.158 866 HG23 ILE 113 3HG2 ILE 113 -5.045 -5.128 1.572 867 HD11 ILE 113 3HD1 ILE 113 -3.753 -2.829 4.065 868 HD12 ILE 113 1HD1 ILE 113 -4.305 -4.298 3.263 869 HD13 ILE 113 2HD1 ILE 113 -5.422 -2.956 3.509 870 H LEU 114 H LEU 114 -3.837 -3.711 -2.620 871 HA LEU 114 HA LEU 114 -6.634 -3.912 -3.520 872 HB2 LEU 114 2HB LEU 114 -5.441 -2.457 -5.029 873 HB3 LEU 114 1HB LEU 114 -4.118 -3.598 -5.158 874 HG LEU 114 HG LEU 114 -5.672 -5.199 -6.278 875 HD11 LEU 114 1HD1 LEU 114 -7.555 -2.851 -6.313 876 HD12 LEU 114 2HD1 LEU 114 -7.772 -4.341 -5.395 877 HD13 LEU 114 3HD1 LEU 114 -7.787 -4.381 -7.157 878 HD21 LEU 114 3HD2 LEU 114 -5.690 -4.038 -8.426 879 HD22 LEU 114 1HD2 LEU 114 -4.166 -3.790 -7.574 880 HD23 LEU 114 2HD2 LEU 114 -5.378 -2.508 -7.605 881 H ARG 115 H ARG 115 -7.304 -5.939 -3.294 882 HA ARG 115 HA ARG 115 -5.335 -8.078 -3.265 883 HB2 ARG 115 2HB ARG 115 -8.223 -7.924 -2.513 884 HB3 ARG 115 1HB ARG 115 -7.443 -9.477 -2.765 885 HG2 ARG 115 2HG ARG 115 -5.728 -8.754 -1.070 886 HG3 ARG 115 1HG ARG 115 -6.797 -7.394 -0.709 887 HD2 ARG 115 2HD ARG 115 -7.115 -9.343 0.796 888 HD3 ARG 115 1HD ARG 115 -8.569 -8.874 -0.084 889 HE ARG 115 HE ARG 115 -7.223 -10.838 -1.560 890 HH11 ARG 115 1HH1 ARG 115 -8.954 -10.552 1.481 891 HH12 ARG 115 2HH1 ARG 115 -9.562 -12.170 1.429 892 HH21 ARG 115 1HH2 ARG 115 -8.026 -12.974 -1.644 893 HH22 ARG 115 2HH2 ARG 115 -9.030 -13.554 -0.347 894 H THR 116 H THR 116 -4.749 -8.861 -5.141 895 HA THR 116 HA THR 116 -6.584 -8.945 -7.357 896 HB THR 116 HB THR 116 -4.563 -10.139 -8.449 897 HG1 THR 116 1HG THR 116 -2.582 -9.588 -7.292 898 HG21 THR 116 3HG2 THR 116 -3.413 -7.993 -8.803 899 HG22 THR 116 1HG2 THR 116 -4.296 -7.298 -7.444 900 HG23 THR 116 2HG2 THR 116 -5.163 -7.804 -8.894 901 H GLU 117 H GLU 117 -5.246 -11.104 -4.962 902 HA GLU 117 HA GLU 117 -7.101 -13.180 -5.838 903 HB2 GLU 117 2HB GLU 117 -4.158 -13.646 -5.317 904 HB3 GLU 117 1HB GLU 117 -5.351 -14.922 -5.452 905 HG2 GLU 117 2HG GLU 117 -5.809 -14.275 -7.747 906 HG3 GLU 117 1HG GLU 117 -4.644 -12.957 -7.616 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -23.056 -16.587 1.587 2 H2 GLY 1 2HT GLY 1 -22.986 -15.103 2.378 3 H3 GLY 1 3HT GLY 1 -23.966 -16.338 2.989 4 HA2 GLY 1 1HA GLY 1 -21.982 -16.160 4.307 5 HA3 GLY 1 2HA GLY 1 -22.008 -17.683 3.431 6 H SER 2 H SER 2 -19.684 -17.625 3.817 7 HA SER 2 HA SER 2 -18.369 -16.228 1.628 8 HB2 SER 2 2HB SER 2 -17.999 -14.898 3.701 9 HB3 SER 2 1HB SER 2 -17.281 -16.319 4.457 10 HG SER 2 HG SER 2 -15.498 -15.642 3.606 11 H HIS 3 H HIS 3 -16.252 -17.206 1.127 12 HA HIS 3 HA HIS 3 -16.399 -20.082 1.260 13 HB2 HIS 3 2HB HIS 3 -14.350 -18.218 0.042 14 HB3 HIS 3 1HB HIS 3 -14.219 -19.969 -0.020 15 HD1 HIS 3 1HD HIS 3 -16.400 -21.144 -1.258 16 HD2 HIS 3 2HD HIS 3 -15.621 -17.146 -2.069 17 HE1 HIS 3 1HE HIS 3 -17.611 -20.640 -3.396 18 HE2 HIS 3 2HE HIS 3 -17.107 -18.222 -3.887 19 H MET 4 H MET 4 -14.183 -21.218 1.712 20 HA MET 4 HA MET 4 -13.604 -20.941 4.431 21 HB2 MET 4 2HB MET 4 -13.180 -23.022 3.250 22 HB3 MET 4 1HB MET 4 -11.987 -22.233 2.228 23 HG2 MET 4 2HG MET 4 -10.602 -21.813 4.223 24 HG3 MET 4 1HG MET 4 -11.777 -22.698 5.193 25 HE1 MET 4 3HE MET 4 -8.629 -25.065 4.974 26 HE2 MET 4 1HE MET 4 -9.707 -24.187 6.059 27 HE3 MET 4 2HE MET 4 -8.613 -23.302 4.995 28 H GLU 5 H GLU 5 -12.214 -19.682 5.530 29 HA GLU 5 HA GLU 5 -10.992 -17.457 4.303 30 HB2 GLU 5 2HB GLU 5 -11.733 -17.615 6.701 31 HB3 GLU 5 1HB GLU 5 -10.330 -18.626 7.005 32 HG2 GLU 5 2HG GLU 5 -9.680 -16.502 7.691 33 HG3 GLU 5 1HG GLU 5 -8.947 -16.691 6.099 34 HA PRO 6 HA PRO 6 -7.434 -19.796 2.844 35 HB2 PRO 6 2HB PRO 6 -6.499 -17.236 1.781 36 HB3 PRO 6 1HB PRO 6 -6.972 -18.695 0.910 37 HG2 PRO 6 2HG PRO 6 -8.450 -16.434 0.867 38 HG3 PRO 6 1HG PRO 6 -9.170 -18.049 0.751 39 HD2 PRO 6 2HD PRO 6 -8.984 -16.218 3.109 40 HD3 PRO 6 1HD PRO 6 -10.334 -17.242 2.569 41 H ALA 7 H ALA 7 -5.332 -20.008 3.485 42 HA ALA 7 HA ALA 7 -4.496 -18.413 5.752 43 HB1 ALA 7 1HB ALA 7 -4.198 -20.838 5.810 44 HB2 ALA 7 2HB ALA 7 -2.642 -20.010 5.905 45 HB3 ALA 7 3HB ALA 7 -3.158 -20.750 4.389 46 H ARG 8 H ARG 8 -3.954 -18.647 2.387 47 HA ARG 8 HA ARG 8 -1.948 -16.512 2.540 48 HB2 ARG 8 2HB ARG 8 -1.900 -18.931 0.727 49 HB3 ARG 8 1HB ARG 8 -0.923 -17.498 0.453 50 HG2 ARG 8 2HG ARG 8 0.143 -17.862 2.655 51 HG3 ARG 8 1HG ARG 8 -0.774 -19.363 2.809 52 HD2 ARG 8 2HD ARG 8 0.298 -20.271 0.849 53 HD3 ARG 8 1HD ARG 8 1.113 -18.738 0.540 54 HE ARG 8 HE ARG 8 1.655 -20.043 3.085 55 HH11 ARG 8 1HH1 ARG 8 2.726 -19.388 -0.195 56 HH12 ARG 8 2HH1 ARG 8 4.384 -19.730 0.139 57 HH21 ARG 8 1HH2 ARG 8 3.859 -20.505 3.532 58 HH22 ARG 8 2HH2 ARG 8 5.034 -20.372 2.270 59 H VAL 9 H VAL 9 -2.686 -14.759 1.556 60 HA VAL 9 HA VAL 9 -4.451 -15.091 -0.781 61 HB VAL 9 HB VAL 9 -5.616 -13.000 -0.171 62 HG11 VAL 9 1HG1 VAL 9 -5.704 -15.094 1.993 63 HG12 VAL 9 2HG1 VAL 9 -6.613 -15.110 0.481 64 HG13 VAL 9 3HG1 VAL 9 -6.941 -13.873 1.695 65 HG21 VAL 9 3HG2 VAL 9 -5.353 -12.040 2.073 66 HG22 VAL 9 1HG2 VAL 9 -3.859 -11.940 1.141 67 HG23 VAL 9 2HG2 VAL 9 -4.036 -13.167 2.396 68 H ARG 10 H ARG 10 -4.372 -13.236 -2.287 69 HA ARG 10 HA ARG 10 -1.690 -12.064 -2.255 70 HB2 ARG 10 2HB ARG 10 -2.075 -13.429 -4.231 71 HB3 ARG 10 1HB ARG 10 -3.538 -12.520 -4.603 72 HG2 ARG 10 2HG ARG 10 -2.191 -10.488 -4.865 73 HG3 ARG 10 1HG ARG 10 -0.737 -11.423 -4.548 74 HD2 ARG 10 2HD ARG 10 -1.119 -12.738 -6.545 75 HD3 ARG 10 1HD ARG 10 -2.641 -11.890 -6.837 76 HE ARG 10 HE ARG 10 -0.275 -10.223 -6.630 77 HH11 ARG 10 1HH1 ARG 10 -2.477 -11.923 -8.801 78 HH12 ARG 10 2HH1 ARG 10 -2.090 -10.915 -10.158 79 HH21 ARG 10 1HH2 ARG 10 0.222 -8.927 -8.444 80 HH22 ARG 10 2HH2 ARG 10 -0.569 -9.212 -9.954 81 H CYS 11 H CYS 11 -1.525 -10.017 -1.823 82 HA CYS 11 HA CYS 11 -3.703 -8.226 -2.590 83 HB2 CYS 11 2HB CYS 11 -2.290 -8.103 0.084 84 HB3 CYS 11 1HB CYS 11 -3.609 -7.077 -0.461 85 HG CYS 11 HG CYS 11 -5.369 -8.499 0.741 86 H SER 12 H SER 12 -3.020 -6.346 -3.452 87 HA SER 12 HA SER 12 -0.151 -5.881 -3.631 88 HB2 SER 12 2HB SER 12 -2.457 -4.438 -4.979 89 HB3 SER 12 1HB SER 12 -0.744 -4.244 -5.357 90 HG SER 12 HG SER 12 -1.103 -5.785 -6.738 91 H HIS 13 H HIS 13 0.767 -3.871 -2.948 92 HA HIS 13 HA HIS 13 -0.940 -2.273 -1.204 93 HB2 HIS 13 2HB HIS 13 0.562 -2.443 0.704 94 HB3 HIS 13 1HB HIS 13 -0.007 -4.038 0.239 95 HD1 HIS 13 1HD HIS 13 2.782 -3.013 1.737 96 HD2 HIS 13 2HD HIS 13 2.299 -4.733 -2.013 97 HE1 HIS 13 1HE HIS 13 5.022 -3.974 1.142 98 HE2 HIS 13 2HE HIS 13 4.738 -4.896 -1.191 99 H LEU 14 H LEU 14 -0.553 -0.207 -1.310 100 HA LEU 14 HA LEU 14 1.924 0.743 -2.574 101 HB2 LEU 14 2HB LEU 14 -0.337 1.406 -3.500 102 HB3 LEU 14 1HB LEU 14 -0.645 2.248 -2.000 103 HG LEU 14 HG LEU 14 1.764 3.019 -3.599 104 HD11 LEU 14 1HD1 LEU 14 -1.062 3.882 -4.209 105 HD12 LEU 14 2HD1 LEU 14 -0.023 2.913 -5.253 106 HD13 LEU 14 3HD1 LEU 14 0.400 4.587 -4.897 107 HD21 LEU 14 3HD2 LEU 14 1.228 5.223 -2.688 108 HD22 LEU 14 1HD2 LEU 14 1.379 4.025 -1.402 109 HD23 LEU 14 2HD2 LEU 14 -0.218 4.563 -1.924 110 H LEU 15 H LEU 15 3.103 2.476 -1.518 111 HA LEU 15 HA LEU 15 2.392 2.939 1.278 112 HB2 LEU 15 2HB LEU 15 3.820 1.066 1.503 113 HB3 LEU 15 1HB LEU 15 4.970 1.726 0.359 114 HG LEU 15 HG LEU 15 5.596 3.476 1.966 115 HD11 LEU 15 1HD1 LEU 15 4.805 3.379 4.281 116 HD12 LEU 15 2HD1 LEU 15 3.669 2.106 3.836 117 HD13 LEU 15 3HD1 LEU 15 3.496 3.722 3.151 118 HD21 LEU 15 3HD2 LEU 15 6.864 1.414 1.974 119 HD22 LEU 15 1HD2 LEU 15 5.715 0.683 3.094 120 HD23 LEU 15 2HD2 LEU 15 6.714 2.038 3.615 121 H VAL 16 H VAL 16 2.353 5.007 1.535 122 HA VAL 16 HA VAL 16 4.468 6.628 0.312 123 HB VAL 16 HB VAL 16 1.734 7.475 1.337 124 HG11 VAL 16 1HG1 VAL 16 3.914 9.137 0.082 125 HG12 VAL 16 2HG1 VAL 16 3.419 9.189 1.774 126 HG13 VAL 16 3HG1 VAL 16 2.299 9.701 0.511 127 HG21 VAL 16 3HG2 VAL 16 1.290 8.048 -0.999 128 HG22 VAL 16 1HG2 VAL 16 1.651 6.333 -0.813 129 HG23 VAL 16 2HG2 VAL 16 2.878 7.426 -1.453 130 H LYS 17 H LYS 17 6.068 6.805 1.707 131 HA LYS 17 HA LYS 17 5.718 6.487 4.524 132 HB2 LYS 17 2HB LYS 17 8.115 7.341 2.896 133 HB3 LYS 17 1HB LYS 17 8.156 7.060 4.631 134 HG2 LYS 17 2HG LYS 17 7.589 4.740 4.319 135 HG3 LYS 17 1HG LYS 17 7.372 4.991 2.587 136 HD2 LYS 17 2HD LYS 17 9.764 5.604 2.412 137 HD3 LYS 17 1HD LYS 17 9.953 5.264 4.134 138 HE2 LYS 17 2HE LYS 17 9.416 2.956 3.809 139 HE3 LYS 17 1HE LYS 17 8.951 3.244 2.135 140 HZ1 LYS 17 3HZ LYS 17 11.243 3.757 1.604 141 HZ2 LYS 17 1HZ LYS 17 11.135 2.232 2.322 142 HZ3 LYS 17 2HZ LYS 17 11.700 3.540 3.223 143 H HIS 18 H HIS 18 6.693 8.093 6.071 144 HA HIS 18 HA HIS 18 5.982 10.814 5.283 145 HB2 HIS 18 2HB HIS 18 5.030 11.117 7.619 146 HB3 HIS 18 1HB HIS 18 4.070 10.170 6.501 147 HD1 HIS 18 1HD HIS 18 6.892 9.069 8.840 148 HD2 HIS 18 2HD HIS 18 2.896 8.279 8.027 149 HE1 HIS 18 1HE HIS 18 6.265 7.145 10.331 150 HE2 HIS 18 2HE HIS 18 3.785 6.894 10.016 151 H SER 19 H SER 19 7.045 12.472 6.303 152 HA SER 19 HA SER 19 9.754 12.172 6.631 153 HB2 SER 19 2HB SER 19 8.457 14.292 6.159 154 HB3 SER 19 1HB SER 19 8.162 14.401 7.894 155 HG SER 19 HG SER 19 10.707 14.298 6.633 156 H GLN 20 H GLN 20 7.291 12.264 9.210 157 HA GLN 20 HA GLN 20 9.303 12.080 11.255 158 HB2 GLN 20 2HB GLN 20 6.321 11.616 11.494 159 HB3 GLN 20 1HB GLN 20 7.443 11.849 12.821 160 HG2 GLN 20 2HG GLN 20 6.700 13.893 10.737 161 HG3 GLN 20 1HG GLN 20 6.164 13.864 12.415 162 HE21 GLN 20 1HE2 GLN 20 7.590 15.931 10.987 163 HE22 GLN 20 2HE2 GLN 20 9.072 16.185 11.838 164 H SER 21 H SER 21 10.426 10.234 10.460 165 HA SER 21 HA SER 21 9.319 7.752 11.479 166 HB2 SER 21 2HB SER 21 8.656 7.833 9.070 167 HB3 SER 21 1HB SER 21 10.358 7.973 8.637 168 HG SER 21 HG SER 21 9.074 5.796 9.935 169 H ARG 22 H ARG 22 11.049 6.015 11.406 170 HA ARG 22 HA ARG 22 13.428 7.040 12.572 171 HB2 ARG 22 2HB ARG 22 14.172 4.762 12.809 172 HB3 ARG 22 1HB ARG 22 12.462 4.838 13.189 173 HG2 ARG 22 2HG ARG 22 13.493 3.964 10.497 174 HG3 ARG 22 1HG ARG 22 13.235 2.846 11.835 175 HD2 ARG 22 2HD ARG 22 10.871 3.569 11.925 176 HD3 ARG 22 1HD ARG 22 11.160 4.596 10.523 177 HE ARG 22 HE ARG 22 11.835 2.374 9.426 178 HH11 ARG 22 1HH1 ARG 22 9.326 2.755 11.837 179 HH12 ARG 22 2HH1 ARG 22 8.373 1.428 11.272 180 HH21 ARG 22 1HH2 ARG 22 10.581 0.601 8.649 181 HH22 ARG 22 2HH2 ARG 22 9.103 0.194 9.447 182 H ARG 23 H ARG 23 12.558 6.478 9.335 183 HA ARG 23 HA ARG 23 15.290 7.095 8.522 184 HB2 ARG 23 2HB ARG 23 14.944 4.610 8.378 185 HB3 ARG 23 1HB ARG 23 13.680 4.909 7.198 186 HG2 ARG 23 2HG ARG 23 15.595 4.339 5.961 187 HG3 ARG 23 1HG ARG 23 15.433 6.088 5.806 188 HD2 ARG 23 2HD ARG 23 17.211 4.778 7.856 189 HD3 ARG 23 1HD ARG 23 17.773 5.203 6.245 190 HE ARG 23 HE ARG 23 16.957 7.556 6.968 191 HH11 ARG 23 1HH1 ARG 23 18.491 5.182 9.058 192 HH12 ARG 23 2HH1 ARG 23 19.255 6.364 10.055 193 HH21 ARG 23 1HH2 ARG 23 17.964 9.131 8.306 194 HH22 ARG 23 2HH2 ARG 23 18.944 8.619 9.635 195 HA PRO 24 HA PRO 24 12.300 9.700 6.230 196 HB2 PRO 24 2HB PRO 24 13.686 11.998 6.430 197 HB3 PRO 24 1HB PRO 24 12.690 11.393 7.760 198 HG2 PRO 24 2HG PRO 24 15.650 11.245 7.391 199 HG3 PRO 24 1HG PRO 24 14.720 11.580 8.861 200 HD2 PRO 24 2HD PRO 24 15.814 9.134 8.245 201 HD3 PRO 24 1HD PRO 24 14.415 9.361 9.311 202 H SER 25 H SER 25 13.969 7.925 4.912 203 HA SER 25 HA SER 25 14.600 9.410 2.535 204 HB2 SER 25 2HB SER 25 16.711 9.627 3.834 205 HB3 SER 25 1HB SER 25 16.813 7.870 3.930 206 HG SER 25 HG SER 25 17.369 9.583 1.841 207 H SER 26 H SER 26 14.919 7.996 0.714 208 HA SER 26 HA SER 26 14.838 5.177 0.958 209 HB2 SER 26 2HB SER 26 12.439 5.959 1.563 210 HB3 SER 26 1HB SER 26 12.287 6.347 -0.151 211 H TRP 27 H TRP 27 13.759 4.497 -1.508 212 HA TRP 27 HA TRP 27 15.793 5.570 -3.232 213 HB2 TRP 27 2HB TRP 27 15.027 3.981 -4.907 214 HB3 TRP 27 1HB TRP 27 15.166 3.181 -3.351 215 HD1 TRP 27 HD TRP 27 12.869 2.368 -2.187 216 HE1 TRP 27 1HE TRP 27 10.539 1.885 -3.180 217 HE3 TRP 27 3HE TRP 27 13.379 4.760 -6.681 218 HZ2 TRP 27 2HZ TRP 27 9.115 2.446 -5.545 219 HZ3 TRP 27 3HZ TRP 27 11.485 4.736 -8.249 220 HH2 TRP 27 HH TRP 27 9.398 3.602 -7.691 221 H ARG 28 H ARG 28 12.427 6.126 -2.730 222 HA ARG 28 HA ARG 28 11.881 7.472 -5.167 223 HB2 ARG 28 2HB ARG 28 10.528 7.365 -2.493 224 HB3 ARG 28 1HB ARG 28 9.960 8.457 -3.747 225 HG2 ARG 28 2HG ARG 28 10.330 5.557 -4.344 226 HG3 ARG 28 1HG ARG 28 8.886 6.125 -3.501 227 HD2 ARG 28 2HD ARG 28 9.832 7.305 -6.098 228 HD3 ARG 28 1HD ARG 28 8.709 5.947 -6.016 229 HE ARG 28 HE ARG 28 7.458 7.672 -4.460 230 HH11 ARG 28 1HH1 ARG 28 8.984 8.205 -7.577 231 HH12 ARG 28 2HH1 ARG 28 7.913 9.486 -8.028 232 HH21 ARG 28 1HH2 ARG 28 6.022 9.363 -5.066 233 HH22 ARG 28 2HH2 ARG 28 6.216 10.153 -6.590 234 H GLN 29 H GLN 29 12.912 8.563 -1.972 235 HA GLN 29 HA GLN 29 13.712 11.106 -3.161 236 HB2 GLN 29 2HB GLN 29 12.036 10.878 -0.654 237 HB3 GLN 29 1HB GLN 29 12.768 12.361 -1.247 238 HG2 GLN 29 2HG GLN 29 11.405 12.195 -3.286 239 HG3 GLN 29 1HG GLN 29 10.651 10.739 -2.643 240 HE21 GLN 29 1HE2 GLN 29 10.622 11.794 0.082 241 HE22 GLN 29 2HE2 GLN 29 9.365 12.979 0.118 242 H GLU 30 H GLU 30 15.597 11.845 -2.401 243 HA GLU 30 HA GLU 30 17.214 10.185 -0.765 244 HB2 GLU 30 2HB GLU 30 17.660 13.054 -1.610 245 HB3 GLU 30 1HB GLU 30 18.886 11.959 -0.984 246 HG2 GLU 30 2HG GLU 30 18.653 10.535 -2.920 247 HG3 GLU 30 1HG GLU 30 17.343 11.542 -3.528 248 H LYS 31 H LYS 31 15.273 13.018 -0.229 249 HA LYS 31 HA LYS 31 15.582 12.616 2.646 250 HB2 LYS 31 2HB LYS 31 15.551 15.104 2.971 251 HB3 LYS 31 1HB LYS 31 17.018 14.494 2.226 252 HG2 LYS 31 2HG LYS 31 16.189 15.201 0.031 253 HG3 LYS 31 1HG LYS 31 14.729 15.828 0.797 254 HD2 LYS 31 2HD LYS 31 16.141 17.348 2.144 255 HD3 LYS 31 1HD LYS 31 17.556 16.762 1.268 256 HE2 LYS 31 2HE LYS 31 16.801 18.852 0.311 257 HE3 LYS 31 1HE LYS 31 16.553 17.539 -0.836 258 HZ1 LYS 31 3HZ LYS 31 14.215 17.477 -0.198 259 HZ2 LYS 31 1HZ LYS 31 14.646 19.009 -0.755 260 HZ3 LYS 31 2HZ LYS 31 14.456 18.740 0.898 261 H ILE 32 H ILE 32 13.646 12.090 3.365 262 HA ILE 32 HA ILE 32 11.296 12.934 1.886 263 HB ILE 32 HB ILE 32 11.510 11.069 4.264 264 HG12 ILE 32 2HG1 ILE 32 11.117 10.482 1.317 265 HG13 ILE 32 1HG1 ILE 32 12.599 10.205 2.224 266 HG21 ILE 32 1HG2 ILE 32 9.205 10.422 3.710 267 HG22 ILE 32 2HG2 ILE 32 9.164 11.656 2.451 268 HG23 ILE 32 3HG2 ILE 32 9.312 12.129 4.143 269 HD11 ILE 32 3HD1 ILE 32 9.955 8.845 2.697 270 HD12 ILE 32 1HD1 ILE 32 11.440 8.557 3.604 271 HD13 ILE 32 2HD1 ILE 32 11.358 8.144 1.891 272 H THR 33 H THR 33 10.794 14.976 2.312 273 HA THR 33 HA THR 33 10.603 15.866 5.096 274 HB THR 33 HB THR 33 10.121 17.590 2.663 275 HG1 THR 33 1HG THR 33 12.672 17.132 3.874 276 HG21 THR 33 3HG2 THR 33 10.991 19.351 4.149 277 HG22 THR 33 1HG2 THR 33 11.237 18.155 5.421 278 HG23 THR 33 2HG2 THR 33 9.604 18.535 4.870 279 H ARG 34 H ARG 34 8.843 14.405 2.779 280 HA ARG 34 HA ARG 34 6.328 15.612 2.715 281 HB2 ARG 34 2HB ARG 34 7.157 13.781 1.233 282 HB3 ARG 34 1HB ARG 34 6.986 12.669 2.578 283 HG2 ARG 34 2HG ARG 34 4.524 13.439 2.599 284 HG3 ARG 34 1HG ARG 34 4.870 14.021 0.968 285 HD2 ARG 34 2HD ARG 34 5.170 11.204 1.994 286 HD3 ARG 34 1HD ARG 34 3.968 11.788 0.849 287 HE ARG 34 HE ARG 34 6.046 12.310 -0.584 288 HH11 ARG 34 1HH1 ARG 34 5.805 9.594 1.628 289 HH12 ARG 34 2HH1 ARG 34 6.796 8.552 0.652 290 HH21 ARG 34 1HH2 ARG 34 7.401 10.917 -1.838 291 HH22 ARG 34 2HH2 ARG 34 7.733 9.302 -1.272 292 H THR 35 H THR 35 5.358 16.184 4.637 293 HA THR 35 HA THR 35 5.440 14.518 6.954 294 HB THR 35 HB THR 35 5.177 16.979 7.129 295 HG1 THR 35 1HG THR 35 3.802 16.858 8.838 296 HG21 THR 35 3HG2 THR 35 3.006 18.016 6.656 297 HG22 THR 35 1HG2 THR 35 2.409 16.481 6.026 298 HG23 THR 35 2HG2 THR 35 3.714 17.327 5.195 299 H LYS 36 H LYS 36 3.272 13.885 8.046 300 HA LYS 36 HA LYS 36 2.093 11.865 6.492 301 HB2 LYS 36 2HB LYS 36 2.190 11.790 8.946 302 HB3 LYS 36 1HB LYS 36 1.041 13.118 9.029 303 HG2 LYS 36 2HG LYS 36 -0.652 11.713 7.943 304 HG3 LYS 36 1HG LYS 36 0.502 10.380 7.887 305 HD2 LYS 36 2HD LYS 36 -0.982 10.085 9.770 306 HD3 LYS 36 1HD LYS 36 0.641 10.448 10.355 307 HE2 LYS 36 2HE LYS 36 -0.026 12.800 10.677 308 HE3 LYS 36 1HE LYS 36 -1.653 12.399 10.129 309 HZ1 LYS 36 3HZ LYS 36 -1.486 12.452 12.542 310 HZ2 LYS 36 1HZ LYS 36 -0.307 11.243 12.500 311 HZ3 LYS 36 2HZ LYS 36 -1.878 10.900 11.996 312 H GLU 37 H GLU 37 0.970 15.120 7.286 313 HA GLU 37 HA GLU 37 -1.621 14.923 6.255 314 HB2 GLU 37 2HB GLU 37 0.198 17.338 6.303 315 HB3 GLU 37 1HB GLU 37 -1.537 17.382 6.030 316 HG2 GLU 37 2HG GLU 37 -1.909 16.469 8.267 317 HG3 GLU 37 1HG GLU 37 -0.168 16.444 8.537 318 H GLU 38 H GLU 38 1.422 15.754 4.673 319 HA GLU 38 HA GLU 38 0.266 16.236 2.115 320 HB2 GLU 38 2HB GLU 38 3.109 15.601 2.922 321 HB3 GLU 38 1HB GLU 38 2.619 16.080 1.303 322 HG2 GLU 38 2HG GLU 38 2.304 17.742 3.789 323 HG3 GLU 38 1HG GLU 38 3.566 17.938 2.572 324 H ALA 39 H ALA 39 1.751 13.476 3.704 325 HA ALA 39 HA ALA 39 1.895 11.719 1.541 326 HB1 ALA 39 1HB ALA 39 2.954 11.276 3.704 327 HB2 ALA 39 2HB ALA 39 1.923 9.931 3.216 328 HB3 ALA 39 3HB ALA 39 1.366 11.068 4.443 329 H LEU 40 H LEU 40 -0.742 12.418 3.773 330 HA LEU 40 HA LEU 40 -2.550 10.478 2.862 331 HB2 LEU 40 2HB LEU 40 -2.828 11.695 4.964 332 HB3 LEU 40 1HB LEU 40 -3.078 13.188 4.084 333 HG LEU 40 HG LEU 40 -5.174 12.314 3.167 334 HD11 LEU 40 1HD1 LEU 40 -4.549 9.877 4.825 335 HD12 LEU 40 2HD1 LEU 40 -4.669 9.960 3.067 336 HD13 LEU 40 3HD1 LEU 40 -6.103 10.208 4.062 337 HD21 LEU 40 3HD2 LEU 40 -4.964 12.070 6.166 338 HD22 LEU 40 1HD2 LEU 40 -6.457 12.290 5.255 339 HD23 LEU 40 2HD2 LEU 40 -5.231 13.557 5.257 340 H GLU 41 H GLU 41 -1.838 13.738 1.748 341 HA GLU 41 HA GLU 41 -3.980 14.008 -0.054 342 HB2 GLU 41 2HB GLU 41 -1.219 15.219 -0.264 343 HB3 GLU 41 1HB GLU 41 -2.658 15.772 -1.108 344 HG2 GLU 41 2HG GLU 41 -2.209 15.812 1.865 345 HG3 GLU 41 1HG GLU 41 -2.162 17.198 0.777 346 H LEU 42 H LEU 42 -0.699 12.756 -0.448 347 HA LEU 42 HA LEU 42 -0.893 12.159 -3.193 348 HB2 LEU 42 2HB LEU 42 0.841 11.164 -0.966 349 HB3 LEU 42 1HB LEU 42 0.864 10.324 -2.500 350 HG LEU 42 HG LEU 42 1.541 12.445 -3.609 351 HD11 LEU 42 1HD1 LEU 42 1.797 13.482 -0.796 352 HD12 LEU 42 2HD1 LEU 42 0.637 14.029 -2.006 353 HD13 LEU 42 3HD1 LEU 42 2.363 14.294 -2.256 354 HD21 LEU 42 3HD2 LEU 42 3.847 12.418 -2.784 355 HD22 LEU 42 1HD2 LEU 42 3.201 10.790 -2.986 356 HD23 LEU 42 2HD2 LEU 42 3.326 11.495 -1.375 357 H ILE 43 H ILE 43 -1.466 10.189 -0.308 358 HA ILE 43 HA ILE 43 -2.161 7.777 -1.474 359 HB ILE 43 HB ILE 43 -3.200 9.091 1.041 360 HG12 ILE 43 2HG1 ILE 43 -0.794 8.495 0.955 361 HG13 ILE 43 1HG1 ILE 43 -1.676 7.606 2.189 362 HG21 ILE 43 1HG2 ILE 43 -3.658 6.243 0.157 363 HG22 ILE 43 2HG2 ILE 43 -4.885 7.501 0.295 364 HG23 ILE 43 3HG2 ILE 43 -4.063 6.909 1.738 365 HD11 ILE 43 3HD1 ILE 43 -0.116 6.155 1.057 366 HD12 ILE 43 1HD1 ILE 43 -0.830 6.557 -0.504 367 HD13 ILE 43 2HD1 ILE 43 -1.768 5.663 0.690 368 H ASN 44 H ASN 44 -4.389 10.386 -0.514 369 HA ASN 44 HA ASN 44 -6.716 9.242 -1.566 370 HB2 ASN 44 2HB ASN 44 -5.992 12.144 -1.152 371 HB3 ASN 44 1HB ASN 44 -7.605 11.588 -1.583 372 HD21 ASN 44 1HD2 ASN 44 -6.586 12.985 0.784 373 HD22 ASN 44 2HD2 ASN 44 -7.061 12.015 2.133 374 H GLY 45 H GLY 45 -4.327 11.385 -3.024 375 HA2 GLY 45 2HA GLY 45 -5.607 11.894 -5.448 376 HA3 GLY 45 1HA GLY 45 -3.865 11.882 -5.209 377 H TYR 46 H TYR 46 -3.415 9.240 -4.562 378 HA TYR 46 HA TYR 46 -3.419 8.025 -7.115 379 HB2 TYR 46 2HB TYR 46 -2.969 6.698 -4.430 380 HB3 TYR 46 1HB TYR 46 -2.518 6.039 -5.996 381 HD1 TYR 46 1HD TYR 46 -1.373 8.527 -7.249 382 HD2 TYR 46 2HD TYR 46 -0.896 6.865 -3.362 383 HE1 TYR 46 1HE TYR 46 0.821 9.615 -7.058 384 HE2 TYR 46 2HE TYR 46 1.297 7.951 -3.161 385 HH TYR 46 HH TYR 46 2.366 10.355 -5.330 386 H ILE 47 H ILE 47 -5.365 7.490 -4.210 387 HA ILE 47 HA ILE 47 -6.871 5.322 -5.109 388 HB ILE 47 HB ILE 47 -7.698 7.549 -3.228 389 HG12 ILE 47 2HG1 ILE 47 -6.629 4.768 -2.681 390 HG13 ILE 47 1HG1 ILE 47 -5.718 6.265 -2.512 391 HG21 ILE 47 1HG2 ILE 47 -8.979 4.855 -3.687 392 HG22 ILE 47 2HG2 ILE 47 -9.673 6.426 -4.090 393 HG23 ILE 47 3HG2 ILE 47 -9.408 5.985 -2.403 394 HD11 ILE 47 3HD1 ILE 47 -6.474 5.443 -0.360 395 HD12 ILE 47 1HD1 ILE 47 -8.147 5.482 -0.916 396 HD13 ILE 47 2HD1 ILE 47 -7.240 6.985 -0.742 397 H GLN 48 H GLN 48 -7.411 8.796 -5.519 398 HA GLN 48 HA GLN 48 -9.912 8.689 -6.767 399 HB2 GLN 48 2HB GLN 48 -7.658 10.658 -7.200 400 HB3 GLN 48 1HB GLN 48 -9.301 10.882 -7.779 401 HG2 GLN 48 2HG GLN 48 -8.441 10.681 -4.902 402 HG3 GLN 48 1HG GLN 48 -8.907 12.151 -5.754 403 HE21 GLN 48 1HE2 GLN 48 -10.052 10.937 -3.367 404 HE22 GLN 48 2HE2 GLN 48 -11.719 10.669 -3.726 405 H LYS 49 H LYS 49 -6.674 8.341 -8.108 406 HA LYS 49 HA LYS 49 -7.409 8.341 -10.844 407 HB2 LYS 49 2HB LYS 49 -5.031 7.019 -9.522 408 HB3 LYS 49 1HB LYS 49 -5.186 7.405 -11.229 409 HG2 LYS 49 2HG LYS 49 -5.104 9.750 -10.784 410 HG3 LYS 49 1HG LYS 49 -5.222 9.475 -9.047 411 HD2 LYS 49 2HD LYS 49 -2.927 9.995 -9.667 412 HD3 LYS 49 1HD LYS 49 -3.044 8.335 -9.089 413 HE2 LYS 49 2HE LYS 49 -1.630 8.395 -11.029 414 HE3 LYS 49 1HE LYS 49 -3.129 7.569 -11.439 415 HZ1 LYS 49 3HZ LYS 49 -2.357 10.343 -12.145 416 HZ2 LYS 49 1HZ LYS 49 -3.909 9.715 -12.379 417 HZ3 LYS 49 2HZ LYS 49 -2.596 9.034 -13.194 418 H ILE 50 H ILE 50 -7.149 5.848 -8.404 419 HA ILE 50 HA ILE 50 -7.472 3.630 -10.173 420 HB ILE 50 HB ILE 50 -7.983 3.718 -7.195 421 HG12 ILE 50 2HG1 ILE 50 -5.405 2.980 -8.578 422 HG13 ILE 50 1HG1 ILE 50 -5.722 4.591 -7.945 423 HG21 ILE 50 1HG2 ILE 50 -7.252 1.440 -9.041 424 HG22 ILE 50 2HG2 ILE 50 -8.830 1.710 -8.302 425 HG23 ILE 50 3HG2 ILE 50 -7.438 1.324 -7.290 426 HD11 ILE 50 3HD1 ILE 50 -4.437 3.409 -6.347 427 HD12 ILE 50 1HD1 ILE 50 -5.532 2.025 -6.399 428 HD13 ILE 50 2HD1 ILE 50 -6.074 3.553 -5.712 429 H LYS 51 H LYS 51 -9.630 5.398 -7.975 430 HA LYS 51 HA LYS 51 -11.917 3.803 -8.426 431 HB2 LYS 51 2HB LYS 51 -11.756 6.698 -7.571 432 HB3 LYS 51 1HB LYS 51 -13.194 5.696 -7.476 433 HG2 LYS 51 2HG LYS 51 -10.618 5.175 -6.005 434 HG3 LYS 51 1HG LYS 51 -12.047 5.939 -5.315 435 HD2 LYS 51 2HD LYS 51 -12.235 3.217 -6.572 436 HD3 LYS 51 1HD LYS 51 -11.632 3.399 -4.929 437 HE2 LYS 51 2HE LYS 51 -13.975 2.927 -4.809 438 HE3 LYS 51 1HE LYS 51 -13.739 4.610 -4.358 439 HZ1 LYS 51 3HZ LYS 51 -15.646 4.181 -5.863 440 HZ2 LYS 51 1HZ LYS 51 -14.561 3.735 -7.070 441 HZ3 LYS 51 2HZ LYS 51 -14.557 5.314 -6.468 442 H SER 52 H SER 52 -10.594 6.543 -10.148 443 HA SER 52 HA SER 52 -12.904 6.900 -11.809 444 HB2 SER 52 2HB SER 52 -10.073 7.883 -12.232 445 HB3 SER 52 1HB SER 52 -11.522 8.488 -13.038 446 HG SER 52 HG SER 52 -10.598 8.899 -10.438 447 H GLY 53 H GLY 53 -10.340 4.691 -11.716 448 HA2 GLY 53 2HA GLY 53 -9.810 2.926 -13.080 449 HA3 GLY 53 1HA GLY 53 -11.208 3.340 -14.062 450 H GLU 54 H GLU 54 -8.456 5.402 -13.307 451 HA GLU 54 HA GLU 54 -8.101 5.858 -16.147 452 HB2 GLU 54 2HB GLU 54 -6.807 7.143 -13.746 453 HB3 GLU 54 1HB GLU 54 -6.493 7.606 -15.413 454 HG2 GLU 54 2HG GLU 54 -9.140 7.769 -13.993 455 HG3 GLU 54 1HG GLU 54 -8.072 9.121 -14.366 456 H GLU 55 H GLU 55 -6.031 4.874 -13.413 457 HA GLU 55 HA GLU 55 -4.358 3.450 -15.349 458 HB2 GLU 55 2HB GLU 55 -3.371 5.271 -13.152 459 HB3 GLU 55 1HB GLU 55 -2.339 4.141 -14.017 460 HG2 GLU 55 2HG GLU 55 -2.767 5.285 -16.101 461 HG3 GLU 55 1HG GLU 55 -3.909 6.363 -15.304 462 H ASP 56 H ASP 56 -2.921 1.835 -14.315 463 HA ASP 56 HA ASP 56 -4.462 0.193 -12.541 464 HB2 ASP 56 2HB ASP 56 -1.741 -0.162 -13.791 465 HB3 ASP 56 1HB ASP 56 -2.438 -1.340 -12.688 466 H PHE 57 H PHE 57 -4.144 -0.290 -10.462 467 HA PHE 57 HA PHE 57 -2.815 1.531 -8.777 468 HB2 PHE 57 2HB PHE 57 -4.687 0.317 -7.916 469 HB3 PHE 57 1HB PHE 57 -3.944 -1.229 -8.302 470 HD1 PHE 57 2HD PHE 57 -3.405 1.792 -6.203 471 HD2 PHE 57 1HD PHE 57 -2.834 -2.394 -6.643 472 HE1 PHE 57 2HE PHE 57 -2.487 1.686 -3.932 473 HE2 PHE 57 1HE PHE 57 -1.909 -2.507 -4.367 474 HZ PHE 57 HZ PHE 57 -1.737 -0.468 -3.010 475 H GLU 58 H GLU 58 -1.982 -1.690 -9.926 476 HA GLU 58 HA GLU 58 0.366 -2.035 -8.429 477 HB2 GLU 58 2HB GLU 58 -0.470 -3.191 -11.087 478 HB3 GLU 58 1HB GLU 58 0.921 -3.745 -10.167 479 HG2 GLU 58 2HG GLU 58 -0.416 -4.577 -8.431 480 HG3 GLU 58 1HG GLU 58 -1.838 -3.704 -8.997 481 H SER 59 H SER 59 -0.224 -0.435 -11.502 482 HA SER 59 HA SER 59 2.526 -0.060 -12.134 483 HB2 SER 59 2HB SER 59 0.083 1.443 -13.108 484 HB3 SER 59 1HB SER 59 1.693 1.524 -13.826 485 HG SER 59 HG SER 59 1.224 -0.197 -14.886 486 H LEU 60 H LEU 60 0.040 1.889 -10.546 487 HA LEU 60 HA LEU 60 1.604 4.216 -10.205 488 HB2 LEU 60 2HB LEU 60 -0.707 3.219 -8.535 489 HB3 LEU 60 1HB LEU 60 -0.057 4.845 -8.502 490 HG LEU 60 HG LEU 60 -1.440 3.548 -10.851 491 HD11 LEU 60 1HD1 LEU 60 -3.217 5.165 -10.403 492 HD12 LEU 60 2HD1 LEU 60 -2.349 5.719 -8.970 493 HD13 LEU 60 3HD1 LEU 60 -2.973 4.070 -9.042 494 HD21 LEU 60 3HD2 LEU 60 -1.347 5.785 -11.859 495 HD22 LEU 60 1HD2 LEU 60 0.263 5.117 -11.590 496 HD23 LEU 60 2HD2 LEU 60 -0.374 6.348 -10.500 497 H ALA 61 H ALA 61 0.893 1.506 -8.026 498 HA ALA 61 HA ALA 61 2.373 2.413 -5.829 499 HB1 ALA 61 1HB ALA 61 2.264 0.120 -5.018 500 HB2 ALA 61 2HB ALA 61 1.785 -0.437 -6.622 501 HB3 ALA 61 3HB ALA 61 0.713 0.615 -5.698 502 H SER 62 H SER 62 3.362 0.804 -8.736 503 HA SER 62 HA SER 62 5.876 -0.129 -7.818 504 HB2 SER 62 2HB SER 62 4.569 -0.933 -9.848 505 HB3 SER 62 1HB SER 62 5.125 0.520 -10.664 506 HG SER 62 HG SER 62 6.994 -1.155 -9.397 507 H GLN 63 H GLN 63 4.739 2.947 -8.984 508 HA GLN 63 HA GLN 63 7.516 3.859 -9.314 509 HB2 GLN 63 2HB GLN 63 4.985 4.991 -10.481 510 HB3 GLN 63 1HB GLN 63 6.592 5.660 -10.714 511 HG2 GLN 63 2HG GLN 63 7.290 3.614 -11.840 512 HG3 GLN 63 1HG GLN 63 5.686 2.926 -11.590 513 HE21 GLN 63 1HE2 GLN 63 4.366 5.490 -12.090 514 HE22 GLN 63 2HE2 GLN 63 4.439 5.738 -13.795 515 H PHE 64 H PHE 64 4.568 4.463 -7.552 516 HA PHE 64 HA PHE 64 5.635 7.024 -6.636 517 HB2 PHE 64 2HB PHE 64 2.873 5.852 -6.432 518 HB3 PHE 64 1HB PHE 64 3.348 7.380 -5.695 519 HD1 PHE 64 2HD PHE 64 4.228 9.209 -7.212 520 HD2 PHE 64 1HD PHE 64 2.219 5.760 -8.674 521 HE1 PHE 64 2HE PHE 64 3.763 10.379 -9.323 522 HE2 PHE 64 1HE PHE 64 1.752 6.923 -10.790 523 HZ PHE 64 HZ PHE 64 2.523 9.235 -11.116 524 H SER 65 H SER 65 5.086 3.822 -5.407 525 HA SER 65 HA SER 65 4.983 4.601 -2.653 526 HB2 SER 65 2HB SER 65 5.672 1.908 -3.839 527 HB3 SER 65 1HB SER 65 5.270 2.227 -2.153 528 HG SER 65 HG SER 65 3.673 1.891 -4.302 529 H ASP 66 H ASP 66 6.584 4.699 -1.150 530 HA ASP 66 HA ASP 66 9.332 4.794 -2.117 531 HB2 ASP 66 2HB ASP 66 8.473 5.042 0.768 532 HB3 ASP 66 1HB ASP 66 9.917 5.690 0.011 533 H CYS 67 H CYS 67 7.444 2.354 -1.579 534 HA CYS 67 HA CYS 67 8.906 0.817 0.369 535 HB2 CYS 67 2HB CYS 67 6.460 0.631 0.113 536 HB3 CYS 67 1HB CYS 67 6.683 0.002 -1.512 537 HG CYS 67 HG CYS 67 7.815 -1.555 1.317 538 H SER 68 H SER 68 10.114 -1.062 -0.041 539 HA SER 68 HA SER 68 11.574 -1.063 -2.506 540 HB2 SER 68 2HB SER 68 11.623 -3.162 -0.326 541 HB3 SER 68 1HB SER 68 12.887 -2.804 -1.501 542 HG SER 68 HG SER 68 13.280 -0.867 -0.488 543 H SER 69 H SER 69 8.769 -2.579 -1.294 544 HA SER 69 HA SER 69 8.755 -4.914 -2.924 545 HB2 SER 69 2HB SER 69 7.459 -4.769 -0.845 546 HB3 SER 69 1HB SER 69 6.497 -3.459 -1.517 547 HG SER 69 HG SER 69 6.630 -6.020 -2.734 548 H ALA 70 H ALA 70 8.364 -1.658 -3.642 549 HA ALA 70 HA ALA 70 6.329 -1.667 -5.579 550 HB1 ALA 70 1HB ALA 70 7.302 0.442 -6.340 551 HB2 ALA 70 2HB ALA 70 8.751 0.120 -5.387 552 HB3 ALA 70 3HB ALA 70 7.205 0.381 -4.580 553 H LYS 71 H LYS 71 9.526 -2.915 -5.654 554 HA LYS 71 HA LYS 71 10.064 -2.782 -8.418 555 HB2 LYS 71 2HB LYS 71 10.974 -4.837 -6.396 556 HB3 LYS 71 1HB LYS 71 11.655 -4.628 -8.003 557 HG2 LYS 71 2HG LYS 71 12.341 -2.346 -7.379 558 HG3 LYS 71 1HG LYS 71 11.727 -2.634 -5.750 559 HD2 LYS 71 2HD LYS 71 13.291 -4.524 -5.522 560 HD3 LYS 71 1HD LYS 71 13.928 -4.169 -7.129 561 HE2 LYS 71 2HE LYS 71 13.995 -2.324 -4.743 562 HE3 LYS 71 1HE LYS 71 15.359 -3.243 -5.375 563 HZ1 LYS 71 3HZ LYS 71 15.433 -0.964 -6.129 564 HZ2 LYS 71 1HZ LYS 71 13.891 -1.093 -6.807 565 HZ3 LYS 71 2HZ LYS 71 15.172 -1.987 -7.449 566 H ALA 72 H ALA 72 8.109 -4.923 -6.496 567 HA ALA 72 HA ALA 72 7.605 -6.667 -8.796 568 HB1 ALA 72 1HB ALA 72 6.445 -8.104 -7.176 569 HB2 ALA 72 2HB ALA 72 6.748 -6.915 -5.909 570 HB3 ALA 72 3HB ALA 72 8.098 -7.761 -6.666 571 H ARG 73 H ARG 73 6.716 -3.900 -8.632 572 HA ARG 73 HA ARG 73 4.945 -2.630 -9.184 573 HB2 ARG 73 2HB ARG 73 3.603 -5.299 -9.630 574 HB3 ARG 73 1HB ARG 73 2.846 -3.757 -9.997 575 HG2 ARG 73 2HG ARG 73 4.627 -3.267 -11.602 576 HG3 ARG 73 1HG ARG 73 5.372 -4.826 -11.239 577 HD2 ARG 73 2HD ARG 73 3.363 -5.973 -12.024 578 HD3 ARG 73 1HD ARG 73 2.599 -4.421 -12.363 579 HE ARG 73 HE ARG 73 4.970 -4.438 -13.775 580 HH11 ARG 73 1HH1 ARG 73 2.026 -6.358 -13.737 581 HH12 ARG 73 2HH1 ARG 73 2.128 -6.779 -15.409 582 HH21 ARG 73 1HH2 ARG 73 5.083 -4.992 -16.005 583 HH22 ARG 73 2HH2 ARG 73 3.859 -6.000 -16.698 584 H GLY 74 H GLY 74 5.411 -3.678 -6.423 585 HA2 GLY 74 2HA GLY 74 4.493 -3.110 -4.383 586 HA3 GLY 74 1HA GLY 74 3.121 -2.421 -5.241 587 H ASP 75 H ASP 75 3.971 -5.635 -6.024 588 HA ASP 75 HA ASP 75 1.603 -6.582 -4.580 589 HB2 ASP 75 2HB ASP 75 1.359 -6.957 -6.914 590 HB3 ASP 75 1HB ASP 75 2.997 -7.581 -7.056 591 H LEU 76 H LEU 76 1.695 -8.330 -3.245 592 HA LEU 76 HA LEU 76 4.401 -9.204 -2.488 593 HB2 LEU 76 2HB LEU 76 1.814 -9.203 -0.942 594 HB3 LEU 76 1HB LEU 76 3.296 -9.933 -0.363 595 HG LEU 76 HG LEU 76 2.934 -6.997 -0.962 596 HD11 LEU 76 1HD1 LEU 76 1.615 -7.700 0.960 597 HD12 LEU 76 2HD1 LEU 76 2.990 -6.718 1.464 598 HD13 LEU 76 3HD1 LEU 76 3.035 -8.470 1.667 599 HD21 LEU 76 3HD2 LEU 76 5.087 -6.763 0.189 600 HD22 LEU 76 1HD2 LEU 76 5.232 -7.745 -1.268 601 HD23 LEU 76 2HD2 LEU 76 5.205 -8.517 0.317 602 H GLY 77 H GLY 77 1.715 -10.216 -4.177 603 HA2 GLY 77 2HA GLY 77 1.140 -12.277 -5.020 604 HA3 GLY 77 1HA GLY 77 2.601 -12.927 -4.280 605 H ALA 78 H ALA 78 1.309 -14.782 -3.682 606 HA ALA 78 HA ALA 78 -0.774 -14.372 -1.727 607 HB1 ALA 78 1HB ALA 78 -0.915 -16.817 -1.678 608 HB2 ALA 78 2HB ALA 78 0.520 -16.921 -2.699 609 HB3 ALA 78 3HB ALA 78 -0.963 -16.206 -3.331 610 H PHE 79 H PHE 79 -0.216 -13.802 0.250 611 HA PHE 79 HA PHE 79 2.197 -15.011 1.411 612 HB2 PHE 79 2HB PHE 79 2.282 -13.006 2.915 613 HB3 PHE 79 1HB PHE 79 2.545 -12.645 1.216 614 HD1 PHE 79 2HD PHE 79 0.230 -12.312 4.045 615 HD2 PHE 79 1HD PHE 79 0.976 -11.315 -0.023 616 HE1 PHE 79 2HE PHE 79 -1.544 -10.611 4.139 617 HE2 PHE 79 1HE PHE 79 -0.791 -9.613 0.067 618 HZ PHE 79 HZ PHE 79 -2.055 -9.259 2.148 619 H SER 80 H SER 80 2.163 -15.586 3.606 620 HA SER 80 HA SER 80 -0.341 -16.742 4.402 621 HB2 SER 80 2HB SER 80 2.334 -16.718 5.819 622 HB3 SER 80 1HB SER 80 0.953 -17.733 6.235 623 HG SER 80 HG SER 80 2.398 -17.763 3.790 624 H ARG 81 H ARG 81 -1.273 -16.475 6.497 625 HA ARG 81 HA ARG 81 -1.604 -13.785 7.280 626 HB2 ARG 81 2HB ARG 81 -2.878 -14.791 9.220 627 HB3 ARG 81 1HB ARG 81 -3.442 -15.258 7.624 628 HG2 ARG 81 2HG ARG 81 -2.207 -17.388 7.851 629 HG3 ARG 81 1HG ARG 81 -1.751 -16.914 9.488 630 HD2 ARG 81 2HD ARG 81 -3.649 -18.383 9.605 631 HD3 ARG 81 1HD ARG 81 -4.157 -16.758 10.060 632 HE ARG 81 HE ARG 81 -4.800 -16.752 7.489 633 HH11 ARG 81 1HH1 ARG 81 -5.314 -19.230 9.910 634 HH12 ARG 81 2HH1 ARG 81 -6.741 -19.852 9.165 635 HH21 ARG 81 1HH2 ARG 81 -6.707 -17.587 6.478 636 HH22 ARG 81 2HH2 ARG 81 -7.540 -18.916 7.211 637 H GLY 82 H GLY 82 0.071 -12.710 8.062 638 HA2 GLY 82 2HA GLY 82 1.253 -12.142 10.114 639 HA3 GLY 82 1HA GLY 82 1.537 -13.865 10.344 640 H GLN 83 H GLN 83 2.104 -11.318 7.948 641 HA GLN 83 HA GLN 83 4.771 -12.472 7.504 642 HB2 GLN 83 2HB GLN 83 2.690 -11.830 5.450 643 HB3 GLN 83 1HB GLN 83 4.393 -11.734 5.035 644 HG2 GLN 83 2HG GLN 83 3.102 -14.185 6.200 645 HG3 GLN 83 1HG GLN 83 3.273 -13.896 4.470 646 HE21 GLN 83 1HE2 GLN 83 5.295 -14.032 3.525 647 HE22 GLN 83 2HE2 GLN 83 6.655 -14.708 4.345 648 H MET 84 H MET 84 2.730 -9.605 6.874 649 HA MET 84 HA MET 84 5.189 -8.027 6.751 650 HB2 MET 84 2HB MET 84 3.525 -7.837 4.902 651 HB3 MET 84 1HB MET 84 2.373 -7.191 6.058 652 HG2 MET 84 2HG MET 84 3.393 -5.415 4.779 653 HG3 MET 84 1HG MET 84 3.844 -5.294 6.478 654 HE1 MET 84 3HE MET 84 6.675 -6.948 3.218 655 HE2 MET 84 1HE MET 84 5.022 -6.428 2.895 656 HE3 MET 84 2HE MET 84 5.320 -7.868 3.870 657 H GLN 85 H GLN 85 1.905 -7.411 7.979 658 HA GLN 85 HA GLN 85 2.951 -6.718 10.589 659 HB2 GLN 85 2HB GLN 85 1.732 -4.656 8.761 660 HB3 GLN 85 1HB GLN 85 1.681 -4.483 10.507 661 HG2 GLN 85 2HG GLN 85 4.176 -4.654 10.503 662 HG3 GLN 85 1HG GLN 85 4.109 -4.584 8.745 663 HE21 GLN 85 1HE2 GLN 85 5.306 -2.761 10.686 664 HE22 GLN 85 2HE2 GLN 85 4.606 -1.214 10.380 665 H LYS 86 H LYS 86 1.373 -6.656 12.178 666 HA LYS 86 HA LYS 86 -0.748 -8.416 11.841 667 HB2 LYS 86 2HB LYS 86 -0.555 -6.289 13.978 668 HB3 LYS 86 1HB LYS 86 -1.472 -7.786 14.058 669 HG2 LYS 86 2HG LYS 86 1.526 -7.560 13.915 670 HG3 LYS 86 1HG LYS 86 0.580 -7.923 15.357 671 HD2 LYS 86 2HD LYS 86 -0.197 -9.994 14.363 672 HD3 LYS 86 1HD LYS 86 0.634 -9.610 12.854 673 HE2 LYS 86 2HE LYS 86 2.782 -9.689 14.006 674 HE3 LYS 86 1HE LYS 86 1.965 -10.035 15.529 675 HZ1 LYS 86 3HZ LYS 86 2.853 -12.033 14.509 676 HZ2 LYS 86 1HZ LYS 86 1.929 -11.771 13.119 677 HZ3 LYS 86 2HZ LYS 86 1.167 -12.106 14.592 678 HA PRO 87 HA PRO 87 -3.773 -4.573 11.522 679 HB2 PRO 87 2HB PRO 87 -2.590 -2.290 10.544 680 HB3 PRO 87 1HB PRO 87 -2.889 -2.586 12.259 681 HG2 PRO 87 2HG PRO 87 -0.376 -2.974 10.680 682 HG3 PRO 87 1HG PRO 87 -0.586 -2.262 12.291 683 HD2 PRO 87 2HD PRO 87 0.285 -4.766 11.999 684 HD3 PRO 87 1HD PRO 87 -0.832 -4.331 13.310 685 H PHE 88 H PHE 88 -1.096 -5.275 9.426 686 HA PHE 88 HA PHE 88 -2.369 -4.352 7.028 687 HB2 PHE 88 2HB PHE 88 0.071 -4.343 7.181 688 HB3 PHE 88 1HB PHE 88 0.081 -6.090 7.393 689 HD1 PHE 88 2HD PHE 88 -0.816 -3.404 5.000 690 HD2 PHE 88 1HD PHE 88 0.130 -7.516 5.537 691 HE1 PHE 88 2HE PHE 88 -0.687 -3.691 2.561 692 HE2 PHE 88 1HE PHE 88 0.260 -7.810 3.099 693 HZ PHE 88 HZ PHE 88 -0.151 -5.896 1.608 694 H GLU 89 H GLU 89 -1.385 -7.638 8.100 695 HA GLU 89 HA GLU 89 -2.833 -8.959 6.101 696 HB2 GLU 89 2HB GLU 89 -1.902 -9.918 8.797 697 HB3 GLU 89 1HB GLU 89 -2.738 -10.966 7.662 698 HG2 GLU 89 2HG GLU 89 -0.594 -11.469 7.128 699 HG3 GLU 89 1HG GLU 89 -0.851 -10.119 6.030 700 H ASP 90 H ASP 90 -3.815 -7.926 9.314 701 HA ASP 90 HA ASP 90 -6.235 -9.297 9.517 702 HB2 ASP 90 2HB ASP 90 -5.174 -7.963 11.341 703 HB3 ASP 90 1HB ASP 90 -5.686 -6.495 10.517 704 H ALA 91 H ALA 91 -5.457 -6.307 7.843 705 HA ALA 91 HA ALA 91 -8.212 -5.882 7.050 706 HB1 ALA 91 1HB ALA 91 -7.370 -3.895 5.915 707 HB2 ALA 91 2HB ALA 91 -5.711 -4.394 6.250 708 HB3 ALA 91 3HB ALA 91 -6.787 -3.960 7.579 709 H SER 92 H SER 92 -5.182 -6.948 5.618 710 HA SER 92 HA SER 92 -5.958 -6.971 2.932 711 HB2 SER 92 2HB SER 92 -3.973 -8.786 4.312 712 HB3 SER 92 1HB SER 92 -4.073 -8.487 2.576 713 HG SER 92 HG SER 92 -3.454 -6.603 4.611 714 H PHE 93 H PHE 93 -6.201 -9.533 5.394 715 HA PHE 93 HA PHE 93 -7.321 -11.422 3.553 716 HB2 PHE 93 2HB PHE 93 -6.996 -11.390 6.545 717 HB3 PHE 93 1HB PHE 93 -7.896 -12.667 5.736 718 HD1 PHE 93 1HD PHE 93 -4.568 -11.023 5.868 719 HD2 PHE 93 2HD PHE 93 -6.788 -14.487 4.792 720 HE1 PHE 93 1HE PHE 93 -2.469 -12.232 5.447 721 HE2 PHE 93 2HE PHE 93 -4.692 -15.702 4.368 722 HZ PHE 93 HZ PHE 93 -2.530 -14.575 4.695 723 H ALA 94 H ALA 94 -8.586 -8.811 5.317 724 HA ALA 94 HA ALA 94 -11.276 -9.846 5.495 725 HB1 ALA 94 1HB ALA 94 -11.848 -7.649 6.391 726 HB2 ALA 94 2HB ALA 94 -10.240 -7.052 5.980 727 HB3 ALA 94 3HB ALA 94 -10.428 -8.307 7.205 728 H LEU 95 H LEU 95 -9.377 -7.938 3.309 729 HA LEU 95 HA LEU 95 -11.555 -6.809 1.854 730 HB2 LEU 95 2HB LEU 95 -8.687 -7.248 1.031 731 HB3 LEU 95 1HB LEU 95 -9.851 -6.277 0.154 732 HG LEU 95 HG LEU 95 -8.826 -5.690 2.929 733 HD11 LEU 95 1HD1 LEU 95 -8.244 -4.327 0.309 734 HD12 LEU 95 2HD1 LEU 95 -7.148 -5.413 1.161 735 HD13 LEU 95 3HD1 LEU 95 -7.614 -3.881 1.895 736 HD21 LEU 95 3HD2 LEU 95 -9.970 -3.538 2.641 737 HD22 LEU 95 1HD2 LEU 95 -11.106 -4.887 2.607 738 HD23 LEU 95 2HD2 LEU 95 -10.628 -4.098 1.104 739 H ARG 96 H ARG 96 -12.172 -7.348 -0.292 740 HA ARG 96 HA ARG 96 -11.933 -10.227 -0.845 741 HB2 ARG 96 2HB ARG 96 -14.127 -8.270 -1.517 742 HB3 ARG 96 1HB ARG 96 -14.070 -9.924 -2.100 743 HG2 ARG 96 2HG ARG 96 -14.161 -9.140 0.801 744 HG3 ARG 96 1HG ARG 96 -15.564 -9.605 -0.162 745 HD2 ARG 96 2HD ARG 96 -13.155 -11.327 0.438 746 HD3 ARG 96 1HD ARG 96 -14.759 -11.488 1.150 747 HE ARG 96 HE ARG 96 -14.520 -11.713 -1.755 748 HH11 ARG 96 1HH1 ARG 96 -14.962 -13.318 1.329 749 HH12 ARG 96 2HH1 ARG 96 -15.616 -14.756 0.635 750 HH21 ARG 96 1HH2 ARG 96 -15.346 -13.614 -2.690 751 HH22 ARG 96 2HH2 ARG 96 -15.838 -14.928 -1.676 752 H THR 97 H THR 97 -12.327 -10.732 -3.237 753 HA THR 97 HA THR 97 -10.281 -9.661 -4.806 754 HB THR 97 HB THR 97 -12.767 -11.081 -5.782 755 HG1 THR 97 1HG THR 97 -10.291 -12.334 -5.117 756 HG21 THR 97 3HG2 THR 97 -11.230 -11.897 -7.564 757 HG22 THR 97 1HG2 THR 97 -9.988 -10.817 -6.932 758 HG23 THR 97 2HG2 THR 97 -11.477 -10.152 -7.602 759 H GLY 98 H GLY 98 -10.159 -7.734 -5.797 760 HA2 GLY 98 2HA GLY 98 -10.841 -6.083 -7.306 761 HA3 GLY 98 1HA GLY 98 -12.494 -6.663 -7.170 762 H GLU 99 H GLU 99 -11.268 -6.394 -4.110 763 HA GLU 99 HA GLU 99 -12.545 -3.776 -3.794 764 HB2 GLU 99 2HB GLU 99 -13.593 -5.655 -2.590 765 HB3 GLU 99 1HB GLU 99 -12.083 -5.947 -1.744 766 HG2 GLU 99 2HG GLU 99 -12.259 -3.932 -0.535 767 HG3 GLU 99 1HG GLU 99 -13.554 -3.338 -1.574 768 H MET 100 H MET 100 -11.515 -2.108 -2.850 769 HA MET 100 HA MET 100 -8.706 -2.531 -2.080 770 HB2 MET 100 2HB MET 100 -8.963 -1.332 -4.231 771 HB3 MET 100 1HB MET 100 -9.926 -0.112 -3.420 772 HG2 MET 100 2HG MET 100 -8.026 0.547 -2.080 773 HG3 MET 100 1HG MET 100 -7.050 -0.735 -2.796 774 HE1 MET 100 3HE MET 100 -8.620 2.930 -5.122 775 HE2 MET 100 1HE MET 100 -8.939 2.630 -3.415 776 HE3 MET 100 2HE MET 100 -9.666 1.595 -4.644 777 H SER 101 H SER 101 -7.958 -1.458 -0.279 778 HA SER 101 HA SER 101 -9.974 -0.602 1.600 779 HB2 SER 101 2HB SER 101 -8.107 -0.507 3.193 780 HB3 SER 101 1HB SER 101 -8.096 -2.036 2.318 781 HG SER 101 HG SER 101 -6.359 0.150 2.148 782 H GLY 102 H GLY 102 -9.149 1.353 3.030 783 HA2 GLY 102 2HA GLY 102 -8.765 3.594 1.185 784 HA3 GLY 102 1HA GLY 102 -9.383 3.702 2.832 785 HA PRO 103 HA PRO 103 -4.965 4.938 3.082 786 HB2 PRO 103 2HB PRO 103 -5.927 6.825 5.099 787 HB3 PRO 103 1HB PRO 103 -5.065 7.157 3.596 788 HG2 PRO 103 2HG PRO 103 -7.667 7.814 3.954 789 HG3 PRO 103 1HG PRO 103 -7.003 7.364 2.374 790 HD2 PRO 103 2HD PRO 103 -8.593 5.712 4.301 791 HD3 PRO 103 1HD PRO 103 -8.716 5.810 2.530 792 H VAL 104 H VAL 104 -4.242 3.133 4.153 793 HA VAL 104 HA VAL 104 -5.047 2.705 6.921 794 HB VAL 104 HB VAL 104 -3.109 1.079 5.252 795 HG11 VAL 104 1HG1 VAL 104 -4.576 0.398 7.799 796 HG12 VAL 104 2HG1 VAL 104 -2.861 0.780 7.668 797 HG13 VAL 104 3HG1 VAL 104 -3.500 -0.675 6.904 798 HG21 VAL 104 3HG2 VAL 104 -4.970 -0.489 4.909 799 HG22 VAL 104 1HG2 VAL 104 -5.312 1.092 4.205 800 HG23 VAL 104 2HG2 VAL 104 -6.056 0.628 5.735 801 H PHE 105 H PHE 105 -4.051 3.975 8.339 802 HA PHE 105 HA PHE 105 -1.373 4.969 7.881 803 HB2 PHE 105 2HB PHE 105 -3.259 5.358 10.218 804 HB3 PHE 105 1HB PHE 105 -1.721 6.183 10.016 805 HD1 PHE 105 1HD PHE 105 -5.120 5.811 8.621 806 HD2 PHE 105 2HD PHE 105 -1.542 8.109 8.671 807 HE1 PHE 105 1HE PHE 105 -6.265 7.610 7.398 808 HE2 PHE 105 2HE PHE 105 -2.679 9.912 7.445 809 HZ PHE 105 HZ PHE 105 -5.045 9.663 6.809 810 H THR 106 H THR 106 0.201 3.471 8.185 811 HA THR 106 HA THR 106 0.113 1.943 10.691 812 HB THR 106 HB THR 106 1.733 0.384 9.610 813 HG1 THR 106 1HG THR 106 2.559 0.871 7.737 814 HG21 THR 106 3HG2 THR 106 0.121 -0.709 8.124 815 HG22 THR 106 1HG2 THR 106 -0.843 0.768 8.080 816 HG23 THR 106 2HG2 THR 106 -0.666 -0.125 9.591 817 H ASP 107 H ASP 107 2.587 1.252 11.135 818 HA ASP 107 HA ASP 107 3.813 3.540 12.181 819 HB2 ASP 107 2HB ASP 107 4.470 1.758 13.401 820 HB3 ASP 107 1HB ASP 107 4.426 0.663 12.024 821 H SER 108 H SER 108 4.469 1.787 9.190 822 HA SER 108 HA SER 108 6.853 3.383 8.742 823 HB2 SER 108 2HB SER 108 5.687 1.201 7.016 824 HB3 SER 108 1HB SER 108 7.303 1.900 6.893 825 HG SER 108 HG SER 108 6.825 1.038 9.418 826 H GLY 109 H GLY 109 3.668 3.963 8.241 827 HA2 GLY 109 2HA GLY 109 3.585 6.227 6.988 828 HA3 GLY 109 1HA GLY 109 4.087 5.238 5.624 829 H ILE 110 H ILE 110 2.126 5.946 4.590 830 HA ILE 110 HA ILE 110 -0.297 4.698 5.682 831 HB ILE 110 HB ILE 110 -0.165 6.689 3.409 832 HG12 ILE 110 2HG1 ILE 110 -0.721 7.240 6.336 833 HG13 ILE 110 1HG1 ILE 110 0.771 7.658 5.502 834 HG21 ILE 110 1HG2 ILE 110 -2.417 5.754 5.197 835 HG22 ILE 110 2HG2 ILE 110 -2.204 5.364 3.490 836 HG23 ILE 110 3HG2 ILE 110 -2.552 7.023 3.980 837 HD11 ILE 110 3HD1 ILE 110 -0.470 9.164 4.039 838 HD12 ILE 110 1HD1 ILE 110 -0.689 9.583 5.738 839 HD13 ILE 110 2HD1 ILE 110 -1.967 8.735 4.867 840 H HIS 111 H HIS 111 -1.307 3.094 4.611 841 HA HIS 111 HA HIS 111 -0.051 2.186 2.105 842 HB2 HIS 111 2HB HIS 111 -1.146 0.612 4.415 843 HB3 HIS 111 1HB HIS 111 -0.923 -0.106 2.828 844 HD1 HIS 111 1HD HIS 111 1.659 0.127 1.918 845 HD2 HIS 111 2HD HIS 111 1.017 0.438 6.004 846 HE1 HIS 111 1HE HIS 111 3.869 -0.413 2.993 847 HE2 HIS 111 2HE HIS 111 3.399 -0.405 5.458 848 H ILE 112 H ILE 112 -1.300 1.209 0.563 849 HA ILE 112 HA ILE 112 -4.227 1.379 0.821 850 HB ILE 112 HB ILE 112 -2.663 1.775 -1.753 851 HG12 ILE 112 2HG1 ILE 112 -4.069 3.889 -0.102 852 HG13 ILE 112 1HG1 ILE 112 -2.323 3.683 -0.196 853 HG21 ILE 112 1HG2 ILE 112 -5.588 2.148 -1.114 854 HG22 ILE 112 2HG2 ILE 112 -4.884 0.838 -2.062 855 HG23 ILE 112 3HG2 ILE 112 -4.825 2.494 -2.667 856 HD11 ILE 112 3HD1 ILE 112 -3.052 5.493 -1.631 857 HD12 ILE 112 1HD1 ILE 112 -4.154 4.405 -2.475 858 HD13 ILE 112 2HD1 ILE 112 -2.412 4.166 -2.597 859 H ILE 113 H ILE 113 -5.141 -0.619 0.530 860 HA ILE 113 HA ILE 113 -3.400 -2.696 -0.625 861 HB ILE 113 HB ILE 113 -5.646 -3.161 1.341 862 HG12 ILE 113 2HG1 ILE 113 -2.684 -3.025 1.944 863 HG13 ILE 113 1HG1 ILE 113 -3.828 -1.742 2.317 864 HG21 ILE 113 1HG2 ILE 113 -3.347 -4.898 0.438 865 HG22 ILE 113 2HG2 ILE 113 -5.038 -5.088 -0.024 866 HG23 ILE 113 3HG2 ILE 113 -4.549 -5.338 1.652 867 HD11 ILE 113 3HD1 ILE 113 -3.335 -3.091 4.276 868 HD12 ILE 113 1HD1 ILE 113 -3.888 -4.538 3.432 869 HD13 ILE 113 2HD1 ILE 113 -5.030 -3.249 3.814 870 H LEU 114 H LEU 114 -4.099 -3.716 -2.374 871 HA LEU 114 HA LEU 114 -6.977 -3.743 -2.977 872 HB2 LEU 114 2HB LEU 114 -6.100 -2.050 -4.418 873 HB3 LEU 114 1HB LEU 114 -4.722 -3.041 -4.851 874 HG LEU 114 HG LEU 114 -6.288 -4.608 -6.022 875 HD11 LEU 114 1HD1 LEU 114 -8.322 -3.962 -4.769 876 HD12 LEU 114 2HD1 LEU 114 -8.530 -3.942 -6.519 877 HD13 LEU 114 3HD1 LEU 114 -8.324 -2.428 -5.642 878 HD21 LEU 114 3HD2 LEU 114 -6.644 -3.157 -7.964 879 HD22 LEU 114 1HD2 LEU 114 -5.038 -2.945 -7.267 880 HD23 LEU 114 2HD2 LEU 114 -6.295 -1.746 -6.965 881 H ARG 115 H ARG 115 -7.721 -5.707 -3.435 882 HA ARG 115 HA ARG 115 -5.764 -7.837 -3.903 883 HB2 ARG 115 2HB ARG 115 -8.618 -7.873 -2.966 884 HB3 ARG 115 1HB ARG 115 -7.797 -9.328 -3.507 885 HG2 ARG 115 2HG ARG 115 -6.048 -8.848 -1.768 886 HG3 ARG 115 1HG ARG 115 -7.137 -7.601 -1.148 887 HD2 ARG 115 2HD ARG 115 -7.351 -9.784 0.016 888 HD3 ARG 115 1HD ARG 115 -8.850 -9.223 -0.727 889 HE ARG 115 HE ARG 115 -7.455 -10.890 -2.533 890 HH11 ARG 115 1HH1 ARG 115 -9.310 -11.072 0.437 891 HH12 ARG 115 2HH1 ARG 115 -9.865 -12.679 0.132 892 HH21 ARG 115 1HH2 ARG 115 -8.217 -12.971 -2.963 893 HH22 ARG 115 2HH2 ARG 115 -9.237 -13.775 -1.814 894 H THR 116 H THR 116 -5.430 -8.408 -5.935 895 HA THR 116 HA THR 116 -7.408 -7.773 -7.949 896 HB THR 116 HB THR 116 -5.727 -8.741 -9.539 897 HG1 THR 116 1HG THR 116 -3.773 -8.732 -7.554 898 HG21 THR 116 3HG2 THR 116 -4.076 -6.939 -9.269 899 HG22 THR 116 1HG2 THR 116 -4.669 -6.642 -7.635 900 HG23 THR 116 2HG2 THR 116 -5.717 -6.344 -9.021 901 H GLU 117 H GLU 117 -6.534 -10.408 -5.976 902 HA GLU 117 HA GLU 117 -8.532 -12.066 -7.232 903 HB2 GLU 117 2HB GLU 117 -7.019 -14.031 -7.293 904 HB3 GLU 117 1HB GLU 117 -6.570 -12.771 -8.432 905 HG2 GLU 117 2HG GLU 117 -4.894 -11.994 -6.721 906 HG3 GLU 117 1HG GLU 117 -5.240 -13.483 -5.841 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -14.953 -21.942 -2.473 2 H2 GLY 1 2HT GLY 1 -16.171 -23.017 -2.906 3 H3 GLY 1 3HT GLY 1 -14.883 -22.734 -3.965 4 HA2 GLY 1 1HA GLY 1 -14.604 -24.853 -2.876 5 HA3 GLY 1 2HA GLY 1 -13.344 -23.726 -2.396 6 H SER 2 H SER 2 -14.774 -26.108 -1.107 7 HA SER 2 HA SER 2 -16.092 -24.962 1.163 8 HB2 SER 2 2HB SER 2 -15.148 -27.797 0.738 9 HB3 SER 2 1HB SER 2 -16.324 -27.247 1.934 10 HG SER 2 HG SER 2 -17.071 -26.387 -0.488 11 H HIS 3 H HIS 3 -14.705 -23.660 2.236 12 HA HIS 3 HA HIS 3 -13.097 -24.818 4.228 13 HB2 HIS 3 2HB HIS 3 -10.889 -23.957 3.639 14 HB3 HIS 3 1HB HIS 3 -11.450 -25.035 2.371 15 HD1 HIS 3 1HD HIS 3 -10.162 -21.671 2.953 16 HD2 HIS 3 2HD HIS 3 -12.345 -23.597 -0.012 17 HE1 HIS 3 1HE HIS 3 -9.986 -20.206 0.921 18 HE2 HIS 3 2HE HIS 3 -11.449 -21.305 -0.800 19 H MET 4 H MET 4 -12.503 -23.263 5.813 20 HA MET 4 HA MET 4 -14.222 -20.957 5.711 21 HB2 MET 4 2HB MET 4 -14.088 -22.233 7.773 22 HB3 MET 4 1HB MET 4 -12.362 -21.917 7.883 23 HG2 MET 4 2HG MET 4 -12.824 -19.524 8.120 24 HG3 MET 4 1HG MET 4 -14.551 -19.856 8.033 25 HE1 MET 4 3HE MET 4 -13.984 -18.844 11.773 26 HE2 MET 4 1HE MET 4 -14.886 -18.509 10.295 27 HE3 MET 4 2HE MET 4 -13.151 -18.202 10.357 28 H GLU 5 H GLU 5 -13.469 -19.455 4.335 29 HA GLU 5 HA GLU 5 -12.366 -17.589 3.683 30 HB2 GLU 5 2HB GLU 5 -10.991 -17.867 6.356 31 HB3 GLU 5 1HB GLU 5 -10.830 -16.473 5.300 32 HG2 GLU 5 2HG GLU 5 -13.190 -15.998 5.521 33 HG3 GLU 5 1HG GLU 5 -13.411 -17.448 6.499 34 HA PRO 6 HA PRO 6 -8.649 -18.953 1.678 35 HB2 PRO 6 2HB PRO 6 -7.607 -16.541 0.943 36 HB3 PRO 6 1HB PRO 6 -8.972 -17.292 0.109 37 HG2 PRO 6 2HG PRO 6 -8.971 -15.135 2.180 38 HG3 PRO 6 1HG PRO 6 -9.943 -15.269 0.703 39 HD2 PRO 6 2HD PRO 6 -10.919 -15.876 3.151 40 HD3 PRO 6 1HD PRO 6 -11.451 -16.713 1.679 41 H ALA 7 H ALA 7 -6.912 -19.679 2.724 42 HA ALA 7 HA ALA 7 -5.955 -18.427 5.113 43 HB1 ALA 7 1HB ALA 7 -4.344 -20.256 5.187 44 HB2 ALA 7 2HB ALA 7 -4.785 -20.725 3.546 45 HB3 ALA 7 3HB ALA 7 -5.964 -20.864 4.850 46 H ARG 8 H ARG 8 -5.095 -18.398 1.778 47 HA ARG 8 HA ARG 8 -2.866 -16.580 2.372 48 HB2 ARG 8 2HB ARG 8 -2.919 -18.710 0.229 49 HB3 ARG 8 1HB ARG 8 -1.650 -17.515 0.443 50 HG2 ARG 8 2HG ARG 8 -1.076 -18.468 2.594 51 HG3 ARG 8 1HG ARG 8 -2.398 -19.630 2.451 52 HD2 ARG 8 2HD ARG 8 -0.280 -20.662 1.851 53 HD3 ARG 8 1HD ARG 8 -1.346 -20.569 0.451 54 HE ARG 8 HE ARG 8 0.815 -18.619 0.916 55 HH11 ARG 8 1HH1 ARG 8 -0.905 -20.840 -1.196 56 HH12 ARG 8 2HH1 ARG 8 0.061 -20.476 -2.581 57 HH21 ARG 8 1HH2 ARG 8 2.087 -18.124 -0.917 58 HH22 ARG 8 2HH2 ARG 8 1.774 -18.906 -2.423 59 H VAL 9 H VAL 9 -3.427 -14.654 1.625 60 HA VAL 9 HA VAL 9 -5.038 -14.528 -0.834 61 HB VAL 9 HB VAL 9 -5.776 -12.295 -0.139 62 HG11 VAL 9 1HG1 VAL 9 -6.198 -14.384 1.990 63 HG12 VAL 9 2HG1 VAL 9 -7.134 -14.193 0.508 64 HG13 VAL 9 3HG1 VAL 9 -7.191 -12.946 1.754 65 HG21 VAL 9 3HG2 VAL 9 -5.280 -11.425 2.091 66 HG22 VAL 9 1HG2 VAL 9 -3.803 -11.633 1.149 67 HG23 VAL 9 2HG2 VAL 9 -4.223 -12.803 2.400 68 H ARG 10 H ARG 10 -4.461 -13.079 -2.445 69 HA ARG 10 HA ARG 10 -1.660 -12.202 -2.293 70 HB2 ARG 10 2HB ARG 10 -2.306 -13.768 -4.126 71 HB3 ARG 10 1HB ARG 10 -3.409 -12.534 -4.721 72 HG2 ARG 10 2HG ARG 10 -1.568 -11.037 -5.142 73 HG3 ARG 10 1HG ARG 10 -0.437 -12.208 -4.466 74 HD2 ARG 10 2HD ARG 10 -1.167 -13.814 -6.218 75 HD3 ARG 10 1HD ARG 10 -2.118 -12.516 -6.939 76 HE ARG 10 HE ARG 10 0.412 -11.494 -6.687 77 HH11 ARG 10 1HH1 ARG 10 -1.071 -14.236 -8.310 78 HH12 ARG 10 2HH1 ARG 10 0.131 -14.307 -9.552 79 HH21 ARG 10 1HH2 ARG 10 1.997 -11.586 -8.312 80 HH22 ARG 10 2HH2 ARG 10 1.890 -12.782 -9.565 81 H CYS 11 H CYS 11 -1.341 -10.105 -1.974 82 HA CYS 11 HA CYS 11 -3.389 -8.251 -2.960 83 HB2 CYS 11 2HB CYS 11 -1.982 -7.982 -0.303 84 HB3 CYS 11 1HB CYS 11 -3.253 -6.947 -0.939 85 HG CYS 11 HG CYS 11 -3.473 -9.918 0.596 86 H SER 12 H SER 12 -2.677 -6.460 -3.903 87 HA SER 12 HA SER 12 0.208 -5.994 -4.029 88 HB2 SER 12 2HB SER 12 -2.054 -4.812 -5.681 89 HB3 SER 12 1HB SER 12 -0.331 -4.545 -5.949 90 HG SER 12 HG SER 12 -1.538 -7.117 -6.004 91 H HIS 13 H HIS 13 1.042 -3.952 -3.364 92 HA HIS 13 HA HIS 13 -0.905 -2.202 -2.082 93 HB2 HIS 13 2HB HIS 13 0.251 -2.118 0.027 94 HB3 HIS 13 1HB HIS 13 -0.190 -3.771 -0.353 95 HD1 HIS 13 1HD HIS 13 2.078 -2.927 1.677 96 HD2 HIS 13 2HD HIS 13 2.688 -4.152 -2.245 97 HE1 HIS 13 1HE HIS 13 4.433 -3.780 1.594 98 HE2 HIS 13 2HE HIS 13 4.790 -4.517 -0.779 99 H LEU 14 H LEU 14 -0.510 -0.141 -2.087 100 HA LEU 14 HA LEU 14 2.029 0.811 -3.213 101 HB2 LEU 14 2HB LEU 14 -0.186 1.373 -4.333 102 HB3 LEU 14 1HB LEU 14 -0.594 2.297 -2.906 103 HG LEU 14 HG LEU 14 1.889 2.969 -4.453 104 HD11 LEU 14 1HD1 LEU 14 -0.913 3.883 -5.102 105 HD12 LEU 14 2HD1 LEU 14 0.107 2.859 -6.113 106 HD13 LEU 14 3HD1 LEU 14 0.570 4.532 -5.801 107 HD21 LEU 14 3HD2 LEU 14 1.408 5.207 -3.603 108 HD22 LEU 14 1HD2 LEU 14 1.513 4.040 -2.284 109 HD23 LEU 14 2HD2 LEU 14 -0.063 4.609 -2.836 110 H LEU 15 H LEU 15 3.228 2.353 -2.041 111 HA LEU 15 HA LEU 15 2.228 2.955 0.653 112 HB2 LEU 15 2HB LEU 15 3.698 1.068 0.907 113 HB3 LEU 15 1HB LEU 15 4.934 1.844 -0.056 114 HG LEU 15 HG LEU 15 5.235 3.540 1.707 115 HD11 LEU 15 1HD1 LEU 15 3.262 1.873 3.255 116 HD12 LEU 15 2HD1 LEU 15 3.008 3.517 2.669 117 HD13 LEU 15 3HD1 LEU 15 4.226 3.199 3.904 118 HD21 LEU 15 3HD2 LEU 15 6.301 2.056 3.344 119 HD22 LEU 15 1HD2 LEU 15 6.651 1.577 1.684 120 HD23 LEU 15 2HD2 LEU 15 5.460 0.683 2.627 121 H VAL 16 H VAL 16 2.303 5.027 1.065 122 HA VAL 16 HA VAL 16 4.529 6.588 -0.031 123 HB VAL 16 HB VAL 16 1.672 7.569 0.291 124 HG11 VAL 16 1HG1 VAL 16 4.112 9.057 -0.675 125 HG12 VAL 16 2HG1 VAL 16 3.341 9.273 0.894 126 HG13 VAL 16 3HG1 VAL 16 2.469 9.693 -0.581 127 HG21 VAL 16 3HG2 VAL 16 3.364 7.201 -2.181 128 HG22 VAL 16 1HG2 VAL 16 1.743 7.894 -2.137 129 HG23 VAL 16 2HG2 VAL 16 1.990 6.201 -1.708 130 H LYS 17 H LYS 17 5.791 6.879 1.629 131 HA LYS 17 HA LYS 17 4.759 7.152 4.312 132 HB2 LYS 17 2HB LYS 17 7.567 7.302 3.229 133 HB3 LYS 17 1HB LYS 17 7.154 7.362 4.936 134 HG2 LYS 17 2HG LYS 17 6.217 5.104 4.768 135 HG3 LYS 17 1HG LYS 17 6.669 5.057 3.061 136 HD2 LYS 17 2HD LYS 17 9.026 5.379 3.699 137 HD3 LYS 17 1HD LYS 17 8.554 5.368 5.399 138 HE2 LYS 17 2HE LYS 17 7.703 3.088 5.141 139 HE3 LYS 17 1HE LYS 17 8.172 3.108 3.442 140 HZ1 LYS 17 3HZ LYS 17 9.824 1.978 4.751 141 HZ2 LYS 17 1HZ LYS 17 10.011 3.319 5.762 142 HZ3 LYS 17 2HZ LYS 17 10.475 3.406 4.139 143 H HIS 18 H HIS 18 6.097 8.923 5.612 144 HA HIS 18 HA HIS 18 6.069 11.449 4.197 145 HB2 HIS 18 2HB HIS 18 4.611 12.527 5.896 146 HB3 HIS 18 1HB HIS 18 3.770 11.312 4.950 147 HD1 HIS 18 1HD HIS 18 3.838 12.481 8.228 148 HD2 HIS 18 2HD HIS 18 3.972 8.664 6.598 149 HE1 HIS 18 1HE HIS 18 3.055 10.938 10.050 150 HE2 HIS 18 2HE HIS 18 3.093 8.643 9.029 151 H SER 19 H SER 19 6.886 13.228 5.579 152 HA SER 19 HA SER 19 9.401 12.651 6.531 153 HB2 SER 19 2HB SER 19 9.218 14.984 7.586 154 HB3 SER 19 1HB SER 19 8.982 14.852 5.843 155 HG SER 19 HG SER 19 7.348 16.113 6.673 156 H GLN 20 H GLN 20 6.489 13.252 8.488 157 HA GLN 20 HA GLN 20 7.939 12.765 10.931 158 HB2 GLN 20 2HB GLN 20 4.986 13.210 10.477 159 HB3 GLN 20 1HB GLN 20 5.764 13.117 12.048 160 HG2 GLN 20 2HG GLN 20 6.244 15.209 9.936 161 HG3 GLN 20 1HG GLN 20 5.351 15.418 11.441 162 HE21 GLN 20 1HE2 GLN 20 6.489 15.477 13.389 163 HE22 GLN 20 2HE2 GLN 20 8.189 15.804 13.438 164 H SER 21 H SER 21 8.498 10.581 9.894 165 HA SER 21 HA SER 21 6.614 8.603 10.974 166 HB2 SER 21 2HB SER 21 7.452 7.044 9.198 167 HB3 SER 21 1HB SER 21 6.567 8.425 8.551 168 HG SER 21 HG SER 21 8.352 9.202 7.693 169 H ARG 22 H ARG 22 8.127 6.385 10.970 170 HA ARG 22 HA ARG 22 10.049 6.949 12.998 171 HB2 ARG 22 2HB ARG 22 9.359 4.384 11.568 172 HB3 ARG 22 1HB ARG 22 10.505 4.487 12.895 173 HG2 ARG 22 2HG ARG 22 8.706 5.349 14.341 174 HG3 ARG 22 1HG ARG 22 7.569 5.143 13.007 175 HD2 ARG 22 2HD ARG 22 7.472 3.263 14.568 176 HD3 ARG 22 1HD ARG 22 8.021 2.751 12.974 177 HE ARG 22 HE ARG 22 10.351 3.069 14.114 178 HH11 ARG 22 1HH1 ARG 22 7.463 1.757 15.613 179 HH12 ARG 22 2HH1 ARG 22 8.331 0.675 16.641 180 HH21 ARG 22 1HH2 ARG 22 11.504 1.638 15.463 181 HH22 ARG 22 2HH2 ARG 22 10.647 0.605 16.555 182 H ARG 23 H ARG 23 10.175 6.118 9.593 183 HA ARG 23 HA ARG 23 12.991 6.907 9.608 184 HB2 ARG 23 2HB ARG 23 12.904 4.444 9.549 185 HB3 ARG 23 1HB ARG 23 11.901 4.524 8.107 186 HG2 ARG 23 2HG ARG 23 13.716 5.599 6.891 187 HG3 ARG 23 1HG ARG 23 14.721 5.547 8.339 188 HD2 ARG 23 2HD ARG 23 13.615 3.176 6.845 189 HD3 ARG 23 1HD ARG 23 15.286 3.734 6.825 190 HE ARG 23 HE ARG 23 13.945 2.734 9.253 191 HH11 ARG 23 1HH1 ARG 23 16.747 2.879 7.140 192 HH12 ARG 23 2HH1 ARG 23 17.718 1.867 8.148 193 HH21 ARG 23 1HH2 ARG 23 15.227 1.389 10.578 194 HH22 ARG 23 2HH2 ARG 23 16.849 1.013 10.112 195 HA PRO 24 HA PRO 24 10.898 9.345 6.382 196 HB2 PRO 24 2HB PRO 24 13.020 11.281 6.893 197 HB3 PRO 24 1HB PRO 24 11.282 11.456 7.141 198 HG2 PRO 24 2HG PRO 24 13.046 11.319 9.196 199 HG3 PRO 24 1HG PRO 24 11.383 10.717 9.315 200 HD2 PRO 24 2HD PRO 24 13.919 9.196 8.839 201 HD3 PRO 24 1HD PRO 24 12.548 8.804 9.902 202 H SER 25 H SER 25 12.529 7.248 5.609 203 HA SER 25 HA SER 25 14.024 8.503 3.443 204 HB2 SER 25 2HB SER 25 15.638 7.905 5.288 205 HB3 SER 25 1HB SER 25 15.178 6.219 5.060 206 HG SER 25 HG SER 25 16.306 7.923 3.079 207 H SER 26 H SER 26 13.594 7.563 1.545 208 HA SER 26 HA SER 26 12.367 4.888 1.550 209 HB2 SER 26 2HB SER 26 10.977 5.646 -0.327 210 HB3 SER 26 1HB SER 26 10.722 6.688 1.073 211 H TRP 27 H TRP 27 12.307 4.532 -1.193 212 HA TRP 27 HA TRP 27 15.140 4.687 -1.909 213 HB2 TRP 27 2HB TRP 27 14.767 2.882 -3.467 214 HB3 TRP 27 1HB TRP 27 14.076 2.417 -1.922 215 HD1 TRP 27 HD TRP 27 11.295 2.625 -1.781 216 HE1 TRP 27 1HE TRP 27 9.557 2.166 -3.626 217 HE3 TRP 27 3HE TRP 27 14.337 2.958 -5.874 218 HZ2 TRP 27 2HZ TRP 27 9.489 1.963 -6.432 219 HZ3 TRP 27 3HZ TRP 27 13.355 2.612 -8.100 220 HH2 TRP 27 HH TRP 27 10.981 2.125 -8.372 221 H ARG 28 H ARG 28 12.416 6.361 -2.212 222 HA ARG 28 HA ARG 28 12.727 7.141 -5.005 223 HB2 ARG 28 2HB ARG 28 10.767 8.122 -2.913 224 HB3 ARG 28 1HB ARG 28 10.726 8.504 -4.626 225 HG2 ARG 28 2HG ARG 28 10.284 5.796 -3.382 226 HG3 ARG 28 1HG ARG 28 9.059 6.843 -4.099 227 HD2 ARG 28 2HD ARG 28 11.376 5.548 -5.531 228 HD3 ARG 28 1HD ARG 28 9.683 5.077 -5.643 229 HE ARG 28 HE ARG 28 9.804 7.745 -6.369 230 HH11 ARG 28 1HH1 ARG 28 11.101 4.704 -7.532 231 HH12 ARG 28 2HH1 ARG 28 11.140 5.197 -9.188 232 HH21 ARG 28 1HH2 ARG 28 9.876 8.408 -8.581 233 HH22 ARG 28 2HH2 ARG 28 10.449 7.304 -9.781 234 H GLN 29 H GLN 29 12.745 8.540 -1.752 235 HA GLN 29 HA GLN 29 14.446 10.723 -2.778 236 HB2 GLN 29 2HB GLN 29 12.557 10.733 -0.416 237 HB3 GLN 29 1HB GLN 29 13.616 12.056 -0.866 238 HG2 GLN 29 2HG GLN 29 12.396 12.249 -3.003 239 HG3 GLN 29 1HG GLN 29 11.292 10.990 -2.447 240 HE21 GLN 29 1HE2 GLN 29 12.356 14.258 -2.003 241 HE22 GLN 29 2HE2 GLN 29 11.026 14.790 -1.033 242 H GLU 30 H GLU 30 16.261 11.283 -1.545 243 HA GLU 30 HA GLU 30 17.475 9.274 0.038 244 HB2 GLU 30 2HB GLU 30 18.682 11.131 -1.172 245 HB3 GLU 30 1HB GLU 30 18.065 12.249 0.032 246 HG2 GLU 30 2HG GLU 30 20.289 11.740 0.630 247 HG3 GLU 30 1HG GLU 30 19.245 10.892 1.768 248 H LYS 31 H LYS 31 15.777 12.257 0.729 249 HA LYS 31 HA LYS 31 15.096 11.251 3.388 250 HB2 LYS 31 2HB LYS 31 15.245 13.571 4.255 251 HB3 LYS 31 1HB LYS 31 16.802 12.974 3.703 252 HG2 LYS 31 2HG LYS 31 16.497 14.219 1.595 253 HG3 LYS 31 1HG LYS 31 14.983 14.866 2.225 254 HD2 LYS 31 2HD LYS 31 16.243 15.862 4.107 255 HD3 LYS 31 1HD LYS 31 17.740 15.280 3.376 256 HE2 LYS 31 2HE LYS 31 15.791 17.249 2.184 257 HE3 LYS 31 1HE LYS 31 17.404 17.602 2.801 258 HZ1 LYS 31 3HZ LYS 31 17.419 17.461 0.408 259 HZ2 LYS 31 1HZ LYS 31 16.768 15.903 0.449 260 HZ3 LYS 31 2HZ LYS 31 18.324 16.189 1.046 261 H ILE 32 H ILE 32 12.958 11.203 3.679 262 HA ILE 32 HA ILE 32 11.221 12.040 1.576 263 HB ILE 32 HB ILE 32 10.545 11.019 4.346 264 HG12 ILE 32 2HG1 ILE 32 10.653 9.596 1.676 265 HG13 ILE 32 1HG1 ILE 32 11.838 9.433 2.967 266 HG21 ILE 32 1HG2 ILE 32 8.799 11.292 1.900 267 HG22 ILE 32 2HG2 ILE 32 8.693 12.276 3.360 268 HG23 ILE 32 3HG2 ILE 32 8.325 10.552 3.430 269 HD11 ILE 32 3HD1 ILE 32 10.299 7.552 2.918 270 HD12 ILE 32 1HD1 ILE 32 8.941 8.657 3.126 271 HD13 ILE 32 2HD1 ILE 32 10.131 8.471 4.413 272 H THR 33 H THR 33 10.886 14.117 1.252 273 HA THR 33 HA THR 33 10.766 15.961 3.477 274 HB THR 33 HB THR 33 10.506 17.666 1.606 275 HG1 THR 33 1HG THR 33 10.402 16.946 -0.384 276 HG21 THR 33 3HG2 THR 33 12.642 17.226 2.726 277 HG22 THR 33 1HG2 THR 33 12.885 17.539 1.008 278 HG23 THR 33 2HG2 THR 33 12.950 15.888 1.619 279 H ARG 34 H ARG 34 8.621 14.372 1.280 280 HA ARG 34 HA ARG 34 6.404 16.092 1.486 281 HB2 ARG 34 2HB ARG 34 5.122 13.850 0.983 282 HB3 ARG 34 1HB ARG 34 6.123 14.606 -0.245 283 HG2 ARG 34 2HG ARG 34 7.919 13.062 0.204 284 HG3 ARG 34 1HG ARG 34 7.018 12.363 1.550 285 HD2 ARG 34 2HD ARG 34 5.545 11.265 0.166 286 HD3 ARG 34 1HD ARG 34 5.770 12.410 -1.155 287 HE ARG 34 HE ARG 34 7.822 11.336 -1.693 288 HH11 ARG 34 1HH1 ARG 34 6.006 9.608 0.784 289 HH12 ARG 34 2HH1 ARG 34 6.771 8.088 0.427 290 HH21 ARG 34 1HH2 ARG 34 8.815 9.329 -2.111 291 HH22 ARG 34 2HH2 ARG 34 8.369 7.921 -1.190 292 H THR 35 H THR 35 5.075 16.513 3.067 293 HA THR 35 HA THR 35 5.311 15.007 5.534 294 HB THR 35 HB THR 35 5.283 17.523 5.526 295 HG1 THR 35 1HG THR 35 4.351 17.516 7.447 296 HG21 THR 35 3HG2 THR 35 3.095 18.650 5.338 297 HG22 THR 35 1HG2 THR 35 2.376 17.127 4.813 298 HG23 THR 35 2HG2 THR 35 3.606 17.913 3.821 299 H LYS 36 H LYS 36 3.019 14.889 6.740 300 HA LYS 36 HA LYS 36 1.639 12.783 5.520 301 HB2 LYS 36 2HB LYS 36 1.617 12.969 7.907 302 HB3 LYS 36 1HB LYS 36 0.897 14.567 7.842 303 HG2 LYS 36 2HG LYS 36 -0.653 12.326 6.666 304 HG3 LYS 36 1HG LYS 36 -0.499 12.389 8.422 305 HD2 LYS 36 2HD LYS 36 -1.424 14.626 8.461 306 HD3 LYS 36 1HD LYS 36 -1.476 14.667 6.699 307 HE2 LYS 36 2HE LYS 36 -3.107 12.872 6.681 308 HE3 LYS 36 1HE LYS 36 -3.007 12.733 8.436 309 HZ1 LYS 36 3HZ LYS 36 -4.944 14.021 7.631 310 HZ2 LYS 36 1HZ LYS 36 -3.887 15.194 7.019 311 HZ3 LYS 36 2HZ LYS 36 -3.953 14.888 8.682 312 H GLU 37 H GLU 37 0.745 16.202 5.812 313 HA GLU 37 HA GLU 37 -1.751 15.961 4.535 314 HB2 GLU 37 2HB GLU 37 0.080 18.251 5.102 315 HB3 GLU 37 1HB GLU 37 -1.338 18.491 4.090 316 HG2 GLU 37 2HG GLU 37 -1.401 17.359 6.876 317 HG3 GLU 37 1HG GLU 37 -1.714 19.047 6.464 318 H GLU 38 H GLU 38 1.416 15.975 3.250 319 HA GLU 38 HA GLU 38 0.488 16.658 0.573 320 HB2 GLU 38 2HB GLU 38 3.248 15.999 1.618 321 HB3 GLU 38 1HB GLU 38 2.889 16.448 -0.044 322 HG2 GLU 38 2HG GLU 38 2.168 18.628 0.642 323 HG3 GLU 38 1HG GLU 38 2.325 18.193 2.340 324 H ALA 39 H ALA 39 1.892 13.961 2.362 325 HA ALA 39 HA ALA 39 1.992 12.089 0.273 326 HB1 ALA 39 1HB ALA 39 2.088 10.406 2.067 327 HB2 ALA 39 2HB ALA 39 1.641 11.646 3.238 328 HB3 ALA 39 3HB ALA 39 3.172 11.763 2.371 329 H LEU 40 H LEU 40 -0.549 12.914 2.585 330 HA LEU 40 HA LEU 40 -2.374 10.889 2.003 331 HB2 LEU 40 2HB LEU 40 -2.591 12.385 3.915 332 HB3 LEU 40 1HB LEU 40 -2.882 13.740 2.846 333 HG LEU 40 HG LEU 40 -4.987 12.652 2.100 334 HD11 LEU 40 1HD1 LEU 40 -4.347 10.681 4.286 335 HD12 LEU 40 2HD1 LEU 40 -4.435 10.341 2.558 336 HD13 LEU 40 3HD1 LEU 40 -5.889 10.806 3.441 337 HD21 LEU 40 3HD2 LEU 40 -6.231 13.113 4.162 338 HD22 LEU 40 1HD2 LEU 40 -5.018 14.351 3.834 339 HD23 LEU 40 2HD2 LEU 40 -4.716 13.124 5.064 340 H GLU 41 H GLU 41 -1.961 14.076 0.521 341 HA GLU 41 HA GLU 41 -4.155 13.850 -1.234 342 HB2 GLU 41 2HB GLU 41 -1.722 15.608 -1.229 343 HB3 GLU 41 1HB GLU 41 -2.923 15.689 -2.512 344 HG2 GLU 41 2HG GLU 41 -3.471 16.102 0.416 345 HG3 GLU 41 1HG GLU 41 -3.298 17.378 -0.790 346 H LEU 42 H LEU 42 -0.839 12.799 -1.436 347 HA LEU 42 HA LEU 42 -0.839 12.196 -4.203 348 HB2 LEU 42 2HB LEU 42 0.721 10.922 -1.947 349 HB3 LEU 42 1HB LEU 42 1.043 10.676 -3.650 350 HG LEU 42 HG LEU 42 1.317 13.289 -2.163 351 HD11 LEU 42 1HD1 LEU 42 3.397 11.419 -3.281 352 HD12 LEU 42 2HD1 LEU 42 3.042 11.678 -1.573 353 HD13 LEU 42 3HD1 LEU 42 3.707 12.991 -2.545 354 HD21 LEU 42 3HD2 LEU 42 2.343 14.098 -4.244 355 HD22 LEU 42 1HD2 LEU 42 0.649 13.663 -4.466 356 HD23 LEU 42 2HD2 LEU 42 1.919 12.578 -5.031 357 H ILE 43 H ILE 43 -1.390 10.223 -1.312 358 HA ILE 43 HA ILE 43 -2.088 7.813 -2.493 359 HB ILE 43 HB ILE 43 -3.101 9.095 0.052 360 HG12 ILE 43 2HG1 ILE 43 -0.676 8.582 -0.075 361 HG13 ILE 43 1HG1 ILE 43 -1.507 7.658 1.169 362 HG21 ILE 43 1HG2 ILE 43 -3.469 6.232 -0.826 363 HG22 ILE 43 2HG2 ILE 43 -4.738 7.449 -0.696 364 HG23 ILE 43 3HG2 ILE 43 -3.896 6.895 0.751 365 HD11 ILE 43 3HD1 ILE 43 0.069 6.253 0.021 366 HD12 ILE 43 1HD1 ILE 43 -0.648 6.660 -1.538 367 HD13 ILE 43 2HD1 ILE 43 -1.569 5.726 -0.361 368 H ASN 44 H ASN 44 -4.254 10.445 -1.478 369 HA ASN 44 HA ASN 44 -6.649 9.375 -2.418 370 HB2 ASN 44 2HB ASN 44 -5.776 12.251 -2.119 371 HB3 ASN 44 1HB ASN 44 -7.419 11.780 -2.535 372 HD21 ASN 44 1HD2 ASN 44 -6.356 13.196 -0.197 373 HD22 ASN 44 2HD2 ASN 44 -6.871 12.274 1.172 374 H GLY 45 H GLY 45 -4.292 11.438 -4.055 375 HA2 GLY 45 2HA GLY 45 -5.686 11.805 -6.451 376 HA3 GLY 45 1HA GLY 45 -3.939 11.880 -6.269 377 H TYR 46 H TYR 46 -3.285 9.325 -5.580 378 HA TYR 46 HA TYR 46 -3.327 8.025 -8.072 379 HB2 TYR 46 2HB TYR 46 -2.671 6.848 -5.358 380 HB3 TYR 46 1HB TYR 46 -2.295 6.102 -6.909 381 HD1 TYR 46 1HD TYR 46 -1.365 8.477 -8.436 382 HD2 TYR 46 2HD TYR 46 -0.549 7.274 -4.437 383 HE1 TYR 46 1HE TYR 46 0.746 9.720 -8.503 384 HE2 TYR 46 2HE TYR 46 1.573 8.520 -4.496 385 HH TYR 46 HH TYR 46 2.295 10.740 -7.001 386 H ILE 47 H ILE 47 -5.224 7.489 -5.136 387 HA ILE 47 HA ILE 47 -6.646 5.237 -5.977 388 HB ILE 47 HB ILE 47 -7.545 7.508 -4.183 389 HG12 ILE 47 2HG1 ILE 47 -6.520 4.735 -3.528 390 HG13 ILE 47 1HG1 ILE 47 -5.588 6.221 -3.392 391 HG21 ILE 47 1HG2 ILE 47 -8.830 4.806 -4.590 392 HG22 ILE 47 2HG2 ILE 47 -9.500 6.362 -5.079 393 HG23 ILE 47 3HG2 ILE 47 -9.294 5.989 -3.367 394 HD11 ILE 47 3HD1 ILE 47 -6.407 5.481 -1.228 395 HD12 ILE 47 1HD1 ILE 47 -8.067 5.543 -1.822 396 HD13 ILE 47 2HD1 ILE 47 -7.126 7.027 -1.678 397 H GLN 48 H GLN 48 -7.296 8.680 -6.506 398 HA GLN 48 HA GLN 48 -9.766 8.382 -7.818 399 HB2 GLN 48 2HB GLN 48 -7.691 10.554 -8.198 400 HB3 GLN 48 1HB GLN 48 -9.361 10.643 -8.728 401 HG2 GLN 48 2HG GLN 48 -8.344 10.554 -5.902 402 HG3 GLN 48 1HG GLN 48 -9.139 11.897 -6.717 403 HE21 GLN 48 1HE2 GLN 48 -9.859 10.547 -4.252 404 HE22 GLN 48 2HE2 GLN 48 -11.462 9.935 -4.474 405 H LYS 49 H LYS 49 -6.460 8.478 -9.074 406 HA LYS 49 HA LYS 49 -7.071 8.388 -11.816 407 HB2 LYS 49 2HB LYS 49 -4.652 7.298 -10.364 408 HB3 LYS 49 1HB LYS 49 -4.756 7.590 -12.095 409 HG2 LYS 49 2HG LYS 49 -4.861 9.935 -11.789 410 HG3 LYS 49 1HG LYS 49 -5.134 9.766 -10.055 411 HD2 LYS 49 2HD LYS 49 -2.840 10.439 -10.460 412 HD3 LYS 49 1HD LYS 49 -2.876 8.799 -9.821 413 HE2 LYS 49 2HE LYS 49 -1.281 8.910 -11.610 414 HE3 LYS 49 1HE LYS 49 -2.655 7.938 -12.128 415 HZ1 LYS 49 3HZ LYS 49 -3.512 9.941 -13.265 416 HZ2 LYS 49 1HZ LYS 49 -2.033 9.393 -13.879 417 HZ3 LYS 49 2HZ LYS 49 -2.084 10.752 -12.868 418 H ILE 50 H ILE 50 -6.650 5.849 -9.423 419 HA ILE 50 HA ILE 50 -6.767 3.668 -11.243 420 HB ILE 50 HB ILE 50 -7.346 3.716 -8.275 421 HG12 ILE 50 2HG1 ILE 50 -4.796 2.903 -9.668 422 HG13 ILE 50 1HG1 ILE 50 -5.069 4.525 -9.039 423 HG21 ILE 50 1HG2 ILE 50 -6.687 1.405 -10.106 424 HG22 ILE 50 2HG2 ILE 50 -8.251 1.722 -9.356 425 HG23 ILE 50 3HG2 ILE 50 -6.860 1.310 -8.353 426 HD11 ILE 50 3HD1 ILE 50 -5.304 3.644 -6.804 427 HD12 ILE 50 1HD1 ILE 50 -3.772 3.133 -7.514 428 HD13 ILE 50 2HD1 ILE 50 -5.126 2.001 -7.415 429 H LYS 51 H LYS 51 -9.140 5.089 -9.006 430 HA LYS 51 HA LYS 51 -11.277 3.384 -9.553 431 HB2 LYS 51 2HB LYS 51 -11.191 6.234 -8.598 432 HB3 LYS 51 1HB LYS 51 -12.698 5.347 -8.752 433 HG2 LYS 51 2HG LYS 51 -10.368 4.486 -7.044 434 HG3 LYS 51 1HG LYS 51 -11.781 5.363 -6.454 435 HD2 LYS 51 2HD LYS 51 -11.855 2.652 -7.792 436 HD3 LYS 51 1HD LYS 51 -11.926 2.928 -6.052 437 HE2 LYS 51 2HE LYS 51 -13.991 4.180 -6.308 438 HE3 LYS 51 1HE LYS 51 -13.907 4.003 -8.057 439 HZ1 LYS 51 3HZ LYS 51 -15.436 2.427 -7.104 440 HZ2 LYS 51 1HZ LYS 51 -14.230 1.793 -6.104 441 HZ3 LYS 51 2HZ LYS 51 -14.122 1.607 -7.780 442 H SER 52 H SER 52 -10.212 6.250 -11.257 443 HA SER 52 HA SER 52 -12.557 6.481 -12.859 444 HB2 SER 52 2HB SER 52 -9.792 7.599 -13.345 445 HB3 SER 52 1HB SER 52 -11.287 8.139 -14.112 446 HG SER 52 HG SER 52 -10.377 8.506 -11.485 447 H GLY 53 H GLY 53 -10.050 4.247 -12.899 448 HA2 GLY 53 2HA GLY 53 -9.604 2.538 -14.382 449 HA3 GLY 53 1HA GLY 53 -10.904 3.145 -15.400 450 H GLU 54 H GLU 54 -8.388 5.271 -14.393 451 HA GLU 54 HA GLU 54 -7.629 5.650 -17.156 452 HB2 GLU 54 2HB GLU 54 -6.820 7.100 -14.638 453 HB3 GLU 54 1HB GLU 54 -6.262 7.528 -16.249 454 HG2 GLU 54 2HG GLU 54 -9.112 7.560 -15.290 455 HG3 GLU 54 1HG GLU 54 -8.079 8.966 -15.545 456 H GLU 55 H GLU 55 -5.563 5.608 -14.271 457 HA GLU 55 HA GLU 55 -3.725 3.936 -15.817 458 HB2 GLU 55 2HB GLU 55 -3.104 5.927 -13.637 459 HB3 GLU 55 1HB GLU 55 -1.916 4.869 -14.390 460 HG2 GLU 55 2HG GLU 55 -2.606 5.902 -16.599 461 HG3 GLU 55 1HG GLU 55 -3.467 7.109 -15.648 462 H ASP 56 H ASP 56 -2.713 2.233 -14.880 463 HA ASP 56 HA ASP 56 -4.358 0.811 -13.043 464 HB2 ASP 56 2HB ASP 56 -1.805 0.140 -14.466 465 HB3 ASP 56 1HB ASP 56 -2.536 -0.953 -13.298 466 H PHE 57 H PHE 57 -3.940 0.038 -11.066 467 HA PHE 57 HA PHE 57 -2.462 1.579 -9.247 468 HB2 PHE 57 2HB PHE 57 -4.355 0.262 -8.514 469 HB3 PHE 57 1HB PHE 57 -3.596 -1.223 -9.064 470 HD1 PHE 57 1HD PHE 57 -3.529 1.407 -6.495 471 HD2 PHE 57 2HD PHE 57 -1.996 -2.366 -7.712 472 HE1 PHE 57 1HE PHE 57 -2.599 1.070 -4.257 473 HE2 PHE 57 2HE PHE 57 -1.059 -2.705 -5.466 474 HZ PHE 57 HZ PHE 57 -1.362 -0.988 -3.738 475 H GLU 58 H GLU 58 -1.798 -1.469 -10.873 476 HA GLU 58 HA GLU 58 0.592 -2.135 -9.571 477 HB2 GLU 58 2HB GLU 58 -0.232 -2.769 -12.404 478 HB3 GLU 58 1HB GLU 58 1.011 -3.600 -11.482 479 HG2 GLU 58 2HG GLU 58 -0.653 -4.399 -9.912 480 HG3 GLU 58 1HG GLU 58 -1.912 -3.516 -10.777 481 H SER 59 H SER 59 -0.061 -0.068 -12.332 482 HA SER 59 HA SER 59 2.687 0.240 -13.047 483 HB2 SER 59 2HB SER 59 0.762 0.520 -14.642 484 HB3 SER 59 1HB SER 59 0.356 2.017 -13.806 485 HG SER 59 HG SER 59 1.632 2.727 -15.364 486 H LEU 60 H LEU 60 0.364 2.028 -11.095 487 HA LEU 60 HA LEU 60 2.054 4.275 -10.652 488 HB2 LEU 60 2HB LEU 60 -0.327 3.290 -9.083 489 HB3 LEU 60 1HB LEU 60 0.451 4.843 -8.856 490 HG LEU 60 HG LEU 60 -0.992 3.946 -11.353 491 HD11 LEU 60 1HD1 LEU 60 -2.510 4.377 -9.508 492 HD12 LEU 60 2HD1 LEU 60 -2.640 5.641 -10.731 493 HD13 LEU 60 3HD1 LEU 60 -1.757 5.948 -9.236 494 HD21 LEU 60 3HD2 LEU 60 -0.703 6.278 -12.081 495 HD22 LEU 60 1HD2 LEU 60 0.841 5.447 -11.894 496 HD23 LEU 60 2HD2 LEU 60 0.297 6.586 -10.662 497 H ALA 61 H ALA 61 1.270 1.387 -8.736 498 HA ALA 61 HA ALA 61 2.942 2.112 -6.533 499 HB1 ALA 61 1HB ALA 61 2.495 -0.127 -5.697 500 HB2 ALA 61 2HB ALA 61 1.836 -0.601 -7.263 501 HB3 ALA 61 3HB ALA 61 1.008 0.615 -6.290 502 H SER 62 H SER 62 3.667 0.922 -9.587 503 HA SER 62 HA SER 62 6.027 -0.549 -8.841 504 HB2 SER 62 2HB SER 62 4.676 -0.984 -10.929 505 HB3 SER 62 1HB SER 62 5.262 0.551 -11.557 506 HG SER 62 HG SER 62 6.644 -0.937 -12.341 507 H GLN 63 H GLN 63 5.134 2.683 -9.274 508 HA GLN 63 HA GLN 63 7.940 3.541 -9.481 509 HB2 GLN 63 2HB GLN 63 5.425 4.984 -10.323 510 HB3 GLN 63 1HB GLN 63 7.047 5.656 -10.402 511 HG2 GLN 63 2HG GLN 63 7.704 4.119 -12.072 512 HG3 GLN 63 1HG GLN 63 6.257 3.140 -11.835 513 HE21 GLN 63 1HE2 GLN 63 4.327 3.804 -12.702 514 HE22 GLN 63 2HE2 GLN 63 4.218 5.057 -13.888 515 H PHE 64 H PHE 64 4.800 4.666 -8.232 516 HA PHE 64 HA PHE 64 6.195 6.133 -6.135 517 HB2 PHE 64 2HB PHE 64 3.269 6.179 -6.890 518 HB3 PHE 64 1HB PHE 64 4.063 7.250 -5.742 519 HD1 PHE 64 1HD PHE 64 5.752 8.889 -6.569 520 HD2 PHE 64 2HD PHE 64 3.310 6.609 -9.205 521 HE1 PHE 64 1HE PHE 64 6.240 10.473 -8.386 522 HE2 PHE 64 2HE PHE 64 3.796 8.186 -11.027 523 HZ PHE 64 HZ PHE 64 5.263 10.123 -10.618 524 H SER 65 H SER 65 6.768 4.176 -5.038 525 HA SER 65 HA SER 65 4.902 3.617 -2.944 526 HB2 SER 65 2HB SER 65 4.280 1.983 -4.777 527 HB3 SER 65 1HB SER 65 5.886 1.281 -4.600 528 HG SER 65 HG SER 65 4.105 0.285 -3.380 529 H ASP 66 H ASP 66 6.139 3.840 -1.229 530 HA ASP 66 HA ASP 66 9.005 3.702 -1.376 531 HB2 ASP 66 2HB ASP 66 7.216 4.102 1.027 532 HB3 ASP 66 1HB ASP 66 8.955 4.358 0.990 533 H CYS 67 H CYS 67 7.627 1.145 -1.793 534 HA CYS 67 HA CYS 67 8.921 -0.322 0.388 535 HB2 CYS 67 2HB CYS 67 7.190 -2.066 0.220 536 HB3 CYS 67 1HB CYS 67 6.505 -0.514 0.681 537 HG CYS 67 HG CYS 67 5.564 0.024 -1.955 538 H SER 68 H SER 68 9.734 -2.426 -0.197 539 HA SER 68 HA SER 68 11.174 -2.418 -2.609 540 HB2 SER 68 2HB SER 68 11.682 -4.823 -1.935 541 HB3 SER 68 1HB SER 68 12.091 -3.582 -0.749 542 HG SER 68 HG SER 68 10.158 -5.570 -0.659 543 H SER 69 H SER 69 7.999 -3.414 -1.878 544 HA SER 69 HA SER 69 7.658 -5.432 -3.822 545 HB2 SER 69 2HB SER 69 5.505 -3.632 -2.745 546 HB3 SER 69 1HB SER 69 5.354 -5.296 -3.313 547 HG SER 69 HG SER 69 7.008 -5.653 -1.503 548 H ALA 70 H ALA 70 8.077 -2.087 -4.119 549 HA ALA 70 HA ALA 70 6.411 -1.450 -6.279 550 HB1 ALA 70 1HB ALA 70 7.926 0.400 -6.694 551 HB2 ALA 70 2HB ALA 70 9.162 -0.361 -5.691 552 HB3 ALA 70 3HB ALA 70 7.664 0.213 -4.960 553 H LYS 71 H LYS 71 9.384 -3.227 -6.088 554 HA LYS 71 HA LYS 71 10.018 -3.166 -8.870 555 HB2 LYS 71 2HB LYS 71 10.837 -5.162 -6.753 556 HB3 LYS 71 1HB LYS 71 11.582 -4.982 -8.333 557 HG2 LYS 71 2HG LYS 71 11.573 -2.915 -6.138 558 HG3 LYS 71 1HG LYS 71 12.929 -3.949 -6.585 559 HD2 LYS 71 2HD LYS 71 11.619 -1.878 -8.356 560 HD3 LYS 71 1HD LYS 71 13.165 -1.700 -7.528 561 HE2 LYS 71 2HE LYS 71 12.513 -3.742 -9.653 562 HE3 LYS 71 1HE LYS 71 13.479 -2.287 -9.878 563 HZ1 LYS 71 3HZ LYS 71 14.174 -4.522 -8.047 564 HZ2 LYS 71 1HZ LYS 71 15.112 -3.150 -8.344 565 HZ3 LYS 71 2HZ LYS 71 14.843 -4.279 -9.573 566 H ALA 72 H ALA 72 7.742 -4.836 -6.987 567 HA ALA 72 HA ALA 72 7.259 -6.798 -9.121 568 HB1 ALA 72 1HB ALA 72 6.041 -8.095 -7.435 569 HB2 ALA 72 2HB ALA 72 6.371 -6.848 -6.233 570 HB3 ALA 72 3HB ALA 72 7.698 -7.785 -6.920 571 H ARG 73 H ARG 73 6.454 -3.857 -8.602 572 HA ARG 73 HA ARG 73 4.764 -2.492 -9.179 573 HB2 ARG 73 2HB ARG 73 3.496 -5.023 -10.226 574 HB3 ARG 73 1HB ARG 73 2.857 -3.406 -10.494 575 HG2 ARG 73 2HG ARG 73 4.994 -2.803 -11.600 576 HG3 ARG 73 1HG ARG 73 5.503 -4.481 -11.430 577 HD2 ARG 73 2HD ARG 73 3.710 -5.227 -12.823 578 HD3 ARG 73 1HD ARG 73 3.006 -3.610 -12.865 579 HE ARG 73 HE ARG 73 5.697 -3.699 -13.842 580 HH11 ARG 73 1HH1 ARG 73 2.344 -4.187 -14.727 581 HH12 ARG 73 2HH1 ARG 73 2.602 -3.869 -16.402 582 HH21 ARG 73 1HH2 ARG 73 6.051 -3.272 -16.066 583 HH22 ARG 73 2HH2 ARG 73 4.722 -3.340 -17.170 584 H GLY 74 H GLY 74 4.837 -3.928 -6.575 585 HA2 GLY 74 2HA GLY 74 3.559 -3.192 -4.707 586 HA3 GLY 74 1HA GLY 74 2.146 -3.102 -5.748 587 H ASP 75 H ASP 75 2.888 -5.761 -6.891 588 HA ASP 75 HA ASP 75 1.192 -7.331 -5.293 589 HB2 ASP 75 2HB ASP 75 1.289 -7.836 -7.591 590 HB3 ASP 75 1HB ASP 75 3.040 -7.978 -7.568 591 H LEU 76 H LEU 76 1.506 -8.563 -3.605 592 HA LEU 76 HA LEU 76 4.241 -9.034 -2.631 593 HB2 LEU 76 2HB LEU 76 1.559 -8.992 -1.277 594 HB3 LEU 76 1HB LEU 76 2.992 -9.619 -0.494 595 HG LEU 76 HG LEU 76 2.786 -6.799 -1.527 596 HD11 LEU 76 1HD1 LEU 76 2.252 -7.883 1.237 597 HD12 LEU 76 2HD1 LEU 76 1.071 -7.142 0.156 598 HD13 LEU 76 3HD1 LEU 76 2.388 -6.174 0.820 599 HD21 LEU 76 3HD2 LEU 76 4.675 -6.442 -0.007 600 HD22 LEU 76 1HD2 LEU 76 5.053 -7.651 -1.233 601 HD23 LEU 76 2HD2 LEU 76 4.661 -8.155 0.411 602 H GLY 77 H GLY 77 1.879 -10.605 -4.325 603 HA2 GLY 77 2HA GLY 77 1.659 -12.840 -4.855 604 HA3 GLY 77 1HA GLY 77 2.961 -13.199 -3.723 605 H ALA 78 H ALA 78 1.269 -15.025 -3.416 606 HA ALA 78 HA ALA 78 -0.949 -14.293 -1.720 607 HB1 ALA 78 1HB ALA 78 -1.440 -16.680 -1.662 608 HB2 ALA 78 2HB ALA 78 0.093 -17.029 -2.460 609 HB3 ALA 78 3HB ALA 78 -1.167 -16.143 -3.319 610 H PHE 79 H PHE 79 -0.666 -13.838 0.338 611 HA PHE 79 HA PHE 79 1.360 -15.351 1.837 612 HB2 PHE 79 2HB PHE 79 1.784 -13.329 3.204 613 HB3 PHE 79 1HB PHE 79 2.201 -13.091 1.513 614 HD1 PHE 79 2HD PHE 79 0.843 -11.623 0.097 615 HD2 PHE 79 1HD PHE 79 0.009 -12.092 4.245 616 HE1 PHE 79 2HE PHE 79 -0.552 -9.600 0.042 617 HE2 PHE 79 1HE PHE 79 -1.386 -10.067 4.196 618 HZ PHE 79 HZ PHE 79 -1.669 -8.818 2.093 619 H SER 80 H SER 80 0.955 -15.231 4.236 620 HA SER 80 HA SER 80 -1.925 -15.497 4.742 621 HB2 SER 80 2HB SER 80 -0.546 -17.632 4.766 622 HB3 SER 80 1HB SER 80 0.295 -16.979 6.170 623 HG SER 80 HG SER 80 -2.451 -17.637 5.913 624 H ARG 81 H ARG 81 -2.166 -15.464 7.342 625 HA ARG 81 HA ARG 81 -1.421 -12.805 8.077 626 HB2 ARG 81 2HB ARG 81 -2.882 -14.973 9.587 627 HB3 ARG 81 1HB ARG 81 -2.542 -13.392 10.275 628 HG2 ARG 81 2HG ARG 81 -3.778 -12.396 8.325 629 HG3 ARG 81 1HG ARG 81 -4.277 -14.033 7.907 630 HD2 ARG 81 2HD ARG 81 -4.814 -12.668 10.545 631 HD3 ARG 81 1HD ARG 81 -5.973 -12.814 9.227 632 HE ARG 81 HE ARG 81 -5.023 -15.370 9.934 633 HH11 ARG 81 1HH1 ARG 81 -7.091 -12.811 11.172 634 HH12 ARG 81 2HH1 ARG 81 -8.088 -13.883 12.090 635 HH21 ARG 81 1HH2 ARG 81 -6.352 -16.800 11.175 636 HH22 ARG 81 2HH2 ARG 81 -7.663 -16.152 12.100 637 H GLY 82 H GLY 82 -0.169 -12.143 9.811 638 HA2 GLY 82 2HA GLY 82 1.435 -12.400 11.502 639 HA3 GLY 82 1HA GLY 82 1.571 -14.105 11.092 640 H GLN 83 H GLN 83 1.690 -11.516 8.727 641 HA GLN 83 HA GLN 83 4.576 -11.983 8.441 642 HB2 GLN 83 2HB GLN 83 3.284 -13.413 6.854 643 HB3 GLN 83 1HB GLN 83 2.644 -11.948 6.126 644 HG2 GLN 83 2HG GLN 83 4.466 -12.812 4.806 645 HG3 GLN 83 1HG GLN 83 4.918 -11.266 5.523 646 HE21 GLN 83 1HE2 GLN 83 5.414 -14.703 5.578 647 HE22 GLN 83 2HE2 GLN 83 6.877 -14.686 6.494 648 H MET 84 H MET 84 1.803 -9.899 7.750 649 HA MET 84 HA MET 84 3.687 -7.734 7.038 650 HB2 MET 84 2HB MET 84 2.028 -8.462 5.300 651 HB3 MET 84 1HB MET 84 0.742 -7.942 6.373 652 HG2 MET 84 2HG MET 84 1.201 -6.304 4.633 653 HG3 MET 84 1HG MET 84 1.511 -5.653 6.238 654 HE1 MET 84 3HE MET 84 4.812 -6.975 3.292 655 HE2 MET 84 1HE MET 84 3.084 -7.111 2.975 656 HE3 MET 84 2HE MET 84 3.839 -8.131 4.201 657 H GLN 85 H GLN 85 2.672 -5.460 7.566 658 HA GLN 85 HA GLN 85 2.518 -5.159 10.338 659 HB2 GLN 85 2HB GLN 85 1.570 -3.282 8.160 660 HB3 GLN 85 1HB GLN 85 1.771 -2.838 9.848 661 HG2 GLN 85 2HG GLN 85 4.168 -3.332 9.681 662 HG3 GLN 85 1HG GLN 85 3.955 -3.739 7.981 663 HE21 GLN 85 1HE2 GLN 85 5.587 -1.680 9.247 664 HE22 GLN 85 2HE2 GLN 85 5.097 -0.175 8.556 665 H LYS 86 H LYS 86 0.848 -4.988 11.762 666 HA LYS 86 HA LYS 86 -1.405 -6.508 11.281 667 HB2 LYS 86 2HB LYS 86 -1.052 -4.431 13.445 668 HB3 LYS 86 1HB LYS 86 -2.317 -5.644 13.409 669 HG2 LYS 86 2HG LYS 86 0.643 -6.084 13.700 670 HG3 LYS 86 1HG LYS 86 -0.619 -6.400 14.890 671 HD2 LYS 86 2HD LYS 86 -0.181 -7.850 12.276 672 HD3 LYS 86 1HD LYS 86 0.100 -8.487 13.894 673 HE2 LYS 86 2HE LYS 86 -2.575 -7.680 12.745 674 HE3 LYS 86 1HE LYS 86 -1.988 -9.328 12.944 675 HZ1 LYS 86 3HZ LYS 86 -3.486 -8.691 14.720 676 HZ2 LYS 86 1HZ LYS 86 -2.487 -7.399 15.142 677 HZ3 LYS 86 2HZ LYS 86 -1.942 -8.985 15.330 678 HA PRO 87 HA PRO 87 -4.149 -2.447 10.872 679 HB2 PRO 87 2HB PRO 87 -2.125 -0.675 9.599 680 HB3 PRO 87 1HB PRO 87 -3.410 -0.270 10.742 681 HG2 PRO 87 2HG PRO 87 -0.884 -0.351 11.549 682 HG3 PRO 87 1HG PRO 87 -2.181 -0.984 12.579 683 HD2 PRO 87 2HD PRO 87 -0.216 -2.467 10.883 684 HD3 PRO 87 1HD PRO 87 -0.817 -2.845 12.508 685 H PHE 88 H PHE 88 -1.625 -3.481 8.739 686 HA PHE 88 HA PHE 88 -3.142 -2.902 6.332 687 HB2 PHE 88 2HB PHE 88 -0.732 -2.506 6.300 688 HB3 PHE 88 1HB PHE 88 -0.431 -4.178 6.749 689 HD1 PHE 88 1HD PHE 88 -0.957 -5.994 5.114 690 HD2 PHE 88 2HD PHE 88 -1.084 -1.879 4.057 691 HE1 PHE 88 1HE PHE 88 -0.844 -6.611 2.743 692 HE2 PHE 88 2HE PHE 88 -0.976 -2.491 1.679 693 HZ PHE 88 HZ PHE 88 -0.857 -4.867 1.024 694 H GLU 89 H GLU 89 -1.708 -5.696 7.937 695 HA GLU 89 HA GLU 89 -2.624 -7.662 6.180 696 HB2 GLU 89 2HB GLU 89 -0.777 -7.838 7.845 697 HB3 GLU 89 1HB GLU 89 -1.992 -7.974 9.104 698 HG2 GLU 89 2HG GLU 89 -2.815 -10.024 8.124 699 HG3 GLU 89 1HG GLU 89 -1.655 -9.870 6.801 700 H ASP 90 H ASP 90 -3.996 -6.556 9.283 701 HA ASP 90 HA ASP 90 -6.084 -8.439 9.390 702 HB2 ASP 90 2HB ASP 90 -5.803 -5.709 10.636 703 HB3 ASP 90 1HB ASP 90 -7.209 -6.728 10.912 704 H ALA 91 H ALA 91 -5.751 -5.530 7.573 705 HA ALA 91 HA ALA 91 -8.587 -5.375 6.965 706 HB1 ALA 91 1HB ALA 91 -7.994 -3.418 5.634 707 HB2 ALA 91 2HB ALA 91 -6.281 -3.748 5.899 708 HB3 ALA 91 3HB ALA 91 -7.315 -3.307 7.257 709 H SER 92 H SER 92 -5.604 -6.449 5.504 710 HA SER 92 HA SER 92 -6.454 -6.661 2.838 711 HB2 SER 92 2HB SER 92 -4.404 -8.352 4.284 712 HB3 SER 92 1HB SER 92 -4.549 -8.166 2.536 713 HG SER 92 HG SER 92 -4.094 -6.005 4.324 714 H PHE 93 H PHE 93 -6.584 -8.981 5.511 715 HA PHE 93 HA PHE 93 -7.753 -11.023 3.855 716 HB2 PHE 93 2HB PHE 93 -7.212 -10.853 6.813 717 HB3 PHE 93 1HB PHE 93 -8.029 -12.229 6.077 718 HD1 PHE 93 2HD PHE 93 -4.871 -10.326 6.170 719 HD2 PHE 93 1HD PHE 93 -6.827 -13.881 4.895 720 HE1 PHE 93 2HE PHE 93 -2.694 -11.319 5.606 721 HE2 PHE 93 1HE PHE 93 -4.652 -14.878 4.328 722 HZ PHE 93 HZ PHE 93 -2.583 -13.592 4.684 723 H ALA 94 H ALA 94 -8.989 -8.272 5.119 724 HA ALA 94 HA ALA 94 -11.622 -9.398 5.692 725 HB1 ALA 94 1HB ALA 94 -12.220 -7.136 6.414 726 HB2 ALA 94 2HB ALA 94 -10.639 -6.548 5.898 727 HB3 ALA 94 3HB ALA 94 -10.760 -7.696 7.231 728 H LEU 95 H LEU 95 -9.826 -7.934 3.200 729 HA LEU 95 HA LEU 95 -12.110 -6.937 1.725 730 HB2 LEU 95 2HB LEU 95 -9.214 -7.196 0.914 731 HB3 LEU 95 1HB LEU 95 -10.455 -6.357 0.008 732 HG LEU 95 HG LEU 95 -9.423 -5.554 2.728 733 HD11 LEU 95 1HD1 LEU 95 -8.991 -4.310 0.018 734 HD12 LEU 95 2HD1 LEU 95 -7.795 -5.225 0.937 735 HD13 LEU 95 3HD1 LEU 95 -8.398 -3.690 1.559 736 HD21 LEU 95 3HD2 LEU 95 -11.401 -4.214 0.883 737 HD22 LEU 95 1HD2 LEU 95 -10.726 -3.500 2.347 738 HD23 LEU 95 2HD2 LEU 95 -11.752 -4.929 2.456 739 H ARG 96 H ARG 96 -12.268 -7.611 -0.618 740 HA ARG 96 HA ARG 96 -11.907 -10.533 -0.848 741 HB2 ARG 96 2HB ARG 96 -13.833 -10.577 -2.327 742 HB3 ARG 96 1HB ARG 96 -14.274 -9.810 -0.811 743 HG2 ARG 96 2HG ARG 96 -14.047 -7.607 -1.881 744 HG3 ARG 96 1HG ARG 96 -13.661 -8.409 -3.405 745 HD2 ARG 96 2HD ARG 96 -16.003 -7.759 -3.351 746 HD3 ARG 96 1HD ARG 96 -15.848 -9.514 -3.368 747 HE ARG 96 HE ARG 96 -16.054 -9.095 -0.771 748 HH11 ARG 96 1HH1 ARG 96 -17.905 -7.640 -3.378 749 HH12 ARG 96 2HH1 ARG 96 -19.327 -7.446 -2.414 750 HH21 ARG 96 1HH2 ARG 96 -17.918 -8.832 0.483 751 HH22 ARG 96 2HH2 ARG 96 -19.338 -8.124 -0.209 752 H THR 97 H THR 97 -11.913 -11.168 -3.301 753 HA THR 97 HA THR 97 -9.567 -10.122 -4.444 754 HB THR 97 HB THR 97 -11.720 -11.735 -5.838 755 HG1 THR 97 1HG THR 97 -9.436 -12.658 -4.372 756 HG21 THR 97 3HG2 THR 97 -9.841 -12.561 -7.200 757 HG22 THR 97 1HG2 THR 97 -8.745 -11.487 -6.331 758 HG23 THR 97 2HG2 THR 97 -10.021 -10.812 -7.345 759 H GLY 98 H GLY 98 -9.228 -8.504 -5.888 760 HA2 GLY 98 2HA GLY 98 -9.669 -6.853 -7.432 761 HA3 GLY 98 1HA GLY 98 -11.278 -7.532 -7.635 762 H GLU 99 H GLU 99 -10.115 -6.647 -4.496 763 HA GLU 99 HA GLU 99 -11.866 -4.288 -4.541 764 HB2 GLU 99 2HB GLU 99 -12.871 -6.134 -3.267 765 HB3 GLU 99 1HB GLU 99 -11.430 -6.238 -2.270 766 HG2 GLU 99 2HG GLU 99 -11.873 -4.121 -1.281 767 HG3 GLU 99 1HG GLU 99 -13.171 -3.796 -2.429 768 H MET 100 H MET 100 -11.111 -2.454 -3.582 769 HA MET 100 HA MET 100 -8.354 -2.535 -2.550 770 HB2 MET 100 2HB MET 100 -8.422 -1.591 -4.817 771 HB3 MET 100 1HB MET 100 -9.628 -0.426 -4.302 772 HG2 MET 100 2HG MET 100 -8.024 0.626 -2.825 773 HG3 MET 100 1HG MET 100 -6.813 -0.582 -3.251 774 HE1 MET 100 3HE MET 100 -9.052 2.353 -4.601 775 HE2 MET 100 1HE MET 100 -9.388 1.068 -5.761 776 HE3 MET 100 2HE MET 100 -8.489 2.499 -6.265 777 H SER 101 H SER 101 -7.942 -1.374 -0.726 778 HA SER 101 HA SER 101 -10.248 -0.222 0.641 779 HB2 SER 101 2HB SER 101 -8.671 -0.189 2.607 780 HB3 SER 101 1HB SER 101 -8.990 -1.793 1.946 781 HG SER 101 HG SER 101 -6.737 -1.293 2.384 782 H GLY 102 H GLY 102 -9.575 1.732 2.124 783 HA2 GLY 102 2HA GLY 102 -8.608 3.796 0.323 784 HA3 GLY 102 1HA GLY 102 -9.379 4.043 1.884 785 HA PRO 103 HA PRO 103 -4.853 4.981 2.352 786 HB2 PRO 103 2HB PRO 103 -5.918 7.040 4.177 787 HB3 PRO 103 1HB PRO 103 -4.798 7.216 2.823 788 HG2 PRO 103 2HG PRO 103 -7.320 8.110 2.673 789 HG3 PRO 103 1HG PRO 103 -6.498 7.406 1.268 790 HD2 PRO 103 2HD PRO 103 -8.507 6.160 3.107 791 HD3 PRO 103 1HD PRO 103 -8.388 6.063 1.336 792 H VAL 104 H VAL 104 -4.286 3.207 3.569 793 HA VAL 104 HA VAL 104 -5.221 2.976 6.318 794 HB VAL 104 HB VAL 104 -3.273 1.228 4.788 795 HG11 VAL 104 1HG1 VAL 104 -4.684 0.754 7.413 796 HG12 VAL 104 2HG1 VAL 104 -2.962 1.063 7.197 797 HG13 VAL 104 3HG1 VAL 104 -3.678 -0.418 6.562 798 HG21 VAL 104 3HG2 VAL 104 -5.145 -0.347 4.581 799 HG22 VAL 104 1HG2 VAL 104 -5.491 1.186 3.779 800 HG23 VAL 104 2HG2 VAL 104 -6.213 0.829 5.349 801 H PHE 105 H PHE 105 -4.247 4.164 7.812 802 HA PHE 105 HA PHE 105 -1.574 5.196 7.418 803 HB2 PHE 105 2HB PHE 105 -3.516 5.582 9.704 804 HB3 PHE 105 1HB PHE 105 -1.995 6.442 9.506 805 HD1 PHE 105 1HD PHE 105 -1.738 8.111 7.732 806 HD2 PHE 105 2HD PHE 105 -5.456 6.165 8.432 807 HE1 PHE 105 1HE PHE 105 -2.888 9.841 6.413 808 HE2 PHE 105 2HE PHE 105 -6.612 7.889 7.113 809 HZ PHE 105 HZ PHE 105 -5.329 9.730 6.102 810 H THR 106 H THR 106 0.230 4.684 8.560 811 HA THR 106 HA THR 106 0.081 2.789 10.785 812 HB THR 106 HB THR 106 2.007 1.488 9.822 813 HG1 THR 106 1HG THR 106 1.391 3.140 7.603 814 HG21 THR 106 3HG2 THR 106 0.662 0.134 8.270 815 HG22 THR 106 1HG2 THR 106 -0.537 1.426 8.186 816 HG23 THR 106 2HG2 THR 106 -0.263 0.575 9.706 817 H ASP 107 H ASP 107 2.574 2.436 11.483 818 HA ASP 107 HA ASP 107 3.523 4.943 12.349 819 HB2 ASP 107 2HB ASP 107 5.474 3.716 13.206 820 HB3 ASP 107 1HB ASP 107 3.978 2.876 13.592 821 H SER 108 H SER 108 4.170 3.062 9.527 822 HA SER 108 HA SER 108 6.566 4.545 8.870 823 HB2 SER 108 2HB SER 108 5.137 2.452 7.231 824 HB3 SER 108 1HB SER 108 6.796 3.017 7.032 825 HG SER 108 HG SER 108 6.322 2.141 9.579 826 H GLY 109 H GLY 109 3.346 4.028 7.386 827 HA2 GLY 109 2HA GLY 109 3.074 6.705 6.575 828 HA3 GLY 109 1HA GLY 109 3.741 5.781 5.238 829 H ILE 110 H ILE 110 1.830 6.290 4.066 830 HA ILE 110 HA ILE 110 -0.621 5.013 5.021 831 HB ILE 110 HB ILE 110 -0.251 6.762 2.582 832 HG12 ILE 110 2HG1 ILE 110 -1.242 7.546 5.336 833 HG13 ILE 110 1HG1 ILE 110 0.341 7.953 4.683 834 HG21 ILE 110 1HG2 ILE 110 -2.707 5.895 4.108 835 HG22 ILE 110 2HG2 ILE 110 -2.229 5.355 2.498 836 HG23 ILE 110 3HG2 ILE 110 -2.696 7.035 2.763 837 HD11 ILE 110 3HD1 ILE 110 -1.192 9.827 4.529 838 HD12 ILE 110 1HD1 ILE 110 -2.311 8.851 3.578 839 HD13 ILE 110 2HD1 ILE 110 -0.726 9.265 2.924 840 H HIS 111 H HIS 111 -1.466 3.245 4.079 841 HA HIS 111 HA HIS 111 -0.007 2.099 1.778 842 HB2 HIS 111 2HB HIS 111 -1.469 0.589 3.959 843 HB3 HIS 111 1HB HIS 111 -0.568 -0.119 2.630 844 HD1 HIS 111 1HD HIS 111 1.785 -0.737 3.156 845 HD2 HIS 111 2HD HIS 111 0.277 2.080 5.801 846 HE1 HIS 111 1HE HIS 111 3.534 -0.480 4.934 847 HE2 HIS 111 2HE HIS 111 2.451 0.988 6.655 848 H ILE 112 H ILE 112 -1.181 1.219 0.127 849 HA ILE 112 HA ILE 112 -4.123 1.388 0.297 850 HB ILE 112 HB ILE 112 -2.431 1.508 -2.220 851 HG12 ILE 112 2HG1 ILE 112 -3.878 3.759 -0.801 852 HG13 ILE 112 1HG1 ILE 112 -2.131 3.543 -0.854 853 HG21 ILE 112 1HG2 ILE 112 -5.383 1.957 -1.782 854 HG22 ILE 112 2HG2 ILE 112 -4.646 0.566 -2.576 855 HG23 ILE 112 3HG2 ILE 112 -4.532 2.164 -3.312 856 HD11 ILE 112 3HD1 ILE 112 -2.806 5.231 -2.441 857 HD12 ILE 112 1HD1 ILE 112 -3.939 4.109 -3.195 858 HD13 ILE 112 2HD1 ILE 112 -2.205 3.815 -3.301 859 H ILE 113 H ILE 113 -5.131 -0.556 0.178 860 HA ILE 113 HA ILE 113 -3.475 -2.877 -0.559 861 HB ILE 113 HB ILE 113 -6.052 -2.934 1.011 862 HG12 ILE 113 2HG1 ILE 113 -3.233 -2.940 2.109 863 HG13 ILE 113 1HG1 ILE 113 -4.320 -1.558 2.163 864 HG21 ILE 113 1HG2 ILE 113 -5.237 -5.140 1.726 865 HG22 ILE 113 2HG2 ILE 113 -3.815 -4.939 0.703 866 HG23 ILE 113 3HG2 ILE 113 -5.418 -5.043 -0.026 867 HD11 ILE 113 3HD1 ILE 113 -4.262 -2.731 4.287 868 HD12 ILE 113 1HD1 ILE 113 -4.779 -4.218 3.493 869 HD13 ILE 113 2HD1 ILE 113 -5.864 -2.829 3.557 870 H LEU 114 H LEU 114 -3.929 -3.930 -2.366 871 HA LEU 114 HA LEU 114 -6.700 -3.978 -3.343 872 HB2 LEU 114 2HB LEU 114 -5.536 -2.421 -4.765 873 HB3 LEU 114 1HB LEU 114 -4.190 -3.524 -4.959 874 HG LEU 114 HG LEU 114 -5.665 -5.067 -6.220 875 HD11 LEU 114 1HD1 LEU 114 -7.680 -2.835 -6.103 876 HD12 LEU 114 2HD1 LEU 114 -7.797 -4.351 -5.211 877 HD13 LEU 114 3HD1 LEU 114 -7.837 -4.360 -6.973 878 HD21 LEU 114 3HD2 LEU 114 -5.815 -3.690 -8.246 879 HD22 LEU 114 1HD2 LEU 114 -4.270 -3.494 -7.418 880 HD23 LEU 114 2HD2 LEU 114 -5.512 -2.250 -7.275 881 H ARG 115 H ARG 115 -7.355 -6.031 -3.194 882 HA ARG 115 HA ARG 115 -5.471 -8.185 -3.066 883 HB2 ARG 115 2HB ARG 115 -8.446 -8.028 -2.927 884 HB3 ARG 115 1HB ARG 115 -7.683 -9.581 -3.222 885 HG2 ARG 115 2HG ARG 115 -6.318 -9.164 -1.139 886 HG3 ARG 115 1HG ARG 115 -7.398 -7.804 -0.820 887 HD2 ARG 115 2HD ARG 115 -8.083 -9.874 0.354 888 HD3 ARG 115 1HD ARG 115 -9.311 -9.279 -0.764 889 HE ARG 115 HE ARG 115 -7.735 -11.136 -2.138 890 HH11 ARG 115 1HH1 ARG 115 -10.024 -11.128 0.532 891 HH12 ARG 115 2HH1 ARG 115 -10.542 -12.755 0.240 892 HH21 ARG 115 1HH2 ARG 115 -8.421 -13.261 -2.506 893 HH22 ARG 115 2HH2 ARG 115 -9.623 -13.982 -1.478 894 H THR 116 H THR 116 -4.447 -8.861 -4.768 895 HA THR 116 HA THR 116 -5.436 -8.754 -7.431 896 HB THR 116 HB THR 116 -3.179 -10.453 -6.340 897 HG1 THR 116 1HG THR 116 -2.566 -8.033 -7.529 898 HG21 THR 116 3HG2 THR 116 -2.251 -10.218 -8.599 899 HG22 THR 116 1HG2 THR 116 -3.662 -9.279 -9.083 900 HG23 THR 116 2HG2 THR 116 -3.842 -10.976 -8.642 901 H GLU 117 H GLU 117 -4.946 -11.322 -5.039 902 HA GLU 117 HA GLU 117 -7.051 -12.890 -6.327 903 HB2 GLU 117 2HB GLU 117 -4.398 -14.008 -5.382 904 HB3 GLU 117 1HB GLU 117 -5.780 -14.972 -5.856 905 HG2 GLU 117 2HG GLU 117 -5.635 -14.019 -8.122 906 HG3 GLU 117 1HG GLU 117 -4.189 -13.137 -7.630 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -11.217 -30.754 2.335 2 H2 GLY 1 2HT GLY 1 -12.609 -31.171 3.189 3 H3 GLY 1 3HT GLY 1 -11.083 -31.583 3.802 4 HA2 GLY 1 1HA GLY 1 -11.949 -29.706 4.996 5 HA3 GLY 1 2HA GLY 1 -10.540 -29.243 4.051 6 H SER 2 H SER 2 -12.273 -27.334 4.893 7 HA SER 2 HA SER 2 -13.403 -26.426 2.360 8 HB2 SER 2 2HB SER 2 -15.254 -27.379 3.738 9 HB3 SER 2 1HB SER 2 -14.853 -26.232 5.014 10 HG SER 2 HG SER 2 -16.175 -24.958 4.003 11 H HIS 3 H HIS 3 -12.943 -24.338 1.953 12 HA HIS 3 HA HIS 3 -11.319 -22.941 3.912 13 HB2 HIS 3 2HB HIS 3 -11.822 -22.557 0.987 14 HB3 HIS 3 1HB HIS 3 -11.167 -21.234 1.940 15 HD1 HIS 3 1HD HIS 3 -9.771 -23.095 -0.378 16 HD2 HIS 3 2HD HIS 3 -9.027 -23.056 3.714 17 HE1 HIS 3 1HE HIS 3 -7.435 -23.976 -0.105 18 HE2 HIS 3 2HE HIS 3 -7.053 -24.063 2.382 19 H MET 4 H MET 4 -12.319 -21.797 5.367 20 HA MET 4 HA MET 4 -14.697 -20.246 4.612 21 HB2 MET 4 2HB MET 4 -14.719 -21.869 6.616 22 HB3 MET 4 1HB MET 4 -13.657 -20.723 7.414 23 HG2 MET 4 2HG MET 4 -16.400 -20.036 6.375 24 HG3 MET 4 1HG MET 4 -16.069 -20.540 8.027 25 HE1 MET 4 3HE MET 4 -16.804 -16.757 8.544 26 HE2 MET 4 1HE MET 4 -17.172 -18.406 9.052 27 HE3 MET 4 2HE MET 4 -17.614 -17.863 7.434 28 H GLU 5 H GLU 5 -14.077 -18.340 3.866 29 HA GLU 5 HA GLU 5 -13.143 -16.297 3.670 30 HB2 GLU 5 2HB GLU 5 -12.181 -16.825 6.482 31 HB3 GLU 5 1HB GLU 5 -11.765 -15.361 5.608 32 HG2 GLU 5 2HG GLU 5 -14.243 -14.970 5.342 33 HG3 GLU 5 1HG GLU 5 -14.476 -16.283 6.498 34 HA PRO 6 HA PRO 6 -9.244 -17.219 1.914 35 HB2 PRO 6 2HB PRO 6 -8.212 -14.720 1.601 36 HB3 PRO 6 1HB PRO 6 -9.492 -15.371 0.572 37 HG2 PRO 6 2HG PRO 6 -9.698 -13.522 2.915 38 HG3 PRO 6 1HG PRO 6 -10.552 -13.461 1.363 39 HD2 PRO 6 2HD PRO 6 -11.696 -14.421 3.616 40 HD3 PRO 6 1HD PRO 6 -12.089 -15.052 2.003 41 H ALA 7 H ALA 7 -7.783 -18.199 3.164 42 HA ALA 7 HA ALA 7 -6.725 -16.939 5.546 43 HB1 ALA 7 1HB ALA 7 -5.504 -19.038 5.850 44 HB2 ALA 7 2HB ALA 7 -6.027 -19.579 4.256 45 HB3 ALA 7 3HB ALA 7 -7.213 -19.340 5.539 46 H ARG 8 H ARG 8 -5.844 -17.461 2.266 47 HA ARG 8 HA ARG 8 -3.321 -16.006 2.689 48 HB2 ARG 8 2HB ARG 8 -3.859 -18.258 0.735 49 HB3 ARG 8 1HB ARG 8 -2.408 -17.268 0.736 50 HG2 ARG 8 2HG ARG 8 -1.841 -18.094 2.960 51 HG3 ARG 8 1HG ARG 8 -3.304 -19.080 2.968 52 HD2 ARG 8 2HD ARG 8 -2.501 -20.375 1.104 53 HD3 ARG 8 1HD ARG 8 -1.106 -19.314 0.918 54 HE ARG 8 HE ARG 8 -1.040 -20.319 3.505 55 HH11 ARG 8 1HH1 ARG 8 -0.842 -21.596 0.246 56 HH12 ARG 8 2HH1 ARG 8 0.211 -22.898 0.683 57 HH21 ARG 8 1HH2 ARG 8 0.351 -22.050 4.082 58 HH22 ARG 8 2HH2 ARG 8 0.905 -23.151 2.867 59 H VAL 9 H VAL 9 -3.330 -14.109 1.630 60 HA VAL 9 HA VAL 9 -4.985 -13.901 -0.802 61 HB VAL 9 HB VAL 9 -5.610 -11.600 -0.211 62 HG11 VAL 9 1HG1 VAL 9 -7.147 -13.375 0.356 63 HG12 VAL 9 2HG1 VAL 9 -7.201 -12.107 1.582 64 HG13 VAL 9 3HG1 VAL 9 -6.337 -13.611 1.905 65 HG21 VAL 9 3HG2 VAL 9 -4.272 -12.163 2.436 66 HG22 VAL 9 1HG2 VAL 9 -5.235 -10.737 2.054 67 HG23 VAL 9 2HG2 VAL 9 -3.714 -11.025 1.210 68 H ARG 10 H ARG 10 -4.260 -12.477 -2.399 69 HA ARG 10 HA ARG 10 -1.442 -11.699 -2.119 70 HB2 ARG 10 2HB ARG 10 -2.033 -13.103 -4.073 71 HB3 ARG 10 1HB ARG 10 -3.167 -11.858 -4.586 72 HG2 ARG 10 2HG ARG 10 -1.341 -10.281 -4.867 73 HG3 ARG 10 1HG ARG 10 -0.192 -11.507 -4.334 74 HD2 ARG 10 2HD ARG 10 -0.863 -12.917 -6.230 75 HD3 ARG 10 1HD ARG 10 -1.950 -11.640 -6.773 76 HE ARG 10 HE ARG 10 0.594 -10.526 -6.499 77 HH11 ARG 10 1HH1 ARG 10 -1.039 -12.938 -8.473 78 HH12 ARG 10 2HH1 ARG 10 -0.008 -12.690 -9.841 79 HH21 ARG 10 1HH2 ARG 10 1.940 -10.190 -8.325 80 HH22 ARG 10 2HH2 ARG 10 1.696 -11.124 -9.757 81 H CYS 11 H CYS 11 -0.929 -9.610 -1.934 82 HA CYS 11 HA CYS 11 -2.960 -7.655 -2.706 83 HB2 CYS 11 2HB CYS 11 -1.478 -7.619 -0.078 84 HB3 CYS 11 1HB CYS 11 -2.618 -6.404 -0.644 85 HG CYS 11 HG CYS 11 -4.081 -9.311 -0.781 86 H SER 12 H SER 12 -2.249 -5.929 -3.686 87 HA SER 12 HA SER 12 0.611 -5.518 -3.982 88 HB2 SER 12 2HB SER 12 -1.709 -4.059 -5.282 89 HB3 SER 12 1HB SER 12 -0.014 -3.970 -5.759 90 HG SER 12 HG SER 12 -0.506 -6.498 -5.852 91 H HIS 13 H HIS 13 1.489 -3.354 -3.517 92 HA HIS 13 HA HIS 13 -0.150 -1.841 -1.633 93 HB2 HIS 13 2HB HIS 13 1.508 -1.908 0.134 94 HB3 HIS 13 1HB HIS 13 1.006 -3.540 -0.287 95 HD1 HIS 13 1HD HIS 13 3.910 -1.878 0.641 96 HD2 HIS 13 2HD HIS 13 3.044 -4.531 -2.428 97 HE1 HIS 13 1HE HIS 13 6.116 -2.809 -0.081 98 HE2 HIS 13 2HE HIS 13 5.575 -4.474 -1.885 99 H LEU 14 H LEU 14 0.135 0.236 -1.725 100 HA LEU 14 HA LEU 14 2.525 1.290 -3.082 101 HB2 LEU 14 2HB LEU 14 0.124 1.634 -4.052 102 HB3 LEU 14 1HB LEU 14 -0.075 2.775 -2.741 103 HG LEU 14 HG LEU 14 2.119 3.025 -4.798 104 HD11 LEU 14 1HD1 LEU 14 -0.616 4.290 -4.805 105 HD12 LEU 14 2HD1 LEU 14 -0.024 3.076 -5.939 106 HD13 LEU 14 3HD1 LEU 14 0.704 4.682 -5.905 107 HD21 LEU 14 3HD2 LEU 14 2.165 5.354 -4.059 108 HD22 LEU 14 1HD2 LEU 14 2.472 4.256 -2.713 109 HD23 LEU 14 2HD2 LEU 14 0.889 5.014 -2.890 110 H LEU 15 H LEU 15 3.875 2.341 -1.776 111 HA LEU 15 HA LEU 15 2.824 3.305 0.799 112 HB2 LEU 15 2HB LEU 15 4.166 1.421 1.277 113 HB3 LEU 15 1HB LEU 15 5.407 1.919 0.148 114 HG LEU 15 HG LEU 15 6.054 3.753 1.639 115 HD11 LEU 15 1HD1 LEU 15 3.941 2.667 3.487 116 HD12 LEU 15 2HD1 LEU 15 3.902 4.221 2.654 117 HD13 LEU 15 3HD1 LEU 15 5.122 3.912 3.890 118 HD21 LEU 15 3HD2 LEU 15 6.976 2.393 3.465 119 HD22 LEU 15 1HD2 LEU 15 7.166 1.614 1.894 120 HD23 LEU 15 2HD2 LEU 15 5.908 1.068 3.002 121 H VAL 16 H VAL 16 2.889 5.401 0.991 122 HA VAL 16 HA VAL 16 5.104 6.862 -0.276 123 HB VAL 16 HB VAL 16 2.327 7.893 0.394 124 HG11 VAL 16 1HG1 VAL 16 4.672 9.338 -0.844 125 HG12 VAL 16 2HG1 VAL 16 4.021 9.613 0.771 126 HG13 VAL 16 3HG1 VAL 16 3.046 9.993 -0.648 127 HG21 VAL 16 3HG2 VAL 16 2.099 8.188 -2.029 128 HG22 VAL 16 1HG2 VAL 16 2.372 6.498 -1.607 129 HG23 VAL 16 2HG2 VAL 16 3.691 7.467 -2.265 130 H LYS 17 H LYS 17 6.580 7.105 1.246 131 HA LYS 17 HA LYS 17 5.893 7.410 4.021 132 HB2 LYS 17 2HB LYS 17 8.583 7.760 2.697 133 HB3 LYS 17 1HB LYS 17 8.283 7.522 4.410 134 HG2 LYS 17 2HG LYS 17 7.453 5.266 3.937 135 HG3 LYS 17 1HG LYS 17 7.784 5.516 2.221 136 HD2 LYS 17 2HD LYS 17 10.169 5.899 2.783 137 HD3 LYS 17 1HD LYS 17 9.800 5.519 4.467 138 HE2 LYS 17 2HE LYS 17 9.044 3.292 3.787 139 HE3 LYS 17 1HE LYS 17 9.429 3.676 2.111 140 HZ1 LYS 17 3HZ LYS 17 11.229 2.456 2.959 141 HZ2 LYS 17 1HZ LYS 17 11.304 3.370 4.378 142 HZ3 LYS 17 2HZ LYS 17 11.768 4.054 2.905 143 H HIS 18 H HIS 18 7.156 9.234 5.212 144 HA HIS 18 HA HIS 18 7.388 11.689 3.776 145 HB2 HIS 18 2HB HIS 18 5.732 12.951 5.163 146 HB3 HIS 18 1HB HIS 18 5.004 11.801 4.057 147 HD1 HIS 18 1HD HIS 18 4.879 12.901 7.489 148 HD2 HIS 18 2HD HIS 18 4.184 9.323 5.483 149 HE1 HIS 18 1HE HIS 18 3.450 11.521 9.028 150 HE2 HIS 18 2HE HIS 18 2.855 9.486 7.694 151 H SER 19 H SER 19 7.820 13.529 5.399 152 HA SER 19 HA SER 19 10.202 13.034 6.651 153 HB2 SER 19 2HB SER 19 9.307 15.267 6.046 154 HB3 SER 19 1HB SER 19 8.197 15.168 7.410 155 HG SER 19 HG SER 19 10.049 16.347 7.947 156 H GLN 20 H GLN 20 7.008 13.184 8.218 157 HA GLN 20 HA GLN 20 8.097 12.402 10.758 158 HB2 GLN 20 2HB GLN 20 5.187 12.512 9.937 159 HB3 GLN 20 1HB GLN 20 5.813 12.448 11.577 160 HG2 GLN 20 2HG GLN 20 5.359 14.664 11.431 161 HG3 GLN 20 1HG GLN 20 7.016 14.673 10.836 162 HE21 GLN 20 1HE2 GLN 20 4.920 16.571 10.354 163 HE22 GLN 20 2HE2 GLN 20 4.691 16.651 8.640 164 H SER 21 H SER 21 9.091 10.418 10.295 165 HA SER 21 HA SER 21 7.339 8.183 10.618 166 HB2 SER 21 2HB SER 21 8.160 6.944 8.622 167 HB3 SER 21 1HB SER 21 7.217 8.369 8.188 168 HG SER 21 HG SER 21 9.048 9.419 7.599 169 H ARG 22 H ARG 22 8.754 6.100 10.567 170 HA ARG 22 HA ARG 22 11.003 6.658 12.301 171 HB2 ARG 22 2HB ARG 22 11.060 4.227 12.655 172 HB3 ARG 22 1HB ARG 22 9.471 4.908 12.964 173 HG2 ARG 22 2HG ARG 22 8.773 4.142 10.705 174 HG3 ARG 22 1HG ARG 22 10.339 3.344 10.544 175 HD2 ARG 22 2HD ARG 22 9.862 1.986 12.508 176 HD3 ARG 22 1HD ARG 22 8.320 2.811 12.716 177 HE ARG 22 HE ARG 22 8.681 1.527 10.156 178 HH11 ARG 22 1HH1 ARG 22 7.517 1.177 13.451 179 HH12 ARG 22 2HH1 ARG 22 6.450 -0.131 13.071 180 HH21 ARG 22 1HH2 ARG 22 7.264 -0.221 9.655 181 HH22 ARG 22 2HH2 ARG 22 6.321 -0.940 10.913 182 H ARG 23 H ARG 23 10.610 6.364 9.023 183 HA ARG 23 HA ARG 23 13.411 6.263 8.552 184 HB2 ARG 23 2HB ARG 23 12.845 3.829 8.899 185 HB3 ARG 23 1HB ARG 23 11.828 3.928 7.472 186 HG2 ARG 23 2HG ARG 23 13.715 4.347 6.069 187 HG3 ARG 23 1HG ARG 23 14.778 4.525 7.468 188 HD2 ARG 23 2HD ARG 23 13.342 2.011 6.613 189 HD3 ARG 23 1HD ARG 23 15.071 2.330 6.462 190 HE ARG 23 HE ARG 23 14.775 2.614 9.072 191 HH11 ARG 23 1HH1 ARG 23 13.482 0.123 6.956 192 HH12 ARG 23 2HH1 ARG 23 13.410 -1.079 8.195 193 HH21 ARG 23 1HH2 ARG 23 14.674 1.016 10.723 194 HH22 ARG 23 2HH2 ARG 23 14.077 -0.562 10.353 195 HA PRO 24 HA PRO 24 10.890 8.426 5.346 196 HB2 PRO 24 2HB PRO 24 12.054 10.827 5.549 197 HB3 PRO 24 1HB PRO 24 10.847 10.292 6.725 198 HG2 PRO 24 2HG PRO 24 13.829 10.332 6.959 199 HG3 PRO 24 1HG PRO 24 12.607 10.786 8.159 200 HD2 PRO 24 2HD PRO 24 13.905 8.359 8.110 201 HD3 PRO 24 1HD PRO 24 12.313 8.624 8.847 202 H SER 25 H SER 25 12.935 6.647 4.684 203 HA SER 25 HA SER 25 14.289 8.136 2.560 204 HB2 SER 25 2HB SER 25 15.638 6.110 4.363 205 HB3 SER 25 1HB SER 25 16.370 6.877 2.953 206 HG SER 25 HG SER 25 16.431 8.786 3.984 207 H SER 26 H SER 26 14.813 6.867 0.713 208 HA SER 26 HA SER 26 14.127 4.088 0.602 209 HB2 SER 26 2HB SER 26 11.895 5.214 0.417 210 HB3 SER 26 1HB SER 26 12.471 6.030 -1.037 211 H TRP 27 H TRP 27 13.891 3.815 -2.132 212 HA TRP 27 HA TRP 27 16.599 4.427 -2.942 213 HB2 TRP 27 2HB TRP 27 16.068 3.064 -4.960 214 HB3 TRP 27 1HB TRP 27 15.814 2.209 -3.446 215 HD1 TRP 27 HD TRP 27 13.274 1.656 -2.765 216 HE1 TRP 27 1HE TRP 27 11.138 1.458 -4.174 217 HE3 TRP 27 3HE TRP 27 14.881 4.024 -7.003 218 HZ2 TRP 27 2HZ TRP 27 10.246 2.205 -6.745 219 HZ3 TRP 27 3HZ TRP 27 13.321 4.237 -8.893 220 HH2 TRP 27 HH TRP 27 11.052 3.345 -8.763 221 H ARG 28 H ARG 28 13.490 5.767 -3.405 222 HA ARG 28 HA ARG 28 14.166 7.127 -5.858 223 HB2 ARG 28 2HB ARG 28 11.891 7.716 -3.959 224 HB3 ARG 28 1HB ARG 28 12.046 8.284 -5.612 225 HG2 ARG 28 2HG ARG 28 11.995 5.844 -6.301 226 HG3 ARG 28 1HG ARG 28 11.489 5.500 -4.645 227 HD2 ARG 28 2HD ARG 28 10.079 7.194 -6.694 228 HD3 ARG 28 1HD ARG 28 9.517 5.689 -5.969 229 HE ARG 28 HE ARG 28 9.619 7.105 -3.799 230 HH11 ARG 28 1HH1 ARG 28 8.676 8.276 -6.975 231 HH12 ARG 28 2HH1 ARG 28 7.631 9.501 -6.355 232 HH21 ARG 28 1HH2 ARG 28 8.188 8.685 -2.970 233 HH22 ARG 28 2HH2 ARG 28 7.327 9.729 -4.064 234 H GLN 29 H GLN 29 13.438 8.214 -2.557 235 HA GLN 29 HA GLN 29 15.283 10.463 -2.989 236 HB2 GLN 29 2HB GLN 29 12.847 10.320 -1.202 237 HB3 GLN 29 1HB GLN 29 13.966 11.672 -1.268 238 HG2 GLN 29 2HG GLN 29 13.377 12.006 -3.638 239 HG3 GLN 29 1HG GLN 29 12.205 10.697 -3.505 240 HE21 GLN 29 1HE2 GLN 29 12.823 13.003 -0.949 241 HE22 GLN 29 2HE2 GLN 29 11.296 13.806 -1.054 242 H GLU 30 H GLU 30 16.909 10.726 -1.566 243 HA GLU 30 HA GLU 30 17.468 8.602 0.262 244 HB2 GLU 30 2HB GLU 30 19.482 9.961 0.838 245 HB3 GLU 30 1HB GLU 30 19.319 9.632 -0.880 246 HG2 GLU 30 2HG GLU 30 18.412 11.886 -1.208 247 HG3 GLU 30 1HG GLU 30 18.624 12.205 0.512 248 H LYS 31 H LYS 31 16.189 11.827 0.476 249 HA LYS 31 HA LYS 31 15.379 11.258 3.207 250 HB2 LYS 31 2HB LYS 31 15.932 13.606 3.892 251 HB3 LYS 31 1HB LYS 31 17.332 12.593 3.582 252 HG2 LYS 31 2HG LYS 31 17.623 13.648 1.400 253 HG3 LYS 31 1HG LYS 31 16.197 14.644 1.689 254 HD2 LYS 31 2HD LYS 31 18.222 15.910 2.146 255 HD3 LYS 31 1HD LYS 31 17.313 15.652 3.633 256 HE2 LYS 31 2HE LYS 31 19.695 15.312 4.009 257 HE3 LYS 31 1HE LYS 31 18.813 13.805 4.227 258 HZ1 LYS 31 3HZ LYS 31 20.878 13.543 2.962 259 HZ2 LYS 31 1HZ LYS 31 20.283 14.560 1.756 260 HZ3 LYS 31 2HZ LYS 31 19.536 13.075 2.065 261 H ILE 32 H ILE 32 13.281 11.325 3.174 262 HA ILE 32 HA ILE 32 11.872 12.803 1.147 263 HB ILE 32 HB ILE 32 10.872 11.057 3.401 264 HG12 ILE 32 2HG1 ILE 32 11.070 10.554 0.424 265 HG13 ILE 32 1HG1 ILE 32 12.199 9.937 1.623 266 HG21 ILE 32 1HG2 ILE 32 9.372 12.291 1.094 267 HG22 ILE 32 2HG2 ILE 32 9.186 12.697 2.800 268 HG23 ILE 32 3HG2 ILE 32 8.718 11.098 2.217 269 HD11 ILE 32 3HD1 ILE 32 10.602 8.246 0.943 270 HD12 ILE 32 1HD1 ILE 32 9.272 9.286 1.453 271 HD13 ILE 32 2HD1 ILE 32 10.409 8.655 2.648 272 H THR 33 H THR 33 11.234 14.801 1.336 273 HA THR 33 HA THR 33 11.330 16.108 3.935 274 HB THR 33 HB THR 33 11.171 18.201 2.507 275 HG1 THR 33 1HG THR 33 11.913 17.602 0.240 276 HG21 THR 33 3HG2 THR 33 13.516 18.053 1.773 277 HG22 THR 33 1HG2 THR 33 13.476 16.307 2.011 278 HG23 THR 33 2HG2 THR 33 13.307 17.390 3.393 279 H ARG 34 H ARG 34 9.001 14.939 1.710 280 HA ARG 34 HA ARG 34 6.976 16.859 1.994 281 HB2 ARG 34 2HB ARG 34 5.480 15.289 1.041 282 HB3 ARG 34 1HB ARG 34 7.042 14.951 0.315 283 HG2 ARG 34 2HG ARG 34 7.315 13.116 1.996 284 HG3 ARG 34 1HG ARG 34 5.637 13.394 2.464 285 HD2 ARG 34 2HD ARG 34 5.663 11.601 0.896 286 HD3 ARG 34 1HD ARG 34 4.998 13.014 0.079 287 HE ARG 34 HE ARG 34 7.153 13.291 -1.013 288 HH11 ARG 34 1HH1 ARG 34 6.542 10.173 0.500 289 HH12 ARG 34 2HH1 ARG 34 7.682 9.332 -0.514 290 HH21 ARG 34 1HH2 ARG 34 8.691 12.155 -2.306 291 HH22 ARG 34 2HH2 ARG 34 8.901 10.453 -2.066 292 H THR 35 H THR 35 5.321 17.132 3.418 293 HA THR 35 HA THR 35 5.804 16.007 6.034 294 HB THR 35 HB THR 35 5.374 18.453 5.747 295 HG1 THR 35 1HG THR 35 4.057 18.585 7.573 296 HG21 THR 35 3HG2 THR 35 3.090 19.239 5.395 297 HG22 THR 35 1HG2 THR 35 2.537 17.577 5.189 298 HG23 THR 35 2HG2 THR 35 3.632 18.294 4.008 299 H LYS 36 H LYS 36 3.588 15.774 7.318 300 HA LYS 36 HA LYS 36 2.535 13.285 6.573 301 HB2 LYS 36 2HB LYS 36 2.671 13.955 8.881 302 HB3 LYS 36 1HB LYS 36 1.622 15.331 8.592 303 HG2 LYS 36 2HG LYS 36 -0.248 13.846 8.176 304 HG3 LYS 36 1HG LYS 36 0.804 12.444 8.392 305 HD2 LYS 36 2HD LYS 36 1.176 12.993 10.691 306 HD3 LYS 36 1HD LYS 36 0.352 14.542 10.506 307 HE2 LYS 36 2HE LYS 36 -1.078 12.917 11.624 308 HE3 LYS 36 1HE LYS 36 -1.746 13.380 10.063 309 HZ1 LYS 36 3HZ LYS 36 -1.894 11.005 10.443 310 HZ2 LYS 36 1HZ LYS 36 -0.219 10.890 10.611 311 HZ3 LYS 36 2HZ LYS 36 -0.898 11.332 9.125 312 H GLU 37 H GLU 37 0.934 16.468 6.674 313 HA GLU 37 HA GLU 37 -1.494 15.667 5.561 314 HB2 GLU 37 2HB GLU 37 -0.167 18.374 5.319 315 HB3 GLU 37 1HB GLU 37 -1.865 18.040 5.026 316 HG2 GLU 37 2HG GLU 37 -1.904 18.922 7.147 317 HG3 GLU 37 1HG GLU 37 -1.859 17.193 7.477 318 H GLU 38 H GLU 38 1.434 16.839 3.992 319 HA GLU 38 HA GLU 38 0.414 17.055 1.393 320 HB2 GLU 38 2HB GLU 38 2.483 18.122 1.997 321 HB3 GLU 38 1HB GLU 38 3.226 16.574 2.366 322 HG2 GLU 38 2HG GLU 38 3.234 15.951 0.068 323 HG3 GLU 38 1HG GLU 38 2.263 17.357 -0.367 324 H ALA 39 H ALA 39 2.131 14.365 2.966 325 HA ALA 39 HA ALA 39 2.244 12.658 0.755 326 HB1 ALA 39 1HB ALA 39 2.563 10.850 2.360 327 HB2 ALA 39 2HB ALA 39 2.004 11.899 3.664 328 HB3 ALA 39 3HB ALA 39 3.502 12.272 2.812 329 H LEU 40 H LEU 40 -0.320 13.243 3.066 330 HA LEU 40 HA LEU 40 -1.961 11.062 2.345 331 HB2 LEU 40 2HB LEU 40 -2.196 12.267 4.454 332 HB3 LEU 40 1HB LEU 40 -2.690 13.708 3.591 333 HG LEU 40 HG LEU 40 -4.747 12.612 2.875 334 HD11 LEU 40 1HD1 LEU 40 -3.737 10.240 4.440 335 HD12 LEU 40 2HD1 LEU 40 -3.947 10.325 2.691 336 HD13 LEU 40 3HD1 LEU 40 -5.352 10.403 3.752 337 HD21 LEU 40 3HD2 LEU 40 -4.760 13.808 4.982 338 HD22 LEU 40 1HD2 LEU 40 -4.209 12.362 5.827 339 HD23 LEU 40 2HD2 LEU 40 -5.804 12.390 5.082 340 H GLU 41 H GLU 41 -1.661 14.342 1.104 341 HA GLU 41 HA GLU 41 -3.983 14.323 -0.511 342 HB2 GLU 41 2HB GLU 41 -1.408 15.853 -0.909 343 HB3 GLU 41 1HB GLU 41 -2.936 16.195 -1.708 344 HG2 GLU 41 2HG GLU 41 -2.397 16.374 1.244 345 HG3 GLU 41 1HG GLU 41 -2.549 17.723 0.121 346 H LEU 42 H LEU 42 -0.671 13.307 -1.045 347 HA LEU 42 HA LEU 42 -0.922 12.674 -3.786 348 HB2 LEU 42 2HB LEU 42 0.942 11.826 -1.598 349 HB3 LEU 42 1HB LEU 42 0.971 10.968 -3.123 350 HG LEU 42 HG LEU 42 1.551 13.043 -4.296 351 HD11 LEU 42 1HD1 LEU 42 1.597 14.305 -1.561 352 HD12 LEU 42 2HD1 LEU 42 0.444 14.653 -2.849 353 HD13 LEU 42 3HD1 LEU 42 2.148 15.058 -3.058 354 HD21 LEU 42 3HD2 LEU 42 3.334 12.463 -1.937 355 HD22 LEU 42 1HD2 LEU 42 3.816 13.290 -3.418 356 HD23 LEU 42 2HD2 LEU 42 3.329 11.596 -3.472 357 H ILE 43 H ILE 43 -1.221 10.723 -0.852 358 HA ILE 43 HA ILE 43 -1.846 8.266 -1.978 359 HB ILE 43 HB ILE 43 -2.755 9.489 0.631 360 HG12 ILE 43 2HG1 ILE 43 -0.322 9.146 0.350 361 HG13 ILE 43 1HG1 ILE 43 -1.003 8.144 1.625 362 HG21 ILE 43 1HG2 ILE 43 -3.007 6.618 -0.255 363 HG22 ILE 43 2HG2 ILE 43 -4.331 7.748 0.025 364 HG23 ILE 43 3HG2 ILE 43 -3.323 7.221 1.372 365 HD11 ILE 43 3HD1 ILE 43 0.586 6.864 0.361 366 HD12 ILE 43 1HD1 ILE 43 -0.237 7.259 -1.148 367 HD13 ILE 43 2HD1 ILE 43 -1.032 6.241 0.050 368 H ASN 44 H ASN 44 -4.148 10.713 -0.768 369 HA ASN 44 HA ASN 44 -6.482 9.414 -1.576 370 HB2 ASN 44 2HB ASN 44 -5.883 12.338 -1.151 371 HB3 ASN 44 1HB ASN 44 -7.492 11.763 -1.570 372 HD21 ASN 44 1HD2 ASN 44 -6.510 13.099 0.840 373 HD22 ASN 44 2HD2 ASN 44 -6.922 12.056 2.153 374 H GLY 45 H GLY 45 -4.457 11.723 -3.319 375 HA2 GLY 45 2HA GLY 45 -6.088 12.061 -5.569 376 HA3 GLY 45 1HA GLY 45 -4.341 12.256 -5.543 377 H TYR 46 H TYR 46 -3.427 9.761 -5.038 378 HA TYR 46 HA TYR 46 -3.700 8.540 -7.569 379 HB2 TYR 46 2HB TYR 46 -2.400 7.545 -5.031 380 HB3 TYR 46 1HB TYR 46 -2.319 6.690 -6.567 381 HD1 TYR 46 1HD TYR 46 -1.836 8.751 -8.526 382 HD2 TYR 46 2HD TYR 46 -0.302 8.425 -4.570 383 HE1 TYR 46 1HE TYR 46 0.109 10.099 -9.177 384 HE2 TYR 46 2HE TYR 46 1.649 9.777 -5.213 385 HH TYR 46 HH TYR 46 1.797 11.488 -8.190 386 H ILE 47 H ILE 47 -4.965 7.679 -4.368 387 HA ILE 47 HA ILE 47 -6.138 5.238 -4.950 388 HB ILE 47 HB ILE 47 -6.986 7.432 -3.061 389 HG12 ILE 47 2HG1 ILE 47 -5.792 4.685 -2.636 390 HG13 ILE 47 1HG1 ILE 47 -4.947 6.223 -2.494 391 HG21 ILE 47 1HG2 ILE 47 -8.310 4.737 -3.355 392 HG22 ILE 47 2HG2 ILE 47 -9.040 6.309 -3.674 393 HG23 ILE 47 3HG2 ILE 47 -8.583 5.867 -2.029 394 HD11 ILE 47 3HD1 ILE 47 -5.497 5.309 -0.314 395 HD12 ILE 47 1HD1 ILE 47 -7.207 5.280 -0.743 396 HD13 ILE 47 2HD1 ILE 47 -6.361 6.821 -0.596 397 H GLN 48 H GLN 48 -7.497 8.470 -5.384 398 HA GLN 48 HA GLN 48 -10.014 7.605 -6.303 399 HB2 GLN 48 2HB GLN 48 -8.576 10.220 -6.722 400 HB3 GLN 48 1HB GLN 48 -10.260 9.938 -7.137 401 HG2 GLN 48 2HG GLN 48 -9.049 9.806 -4.383 402 HG3 GLN 48 1HG GLN 48 -10.085 11.083 -5.015 403 HE21 GLN 48 1HE2 GLN 48 -10.441 9.332 -2.699 404 HE22 GLN 48 2HE2 GLN 48 -11.955 8.535 -2.941 405 H LYS 49 H LYS 49 -6.980 8.194 -7.985 406 HA LYS 49 HA LYS 49 -8.223 8.089 -10.577 407 HB2 LYS 49 2HB LYS 49 -5.290 7.933 -9.870 408 HB3 LYS 49 1HB LYS 49 -5.955 8.191 -11.478 409 HG2 LYS 49 2HG LYS 49 -7.055 10.269 -10.533 410 HG3 LYS 49 1HG LYS 49 -6.027 10.047 -9.120 411 HD2 LYS 49 2HD LYS 49 -4.911 11.585 -10.539 412 HD3 LYS 49 1HD LYS 49 -4.060 10.049 -10.698 413 HE2 LYS 49 2HE LYS 49 -4.417 11.178 -12.867 414 HE3 LYS 49 1HE LYS 49 -5.184 9.595 -12.793 415 HZ1 LYS 49 3HZ LYS 49 -7.304 10.591 -12.505 416 HZ2 LYS 49 1HZ LYS 49 -6.567 11.395 -13.795 417 HZ3 LYS 49 2HZ LYS 49 -6.640 12.134 -12.277 418 H ILE 50 H ILE 50 -6.585 5.821 -8.465 419 HA ILE 50 HA ILE 50 -6.283 3.752 -10.387 420 HB ILE 50 HB ILE 50 -6.520 3.501 -7.375 421 HG12 ILE 50 2HG1 ILE 50 -4.048 3.616 -9.115 422 HG13 ILE 50 1HG1 ILE 50 -4.659 4.960 -8.158 423 HG21 ILE 50 1HG2 ILE 50 -5.411 1.560 -9.406 424 HG22 ILE 50 2HG2 ILE 50 -6.939 1.388 -8.545 425 HG23 ILE 50 3HG2 ILE 50 -5.416 1.339 -7.656 426 HD11 ILE 50 3HD1 ILE 50 -4.310 3.645 -6.118 427 HD12 ILE 50 1HD1 ILE 50 -2.817 3.866 -7.031 428 HD13 ILE 50 2HD1 ILE 50 -3.669 2.324 -7.095 429 H LYS 51 H LYS 51 -8.752 4.367 -7.900 430 HA LYS 51 HA LYS 51 -10.369 2.131 -8.446 431 HB2 LYS 51 2HB LYS 51 -11.018 4.814 -7.239 432 HB3 LYS 51 1HB LYS 51 -12.201 3.525 -7.361 433 HG2 LYS 51 2HG LYS 51 -9.573 3.284 -5.911 434 HG3 LYS 51 1HG LYS 51 -11.099 3.713 -5.139 435 HD2 LYS 51 2HD LYS 51 -10.596 1.146 -6.660 436 HD3 LYS 51 1HD LYS 51 -10.528 1.306 -4.906 437 HE2 LYS 51 2HE LYS 51 -12.875 1.979 -4.869 438 HE3 LYS 51 1HE LYS 51 -12.948 1.860 -6.624 439 HZ1 LYS 51 3HZ LYS 51 -13.872 -0.096 -5.635 440 HZ2 LYS 51 1HZ LYS 51 -12.473 -0.387 -4.727 441 HZ3 LYS 51 2HZ LYS 51 -12.440 -0.509 -6.417 442 H SER 52 H SER 52 -10.189 5.259 -9.984 443 HA SER 52 HA SER 52 -12.660 4.972 -11.403 444 HB2 SER 52 2HB SER 52 -10.371 6.895 -11.869 445 HB3 SER 52 1HB SER 52 -11.981 7.019 -12.582 446 HG SER 52 HG SER 52 -11.129 7.487 -9.954 447 H GLY 53 H GLY 53 -9.650 3.550 -11.786 448 HA2 GLY 53 2HA GLY 53 -9.038 2.001 -13.413 449 HA3 GLY 53 1HA GLY 53 -10.415 2.512 -14.376 450 H GLU 54 H GLU 54 -8.315 4.950 -13.195 451 HA GLU 54 HA GLU 54 -7.557 5.610 -15.917 452 HB2 GLU 54 2HB GLU 54 -6.882 7.053 -13.357 453 HB3 GLU 54 1HB GLU 54 -6.727 7.680 -14.988 454 HG2 GLU 54 2HG GLU 54 -9.172 7.533 -15.232 455 HG3 GLU 54 1HG GLU 54 -9.275 7.020 -13.548 456 H GLU 55 H GLU 55 -5.783 5.539 -12.863 457 HA GLU 55 HA GLU 55 -3.352 4.850 -14.330 458 HB2 GLU 55 2HB GLU 55 -3.673 5.760 -11.470 459 HB3 GLU 55 1HB GLU 55 -2.166 5.615 -12.362 460 HG2 GLU 55 2HG GLU 55 -4.391 7.524 -13.038 461 HG3 GLU 55 1HG GLU 55 -2.948 7.940 -12.116 462 H ASP 56 H ASP 56 -2.337 2.939 -14.015 463 HA ASP 56 HA ASP 56 -3.714 0.904 -12.528 464 HB2 ASP 56 2HB ASP 56 -1.171 0.884 -14.147 465 HB3 ASP 56 1HB ASP 56 -1.691 -0.512 -13.210 466 H PHE 57 H PHE 57 -3.010 -0.169 -10.741 467 HA PHE 57 HA PHE 57 -1.832 1.361 -8.739 468 HB2 PHE 57 2HB PHE 57 -3.348 -0.687 -8.534 469 HB3 PHE 57 1HB PHE 57 -1.896 -1.651 -8.767 470 HD1 PHE 57 1HD PHE 57 -0.070 -1.540 -7.088 471 HD2 PHE 57 2HD PHE 57 -3.838 0.329 -6.476 472 HE1 PHE 57 1HE PHE 57 0.392 -1.394 -4.681 473 HE2 PHE 57 2HE PHE 57 -3.381 0.481 -4.071 474 HZ PHE 57 HZ PHE 57 -1.264 -0.380 -3.169 475 H GLU 58 H GLU 58 -0.496 -1.325 -10.637 476 HA GLU 58 HA GLU 58 2.052 -1.422 -9.541 477 HB2 GLU 58 2HB GLU 58 1.366 -1.905 -12.442 478 HB3 GLU 58 1HB GLU 58 2.769 -2.517 -11.586 479 HG2 GLU 58 2HG GLU 58 1.377 -4.347 -11.652 480 HG3 GLU 58 1HG GLU 58 1.038 -3.676 -10.059 481 H SER 59 H SER 59 0.872 0.548 -12.242 482 HA SER 59 HA SER 59 3.326 1.656 -12.987 483 HB2 SER 59 2HB SER 59 0.566 2.869 -13.237 484 HB3 SER 59 1HB SER 59 1.999 3.369 -14.137 485 HG SER 59 HG SER 59 0.735 1.953 -15.370 486 H LEU 60 H LEU 60 0.953 2.710 -10.593 487 HA LEU 60 HA LEU 60 2.406 5.121 -10.029 488 HB2 LEU 60 2HB LEU 60 0.148 3.798 -8.537 489 HB3 LEU 60 1HB LEU 60 0.802 5.381 -8.167 490 HG LEU 60 HG LEU 60 -0.624 4.598 -10.709 491 HD11 LEU 60 1HD1 LEU 60 -1.433 6.379 -8.425 492 HD12 LEU 60 2HD1 LEU 60 -2.113 4.798 -8.813 493 HD13 LEU 60 3HD1 LEU 60 -2.338 6.153 -9.920 494 HD21 LEU 60 3HD2 LEU 60 -0.495 6.997 -11.258 495 HD22 LEU 60 1HD2 LEU 60 1.098 6.243 -11.184 496 HD23 LEU 60 2HD2 LEU 60 0.535 7.249 -9.849 497 H ALA 61 H ALA 61 2.207 1.904 -8.666 498 HA ALA 61 HA ALA 61 3.548 2.473 -6.244 499 HB1 ALA 61 1HB ALA 61 3.816 0.067 -6.027 500 HB2 ALA 61 2HB ALA 61 3.384 -0.150 -7.723 501 HB3 ALA 61 3HB ALA 61 2.188 0.459 -6.579 502 H SER 62 H SER 62 4.750 1.099 -9.301 503 HA SER 62 HA SER 62 7.425 0.930 -8.360 504 HB2 SER 62 2HB SER 62 6.314 0.825 -11.161 505 HB3 SER 62 1HB SER 62 7.976 0.431 -10.720 506 HG SER 62 HG SER 62 6.923 -1.104 -9.182 507 H GLN 63 H GLN 63 5.656 3.631 -9.258 508 HA GLN 63 HA GLN 63 8.100 5.026 -10.113 509 HB2 GLN 63 2HB GLN 63 5.231 5.539 -10.833 510 HB3 GLN 63 1HB GLN 63 6.496 6.722 -11.117 511 HG2 GLN 63 2HG GLN 63 7.670 5.130 -12.551 512 HG3 GLN 63 1HG GLN 63 6.410 3.934 -12.253 513 HE21 GLN 63 1HE2 GLN 63 4.263 5.871 -12.323 514 HE22 GLN 63 2HE2 GLN 63 4.052 6.321 -13.977 515 H PHE 64 H PHE 64 5.164 5.434 -8.123 516 HA PHE 64 HA PHE 64 6.461 7.791 -6.924 517 HB2 PHE 64 2HB PHE 64 3.508 7.208 -7.132 518 HB3 PHE 64 1HB PHE 64 4.234 8.654 -6.439 519 HD1 PHE 64 1HD PHE 64 5.725 10.061 -8.002 520 HD2 PHE 64 2HD PHE 64 2.945 7.148 -9.372 521 HE1 PHE 64 1HE PHE 64 5.702 11.130 -10.216 522 HE2 PHE 64 2HE PHE 64 2.917 8.210 -11.590 523 HZ PHE 64 HZ PHE 64 4.296 10.203 -12.014 524 H SER 65 H SER 65 6.415 4.790 -6.108 525 HA SER 65 HA SER 65 5.479 5.292 -3.374 526 HB2 SER 65 2HB SER 65 4.328 3.408 -4.439 527 HB3 SER 65 1HB SER 65 5.876 2.631 -4.761 528 HG SER 65 HG SER 65 5.589 3.321 -2.143 529 H ASP 66 H ASP 66 6.896 5.395 -1.803 530 HA ASP 66 HA ASP 66 9.688 4.858 -2.394 531 HB2 ASP 66 2HB ASP 66 8.333 6.181 -0.036 532 HB3 ASP 66 1HB ASP 66 10.063 5.875 -0.107 533 H CYS 67 H CYS 67 9.637 2.648 -2.484 534 HA CYS 67 HA CYS 67 9.984 1.296 0.008 535 HB2 CYS 67 2HB CYS 67 7.524 1.251 -0.137 536 HB3 CYS 67 1HB CYS 67 7.629 0.533 -1.738 537 HG CYS 67 HG CYS 67 8.395 -0.915 1.256 538 H SER 68 H SER 68 11.264 -0.506 -0.285 539 HA SER 68 HA SER 68 12.601 -0.818 -2.742 540 HB2 SER 68 2HB SER 68 12.442 -2.801 -0.460 541 HB3 SER 68 1HB SER 68 13.685 -2.737 -1.709 542 HG SER 68 HG SER 68 13.568 -0.330 -0.614 543 H SER 69 H SER 69 9.792 -2.382 -1.379 544 HA SER 69 HA SER 69 9.689 -4.589 -3.154 545 HB2 SER 69 2HB SER 69 8.552 -4.591 -0.981 546 HB3 SER 69 1HB SER 69 7.497 -3.290 -1.523 547 HG SER 69 HG SER 69 7.662 -5.899 -2.640 548 H ALA 70 H ALA 70 9.116 -1.294 -3.688 549 HA ALA 70 HA ALA 70 6.979 -1.409 -5.540 550 HB1 ALA 70 1HB ALA 70 7.709 0.809 -6.249 551 HB2 ALA 70 2HB ALA 70 9.233 0.594 -5.390 552 HB3 ALA 70 3HB ALA 70 7.719 0.684 -4.490 553 H LYS 71 H LYS 71 10.346 -2.154 -5.752 554 HA LYS 71 HA LYS 71 10.584 -2.052 -8.591 555 HB2 LYS 71 2HB LYS 71 12.220 -3.601 -6.572 556 HB3 LYS 71 1HB LYS 71 12.673 -3.294 -8.242 557 HG2 LYS 71 2HG LYS 71 12.754 -0.891 -7.775 558 HG3 LYS 71 1HG LYS 71 12.309 -1.211 -6.097 559 HD2 LYS 71 2HD LYS 71 14.342 -2.537 -5.808 560 HD3 LYS 71 1HD LYS 71 14.784 -2.229 -7.488 561 HE2 LYS 71 2HE LYS 71 14.866 0.177 -7.009 562 HE3 LYS 71 1HE LYS 71 14.459 -0.153 -5.326 563 HZ1 LYS 71 3HZ LYS 71 16.837 0.162 -5.644 564 HZ2 LYS 71 1HZ LYS 71 16.881 -1.131 -6.730 565 HZ3 LYS 71 2HZ LYS 71 16.503 -1.405 -5.107 566 H ALA 72 H ALA 72 9.376 -4.324 -6.304 567 HA ALA 72 HA ALA 72 9.335 -6.554 -8.165 568 HB1 ALA 72 1HB ALA 72 8.288 -7.768 -6.306 569 HB2 ALA 72 2HB ALA 72 8.216 -6.271 -5.374 570 HB3 ALA 72 3HB ALA 72 9.777 -6.970 -5.802 571 H ARG 73 H ARG 73 7.955 -4.132 -8.839 572 HA ARG 73 HA ARG 73 6.086 -3.485 -9.918 573 HB2 ARG 73 2HB ARG 73 6.010 -5.997 -10.542 574 HB3 ARG 73 1HB ARG 73 4.753 -6.120 -9.321 575 HG2 ARG 73 2HG ARG 73 3.592 -5.854 -11.323 576 HG3 ARG 73 1HG ARG 73 3.575 -4.245 -10.601 577 HD2 ARG 73 2HD ARG 73 5.394 -5.230 -12.797 578 HD3 ARG 73 1HD ARG 73 4.074 -4.082 -12.967 579 HE ARG 73 HE ARG 73 5.419 -2.573 -11.520 580 HH11 ARG 73 1HH1 ARG 73 7.024 -5.129 -13.339 581 HH12 ARG 73 2HH1 ARG 73 8.548 -4.311 -13.369 582 HH21 ARG 73 1HH2 ARG 73 7.445 -1.519 -11.555 583 HH22 ARG 73 2HH2 ARG 73 8.793 -2.257 -12.354 584 H GLY 74 H GLY 74 6.373 -3.974 -6.770 585 HA2 GLY 74 2HA GLY 74 5.306 -2.911 -5.018 586 HA3 GLY 74 1HA GLY 74 4.085 -2.348 -6.150 587 H ASP 75 H ASP 75 4.820 -5.730 -6.021 588 HA ASP 75 HA ASP 75 2.292 -6.158 -4.577 589 HB2 ASP 75 2HB ASP 75 2.172 -6.688 -7.011 590 HB3 ASP 75 1HB ASP 75 3.417 -7.907 -6.763 591 H LEU 76 H LEU 76 2.265 -7.596 -2.936 592 HA LEU 76 HA LEU 76 4.872 -8.577 -2.059 593 HB2 LEU 76 2HB LEU 76 2.214 -8.379 -0.658 594 HB3 LEU 76 1HB LEU 76 3.642 -9.084 0.069 595 HG LEU 76 HG LEU 76 3.432 -6.221 -0.860 596 HD11 LEU 76 1HD1 LEU 76 3.284 -7.380 1.918 597 HD12 LEU 76 2HD1 LEU 76 1.952 -6.646 1.025 598 HD13 LEU 76 3HD1 LEU 76 3.332 -5.664 1.515 599 HD21 LEU 76 3HD2 LEU 76 5.508 -5.926 0.400 600 HD22 LEU 76 1HD2 LEU 76 5.712 -7.093 -0.905 601 HD23 LEU 76 2HD2 LEU 76 5.539 -7.651 0.759 602 H GLY 77 H GLY 77 2.174 -9.781 -3.677 603 HA2 GLY 77 2HA GLY 77 1.826 -11.950 -4.421 604 HA3 GLY 77 1HA GLY 77 3.133 -12.490 -3.374 605 H ALA 78 H ALA 78 1.518 -14.257 -2.991 606 HA ALA 78 HA ALA 78 -0.716 -13.553 -1.299 607 HB1 ALA 78 1HB ALA 78 -1.203 -15.938 -1.279 608 HB2 ALA 78 2HB ALA 78 0.331 -16.271 -2.080 609 HB3 ALA 78 3HB ALA 78 -0.928 -15.373 -2.926 610 H PHE 79 H PHE 79 -0.784 -13.604 0.849 611 HA PHE 79 HA PHE 79 1.274 -15.050 2.332 612 HB2 PHE 79 2HB PHE 79 1.587 -13.114 3.877 613 HB3 PHE 79 1HB PHE 79 2.173 -12.805 2.250 614 HD1 PHE 79 1HD PHE 79 0.989 -11.240 0.784 615 HD2 PHE 79 2HD PHE 79 -0.257 -11.885 4.803 616 HE1 PHE 79 1HE PHE 79 -0.346 -9.180 0.696 617 HE2 PHE 79 2HE PHE 79 -1.599 -9.824 4.719 618 HZ PHE 79 HZ PHE 79 -1.645 -8.470 2.664 619 H SER 80 H SER 80 0.702 -15.095 4.738 620 HA SER 80 HA SER 80 -2.210 -15.447 4.968 621 HB2 SER 80 2HB SER 80 -0.030 -16.879 6.496 622 HB3 SER 80 1HB SER 80 -1.759 -17.212 6.577 623 HG SER 80 HG SER 80 -0.270 -17.355 4.179 624 H ARG 81 H ARG 81 -2.923 -15.412 7.327 625 HA ARG 81 HA ARG 81 -2.285 -12.860 8.444 626 HB2 ARG 81 2HB ARG 81 -4.022 -15.114 9.461 627 HB3 ARG 81 1HB ARG 81 -3.937 -13.514 10.179 628 HG2 ARG 81 2HG ARG 81 -4.916 -12.507 8.268 629 HG3 ARG 81 1HG ARG 81 -4.750 -13.988 7.326 630 HD2 ARG 81 2HD ARG 81 -6.514 -13.614 9.744 631 HD3 ARG 81 1HD ARG 81 -7.053 -13.644 8.066 632 HE ARG 81 HE ARG 81 -5.700 -15.961 9.271 633 HH11 ARG 81 1HH1 ARG 81 -8.489 -14.581 7.635 634 HH12 ARG 81 2HH1 ARG 81 -9.223 -16.119 7.342 635 HH21 ARG 81 1HH2 ARG 81 -6.689 -17.988 8.879 636 HH22 ARG 81 2HH2 ARG 81 -8.208 -18.050 8.049 637 H GLY 82 H GLY 82 -0.827 -12.417 9.944 638 HA2 GLY 82 2HA GLY 82 0.215 -12.935 12.065 639 HA3 GLY 82 1HA GLY 82 0.213 -14.630 11.595 640 H GLN 83 H GLN 83 0.978 -12.343 9.173 641 HA GLN 83 HA GLN 83 3.855 -12.844 9.535 642 HB2 GLN 83 2HB GLN 83 2.365 -13.081 6.915 643 HB3 GLN 83 1HB GLN 83 4.104 -13.223 7.118 644 HG2 GLN 83 2HG GLN 83 3.744 -15.205 8.540 645 HG3 GLN 83 1HG GLN 83 2.012 -15.075 8.241 646 HE21 GLN 83 1HE2 GLN 83 5.097 -15.882 6.901 647 HE22 GLN 83 2HE2 GLN 83 4.504 -16.652 5.469 648 H MET 84 H MET 84 1.314 -10.695 8.659 649 HA MET 84 HA MET 84 3.289 -8.711 7.746 650 HB2 MET 84 2HB MET 84 1.428 -9.509 6.164 651 HB3 MET 84 1HB MET 84 0.328 -8.618 7.197 652 HG2 MET 84 2HG MET 84 0.928 -7.309 5.269 653 HG3 MET 84 1HG MET 84 1.564 -6.559 6.733 654 HE1 MET 84 3HE MET 84 3.020 -9.726 4.842 655 HE2 MET 84 1HE MET 84 4.119 -8.943 3.708 656 HE3 MET 84 2HE MET 84 2.378 -8.700 3.560 657 H GLN 85 H GLN 85 2.591 -6.391 8.284 658 HA GLN 85 HA GLN 85 2.235 -6.174 11.089 659 HB2 GLN 85 2HB GLN 85 2.052 -4.032 8.955 660 HB3 GLN 85 1HB GLN 85 2.189 -3.738 10.684 661 HG2 GLN 85 2HG GLN 85 4.379 -4.850 10.683 662 HG3 GLN 85 1HG GLN 85 4.242 -5.088 8.943 663 HE21 GLN 85 1HE2 GLN 85 6.061 -3.895 8.507 664 HE22 GLN 85 2HE2 GLN 85 6.115 -2.176 8.663 665 H LYS 86 H LYS 86 0.440 -5.821 12.271 666 HA LYS 86 HA LYS 86 -1.971 -6.783 11.408 667 HB2 LYS 86 2HB LYS 86 -1.596 -4.816 13.660 668 HB3 LYS 86 1HB LYS 86 -2.994 -5.853 13.425 669 HG2 LYS 86 2HG LYS 86 -0.180 -6.696 14.081 670 HG3 LYS 86 1HG LYS 86 -1.609 -6.829 15.103 671 HD2 LYS 86 2HD LYS 86 -1.144 -8.306 12.506 672 HD3 LYS 86 1HD LYS 86 -0.995 -8.992 14.121 673 HE2 LYS 86 2HE LYS 86 -3.385 -8.520 14.512 674 HE3 LYS 86 1HE LYS 86 -3.514 -7.897 12.869 675 HZ1 LYS 86 3HZ LYS 86 -2.840 -10.674 13.655 676 HZ2 LYS 86 1HZ LYS 86 -2.818 -10.108 12.061 677 HZ3 LYS 86 2HZ LYS 86 -4.269 -10.156 12.929 678 HA PRO 87 HA PRO 87 -3.765 -2.204 10.810 679 HB2 PRO 87 2HB PRO 87 -1.760 -0.585 9.709 680 HB3 PRO 87 1HB PRO 87 -2.393 -0.462 11.352 681 HG2 PRO 87 2HG PRO 87 0.068 -1.835 10.365 682 HG3 PRO 87 1HG PRO 87 -0.182 -0.915 11.860 683 HD2 PRO 87 2HD PRO 87 -0.106 -3.575 11.896 684 HD3 PRO 87 1HD PRO 87 -1.266 -2.689 12.910 685 H PHE 88 H PHE 88 -1.148 -3.562 8.907 686 HA PHE 88 HA PHE 88 -2.385 -2.836 6.386 687 HB2 PHE 88 2HB PHE 88 0.084 -2.756 6.688 688 HB3 PHE 88 1HB PHE 88 0.086 -4.492 6.954 689 HD1 PHE 88 2HD PHE 88 -0.560 -6.010 5.067 690 HD2 PHE 88 1HD PHE 88 0.094 -1.844 4.520 691 HE1 PHE 88 2HE PHE 88 -0.289 -6.378 2.653 692 HE2 PHE 88 1HE PHE 88 0.367 -2.206 2.101 693 HZ PHE 88 HZ PHE 88 0.174 -4.479 1.169 694 H GLU 89 H GLU 89 -1.491 -5.746 8.146 695 HA GLU 89 HA GLU 89 -2.328 -7.713 6.406 696 HB2 GLU 89 2HB GLU 89 -0.979 -7.989 8.485 697 HB3 GLU 89 1HB GLU 89 -2.454 -7.806 9.413 698 HG2 GLU 89 2HG GLU 89 -3.367 -9.811 8.416 699 HG3 GLU 89 1HG GLU 89 -1.925 -9.983 7.412 700 H ASP 90 H ASP 90 -4.195 -6.318 9.116 701 HA ASP 90 HA ASP 90 -6.488 -7.881 8.706 702 HB2 ASP 90 2HB ASP 90 -6.153 -6.693 10.796 703 HB3 ASP 90 1HB ASP 90 -6.256 -5.144 9.962 704 H ALA 91 H ALA 91 -5.641 -4.691 7.491 705 HA ALA 91 HA ALA 91 -8.085 -4.166 6.202 706 HB1 ALA 91 1HB ALA 91 -6.853 -2.436 4.989 707 HB2 ALA 91 2HB ALA 91 -5.330 -3.125 5.555 708 HB3 ALA 91 3HB ALA 91 -6.460 -2.419 6.708 709 H SER 92 H SER 92 -5.232 -5.937 5.247 710 HA SER 92 HA SER 92 -5.787 -6.107 2.480 711 HB2 SER 92 2HB SER 92 -4.205 -8.023 4.209 712 HB3 SER 92 1HB SER 92 -4.120 -7.889 2.452 713 HG SER 92 HG SER 92 -3.483 -5.802 4.278 714 H PHE 93 H PHE 93 -6.377 -8.376 5.162 715 HA PHE 93 HA PHE 93 -7.739 -10.249 3.489 716 HB2 PHE 93 2HB PHE 93 -7.449 -10.036 6.481 717 HB3 PHE 93 1HB PHE 93 -8.371 -11.319 5.703 718 HD1 PHE 93 2HD PHE 93 -5.014 -9.887 6.156 719 HD2 PHE 93 1HD PHE 93 -7.287 -13.116 4.580 720 HE1 PHE 93 2HE PHE 93 -2.947 -11.175 5.824 721 HE2 PHE 93 1HE PHE 93 -5.224 -14.410 4.245 722 HZ PHE 93 HZ PHE 93 -3.050 -13.439 4.867 723 H ALA 94 H ALA 94 -8.693 -7.356 4.925 724 HA ALA 94 HA ALA 94 -11.485 -8.036 5.188 725 HB1 ALA 94 1HB ALA 94 -11.806 -5.670 5.691 726 HB2 ALA 94 2HB ALA 94 -10.140 -5.333 5.220 727 HB3 ALA 94 3HB ALA 94 -10.471 -6.331 6.635 728 H LEU 95 H LEU 95 -9.379 -7.111 2.689 729 HA LEU 95 HA LEU 95 -11.432 -5.940 0.998 730 HB2 LEU 95 2HB LEU 95 -8.566 -6.670 0.411 731 HB3 LEU 95 1HB LEU 95 -9.632 -5.816 -0.682 732 HG LEU 95 HG LEU 95 -8.687 -4.783 1.987 733 HD11 LEU 95 1HD1 LEU 95 -7.861 -4.070 -0.822 734 HD12 LEU 95 2HD1 LEU 95 -6.882 -4.929 0.366 735 HD13 LEU 95 3HD1 LEU 95 -7.332 -3.248 0.645 736 HD21 LEU 95 3HD2 LEU 95 -9.654 -2.662 1.228 737 HD22 LEU 95 1HD2 LEU 95 -10.883 -3.919 1.368 738 HD23 LEU 95 2HD2 LEU 95 -10.262 -3.462 -0.218 739 H ARG 96 H ARG 96 -11.336 -6.828 -1.364 740 HA ARG 96 HA ARG 96 -11.257 -9.754 -1.375 741 HB2 ARG 96 2HB ARG 96 -13.510 -8.009 -2.366 742 HB3 ARG 96 1HB ARG 96 -13.319 -9.689 -2.843 743 HG2 ARG 96 2HG ARG 96 -13.488 -10.350 -0.475 744 HG3 ARG 96 1HG ARG 96 -13.764 -8.659 -0.051 745 HD2 ARG 96 2HD ARG 96 -15.855 -9.924 -0.207 746 HD3 ARG 96 1HD ARG 96 -15.782 -8.627 -1.397 747 HE ARG 96 HE ARG 96 -14.989 -10.543 -2.939 748 HH11 ARG 96 1HH1 ARG 96 -17.360 -10.875 -0.373 749 HH12 ARG 96 2HH1 ARG 96 -18.236 -12.132 -1.167 750 HH21 ARG 96 1HH2 ARG 96 -16.151 -12.199 -4.001 751 HH22 ARG 96 2HH2 ARG 96 -17.552 -12.884 -3.256 752 H THR 97 H THR 97 -11.407 -10.555 -3.717 753 HA THR 97 HA THR 97 -9.257 -9.555 -5.175 754 HB THR 97 HB THR 97 -11.576 -11.176 -6.257 755 HG1 THR 97 1HG THR 97 -9.192 -11.950 -4.861 756 HG21 THR 97 3HG2 THR 97 -9.935 -12.014 -7.872 757 HG22 THR 97 1HG2 THR 97 -8.700 -10.970 -7.167 758 HG23 THR 97 2HG2 THR 97 -10.090 -10.262 -7.988 759 H GLY 98 H GLY 98 -9.149 -7.589 -6.067 760 HA2 GLY 98 2HA GLY 98 -9.681 -6.147 -7.875 761 HA3 GLY 98 1HA GLY 98 -11.328 -6.756 -7.842 762 H GLU 99 H GLU 99 -9.972 -5.978 -4.786 763 HA GLU 99 HA GLU 99 -11.327 -3.371 -4.852 764 HB2 GLU 99 2HB GLU 99 -12.715 -4.990 -3.640 765 HB3 GLU 99 1HB GLU 99 -11.366 -5.360 -2.575 766 HG2 GLU 99 2HG GLU 99 -12.951 -3.876 -1.488 767 HG3 GLU 99 1HG GLU 99 -11.401 -3.078 -1.724 768 H MET 100 H MET 100 -10.498 -1.753 -3.529 769 HA MET 100 HA MET 100 -7.759 -2.206 -2.546 770 HB2 MET 100 2HB MET 100 -7.904 -0.967 -4.747 771 HB3 MET 100 1HB MET 100 -8.761 0.304 -3.893 772 HG2 MET 100 2HG MET 100 -6.831 0.709 -2.495 773 HG3 MET 100 1HG MET 100 -5.969 -0.622 -3.265 774 HE1 MET 100 3HE MET 100 -7.095 3.346 -5.313 775 HE2 MET 100 1HE MET 100 -7.320 3.003 -3.599 776 HE3 MET 100 2HE MET 100 -8.295 2.160 -4.801 777 H SER 101 H SER 101 -7.218 -1.122 -0.655 778 HA SER 101 HA SER 101 -9.470 -0.309 0.974 779 HB2 SER 101 2HB SER 101 -7.822 -0.273 2.804 780 HB3 SER 101 1HB SER 101 -7.751 -1.793 1.916 781 HG SER 101 HG SER 101 -5.913 0.301 2.045 782 H GLY 102 H GLY 102 -8.672 1.549 2.624 783 HA2 GLY 102 2HA GLY 102 -8.218 3.882 0.938 784 HA3 GLY 102 1HA GLY 102 -8.817 3.891 2.595 785 HA PRO 103 HA PRO 103 -4.350 5.038 2.766 786 HB2 PRO 103 2HB PRO 103 -5.250 6.968 4.777 787 HB3 PRO 103 1HB PRO 103 -4.366 7.257 3.278 788 HG2 PRO 103 2HG PRO 103 -6.938 8.013 3.605 789 HG3 PRO 103 1HG PRO 103 -6.289 7.504 2.035 790 HD2 PRO 103 2HD PRO 103 -7.941 5.953 3.996 791 HD3 PRO 103 1HD PRO 103 -8.066 6.024 2.224 792 H VAL 104 H VAL 104 -3.599 3.265 3.854 793 HA VAL 104 HA VAL 104 -4.364 2.833 6.626 794 HB VAL 104 HB VAL 104 -2.409 1.310 4.878 795 HG11 VAL 104 1HG1 VAL 104 -3.540 0.624 7.590 796 HG12 VAL 104 2HG1 VAL 104 -1.870 1.064 7.236 797 HG13 VAL 104 3HG1 VAL 104 -2.539 -0.438 6.599 798 HG21 VAL 104 3HG2 VAL 104 -4.168 -0.396 4.752 799 HG22 VAL 104 1HG2 VAL 104 -4.700 1.137 4.063 800 HG23 VAL 104 2HG2 VAL 104 -5.248 0.655 5.668 801 H PHE 105 H PHE 105 -3.450 4.177 8.016 802 HA PHE 105 HA PHE 105 -0.857 5.329 7.518 803 HB2 PHE 105 2HB PHE 105 -2.703 5.637 9.887 804 HB3 PHE 105 1HB PHE 105 -1.275 6.609 9.557 805 HD1 PHE 105 1HD PHE 105 -1.255 8.059 7.503 806 HD2 PHE 105 2HD PHE 105 -4.772 6.164 8.942 807 HE1 PHE 105 1HE PHE 105 -2.629 9.628 6.200 808 HE2 PHE 105 2HE PHE 105 -6.154 7.728 7.644 809 HZ PHE 105 HZ PHE 105 -5.082 9.464 6.270 810 H THR 106 H THR 106 1.011 4.875 8.510 811 HA THR 106 HA THR 106 1.080 3.064 10.805 812 HB THR 106 HB THR 106 2.948 1.770 9.730 813 HG1 THR 106 1HG THR 106 2.268 3.492 7.639 814 HG21 THR 106 3HG2 THR 106 1.527 0.351 8.311 815 HG22 THR 106 1HG2 THR 106 0.297 1.615 8.278 816 HG23 THR 106 2HG2 THR 106 0.691 0.807 9.796 817 H ASP 107 H ASP 107 3.795 2.756 11.018 818 HA ASP 107 HA ASP 107 4.674 5.473 11.552 819 HB2 ASP 107 2HB ASP 107 5.797 2.769 12.262 820 HB3 ASP 107 1HB ASP 107 6.703 4.253 12.535 821 H SER 108 H SER 108 4.783 3.497 8.947 822 HA SER 108 HA SER 108 7.369 4.555 8.049 823 HB2 SER 108 2HB SER 108 7.158 2.707 6.298 824 HB3 SER 108 1HB SER 108 7.459 2.192 7.958 825 HG SER 108 HG SER 108 5.767 1.002 7.650 826 H GLY 109 H GLY 109 4.452 5.610 8.021 827 HA2 GLY 109 2HA GLY 109 3.898 7.398 6.492 828 HA3 GLY 109 1HA GLY 109 4.531 6.401 5.189 829 H ILE 110 H ILE 110 2.580 6.655 4.056 830 HA ILE 110 HA ILE 110 0.246 5.330 5.254 831 HB ILE 110 HB ILE 110 0.285 7.084 2.795 832 HG12 ILE 110 2HG1 ILE 110 -0.433 7.870 5.629 833 HG13 ILE 110 1HG1 ILE 110 1.065 8.312 4.822 834 HG21 ILE 110 1HG2 ILE 110 -1.631 5.594 2.956 835 HG22 ILE 110 2HG2 ILE 110 -2.134 7.259 3.249 836 HG23 ILE 110 3HG2 ILE 110 -1.947 6.145 4.602 837 HD11 ILE 110 3HD1 ILE 110 -0.544 10.134 4.814 838 HD12 ILE 110 1HD1 ILE 110 -1.702 9.116 3.958 839 HD13 ILE 110 2HD1 ILE 110 -0.191 9.586 3.176 840 H HIS 111 H HIS 111 -0.576 3.523 4.356 841 HA HIS 111 HA HIS 111 0.776 2.486 1.945 842 HB2 HIS 111 2HB HIS 111 -0.411 0.930 4.258 843 HB3 HIS 111 1HB HIS 111 0.301 0.220 2.819 844 HD1 HIS 111 1HD HIS 111 2.615 -0.565 3.199 845 HD2 HIS 111 2HD HIS 111 1.666 2.649 5.645 846 HE1 HIS 111 1HE HIS 111 4.633 -0.202 4.643 847 HE2 HIS 111 2HE HIS 111 4.003 1.680 6.189 848 H ILE 112 H ILE 112 -0.441 1.831 0.284 849 HA ILE 112 HA ILE 112 -3.370 1.768 0.619 850 HB ILE 112 HB ILE 112 -1.835 2.016 -1.986 851 HG12 ILE 112 2HG1 ILE 112 -3.152 4.231 -0.392 852 HG13 ILE 112 1HG1 ILE 112 -1.414 3.978 -0.518 853 HG21 ILE 112 1HG2 ILE 112 -4.732 2.530 -1.314 854 HG22 ILE 112 2HG2 ILE 112 -4.105 1.120 -2.165 855 HG23 ILE 112 3HG2 ILE 112 -3.987 2.719 -2.901 856 HD11 ILE 112 3HD1 ILE 112 -2.160 5.754 -1.998 857 HD12 ILE 112 1HD1 ILE 112 -3.274 4.640 -2.792 858 HD13 ILE 112 2HD1 ILE 112 -1.534 4.390 -2.921 859 H ILE 113 H ILE 113 -4.392 -0.174 0.233 860 HA ILE 113 HA ILE 113 -2.655 -2.397 -0.634 861 HB ILE 113 HB ILE 113 -5.064 -2.619 1.172 862 HG12 ILE 113 2HG1 ILE 113 -2.150 -2.603 1.981 863 HG13 ILE 113 1HG1 ILE 113 -3.239 -1.234 2.178 864 HG21 ILE 113 1HG2 ILE 113 -2.812 -4.531 0.552 865 HG22 ILE 113 2HG2 ILE 113 -4.474 -4.661 -0.023 866 HG23 ILE 113 3HG2 ILE 113 -4.120 -4.824 1.698 867 HD11 ILE 113 3HD1 ILE 113 -2.976 -2.458 4.249 868 HD12 ILE 113 1HD1 ILE 113 -3.540 -3.933 3.466 869 HD13 ILE 113 2HD1 ILE 113 -4.636 -2.566 3.663 870 H LEU 114 H LEU 114 -3.293 -3.569 -2.325 871 HA LEU 114 HA LEU 114 -6.105 -3.417 -3.194 872 HB2 LEU 114 2HB LEU 114 -4.879 -2.016 -4.706 873 HB3 LEU 114 1HB LEU 114 -3.620 -3.219 -4.891 874 HG LEU 114 HG LEU 114 -5.323 -4.706 -6.005 875 HD11 LEU 114 1HD1 LEU 114 -6.961 -2.185 -6.051 876 HD12 LEU 114 2HD1 LEU 114 -7.331 -3.639 -5.124 877 HD13 LEU 114 3HD1 LEU 114 -7.339 -3.690 -6.887 878 HD21 LEU 114 3HD2 LEU 114 -4.749 -2.049 -7.305 879 HD22 LEU 114 1HD2 LEU 114 -5.223 -3.527 -8.143 880 HD23 LEU 114 2HD2 LEU 114 -3.682 -3.454 -7.288 881 H ARG 115 H ARG 115 -6.981 -5.397 -3.143 882 HA ARG 115 HA ARG 115 -5.248 -7.724 -3.193 883 HB2 ARG 115 2HB ARG 115 -8.122 -7.274 -2.578 884 HB3 ARG 115 1HB ARG 115 -7.661 -8.859 -3.174 885 HG2 ARG 115 2HG ARG 115 -5.919 -8.874 -1.326 886 HG3 ARG 115 1HG ARG 115 -6.780 -7.482 -0.663 887 HD2 ARG 115 2HD ARG 115 -7.546 -9.568 0.362 888 HD3 ARG 115 1HD ARG 115 -8.838 -8.793 -0.556 889 HE ARG 115 HE ARG 115 -7.474 -10.676 -2.180 890 HH11 ARG 115 1HH1 ARG 115 -9.828 -10.518 0.432 891 HH12 ARG 115 2HH1 ARG 115 -10.534 -12.049 0.046 892 HH21 ARG 115 1HH2 ARG 115 -8.412 -12.664 -2.692 893 HH22 ARG 115 2HH2 ARG 115 -9.721 -13.291 -1.733 894 H THR 116 H THR 116 -4.479 -8.185 -5.144 895 HA THR 116 HA THR 116 -6.112 -7.949 -7.495 896 HB THR 116 HB THR 116 -4.074 -9.106 -8.556 897 HG1 THR 116 1HG THR 116 -2.180 -8.753 -7.077 898 HG21 THR 116 3HG2 THR 116 -2.771 -7.033 -8.509 899 HG22 THR 116 1HG2 THR 116 -3.681 -6.483 -7.103 900 HG23 THR 116 2HG2 THR 116 -4.491 -6.679 -8.656 901 H GLU 117 H GLU 117 -5.014 -10.437 -5.320 902 HA GLU 117 HA GLU 117 -6.958 -12.267 -6.503 903 HB2 GLU 117 2HB GLU 117 -4.149 -13.011 -5.652 904 HB3 GLU 117 1HB GLU 117 -5.413 -14.164 -6.025 905 HG2 GLU 117 2HG GLU 117 -5.512 -13.291 -8.314 906 HG3 GLU 117 1HG GLU 117 -4.197 -12.181 -7.928 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -18.107 -23.464 -2.690 2 H2 GLY 1 2HT GLY 1 -17.687 -23.638 -1.067 3 H3 GLY 1 3HT GLY 1 -17.988 -25.006 -2.009 4 HA2 GLY 1 1HA GLY 1 -15.625 -24.721 -1.678 5 HA3 GLY 1 2HA GLY 1 -16.071 -24.553 -3.371 6 H SER 2 H SER 2 -16.106 -22.367 -0.554 7 HA SER 2 HA SER 2 -14.639 -20.433 -2.201 8 HB2 SER 2 2HB SER 2 -16.505 -19.904 0.125 9 HB3 SER 2 1HB SER 2 -15.671 -18.677 -0.828 10 HG SER 2 HG SER 2 -16.819 -19.840 -2.676 11 H HIS 3 H HIS 3 -12.967 -19.231 -1.184 12 HA HIS 3 HA HIS 3 -11.666 -20.752 0.931 13 HB2 HIS 3 2HB HIS 3 -10.666 -18.436 -0.733 14 HB3 HIS 3 1HB HIS 3 -9.710 -19.290 0.467 15 HD1 HIS 3 1HD HIS 3 -10.467 -19.260 -3.045 16 HD2 HIS 3 2HD HIS 3 -9.407 -22.164 -0.270 17 HE1 HIS 3 1HE HIS 3 -9.621 -21.207 -4.395 18 HE2 HIS 3 2HE HIS 3 -8.820 -22.872 -2.688 19 H MET 4 H MET 4 -12.880 -20.200 2.755 20 HA MET 4 HA MET 4 -12.819 -17.368 3.497 21 HB2 MET 4 2HB MET 4 -14.957 -18.836 3.616 22 HB3 MET 4 1HB MET 4 -14.228 -19.504 5.073 23 HG2 MET 4 2HG MET 4 -15.795 -17.698 5.565 24 HG3 MET 4 1HG MET 4 -14.152 -17.312 6.082 25 HE1 MET 4 3HE MET 4 -16.227 -15.002 5.944 26 HE2 MET 4 1HE MET 4 -15.320 -13.765 5.075 27 HE3 MET 4 2HE MET 4 -14.515 -14.759 6.290 28 H GLU 5 H GLU 5 -11.887 -16.682 5.444 29 HA GLU 5 HA GLU 5 -10.105 -16.535 6.828 30 HB2 GLU 5 2HB GLU 5 -11.102 -19.297 7.491 31 HB3 GLU 5 1HB GLU 5 -9.686 -18.636 8.289 32 HG2 GLU 5 2HG GLU 5 -11.523 -18.261 9.719 33 HG3 GLU 5 1HG GLU 5 -11.115 -16.704 9.006 34 HA PRO 6 HA PRO 6 -7.217 -18.790 4.050 35 HB2 PRO 6 2HB PRO 6 -6.510 -16.474 2.609 36 HB3 PRO 6 1HB PRO 6 -7.595 -17.753 2.066 37 HG2 PRO 6 2HG PRO 6 -8.318 -15.091 2.637 38 HG3 PRO 6 1HG PRO 6 -9.426 -16.451 2.397 39 HD2 PRO 6 2HD PRO 6 -8.444 -15.228 4.933 40 HD3 PRO 6 1HD PRO 6 -10.020 -15.964 4.567 41 H ALA 7 H ALA 7 -4.949 -18.691 4.044 42 HA ALA 7 HA ALA 7 -3.797 -16.713 5.887 43 HB1 ALA 7 1HB ALA 7 -2.883 -19.540 5.382 44 HB2 ALA 7 2HB ALA 7 -3.763 -18.977 6.803 45 HB3 ALA 7 3HB ALA 7 -2.130 -18.392 6.486 46 H ARG 8 H ARG 8 -3.720 -18.075 2.749 47 HA ARG 8 HA ARG 8 -1.412 -16.399 2.093 48 HB2 ARG 8 2HB ARG 8 -1.801 -19.279 1.290 49 HB3 ARG 8 1HB ARG 8 -0.695 -18.197 0.456 50 HG2 ARG 8 2HG ARG 8 0.544 -17.863 2.536 51 HG3 ARG 8 1HG ARG 8 -0.564 -18.957 3.366 52 HD2 ARG 8 2HD ARG 8 0.129 -20.785 1.948 53 HD3 ARG 8 1HD ARG 8 1.153 -19.705 1.004 54 HE ARG 8 HE ARG 8 2.072 -19.414 3.540 55 HH11 ARG 8 1HH1 ARG 8 1.579 -22.179 1.441 56 HH12 ARG 8 2HH1 ARG 8 2.867 -23.102 2.127 57 HH21 ARG 8 1HH2 ARG 8 3.777 -20.635 4.472 58 HH22 ARG 8 2HH2 ARG 8 4.124 -22.223 3.875 59 H VAL 9 H VAL 9 -2.064 -14.937 0.729 60 HA VAL 9 HA VAL 9 -3.701 -15.711 -1.579 61 HB VAL 9 HB VAL 9 -4.970 -13.565 -1.415 62 HG11 VAL 9 1HG1 VAL 9 -5.311 -15.427 0.931 63 HG12 VAL 9 2HG1 VAL 9 -6.022 -15.620 -0.671 64 HG13 VAL 9 3HG1 VAL 9 -6.517 -14.276 0.358 65 HG21 VAL 9 3HG2 VAL 9 -5.031 -12.363 0.728 66 HG22 VAL 9 1HG2 VAL 9 -3.426 -12.315 -0.004 67 HG23 VAL 9 2HG2 VAL 9 -3.750 -13.407 1.343 68 H ARG 10 H ARG 10 -3.631 -13.904 -3.263 69 HA ARG 10 HA ARG 10 -0.953 -12.696 -3.203 70 HB2 ARG 10 2HB ARG 10 -1.295 -14.356 -5.011 71 HB3 ARG 10 1HB ARG 10 -2.622 -13.382 -5.630 72 HG2 ARG 10 2HG ARG 10 -1.121 -11.565 -6.126 73 HG3 ARG 10 1HG ARG 10 0.224 -12.432 -5.387 74 HD2 ARG 10 2HD ARG 10 -0.137 -14.235 -7.094 75 HD3 ARG 10 1HD ARG 10 -1.283 -13.156 -7.890 76 HE ARG 10 HE ARG 10 1.154 -11.795 -7.495 77 HH11 ARG 10 1HH1 ARG 10 -0.234 -14.343 -9.474 78 HH12 ARG 10 2HH1 ARG 10 0.904 -14.139 -10.758 79 HH21 ARG 10 1HH2 ARG 10 2.670 -11.531 -9.182 80 HH22 ARG 10 2HH2 ARG 10 2.556 -12.523 -10.604 81 H CYS 11 H CYS 11 -0.870 -10.583 -3.005 82 HA CYS 11 HA CYS 11 -2.999 -8.943 -4.141 83 HB2 CYS 11 2HB CYS 11 -2.056 -8.660 -1.280 84 HB3 CYS 11 1HB CYS 11 -3.244 -7.649 -2.093 85 HG CYS 11 HG CYS 11 -4.311 -10.680 -2.406 86 H SER 12 H SER 12 -2.393 -6.742 -4.417 87 HA SER 12 HA SER 12 0.511 -6.341 -4.550 88 HB2 SER 12 2HB SER 12 -0.806 -6.149 -6.678 89 HB3 SER 12 1HB SER 12 -1.701 -4.812 -5.960 90 HG SER 12 HG SER 12 0.183 -4.304 -7.347 91 H HIS 13 H HIS 13 1.275 -4.129 -3.940 92 HA HIS 13 HA HIS 13 -0.535 -2.717 -2.163 93 HB2 HIS 13 2HB HIS 13 0.811 -2.858 -0.186 94 HB3 HIS 13 1HB HIS 13 0.498 -4.486 -0.758 95 HD1 HIS 13 1HD HIS 13 2.883 -3.594 1.146 96 HD2 HIS 13 2HD HIS 13 3.175 -4.381 -2.922 97 HE1 HIS 13 1HE HIS 13 5.293 -4.133 0.735 98 HE2 HIS 13 2HE HIS 13 5.455 -4.651 -1.707 99 H LEU 14 H LEU 14 -0.195 -0.627 -1.987 100 HA LEU 14 HA LEU 14 2.226 0.489 -3.239 101 HB2 LEU 14 2HB LEU 14 -0.095 0.977 -4.234 102 HB3 LEU 14 1HB LEU 14 -0.403 1.912 -2.789 103 HG LEU 14 HG LEU 14 1.911 2.542 -4.615 104 HD11 LEU 14 1HD1 LEU 14 -0.118 2.591 -5.959 105 HD12 LEU 14 2HD1 LEU 14 0.481 4.224 -5.671 106 HD13 LEU 14 3HD1 LEU 14 -0.902 3.619 -4.760 107 HD21 LEU 14 3HD2 LEU 14 1.706 4.763 -3.624 108 HD22 LEU 14 1HD2 LEU 14 1.963 3.538 -2.381 109 HD23 LEU 14 2HD2 LEU 14 0.351 4.208 -2.640 110 H LEU 15 H LEU 15 3.556 1.640 -1.963 111 HA LEU 15 HA LEU 15 2.579 2.387 0.716 112 HB2 LEU 15 2HB LEU 15 4.005 0.619 1.177 113 HB3 LEU 15 1HB LEU 15 5.100 1.045 -0.118 114 HG LEU 15 HG LEU 15 5.911 2.972 1.219 115 HD11 LEU 15 1HD1 LEU 15 4.173 1.843 3.399 116 HD12 LEU 15 2HD1 LEU 15 3.928 3.376 2.562 117 HD13 LEU 15 3HD1 LEU 15 5.350 3.144 3.580 118 HD21 LEU 15 3HD2 LEU 15 7.164 0.924 1.320 119 HD22 LEU 15 1HD2 LEU 15 6.077 0.274 2.549 120 HD23 LEU 15 2HD2 LEU 15 7.118 1.646 2.927 121 H VAL 16 H VAL 16 2.724 4.416 1.202 122 HA VAL 16 HA VAL 16 4.747 6.091 -0.123 123 HB VAL 16 HB VAL 16 1.957 6.870 0.782 124 HG11 VAL 16 1HG1 VAL 16 4.121 8.637 -0.357 125 HG12 VAL 16 2HG1 VAL 16 3.582 8.630 1.321 126 HG13 VAL 16 3HG1 VAL 16 2.474 9.129 0.043 127 HG21 VAL 16 3HG2 VAL 16 3.248 6.883 -1.945 128 HG22 VAL 16 1HG2 VAL 16 1.619 7.449 -1.576 129 HG23 VAL 16 2HG2 VAL 16 2.025 5.744 -1.380 130 H LYS 17 H LYS 17 6.282 6.572 1.266 131 HA LYS 17 HA LYS 17 5.831 6.441 4.128 132 HB2 LYS 17 2HB LYS 17 8.274 7.041 2.469 133 HB3 LYS 17 1HB LYS 17 8.279 7.077 4.223 134 HG2 LYS 17 2HG LYS 17 7.827 4.726 4.332 135 HG3 LYS 17 1HG LYS 17 7.566 4.649 2.586 136 HD2 LYS 17 2HD LYS 17 9.882 5.204 2.170 137 HD3 LYS 17 1HD LYS 17 10.170 5.455 3.890 138 HE2 LYS 17 2HE LYS 17 9.256 2.814 2.769 139 HE3 LYS 17 1HE LYS 17 10.959 3.247 2.892 140 HZ1 LYS 17 3HZ LYS 17 10.769 3.416 5.248 141 HZ2 LYS 17 1HZ LYS 17 10.092 1.938 4.801 142 HZ3 LYS 17 2HZ LYS 17 9.096 3.243 5.210 143 H HIS 18 H HIS 18 6.829 8.239 5.477 144 HA HIS 18 HA HIS 18 6.615 10.878 4.325 145 HB2 HIS 18 2HB HIS 18 5.091 11.534 6.362 146 HB3 HIS 18 1HB HIS 18 4.371 10.873 4.905 147 HD1 HIS 18 1HD HIS 18 5.090 9.999 8.512 148 HD2 HIS 18 2HD HIS 18 3.099 8.412 5.217 149 HE1 HIS 18 1HE HIS 18 3.734 8.094 9.391 150 HE2 HIS 18 2HE HIS 18 2.481 7.190 7.422 151 H SER 19 H SER 19 7.647 12.487 5.501 152 HA SER 19 HA SER 19 9.996 11.874 6.749 153 HB2 SER 19 2HB SER 19 8.377 14.340 7.396 154 HB3 SER 19 1HB SER 19 10.133 14.174 7.400 155 HG SER 19 HG SER 19 10.008 13.811 5.122 156 H GLN 20 H GLN 20 7.015 12.839 8.428 157 HA GLN 20 HA GLN 20 8.119 12.188 10.997 158 HB2 GLN 20 2HB GLN 20 5.287 12.896 10.201 159 HB3 GLN 20 1HB GLN 20 5.878 12.768 11.850 160 HG2 GLN 20 2HG GLN 20 6.828 14.754 9.795 161 HG3 GLN 20 1HG GLN 20 5.703 15.088 11.110 162 HE21 GLN 20 1HE2 GLN 20 6.478 15.165 13.221 163 HE22 GLN 20 2HE2 GLN 20 8.158 15.344 13.572 164 H SER 21 H SER 21 8.596 10.009 10.961 165 HA SER 21 HA SER 21 6.389 8.293 11.562 166 HB2 SER 21 2HB SER 21 6.994 6.568 9.838 167 HB3 SER 21 1HB SER 21 6.275 8.033 9.173 168 HG SER 21 HG SER 21 8.182 8.625 8.327 169 H ARG 22 H ARG 22 9.377 7.137 10.212 170 HA ARG 22 HA ARG 22 10.657 6.858 12.810 171 HB2 ARG 22 2HB ARG 22 10.093 4.467 11.026 172 HB3 ARG 22 1HB ARG 22 11.153 4.447 12.423 173 HG2 ARG 22 2HG ARG 22 9.129 5.114 13.796 174 HG3 ARG 22 1HG ARG 22 8.167 4.756 12.360 175 HD2 ARG 22 2HD ARG 22 9.116 2.476 12.335 176 HD3 ARG 22 1HD ARG 22 9.987 2.845 13.820 177 HE ARG 22 HE ARG 22 7.044 2.943 13.681 178 HH11 ARG 22 1HH1 ARG 22 9.991 1.871 15.289 179 HH12 ARG 22 2HH1 ARG 22 9.140 1.034 16.541 180 HH21 ARG 22 1HH2 ARG 22 5.943 1.811 15.329 181 HH22 ARG 22 2HH2 ARG 22 6.837 1.001 16.571 182 H ARG 23 H ARG 23 10.933 5.632 9.493 183 HA ARG 23 HA ARG 23 13.423 7.118 9.177 184 HB2 ARG 23 2HB ARG 23 14.000 4.797 9.846 185 HB3 ARG 23 1HB ARG 23 13.101 4.197 8.463 186 HG2 ARG 23 2HG ARG 23 14.656 5.372 6.963 187 HG3 ARG 23 1HG ARG 23 15.572 5.917 8.371 188 HD2 ARG 23 2HD ARG 23 15.115 3.056 7.528 189 HD3 ARG 23 1HD ARG 23 16.622 3.959 7.383 190 HE ARG 23 HE ARG 23 16.178 4.126 10.001 191 HH11 ARG 23 1HH1 ARG 23 16.012 1.353 7.856 192 HH12 ARG 23 2HH1 ARG 23 16.451 0.217 9.081 193 HH21 ARG 23 1HH2 ARG 23 16.751 2.617 11.628 194 HH22 ARG 23 2HH2 ARG 23 16.874 0.939 11.236 195 HA PRO 24 HA PRO 24 10.786 7.740 5.530 196 HB2 PRO 24 2HB PRO 24 11.503 10.279 5.061 197 HB3 PRO 24 1HB PRO 24 10.389 9.858 6.370 198 HG2 PRO 24 2HG PRO 24 13.311 10.480 6.495 199 HG3 PRO 24 1HG PRO 24 12.007 11.010 7.571 200 HD2 PRO 24 2HD PRO 24 13.706 8.927 8.126 201 HD3 PRO 24 1HD PRO 24 12.070 9.075 8.793 202 H SER 25 H SER 25 13.037 6.202 5.190 203 HA SER 25 HA SER 25 14.415 7.517 2.949 204 HB2 SER 25 2HB SER 25 15.835 6.931 4.983 205 HB3 SER 25 1HB SER 25 15.535 5.239 4.590 206 HG SER 25 HG SER 25 16.755 7.177 2.911 207 H SER 26 H SER 26 14.391 6.488 1.011 208 HA SER 26 HA SER 26 13.546 3.710 0.831 209 HB2 SER 26 2HB SER 26 11.723 4.228 -0.708 210 HB3 SER 26 1HB SER 26 11.455 5.040 0.835 211 H TRP 27 H TRP 27 13.114 3.604 -1.885 212 HA TRP 27 HA TRP 27 15.746 4.219 -2.950 213 HB2 TRP 27 2HB TRP 27 15.175 2.784 -4.797 214 HB3 TRP 27 1HB TRP 27 14.669 1.970 -3.326 215 HD1 TRP 27 HD TRP 27 11.906 2.138 -2.814 216 HE1 TRP 27 1HE TRP 27 9.964 2.051 -4.505 217 HE3 TRP 27 3HE TRP 27 14.482 3.308 -7.075 218 HZ2 TRP 27 2HZ TRP 27 9.581 2.424 -7.276 219 HZ3 TRP 27 3HZ TRP 27 13.253 3.417 -9.202 220 HH2 TRP 27 HH TRP 27 10.855 2.983 -9.299 221 H ARG 28 H ARG 28 12.883 5.754 -2.614 222 HA ARG 28 HA ARG 28 12.840 7.112 -5.183 223 HB2 ARG 28 2HB ARG 28 11.138 7.476 -2.709 224 HB3 ARG 28 1HB ARG 28 10.862 8.253 -4.262 225 HG2 ARG 28 2HG ARG 28 10.872 5.272 -3.888 226 HG3 ARG 28 1HG ARG 28 9.419 6.269 -3.773 227 HD2 ARG 28 2HD ARG 28 11.233 6.197 -6.173 228 HD3 ARG 28 1HD ARG 28 9.785 5.207 -6.004 229 HE ARG 28 HE ARG 28 8.681 7.519 -5.647 230 HH11 ARG 28 1HH1 ARG 28 11.313 6.838 -7.868 231 HH12 ARG 28 2HH1 ARG 28 10.807 8.012 -9.028 232 HH21 ARG 28 1HH2 ARG 28 8.015 9.095 -7.166 233 HH22 ARG 28 2HH2 ARG 28 8.908 9.310 -8.630 234 H GLN 29 H GLN 29 13.047 8.003 -1.749 235 HA GLN 29 HA GLN 29 14.906 10.140 -2.525 236 HB2 GLN 29 2HB GLN 29 12.781 10.416 -0.384 237 HB3 GLN 29 1HB GLN 29 13.937 11.641 -0.873 238 HG2 GLN 29 2HG GLN 29 12.862 11.606 -3.144 239 HG3 GLN 29 1HG GLN 29 11.611 10.576 -2.454 240 HE21 GLN 29 1HE2 GLN 29 13.182 13.215 -0.751 241 HE22 GLN 29 2HE2 GLN 29 11.797 14.250 -0.678 242 H GLU 30 H GLU 30 16.695 10.285 -1.268 243 HA GLU 30 HA GLU 30 17.406 8.222 0.496 244 HB2 GLU 30 2HB GLU 30 19.018 9.693 -0.684 245 HB3 GLU 30 1HB GLU 30 18.522 11.030 0.339 246 HG2 GLU 30 2HG GLU 30 19.369 9.865 2.295 247 HG3 GLU 30 1HG GLU 30 19.836 8.496 1.283 248 H LYS 31 H LYS 31 16.113 11.429 0.999 249 HA LYS 31 HA LYS 31 15.038 10.540 3.537 250 HB2 LYS 31 2HB LYS 31 15.527 12.772 4.571 251 HB3 LYS 31 1HB LYS 31 16.953 11.795 4.277 252 HG2 LYS 31 2HG LYS 31 17.493 13.141 2.323 253 HG3 LYS 31 1HG LYS 31 16.020 14.088 2.556 254 HD2 LYS 31 2HD LYS 31 16.851 14.799 4.764 255 HD3 LYS 31 1HD LYS 31 18.337 13.892 4.486 256 HE2 LYS 31 2HE LYS 31 17.343 16.189 2.804 257 HE3 LYS 31 1HE LYS 31 18.601 16.297 4.029 258 HZ1 LYS 31 3HZ LYS 31 19.570 16.111 1.853 259 HZ2 LYS 31 1HZ LYS 31 18.718 14.689 1.533 260 HZ3 LYS 31 2HZ LYS 31 19.910 14.711 2.727 261 H ILE 32 H ILE 32 13.018 10.415 2.913 262 HA ILE 32 HA ILE 32 11.781 11.967 0.956 263 HB ILE 32 HB ILE 32 10.560 10.345 3.194 264 HG12 ILE 32 2HG1 ILE 32 10.955 9.755 0.254 265 HG13 ILE 32 1HG1 ILE 32 11.969 9.134 1.551 266 HG21 ILE 32 1HG2 ILE 32 9.229 11.518 0.752 267 HG22 ILE 32 2HG2 ILE 32 8.955 12.014 2.422 268 HG23 ILE 32 3HG2 ILE 32 8.482 10.399 1.892 269 HD11 ILE 32 3HD1 ILE 32 10.072 7.929 2.456 270 HD12 ILE 32 1HD1 ILE 32 10.373 7.482 0.777 271 HD13 ILE 32 2HD1 ILE 32 9.043 8.572 1.174 272 H THR 33 H THR 33 11.041 13.900 0.916 273 HA THR 33 HA THR 33 11.187 15.548 3.273 274 HB THR 33 HB THR 33 10.617 17.333 1.472 275 HG1 THR 33 1HG THR 33 10.258 16.482 -0.436 276 HG21 THR 33 3HG2 THR 33 12.973 17.379 0.766 277 HG22 THR 33 1HG2 THR 33 13.184 15.737 1.370 278 HG23 THR 33 2HG2 THR 33 12.830 17.050 2.492 279 H ARG 34 H ARG 34 8.706 13.877 1.643 280 HA ARG 34 HA ARG 34 6.665 15.852 2.136 281 HB2 ARG 34 2HB ARG 34 5.167 14.447 1.028 282 HB3 ARG 34 1HB ARG 34 6.695 14.087 0.247 283 HG2 ARG 34 2HG ARG 34 6.909 12.093 1.708 284 HG3 ARG 34 1HG ARG 34 5.294 12.433 2.329 285 HD2 ARG 34 2HD ARG 34 4.895 10.870 0.661 286 HD3 ARG 34 1HD ARG 34 4.581 12.402 -0.146 287 HE ARG 34 HE ARG 34 6.646 12.181 -1.308 288 HH11 ARG 34 1HH1 ARG 34 5.853 9.407 0.681 289 HH12 ARG 34 2HH1 ARG 34 6.809 8.289 -0.237 290 HH21 ARG 34 1HH2 ARG 34 7.983 10.664 -2.533 291 HH22 ARG 34 2HH2 ARG 34 8.024 9.005 -2.024 292 H THR 35 H THR 35 5.368 16.033 3.848 293 HA THR 35 HA THR 35 5.945 14.351 6.135 294 HB THR 35 HB THR 35 5.717 16.812 6.410 295 HG1 THR 35 1HG THR 35 4.904 16.535 8.358 296 HG21 THR 35 3HG2 THR 35 3.467 17.819 6.393 297 HG22 THR 35 1HG2 THR 35 2.804 16.303 5.782 298 HG23 THR 35 2HG2 THR 35 3.934 17.232 4.797 299 H LYS 36 H LYS 36 3.699 14.090 7.529 300 HA LYS 36 HA LYS 36 2.416 11.883 6.325 301 HB2 LYS 36 2HB LYS 36 2.607 12.119 8.755 302 HB3 LYS 36 1HB LYS 36 1.562 13.531 8.714 303 HG2 LYS 36 2HG LYS 36 -0.271 12.100 7.864 304 HG3 LYS 36 1HG LYS 36 0.787 10.699 8.037 305 HD2 LYS 36 2HD LYS 36 0.947 11.071 10.424 306 HD3 LYS 36 1HD LYS 36 -0.001 12.553 10.284 307 HE2 LYS 36 2HE LYS 36 -1.913 11.240 9.479 308 HE3 LYS 36 1HE LYS 36 -0.966 9.764 9.649 309 HZ1 LYS 36 3HZ LYS 36 -0.809 10.190 12.025 310 HZ2 LYS 36 1HZ LYS 36 -2.424 10.106 11.535 311 HZ3 LYS 36 2HZ LYS 36 -1.714 11.606 11.853 312 H GLU 37 H GLU 37 1.448 15.242 6.754 313 HA GLU 37 HA GLU 37 -1.185 15.057 5.860 314 HB2 GLU 37 2HB GLU 37 0.714 17.389 5.539 315 HB3 GLU 37 1HB GLU 37 -1.040 17.469 5.472 316 HG2 GLU 37 2HG GLU 37 -1.156 16.760 7.814 317 HG3 GLU 37 1HG GLU 37 0.604 16.708 7.877 318 H GLU 38 H GLU 38 1.787 15.722 4.059 319 HA GLU 38 HA GLU 38 0.541 16.027 1.535 320 HB2 GLU 38 2HB GLU 38 3.393 15.305 2.208 321 HB3 GLU 38 1HB GLU 38 2.819 15.834 0.633 322 HG2 GLU 38 2HG GLU 38 2.253 17.996 1.512 323 HG3 GLU 38 1HG GLU 38 2.659 17.475 3.146 324 H ALA 39 H ALA 39 1.747 13.283 3.312 325 HA ALA 39 HA ALA 39 1.715 11.474 1.098 326 HB1 ALA 39 1HB ALA 39 2.059 9.732 2.775 327 HB2 ALA 39 2HB ALA 39 1.730 10.895 4.060 328 HB3 ALA 39 3HB ALA 39 3.153 11.090 3.037 329 H LEU 40 H LEU 40 -0.509 12.293 3.708 330 HA LEU 40 HA LEU 40 -2.383 10.250 3.264 331 HB2 LEU 40 2HB LEU 40 -2.331 11.589 5.303 332 HB3 LEU 40 1HB LEU 40 -2.796 13.015 4.398 333 HG LEU 40 HG LEU 40 -4.973 11.975 3.890 334 HD11 LEU 40 1HD1 LEU 40 -3.978 9.754 5.665 335 HD12 LEU 40 2HD1 LEU 40 -4.356 9.643 3.946 336 HD13 LEU 40 3HD1 LEU 40 -5.642 9.946 5.114 337 HD21 LEU 40 3HD2 LEU 40 -5.904 12.135 6.148 338 HD22 LEU 40 1HD2 LEU 40 -4.750 13.430 5.828 339 HD23 LEU 40 2HD2 LEU 40 -4.277 12.053 6.824 340 H GLU 41 H GLU 41 -2.305 13.605 2.068 341 HA GLU 41 HA GLU 41 -4.676 13.391 0.556 342 HB2 GLU 41 2HB GLU 41 -3.954 15.432 -0.578 343 HB3 GLU 41 1HB GLU 41 -3.710 15.562 1.156 344 HG2 GLU 41 2HG GLU 41 -1.355 15.208 0.910 345 HG3 GLU 41 1HG GLU 41 -1.543 14.864 -0.808 346 H LEU 42 H LEU 42 -1.349 12.587 -0.119 347 HA LEU 42 HA LEU 42 -1.552 12.278 -2.906 348 HB2 LEU 42 2HB LEU 42 0.554 12.446 -1.559 349 HB3 LEU 42 1HB LEU 42 0.271 10.808 -1.006 350 HG LEU 42 HG LEU 42 0.408 10.044 -3.362 351 HD11 LEU 42 1HD1 LEU 42 -0.186 12.102 -4.485 352 HD12 LEU 42 2HD1 LEU 42 1.405 11.556 -5.015 353 HD13 LEU 42 3HD1 LEU 42 1.267 12.885 -3.865 354 HD21 LEU 42 3HD2 LEU 42 2.850 10.281 -3.535 355 HD22 LEU 42 1HD2 LEU 42 2.332 9.860 -1.903 356 HD23 LEU 42 2HD2 LEU 42 2.804 11.516 -2.278 357 H ILE 43 H ILE 43 -1.883 10.001 -0.212 358 HA ILE 43 HA ILE 43 -2.362 7.661 -1.656 359 HB ILE 43 HB ILE 43 -3.410 8.518 1.049 360 HG12 ILE 43 2HG1 ILE 43 -0.963 8.324 0.869 361 HG13 ILE 43 1HG1 ILE 43 -1.636 7.102 1.939 362 HG21 ILE 43 1HG2 ILE 43 -3.486 5.765 -0.184 363 HG22 ILE 43 2HG2 ILE 43 -4.876 6.796 0.151 364 HG23 ILE 43 3HG2 ILE 43 -3.911 6.159 1.482 365 HD11 ILE 43 3HD1 ILE 43 0.088 6.138 0.572 366 HD12 ILE 43 1HD1 ILE 43 -0.715 6.693 -0.896 367 HD13 ILE 43 2HD1 ILE 43 -1.472 5.461 0.112 368 H ASN 44 H ASN 44 -4.696 9.999 -0.343 369 HA ASN 44 HA ASN 44 -6.998 8.756 -1.362 370 HB2 ASN 44 2HB ASN 44 -6.439 11.609 -0.561 371 HB3 ASN 44 1HB ASN 44 -8.011 11.114 -1.179 372 HD21 ASN 44 1HD2 ASN 44 -5.780 10.926 1.475 373 HD22 ASN 44 2HD2 ASN 44 -6.881 10.211 2.600 374 H GLY 45 H GLY 45 -4.788 11.096 -2.770 375 HA2 GLY 45 2HA GLY 45 -6.240 11.746 -5.074 376 HA3 GLY 45 1HA GLY 45 -4.487 11.788 -4.932 377 H TYR 46 H TYR 46 -3.822 9.182 -4.547 378 HA TYR 46 HA TYR 46 -3.942 8.087 -7.124 379 HB2 TYR 46 2HB TYR 46 -3.310 6.748 -4.485 380 HB3 TYR 46 1HB TYR 46 -3.106 5.972 -6.049 381 HD1 TYR 46 1HD TYR 46 -1.916 8.074 -7.685 382 HD2 TYR 46 2HD TYR 46 -1.190 7.076 -3.613 383 HE1 TYR 46 1HE TYR 46 0.342 9.015 -7.863 384 HE2 TYR 46 2HE TYR 46 1.072 8.022 -3.782 385 HH TYR 46 HH TYR 46 2.055 9.941 -6.431 386 H ILE 47 H ILE 47 -5.734 7.255 -4.184 387 HA ILE 47 HA ILE 47 -7.250 5.145 -5.144 388 HB ILE 47 HB ILE 47 -8.080 7.283 -3.165 389 HG12 ILE 47 2HG1 ILE 47 -6.950 4.506 -2.733 390 HG13 ILE 47 1HG1 ILE 47 -6.058 6.011 -2.540 391 HG21 ILE 47 1HG2 ILE 47 -9.751 5.669 -2.364 392 HG22 ILE 47 2HG2 ILE 47 -9.318 4.578 -3.680 393 HG23 ILE 47 3HG2 ILE 47 -10.048 6.144 -4.037 394 HD11 ILE 47 3HD1 ILE 47 -6.756 5.107 -0.396 395 HD12 ILE 47 1HD1 ILE 47 -8.442 5.152 -0.913 396 HD13 ILE 47 2HD1 ILE 47 -7.540 6.654 -0.712 397 H GLN 48 H GLN 48 -7.946 8.625 -5.332 398 HA GLN 48 HA GLN 48 -10.461 8.404 -6.573 399 HB2 GLN 48 2HB GLN 48 -8.438 10.641 -6.799 400 HB3 GLN 48 1HB GLN 48 -10.119 10.746 -7.298 401 HG2 GLN 48 2HG GLN 48 -9.066 10.393 -4.505 402 HG3 GLN 48 1HG GLN 48 -9.870 11.810 -5.177 403 HE21 GLN 48 1HE2 GLN 48 -10.271 8.622 -3.911 404 HE22 GLN 48 2HE2 GLN 48 -11.989 8.655 -3.779 405 H LYS 49 H LYS 49 -7.227 8.828 -7.974 406 HA LYS 49 HA LYS 49 -8.060 8.912 -10.663 407 HB2 LYS 49 2HB LYS 49 -5.415 8.073 -9.476 408 HB3 LYS 49 1HB LYS 49 -5.696 8.367 -11.187 409 HG2 LYS 49 2HG LYS 49 -6.236 10.692 -10.717 410 HG3 LYS 49 1HG LYS 49 -6.013 10.404 -8.991 411 HD2 LYS 49 2HD LYS 49 -4.045 11.468 -9.973 412 HD3 LYS 49 1HD LYS 49 -3.665 9.849 -9.384 413 HE2 LYS 49 2HE LYS 49 -3.842 8.973 -11.653 414 HE3 LYS 49 1HE LYS 49 -4.268 10.576 -12.250 415 HZ1 LYS 49 3HZ LYS 49 -1.910 9.898 -12.548 416 HZ2 LYS 49 1HZ LYS 49 -1.716 9.973 -10.873 417 HZ3 LYS 49 2HZ LYS 49 -2.115 11.370 -11.736 418 H ILE 50 H ILE 50 -7.066 6.226 -8.599 419 HA ILE 50 HA ILE 50 -7.012 4.239 -10.587 420 HB ILE 50 HB ILE 50 -7.504 4.013 -7.612 421 HG12 ILE 50 2HG1 ILE 50 -5.039 3.431 -9.264 422 HG13 ILE 50 1HG1 ILE 50 -5.301 4.907 -8.341 423 HG21 ILE 50 1HG2 ILE 50 -6.925 1.815 -9.598 424 HG22 ILE 50 2HG2 ILE 50 -8.444 2.064 -8.739 425 HG23 ILE 50 3HG2 ILE 50 -6.988 1.625 -7.846 426 HD11 ILE 50 3HD1 ILE 50 -3.851 3.317 -7.181 427 HD12 ILE 50 1HD1 ILE 50 -5.160 2.136 -7.192 428 HD13 ILE 50 2HD1 ILE 50 -5.335 3.637 -6.281 429 H LYS 51 H LYS 51 -9.589 5.087 -8.265 430 HA LYS 51 HA LYS 51 -11.400 3.169 -9.307 431 HB2 LYS 51 2HB LYS 51 -12.010 5.626 -7.661 432 HB3 LYS 51 1HB LYS 51 -13.105 4.281 -7.943 433 HG2 LYS 51 2HG LYS 51 -10.543 4.272 -6.359 434 HG3 LYS 51 1HG LYS 51 -12.182 4.012 -5.767 435 HD2 LYS 51 2HD LYS 51 -10.649 2.183 -7.625 436 HD3 LYS 51 1HD LYS 51 -10.947 1.904 -5.912 437 HE2 LYS 51 2HE LYS 51 -13.354 1.817 -6.343 438 HE3 LYS 51 1HE LYS 51 -13.061 2.112 -8.056 439 HZ1 LYS 51 3HZ LYS 51 -13.392 -0.226 -7.657 440 HZ2 LYS 51 1HZ LYS 51 -12.153 -0.253 -6.506 441 HZ3 LYS 51 2HZ LYS 51 -11.795 0.033 -8.129 442 H SER 52 H SER 52 -10.685 6.461 -10.160 443 HA SER 52 HA SER 52 -13.004 6.865 -11.771 444 HB2 SER 52 2HB SER 52 -11.774 8.779 -10.902 445 HB3 SER 52 1HB SER 52 -10.317 8.266 -11.746 446 HG SER 52 HG SER 52 -11.283 8.746 -13.702 447 H GLY 53 H GLY 53 -10.132 5.087 -12.163 448 HA2 GLY 53 2HA GLY 53 -9.584 3.651 -13.891 449 HA3 GLY 53 1HA GLY 53 -10.909 4.322 -14.830 450 H GLU 54 H GLU 54 -8.529 6.401 -13.385 451 HA GLU 54 HA GLU 54 -7.789 7.389 -15.991 452 HB2 GLU 54 2HB GLU 54 -6.609 8.129 -13.308 453 HB3 GLU 54 1HB GLU 54 -6.476 9.040 -14.803 454 HG2 GLU 54 2HG GLU 54 -8.935 8.608 -13.135 455 HG3 GLU 54 1HG GLU 54 -8.074 10.120 -13.413 456 H GLU 55 H GLU 55 -6.000 6.028 -13.249 457 HA GLU 55 HA GLU 55 -4.215 4.721 -15.155 458 HB2 GLU 55 2HB GLU 55 -3.366 6.247 -12.686 459 HB3 GLU 55 1HB GLU 55 -2.312 5.159 -13.578 460 HG2 GLU 55 2HG GLU 55 -2.675 6.581 -15.594 461 HG3 GLU 55 1HG GLU 55 -3.544 7.717 -14.565 462 H ASP 56 H ASP 56 -3.209 2.803 -14.308 463 HA ASP 56 HA ASP 56 -5.060 1.421 -12.567 464 HB2 ASP 56 2HB ASP 56 -4.163 0.427 -14.695 465 HB3 ASP 56 1HB ASP 56 -2.599 0.295 -13.896 466 H PHE 57 H PHE 57 -4.484 0.260 -10.716 467 HA PHE 57 HA PHE 57 -2.894 1.557 -8.850 468 HB2 PHE 57 2HB PHE 57 -4.679 -0.002 -8.238 469 HB3 PHE 57 1HB PHE 57 -3.766 -1.341 -8.920 470 HD1 PHE 57 1HD PHE 57 -3.966 1.053 -6.142 471 HD2 PHE 57 2HD PHE 57 -1.960 -2.354 -7.708 472 HE1 PHE 57 1HE PHE 57 -2.921 0.670 -3.959 473 HE2 PHE 57 2HE PHE 57 -0.910 -2.740 -5.520 474 HZ PHE 57 HZ PHE 57 -1.391 -1.228 -3.643 475 H GLU 58 H GLU 58 -2.146 -1.234 -10.904 476 HA GLU 58 HA GLU 58 0.356 -1.889 -9.832 477 HB2 GLU 58 2HB GLU 58 -0.689 -2.172 -12.648 478 HB3 GLU 58 1HB GLU 58 0.780 -2.931 -12.054 479 HG2 GLU 58 2HG GLU 58 -1.920 -3.399 -10.832 480 HG3 GLU 58 1HG GLU 58 -1.260 -4.384 -12.136 481 H SER 59 H SER 59 -0.539 0.361 -12.400 482 HA SER 59 HA SER 59 2.072 1.048 -13.192 483 HB2 SER 59 2HB SER 59 -0.436 2.734 -13.342 484 HB3 SER 59 1HB SER 59 1.027 2.947 -14.301 485 HG SER 59 HG SER 59 0.242 0.428 -14.583 486 H LEU 60 H LEU 60 -0.149 2.460 -10.833 487 HA LEU 60 HA LEU 60 1.569 4.626 -10.166 488 HB2 LEU 60 2HB LEU 60 -0.760 3.456 -8.651 489 HB3 LEU 60 1HB LEU 60 0.028 4.974 -8.273 490 HG LEU 60 HG LEU 60 -1.490 4.369 -10.813 491 HD11 LEU 60 1HD1 LEU 60 -2.191 6.095 -8.450 492 HD12 LEU 60 2HD1 LEU 60 -2.962 4.576 -8.904 493 HD13 LEU 60 3HD1 LEU 60 -3.109 5.988 -9.950 494 HD21 LEU 60 3HD2 LEU 60 -1.223 6.769 -11.272 495 HD22 LEU 60 1HD2 LEU 60 0.326 5.927 -11.226 496 HD23 LEU 60 2HD2 LEU 60 -0.182 6.913 -9.855 497 H ALA 61 H ALA 61 0.946 1.456 -8.728 498 HA ALA 61 HA ALA 61 2.551 1.890 -6.432 499 HB1 ALA 61 1HB ALA 61 2.354 -0.504 -6.060 500 HB2 ALA 61 2HB ALA 61 1.742 -0.723 -7.699 501 HB3 ALA 61 3HB ALA 61 0.795 0.182 -6.519 502 H SER 62 H SER 62 3.305 1.026 -9.680 503 HA SER 62 HA SER 62 5.839 -0.163 -9.014 504 HB2 SER 62 2HB SER 62 4.439 -0.821 -11.017 505 HB3 SER 62 1HB SER 62 4.906 0.712 -11.744 506 HG SER 62 HG SER 62 7.002 -0.763 -10.730 507 H GLN 63 H GLN 63 4.708 3.023 -9.957 508 HA GLN 63 HA GLN 63 7.524 3.855 -10.183 509 HB2 GLN 63 2HB GLN 63 5.092 5.014 -11.522 510 HB3 GLN 63 1HB GLN 63 6.693 5.737 -11.585 511 HG2 GLN 63 2HG GLN 63 7.549 3.691 -12.649 512 HG3 GLN 63 1HG GLN 63 5.921 3.023 -12.631 513 HE21 GLN 63 1HE2 GLN 63 4.650 5.557 -13.252 514 HE22 GLN 63 2HE2 GLN 63 4.982 5.874 -14.913 515 H PHE 64 H PHE 64 4.591 4.430 -8.442 516 HA PHE 64 HA PHE 64 5.779 6.881 -7.328 517 HB2 PHE 64 2HB PHE 64 2.883 6.151 -7.717 518 HB3 PHE 64 1HB PHE 64 3.418 7.534 -6.768 519 HD1 PHE 64 1HD PHE 64 4.503 9.435 -7.851 520 HD2 PHE 64 2HD PHE 64 2.965 6.174 -10.105 521 HE1 PHE 64 1HE PHE 64 4.615 10.800 -9.892 522 HE2 PHE 64 2HE PHE 64 3.073 7.533 -12.149 523 HZ PHE 64 HZ PHE 64 3.900 9.848 -12.045 524 H SER 65 H SER 65 6.083 4.040 -6.415 525 HA SER 65 HA SER 65 5.102 4.506 -3.691 526 HB2 SER 65 2HB SER 65 4.079 2.506 -4.767 527 HB3 SER 65 1HB SER 65 5.692 1.812 -4.936 528 HG SER 65 HG SER 65 4.960 2.722 -2.411 529 H ASP 66 H ASP 66 6.512 4.333 -2.020 530 HA ASP 66 HA ASP 66 9.316 4.519 -2.734 531 HB2 ASP 66 2HB ASP 66 8.205 4.630 0.065 532 HB3 ASP 66 1HB ASP 66 9.688 5.346 -0.549 533 H CYS 67 H CYS 67 7.386 1.990 -2.296 534 HA CYS 67 HA CYS 67 9.043 0.432 -0.494 535 HB2 CYS 67 2HB CYS 67 6.623 0.146 -0.429 536 HB3 CYS 67 1HB CYS 67 6.607 -0.335 -2.119 537 HG CYS 67 HG CYS 67 8.259 -2.115 0.293 538 H SER 68 H SER 68 10.140 -1.479 -1.100 539 HA SER 68 HA SER 68 11.581 -1.333 -3.510 540 HB2 SER 68 2HB SER 68 12.419 -2.435 -1.447 541 HB3 SER 68 1HB SER 68 11.232 -3.718 -1.672 542 HG SER 68 HG SER 68 12.256 -4.119 -3.737 543 H SER 69 H SER 69 8.588 -2.874 -2.651 544 HA SER 69 HA SER 69 8.456 -4.788 -4.706 545 HB2 SER 69 2HB SER 69 6.139 -3.375 -3.396 546 HB3 SER 69 1HB SER 69 6.122 -4.954 -4.180 547 HG SER 69 HG SER 69 7.846 -5.432 -2.498 548 H ALA 70 H ALA 70 8.253 -1.389 -4.828 549 HA ALA 70 HA ALA 70 6.439 -0.954 -6.915 550 HB1 ALA 70 1HB ALA 70 7.616 1.148 -7.278 551 HB2 ALA 70 2HB ALA 70 8.979 0.565 -6.321 552 HB3 ALA 70 3HB ALA 70 7.418 0.844 -5.551 553 H LYS 71 H LYS 71 9.702 -2.116 -6.878 554 HA LYS 71 HA LYS 71 10.210 -1.822 -9.667 555 HB2 LYS 71 2HB LYS 71 11.533 -3.598 -7.612 556 HB3 LYS 71 1HB LYS 71 12.165 -3.243 -9.213 557 HG2 LYS 71 2HG LYS 71 12.414 -0.907 -8.636 558 HG3 LYS 71 1HG LYS 71 11.687 -1.199 -7.056 559 HD2 LYS 71 2HD LYS 71 13.533 -2.665 -6.458 560 HD3 LYS 71 1HD LYS 71 14.243 -2.446 -8.060 561 HE2 LYS 71 2HE LYS 71 14.545 -0.076 -7.627 562 HE3 LYS 71 1HE LYS 71 13.765 -0.244 -6.055 563 HZ1 LYS 71 3HZ LYS 71 16.186 -0.197 -5.905 564 HZ2 LYS 71 1HZ LYS 71 16.288 -1.590 -6.854 565 HZ3 LYS 71 2HZ LYS 71 15.561 -1.655 -5.330 566 H ALA 72 H ALA 72 8.191 -3.845 -7.961 567 HA ALA 72 HA ALA 72 8.124 -5.794 -10.166 568 HB1 ALA 72 1HB ALA 72 7.492 -7.520 -8.554 569 HB2 ALA 72 2HB ALA 72 7.626 -6.352 -7.240 570 HB3 ALA 72 3HB ALA 72 9.062 -6.827 -8.148 571 H ARG 73 H ARG 73 6.664 -3.248 -9.555 572 HA ARG 73 HA ARG 73 4.607 -2.397 -9.965 573 HB2 ARG 73 2HB ARG 73 4.099 -5.242 -10.710 574 HB3 ARG 73 1HB ARG 73 2.752 -4.119 -10.605 575 HG2 ARG 73 2HG ARG 73 3.665 -2.741 -12.309 576 HG3 ARG 73 1HG ARG 73 5.193 -3.625 -12.287 577 HD2 ARG 73 2HD ARG 73 3.623 -4.174 -14.183 578 HD3 ARG 73 1HD ARG 73 4.204 -5.544 -13.240 579 HE ARG 73 HE ARG 73 1.867 -4.960 -12.027 580 HH11 ARG 73 1HH1 ARG 73 2.692 -5.435 -15.408 581 HH12 ARG 73 2HH1 ARG 73 1.155 -6.107 -15.817 582 HH21 ARG 73 1HH2 ARG 73 -0.131 -5.854 -12.552 583 HH22 ARG 73 2HH2 ARG 73 -0.480 -6.352 -14.177 584 H GLY 74 H GLY 74 5.354 -4.030 -7.336 585 HA2 GLY 74 2HA GLY 74 4.382 -3.540 -5.236 586 HA3 GLY 74 1HA GLY 74 2.846 -3.257 -6.043 587 H ASP 75 H ASP 75 3.768 -5.924 -7.500 588 HA ASP 75 HA ASP 75 2.008 -7.594 -6.046 589 HB2 ASP 75 2HB ASP 75 2.220 -7.991 -8.390 590 HB3 ASP 75 1HB ASP 75 3.964 -8.196 -8.263 591 H LEU 76 H LEU 76 2.327 -9.067 -4.547 592 HA LEU 76 HA LEU 76 5.081 -9.497 -3.601 593 HB2 LEU 76 2HB LEU 76 2.468 -9.601 -2.101 594 HB3 LEU 76 1HB LEU 76 4.021 -10.036 -1.417 595 HG LEU 76 HG LEU 76 3.336 -7.290 -2.458 596 HD11 LEU 76 1HD1 LEU 76 3.203 -6.647 -0.102 597 HD12 LEU 76 2HD1 LEU 76 3.414 -8.334 0.367 598 HD13 LEU 76 3HD1 LEU 76 1.972 -7.840 -0.520 599 HD21 LEU 76 3HD2 LEU 76 5.369 -6.636 -1.247 600 HD22 LEU 76 1HD2 LEU 76 5.713 -7.793 -2.532 601 HD23 LEU 76 2HD2 LEU 76 5.671 -8.328 -0.853 602 H GLY 77 H GLY 77 2.542 -10.937 -5.199 603 HA2 GLY 77 2HA GLY 77 2.192 -13.125 -5.820 604 HA3 GLY 77 1HA GLY 77 3.640 -13.564 -4.917 605 H ALA 78 H ALA 78 2.419 -15.424 -4.178 606 HA ALA 78 HA ALA 78 0.205 -14.942 -2.391 607 HB1 ALA 78 1HB ALA 78 0.243 -17.367 -2.038 608 HB2 ALA 78 2HB ALA 78 1.744 -17.480 -2.957 609 HB3 ALA 78 3HB ALA 78 0.256 -16.976 -3.758 610 H PHE 79 H PHE 79 0.607 -14.101 -0.464 611 HA PHE 79 HA PHE 79 3.099 -14.870 0.890 612 HB2 PHE 79 2HB PHE 79 2.845 -12.749 2.187 613 HB3 PHE 79 1HB PHE 79 3.091 -12.509 0.463 614 HD1 PHE 79 1HD PHE 79 0.655 -12.310 3.213 615 HD2 PHE 79 2HD PHE 79 1.394 -11.518 -0.903 616 HE1 PHE 79 1HE PHE 79 -1.358 -10.897 3.127 617 HE2 PHE 79 2HE PHE 79 -0.614 -10.107 -0.996 618 HZ PHE 79 HZ PHE 79 -1.994 -9.793 1.020 619 H SER 80 H SER 80 3.074 -15.168 3.154 620 HA SER 80 HA SER 80 0.584 -16.362 4.102 621 HB2 SER 80 2HB SER 80 3.334 -16.451 5.363 622 HB3 SER 80 1HB SER 80 1.955 -17.483 5.740 623 HG SER 80 HG SER 80 3.507 -17.419 3.374 624 H ARG 81 H ARG 81 0.023 -16.004 6.429 625 HA ARG 81 HA ARG 81 -0.304 -13.243 6.939 626 HB2 ARG 81 2HB ARG 81 -0.742 -15.619 8.749 627 HB3 ARG 81 1HB ARG 81 -1.245 -13.978 9.125 628 HG2 ARG 81 2HG ARG 81 -2.648 -14.029 7.054 629 HG3 ARG 81 1HG ARG 81 -2.252 -15.744 6.911 630 HD2 ARG 81 2HD ARG 81 -4.399 -15.462 8.020 631 HD3 ARG 81 1HD ARG 81 -3.215 -16.139 9.138 632 HE ARG 81 HE ARG 81 -3.062 -13.448 9.557 633 HH11 ARG 81 1HH1 ARG 81 -5.676 -15.798 9.684 634 HH12 ARG 81 2HH1 ARG 81 -6.587 -14.922 10.858 635 HH21 ARG 81 1HH2 ARG 81 -4.288 -12.255 11.090 636 HH22 ARG 81 2HH2 ARG 81 -5.796 -12.886 11.666 637 H GLY 82 H GLY 82 1.715 -15.691 8.557 638 HA2 GLY 82 2HA GLY 82 2.843 -13.876 10.431 639 HA3 GLY 82 1HA GLY 82 3.465 -15.471 10.037 640 H GLN 83 H GLN 83 3.473 -14.444 7.142 641 HA GLN 83 HA GLN 83 6.168 -13.327 7.292 642 HB2 GLN 83 2HB GLN 83 4.609 -14.575 5.035 643 HB3 GLN 83 1HB GLN 83 6.195 -13.850 4.831 644 HG2 GLN 83 2HG GLN 83 5.541 -16.188 6.605 645 HG3 GLN 83 1HG GLN 83 6.336 -16.265 5.035 646 HE21 GLN 83 1HE2 GLN 83 8.442 -15.461 4.834 647 HE22 GLN 83 2HE2 GLN 83 9.468 -15.256 6.209 648 H MET 84 H MET 84 3.334 -12.009 7.483 649 HA MET 84 HA MET 84 4.017 -9.779 5.707 650 HB2 MET 84 2HB MET 84 2.106 -11.067 4.812 651 HB3 MET 84 1HB MET 84 1.240 -10.810 6.317 652 HG2 MET 84 2HG MET 84 0.562 -9.328 4.433 653 HG3 MET 84 1HG MET 84 1.039 -8.488 5.908 654 HE1 MET 84 3HE MET 84 2.234 -9.588 2.296 655 HE2 MET 84 1HE MET 84 3.490 -10.204 3.371 656 HE3 MET 84 2HE MET 84 3.851 -8.885 2.261 657 H GLN 85 H GLN 85 3.171 -7.697 6.447 658 HA GLN 85 HA GLN 85 3.657 -7.262 9.195 659 HB2 GLN 85 2HB GLN 85 2.297 -5.458 7.191 660 HB3 GLN 85 1HB GLN 85 2.941 -4.962 8.748 661 HG2 GLN 85 2HG GLN 85 5.186 -5.520 8.011 662 HG3 GLN 85 1HG GLN 85 4.549 -6.060 6.458 663 HE21 GLN 85 1HE2 GLN 85 6.451 -3.944 7.101 664 HE22 GLN 85 2HE2 GLN 85 5.800 -2.499 6.410 665 H LYS 86 H LYS 86 2.278 -7.167 10.889 666 HA LYS 86 HA LYS 86 -0.214 -8.402 10.708 667 HB2 LYS 86 2HB LYS 86 0.828 -6.618 12.907 668 HB3 LYS 86 1HB LYS 86 -0.599 -7.635 13.035 669 HG2 LYS 86 2HG LYS 86 2.248 -8.550 12.652 670 HG3 LYS 86 1HG LYS 86 1.257 -8.730 14.100 671 HD2 LYS 86 2HD LYS 86 0.735 -10.030 11.416 672 HD3 LYS 86 1HD LYS 86 1.382 -10.831 12.846 673 HE2 LYS 86 2HE LYS 86 -0.700 -10.321 14.051 674 HE3 LYS 86 1HE LYS 86 -1.346 -9.564 12.598 675 HZ1 LYS 86 3HZ LYS 86 -2.114 -11.848 12.905 676 HZ2 LYS 86 1HZ LYS 86 -0.526 -12.407 12.798 677 HZ3 LYS 86 2HZ LYS 86 -1.262 -11.673 11.460 678 HA PRO 87 HA PRO 87 -2.309 -3.979 10.964 679 HB2 PRO 87 2HB PRO 87 -0.806 -1.996 9.770 680 HB3 PRO 87 1HB PRO 87 -0.912 -2.246 11.515 681 HG2 PRO 87 2HG PRO 87 1.200 -3.152 9.596 682 HG3 PRO 87 1HG PRO 87 1.384 -2.462 11.220 683 HD2 PRO 87 2HD PRO 87 1.621 -5.090 10.802 684 HD3 PRO 87 1HD PRO 87 0.832 -4.463 12.265 685 H PHE 88 H PHE 88 -0.186 -5.102 8.452 686 HA PHE 88 HA PHE 88 -1.798 -4.043 6.299 687 HB2 PHE 88 2HB PHE 88 0.671 -4.282 6.102 688 HB3 PHE 88 1HB PHE 88 0.488 -6.026 6.230 689 HD1 PHE 88 1HD PHE 88 -0.109 -3.091 4.108 690 HD2 PHE 88 2HD PHE 88 -0.215 -7.330 4.367 691 HE1 PHE 88 1HE PHE 88 -0.351 -3.234 1.666 692 HE2 PHE 88 2HE PHE 88 -0.460 -7.483 1.929 693 HZ PHE 88 HZ PHE 88 -0.529 -5.437 0.575 694 H GLU 89 H GLU 89 -1.017 -7.191 7.687 695 HA GLU 89 HA GLU 89 -2.468 -8.929 6.132 696 HB2 GLU 89 2HB GLU 89 -1.008 -9.746 7.831 697 HB3 GLU 89 1HB GLU 89 -1.912 -8.922 9.092 698 HG2 GLU 89 2HG GLU 89 -3.862 -10.459 8.209 699 HG3 GLU 89 1HG GLU 89 -2.507 -11.451 7.670 700 H ASP 90 H ASP 90 -3.571 -7.356 9.108 701 HA ASP 90 HA ASP 90 -6.139 -8.388 9.216 702 HB2 ASP 90 2HB ASP 90 -5.049 -7.179 11.060 703 HB3 ASP 90 1HB ASP 90 -5.203 -5.675 10.161 704 H ALA 91 H ALA 91 -4.937 -5.638 7.411 705 HA ALA 91 HA ALA 91 -7.593 -4.812 6.632 706 HB1 ALA 91 1HB ALA 91 -6.466 -3.045 5.391 707 HB2 ALA 91 2HB ALA 91 -4.906 -3.796 5.724 708 HB3 ALA 91 3HB ALA 91 -5.866 -3.135 7.046 709 H SER 92 H SER 92 -5.026 -6.766 5.339 710 HA SER 92 HA SER 92 -5.814 -6.654 2.602 711 HB2 SER 92 2HB SER 92 -4.213 -8.785 4.033 712 HB3 SER 92 1HB SER 92 -4.297 -8.546 2.288 713 HG SER 92 HG SER 92 -3.378 -6.582 4.118 714 H PHE 93 H PHE 93 -6.383 -8.991 5.206 715 HA PHE 93 HA PHE 93 -8.030 -10.629 3.507 716 HB2 PHE 93 2HB PHE 93 -7.432 -10.770 6.463 717 HB3 PHE 93 1HB PHE 93 -8.433 -11.939 5.606 718 HD1 PHE 93 1HD PHE 93 -7.410 -13.306 3.778 719 HD2 PHE 93 2HD PHE 93 -5.080 -10.902 6.400 720 HE1 PHE 93 1HE PHE 93 -5.398 -14.575 3.148 721 HE2 PHE 93 2HE PHE 93 -3.065 -12.167 5.774 722 HZ PHE 93 HZ PHE 93 -3.223 -14.005 4.146 723 H ALA 94 H ALA 94 -8.579 -7.739 4.732 724 HA ALA 94 HA ALA 94 -11.377 -8.240 5.446 725 HB1 ALA 94 1HB ALA 94 -11.391 -5.918 6.238 726 HB2 ALA 94 2HB ALA 94 -9.725 -5.720 5.694 727 HB3 ALA 94 3HB ALA 94 -10.097 -6.841 7.003 728 H LEU 95 H LEU 95 -9.887 -8.167 2.747 729 HA LEU 95 HA LEU 95 -11.737 -6.319 1.381 730 HB2 LEU 95 2HB LEU 95 -8.973 -7.159 0.499 731 HB3 LEU 95 1HB LEU 95 -10.049 -6.101 -0.385 732 HG LEU 95 HG LEU 95 -8.824 -5.474 2.299 733 HD11 LEU 95 1HD1 LEU 95 -8.141 -4.462 -0.456 734 HD12 LEU 95 2HD1 LEU 95 -7.170 -5.575 0.506 735 HD13 LEU 95 3HD1 LEU 95 -7.420 -3.922 1.059 736 HD21 LEU 95 3HD2 LEU 95 -9.667 -3.223 1.908 737 HD22 LEU 95 1HD2 LEU 95 -10.993 -4.384 1.925 738 HD23 LEU 95 2HD2 LEU 95 -10.399 -3.743 0.392 739 H ARG 96 H ARG 96 -12.133 -7.002 -0.912 740 HA ARG 96 HA ARG 96 -12.337 -9.934 -1.112 741 HB2 ARG 96 2HB ARG 96 -14.056 -7.798 -2.392 742 HB3 ARG 96 1HB ARG 96 -14.234 -9.525 -2.651 743 HG2 ARG 96 2HG ARG 96 -14.777 -9.820 -0.286 744 HG3 ARG 96 1HG ARG 96 -14.605 -8.080 -0.038 745 HD2 ARG 96 2HD ARG 96 -16.404 -7.688 -1.663 746 HD3 ARG 96 1HD ARG 96 -16.591 -9.430 -1.863 747 HE ARG 96 HE ARG 96 -16.831 -8.850 0.850 748 HH11 ARG 96 1HH1 ARG 96 -18.566 -8.220 -2.133 749 HH12 ARG 96 2HH1 ARG 96 -20.109 -8.099 -1.354 750 HH21 ARG 96 1HH2 ARG 96 -18.873 -8.683 1.880 751 HH22 ARG 96 2HH2 ARG 96 -20.279 -8.352 0.927 752 H THR 97 H THR 97 -12.556 -10.543 -3.584 753 HA THR 97 HA THR 97 -10.095 -9.956 -4.811 754 HB THR 97 HB THR 97 -12.586 -11.084 -6.115 755 HG1 THR 97 1HG THR 97 -10.400 -12.480 -4.894 756 HG21 THR 97 3HG2 THR 97 -11.014 -12.143 -7.663 757 HG22 THR 97 1HG2 THR 97 -9.661 -11.371 -6.834 758 HG23 THR 97 2HG2 THR 97 -10.840 -10.389 -7.704 759 H GLY 98 H GLY 98 -9.494 -8.171 -5.863 760 HA2 GLY 98 2HA GLY 98 -9.630 -6.495 -7.478 761 HA3 GLY 98 1HA GLY 98 -11.345 -6.834 -7.655 762 H GLU 99 H GLU 99 -10.710 -6.590 -4.429 763 HA GLU 99 HA GLU 99 -11.801 -3.892 -4.358 764 HB2 GLU 99 2HB GLU 99 -12.886 -5.693 -3.043 765 HB3 GLU 99 1HB GLU 99 -11.402 -5.893 -2.126 766 HG2 GLU 99 2HG GLU 99 -13.063 -4.605 -0.897 767 HG3 GLU 99 1HG GLU 99 -11.619 -3.652 -1.238 768 H MET 100 H MET 100 -10.847 -2.224 -3.202 769 HA MET 100 HA MET 100 -8.012 -2.612 -2.509 770 HB2 MET 100 2HB MET 100 -8.271 -1.470 -4.697 771 HB3 MET 100 1HB MET 100 -9.218 -0.220 -3.907 772 HG2 MET 100 2HG MET 100 -7.274 0.370 -2.535 773 HG3 MET 100 1HG MET 100 -6.329 -0.864 -3.367 774 HE1 MET 100 3HE MET 100 -7.983 2.959 -5.354 775 HE2 MET 100 1HE MET 100 -8.161 2.568 -3.644 776 HE3 MET 100 2HE MET 100 -9.025 1.626 -4.859 777 H SER 101 H SER 101 -7.415 -1.785 -0.591 778 HA SER 101 HA SER 101 -9.456 -0.760 1.149 779 HB2 SER 101 2HB SER 101 -7.649 -0.729 2.840 780 HB3 SER 101 1HB SER 101 -7.760 -2.285 2.024 781 HG SER 101 HG SER 101 -5.812 -0.281 1.816 782 H GLY 102 H GLY 102 -8.887 1.166 2.570 783 HA2 GLY 102 2HA GLY 102 -8.209 3.398 0.840 784 HA3 GLY 102 1HA GLY 102 -8.873 3.495 2.470 785 HA PRO 103 HA PRO 103 -4.446 4.529 2.944 786 HB2 PRO 103 2HB PRO 103 -5.376 6.262 5.106 787 HB3 PRO 103 1HB PRO 103 -4.504 6.698 3.635 788 HG2 PRO 103 2HG PRO 103 -7.096 7.375 4.053 789 HG3 PRO 103 1HG PRO 103 -6.433 7.062 2.439 790 HD2 PRO 103 2HD PRO 103 -8.064 5.268 4.198 791 HD3 PRO 103 1HD PRO 103 -8.174 5.530 2.443 792 H VAL 104 H VAL 104 -3.951 2.492 3.821 793 HA VAL 104 HA VAL 104 -4.676 1.963 6.582 794 HB VAL 104 HB VAL 104 -2.965 0.323 4.688 795 HG11 VAL 104 1HG1 VAL 104 -3.282 -1.503 6.287 796 HG12 VAL 104 2HG1 VAL 104 -4.166 -0.417 7.358 797 HG13 VAL 104 3HG1 VAL 104 -2.456 -0.135 7.034 798 HG21 VAL 104 3HG2 VAL 104 -5.859 -0.003 5.482 799 HG22 VAL 104 1HG2 VAL 104 -4.936 -1.127 4.485 800 HG23 VAL 104 2HG2 VAL 104 -5.264 0.505 3.902 801 H PHE 105 H PHE 105 -3.575 3.075 8.015 802 HA PHE 105 HA PHE 105 -0.955 4.087 7.518 803 HB2 PHE 105 2HB PHE 105 -2.612 4.085 10.044 804 HB3 PHE 105 1HB PHE 105 -1.106 4.966 9.825 805 HD1 PHE 105 2HD PHE 105 -4.649 4.806 8.969 806 HD2 PHE 105 1HD PHE 105 -1.017 6.955 8.451 807 HE1 PHE 105 2HE PHE 105 -5.914 6.717 8.073 808 HE2 PHE 105 1HE PHE 105 -2.274 8.872 7.556 809 HZ PHE 105 HZ PHE 105 -4.727 8.752 7.366 810 H THR 106 H THR 106 0.952 3.397 8.198 811 HA THR 106 HA THR 106 1.078 1.155 10.069 812 HB THR 106 HB THR 106 3.048 0.282 8.680 813 HG1 THR 106 1HG THR 106 2.123 2.342 7.078 814 HG21 THR 106 3HG2 THR 106 1.600 -0.958 7.125 815 HG22 THR 106 1HG2 THR 106 0.284 0.165 7.464 816 HG23 THR 106 2HG2 THR 106 0.901 -0.882 8.742 817 H ASP 107 H ASP 107 3.873 0.926 10.113 818 HA ASP 107 HA ASP 107 4.475 3.001 11.920 819 HB2 ASP 107 2HB ASP 107 6.289 0.950 10.653 820 HB3 ASP 107 1HB ASP 107 6.767 2.027 11.958 821 H SER 108 H SER 108 5.800 2.365 8.672 822 HA SER 108 HA SER 108 7.268 4.866 8.837 823 HB2 SER 108 2HB SER 108 8.438 2.884 8.013 824 HB3 SER 108 1HB SER 108 7.297 2.760 6.676 825 HG SER 108 HG SER 108 8.513 5.223 6.967 826 H GLY 109 H GLY 109 4.619 3.493 6.933 827 HA2 GLY 109 2HA GLY 109 3.898 6.183 6.142 828 HA3 GLY 109 1HA GLY 109 4.411 5.138 4.830 829 H ILE 110 H ILE 110 2.409 5.314 3.874 830 HA ILE 110 HA ILE 110 0.222 3.932 5.272 831 HB ILE 110 HB ILE 110 0.045 5.872 2.950 832 HG12 ILE 110 2HG1 ILE 110 -0.710 6.265 5.858 833 HG13 ILE 110 1HG1 ILE 110 0.726 6.934 5.092 834 HG21 ILE 110 1HG2 ILE 110 -2.106 4.554 4.606 835 HG22 ILE 110 2HG2 ILE 110 -1.750 4.240 2.907 836 HG23 ILE 110 3HG2 ILE 110 -2.381 5.812 3.401 837 HD11 ILE 110 3HD1 ILE 110 -2.123 7.574 4.360 838 HD12 ILE 110 1HD1 ILE 110 -0.682 8.262 3.611 839 HD13 ILE 110 2HD1 ILE 110 -1.039 8.594 5.306 840 H HIS 111 H HIS 111 -0.664 2.153 4.362 841 HA HIS 111 HA HIS 111 0.561 1.202 1.855 842 HB2 HIS 111 2HB HIS 111 -0.410 -0.303 4.285 843 HB3 HIS 111 1HB HIS 111 -0.153 -1.101 2.741 844 HD1 HIS 111 1HD HIS 111 1.863 -2.521 3.323 845 HD2 HIS 111 2HD HIS 111 2.358 1.471 4.366 846 HE1 HIS 111 1HE HIS 111 4.267 -2.291 3.980 847 HE2 HIS 111 2HE HIS 111 4.509 0.079 4.757 848 H ILE 112 H ILE 112 -0.729 1.025 0.168 849 HA ILE 112 HA ILE 112 -3.634 0.833 0.579 850 HB ILE 112 HB ILE 112 -2.177 1.260 -2.045 851 HG12 ILE 112 2HG1 ILE 112 -3.377 3.366 -0.228 852 HG13 ILE 112 1HG1 ILE 112 -1.655 3.111 -0.489 853 HG21 ILE 112 1HG2 ILE 112 -5.041 1.736 -1.221 854 HG22 ILE 112 2HG2 ILE 112 -4.455 0.424 -2.242 855 HG23 ILE 112 3HG2 ILE 112 -4.359 2.092 -2.808 856 HD11 ILE 112 3HD1 ILE 112 -2.437 4.991 -1.792 857 HD12 ILE 112 1HD1 ILE 112 -3.664 3.981 -2.557 858 HD13 ILE 112 2HD1 ILE 112 -1.955 3.676 -2.861 859 H ILE 113 H ILE 113 -4.638 -1.080 0.175 860 HA ILE 113 HA ILE 113 -2.940 -3.239 -0.884 861 HB ILE 113 HB ILE 113 -5.349 -3.592 0.891 862 HG12 ILE 113 2HG1 ILE 113 -2.451 -3.481 1.747 863 HG13 ILE 113 1HG1 ILE 113 -3.611 -2.182 1.996 864 HG21 ILE 113 1HG2 ILE 113 -3.016 -5.389 0.220 865 HG22 ILE 113 2HG2 ILE 113 -4.668 -5.559 -0.372 866 HG23 ILE 113 3HG2 ILE 113 -4.318 -5.782 1.342 867 HD11 ILE 113 3HD1 ILE 113 -3.293 -3.495 4.006 868 HD12 ILE 113 1HD1 ILE 113 -3.788 -4.953 3.146 869 HD13 ILE 113 2HD1 ILE 113 -4.945 -3.647 3.406 870 H LEU 114 H LEU 114 -3.582 -4.303 -2.632 871 HA LEU 114 HA LEU 114 -6.401 -4.114 -3.456 872 HB2 LEU 114 2HB LEU 114 -5.051 -2.711 -4.929 873 HB3 LEU 114 1HB LEU 114 -3.949 -4.041 -5.222 874 HG LEU 114 HG LEU 114 -5.839 -5.282 -6.304 875 HD11 LEU 114 1HD1 LEU 114 -7.241 -2.627 -6.096 876 HD12 LEU 114 2HD1 LEU 114 -7.690 -4.105 -5.246 877 HD13 LEU 114 3HD1 LEU 114 -7.805 -4.029 -7.004 878 HD21 LEU 114 3HD2 LEU 114 -5.765 -3.997 -8.384 879 HD22 LEU 114 1HD2 LEU 114 -4.174 -4.108 -7.631 880 HD23 LEU 114 2HD2 LEU 114 -5.107 -2.616 -7.506 881 H ARG 115 H ARG 115 -7.277 -6.077 -3.290 882 HA ARG 115 HA ARG 115 -5.619 -8.425 -3.226 883 HB2 ARG 115 2HB ARG 115 -8.539 -7.934 -2.883 884 HB3 ARG 115 1HB ARG 115 -7.994 -9.559 -3.260 885 HG2 ARG 115 2HG ARG 115 -6.427 -9.320 -1.271 886 HG3 ARG 115 1HG ARG 115 -7.385 -7.899 -0.842 887 HD2 ARG 115 2HD ARG 115 -8.175 -9.916 0.317 888 HD3 ARG 115 1HD ARG 115 -9.403 -9.255 -0.763 889 HE ARG 115 HE ARG 115 -7.862 -11.262 -2.086 890 HH11 ARG 115 1HH1 ARG 115 -10.469 -10.880 0.258 891 HH12 ARG 115 2HH1 ARG 115 -11.150 -12.431 -0.074 892 HH21 ARG 115 1HH2 ARG 115 -8.766 -13.261 -2.531 893 HH22 ARG 115 2HH2 ARG 115 -10.172 -13.814 -1.671 894 H THR 116 H THR 116 -4.719 -8.948 -5.101 895 HA THR 116 HA THR 116 -6.042 -8.853 -7.603 896 HB THR 116 HB THR 116 -3.724 -10.665 -6.918 897 HG1 THR 116 1HG THR 116 -2.409 -8.787 -7.401 898 HG21 THR 116 3HG2 THR 116 -3.047 -10.161 -9.226 899 HG22 THR 116 1HG2 THR 116 -4.447 -9.105 -9.409 900 HG23 THR 116 2HG2 THR 116 -4.674 -10.839 -9.183 901 H GLU 117 H GLU 117 -5.327 -11.367 -5.243 902 HA GLU 117 HA GLU 117 -7.212 -13.185 -6.552 903 HB2 GLU 117 2HB GLU 117 -4.992 -13.643 -4.561 904 HB3 GLU 117 1HB GLU 117 -6.180 -14.874 -4.962 905 HG2 GLU 117 2HG GLU 117 -4.363 -13.560 -6.965 906 HG3 GLU 117 1HG GLU 117 -4.023 -15.094 -6.166 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -15.534 -27.940 0.145 2 H2 GLY 1 2HT GLY 1 -14.067 -28.574 0.684 3 H3 GLY 1 3HT GLY 1 -14.176 -27.899 -0.862 4 HA2 GLY 1 1HA GLY 1 -13.070 -26.369 0.603 5 HA3 GLY 1 2HA GLY 1 -14.625 -25.730 0.095 6 H SER 2 H SER 2 -12.677 -26.685 2.732 7 HA SER 2 HA SER 2 -14.929 -26.471 4.592 8 HB2 SER 2 2HB SER 2 -13.214 -27.336 6.253 9 HB3 SER 2 1HB SER 2 -13.676 -28.455 4.971 10 HG SER 2 HG SER 2 -11.683 -28.479 4.356 11 H HIS 3 H HIS 3 -12.418 -24.636 3.303 12 HA HIS 3 HA HIS 3 -12.548 -22.782 5.584 13 HB2 HIS 3 2HB HIS 3 -10.195 -23.275 3.741 14 HB3 HIS 3 1HB HIS 3 -10.268 -22.001 4.947 15 HD1 HIS 3 1HD HIS 3 -9.240 -22.586 7.138 16 HD2 HIS 3 2HD HIS 3 -10.394 -25.963 5.009 17 HE1 HIS 3 1HE HIS 3 -8.436 -24.542 8.484 18 HE2 HIS 3 2HE HIS 3 -9.076 -26.571 7.139 19 H MET 4 H MET 4 -13.771 -21.108 5.014 20 HA MET 4 HA MET 4 -13.890 -20.271 2.231 21 HB2 MET 4 2HB MET 4 -15.355 -19.302 4.688 22 HB3 MET 4 1HB MET 4 -15.540 -18.575 3.099 23 HG2 MET 4 2HG MET 4 -16.293 -20.769 2.237 24 HG3 MET 4 1HG MET 4 -16.222 -21.394 3.882 25 HE1 MET 4 3HE MET 4 -19.109 -18.068 2.496 26 HE2 MET 4 1HE MET 4 -17.924 -18.849 1.451 27 HE3 MET 4 2HE MET 4 -17.390 -17.774 2.745 28 H GLU 5 H GLU 5 -12.233 -19.519 5.071 29 HA GLU 5 HA GLU 5 -11.447 -16.876 4.130 30 HB2 GLU 5 2HB GLU 5 -10.967 -18.379 6.702 31 HB3 GLU 5 1HB GLU 5 -10.091 -16.910 6.311 32 HG2 GLU 5 2HG GLU 5 -11.952 -16.426 7.778 33 HG3 GLU 5 1HG GLU 5 -12.200 -15.675 6.206 34 HA PRO 6 HA PRO 6 -8.072 -18.909 2.002 35 HB2 PRO 6 2HB PRO 6 -7.097 -16.130 1.731 36 HB3 PRO 6 1HB PRO 6 -7.428 -17.333 0.481 37 HG2 PRO 6 2HG PRO 6 -9.052 -15.251 0.850 38 HG3 PRO 6 1HG PRO 6 -9.688 -16.852 0.428 39 HD2 PRO 6 2HD PRO 6 -9.633 -15.471 3.080 40 HD3 PRO 6 1HD PRO 6 -10.909 -16.464 2.342 41 H ALA 7 H ALA 7 -5.866 -19.230 2.265 42 HA ALA 7 HA ALA 7 -4.771 -18.361 4.840 43 HB1 ALA 7 1HB ALA 7 -3.153 -20.177 4.544 44 HB2 ALA 7 2HB ALA 7 -3.836 -20.532 2.957 45 HB3 ALA 7 3HB ALA 7 -4.806 -20.777 4.409 46 H ARG 8 H ARG 8 -4.342 -18.239 1.409 47 HA ARG 8 HA ARG 8 -2.211 -16.258 1.755 48 HB2 ARG 8 2HB ARG 8 -2.298 -18.603 -0.103 49 HB3 ARG 8 1HB ARG 8 -1.492 -17.128 -0.613 50 HG2 ARG 8 2HG ARG 8 -0.099 -17.271 1.447 51 HG3 ARG 8 1HG ARG 8 -0.820 -18.855 1.747 52 HD2 ARG 8 2HD ARG 8 0.070 -19.717 -0.298 53 HD3 ARG 8 1HD ARG 8 0.609 -18.115 -0.799 54 HE ARG 8 HE ARG 8 1.771 -18.875 1.680 55 HH11 ARG 8 1HH1 ARG 8 2.015 -19.379 -1.784 56 HH12 ARG 8 2HH1 ARG 8 3.693 -19.772 -1.752 57 HH21 ARG 8 1HH2 ARG 8 4.007 -19.406 1.741 58 HH22 ARG 8 2HH2 ARG 8 4.844 -19.769 0.274 59 H VAL 9 H VAL 9 -2.538 -14.418 0.710 60 HA VAL 9 HA VAL 9 -4.529 -14.360 -1.438 61 HB VAL 9 HB VAL 9 -5.332 -12.139 -0.584 62 HG11 VAL 9 1HG1 VAL 9 -5.755 -14.482 1.265 63 HG12 VAL 9 2HG1 VAL 9 -6.650 -14.151 -0.219 64 HG13 VAL 9 3HG1 VAL 9 -6.789 -13.057 1.158 65 HG21 VAL 9 3HG2 VAL 9 -4.928 -11.550 1.752 66 HG22 VAL 9 1HG2 VAL 9 -3.416 -11.605 0.845 67 HG23 VAL 9 2HG2 VAL 9 -3.847 -12.933 1.922 68 H ARG 10 H ARG 10 -4.131 -12.871 -3.058 69 HA ARG 10 HA ARG 10 -1.441 -11.741 -2.998 70 HB2 ARG 10 2HB ARG 10 -1.999 -13.152 -4.938 71 HB3 ARG 10 1HB ARG 10 -3.335 -12.072 -5.327 72 HG2 ARG 10 2HG ARG 10 -1.790 -10.247 -5.707 73 HG3 ARG 10 1HG ARG 10 -0.437 -11.276 -5.252 74 HD2 ARG 10 2HD ARG 10 -1.029 -12.770 -7.151 75 HD3 ARG 10 1HD ARG 10 -2.248 -11.589 -7.635 76 HE ARG 10 HE ARG 10 0.459 -10.581 -7.318 77 HH11 ARG 10 1HH1 ARG 10 -2.050 -11.650 -9.536 78 HH12 ARG 10 2HH1 ARG 10 -1.236 -11.018 -10.931 79 HH21 ARG 10 1HH2 ARG 10 1.496 -9.756 -9.116 80 HH22 ARG 10 2HH2 ARG 10 0.800 -9.922 -10.697 81 H CYS 11 H CYS 11 -1.263 -9.738 -2.412 82 HA CYS 11 HA CYS 11 -3.410 -7.882 -3.140 83 HB2 CYS 11 2HB CYS 11 -1.872 -7.755 -0.552 84 HB3 CYS 11 1HB CYS 11 -3.301 -6.837 -1.009 85 HG CYS 11 HG CYS 11 -3.059 -10.012 0.102 86 H SER 12 H SER 12 -2.719 -6.175 -4.195 87 HA SER 12 HA SER 12 0.133 -5.593 -4.230 88 HB2 SER 12 2HB SER 12 -2.095 -4.437 -5.930 89 HB3 SER 12 1HB SER 12 -0.361 -4.253 -6.205 90 HG SER 12 HG SER 12 -0.693 -6.816 -6.084 91 H HIS 13 H HIS 13 0.889 -3.439 -3.729 92 HA HIS 13 HA HIS 13 -1.095 -1.841 -2.291 93 HB2 HIS 13 2HB HIS 13 0.173 -1.670 -0.297 94 HB3 HIS 13 1HB HIS 13 0.060 -3.382 -0.683 95 HD1 HIS 13 1HD HIS 13 2.469 -0.715 0.014 96 HD2 HIS 13 2HD HIS 13 2.542 -4.453 -1.775 97 HE1 HIS 13 1HE HIS 13 4.887 -1.369 -0.062 98 HE2 HIS 13 2HE HIS 13 4.903 -3.694 -1.009 99 H LEU 14 H LEU 14 -0.853 0.255 -2.373 100 HA LEU 14 HA LEU 14 1.542 1.356 -3.663 101 HB2 LEU 14 2HB LEU 14 -0.945 1.803 -4.412 102 HB3 LEU 14 1HB LEU 14 -0.973 2.891 -3.043 103 HG LEU 14 HG LEU 14 0.985 3.124 -5.331 104 HD11 LEU 14 1HD1 LEU 14 -1.590 4.613 -4.871 105 HD12 LEU 14 2HD1 LEU 14 -1.285 3.427 -6.140 106 HD13 LEU 14 3HD1 LEU 14 -0.406 4.956 -6.131 107 HD21 LEU 14 3HD2 LEU 14 1.349 5.380 -4.465 108 HD22 LEU 14 1HD2 LEU 14 1.737 4.164 -3.248 109 HD23 LEU 14 2HD2 LEU 14 0.222 5.061 -3.148 110 H LEU 15 H LEU 15 3.020 2.167 -2.280 111 HA LEU 15 HA LEU 15 2.082 2.942 0.400 112 HB2 LEU 15 2HB LEU 15 3.485 1.075 0.661 113 HB3 LEU 15 1HB LEU 15 4.647 1.678 -0.500 114 HG LEU 15 HG LEU 15 5.443 3.347 1.070 115 HD11 LEU 15 1HD1 LEU 15 3.298 2.328 2.912 116 HD12 LEU 15 2HD1 LEU 15 3.385 3.928 2.172 117 HD13 LEU 15 3HD1 LEU 15 4.589 3.437 3.365 118 HD21 LEU 15 3HD2 LEU 15 6.223 1.853 2.925 119 HD22 LEU 15 1HD2 LEU 15 6.535 1.243 1.303 120 HD23 LEU 15 2HD2 LEU 15 5.200 0.589 2.247 121 H VAL 16 H VAL 16 2.025 4.994 0.741 122 HA VAL 16 HA VAL 16 4.144 6.714 -0.363 123 HB VAL 16 HB VAL 16 1.355 7.507 0.546 124 HG11 VAL 16 1HG1 VAL 16 3.545 9.168 -0.696 125 HG12 VAL 16 2HG1 VAL 16 2.996 9.256 0.977 126 HG13 VAL 16 3HG1 VAL 16 1.911 9.724 -0.332 127 HG21 VAL 16 3HG2 VAL 16 0.923 7.997 -1.800 128 HG22 VAL 16 1HG2 VAL 16 1.338 6.299 -1.580 129 HG23 VAL 16 2HG2 VAL 16 2.534 7.422 -2.230 130 H LYS 17 H LYS 17 5.634 7.020 1.142 131 HA LYS 17 HA LYS 17 5.015 6.715 3.940 132 HB2 LYS 17 2HB LYS 17 7.613 7.525 2.630 133 HB3 LYS 17 1HB LYS 17 7.406 7.040 4.307 134 HG2 LYS 17 2HG LYS 17 6.661 4.814 3.534 135 HG3 LYS 17 1HG LYS 17 6.996 5.311 1.876 136 HD2 LYS 17 2HD LYS 17 9.361 5.732 2.551 137 HD3 LYS 17 1HD LYS 17 8.980 5.063 4.140 138 HE2 LYS 17 2HE LYS 17 8.260 2.962 3.003 139 HE3 LYS 17 1HE LYS 17 8.836 3.640 1.483 140 HZ1 LYS 17 3HZ LYS 17 10.537 2.261 2.342 141 HZ2 LYS 17 1HZ LYS 17 10.441 2.959 3.875 142 HZ3 LYS 17 2HZ LYS 17 11.060 3.848 2.586 143 H HIS 18 H HIS 18 5.828 8.337 5.546 144 HA HIS 18 HA HIS 18 5.753 11.089 4.673 145 HB2 HIS 18 2HB HIS 18 3.912 11.708 6.258 146 HB3 HIS 18 1HB HIS 18 3.380 10.747 4.890 147 HD1 HIS 18 1HD HIS 18 3.386 10.834 8.572 148 HD2 HIS 18 2HD HIS 18 2.700 8.030 5.580 149 HE1 HIS 18 1HE HIS 18 2.219 8.917 9.692 150 HE2 HIS 18 2HE HIS 18 2.037 7.148 7.930 151 H SER 19 H SER 19 5.959 12.583 6.622 152 HA SER 19 HA SER 19 8.300 12.321 7.879 153 HB2 SER 19 2HB SER 19 7.170 13.828 9.701 154 HB3 SER 19 1HB SER 19 7.335 14.406 8.041 155 HG SER 19 HG SER 19 5.167 14.485 9.231 156 H GLN 20 H GLN 20 5.231 11.272 9.375 157 HA GLN 20 HA GLN 20 6.619 10.127 11.616 158 HB2 GLN 20 2HB GLN 20 3.734 9.705 10.804 159 HB3 GLN 20 1HB GLN 20 4.442 9.315 12.361 160 HG2 GLN 20 2HG GLN 20 3.469 11.281 12.907 161 HG3 GLN 20 1HG GLN 20 5.007 11.909 12.321 162 HE21 GLN 20 1HE2 GLN 20 2.408 13.187 12.443 163 HE22 GLN 20 2HE2 GLN 20 2.035 13.680 10.829 164 H SER 21 H SER 21 8.028 8.631 10.812 165 HA SER 21 HA SER 21 6.833 6.079 10.041 166 HB2 SER 21 2HB SER 21 9.082 7.444 8.539 167 HB3 SER 21 1HB SER 21 8.630 5.755 8.324 168 HG SER 21 HG SER 21 7.167 8.086 7.696 169 H ARG 22 H ARG 22 8.494 4.284 10.237 170 HA ARG 22 HA ARG 22 10.049 4.737 12.651 171 HB2 ARG 22 2HB ARG 22 10.394 2.335 12.708 172 HB3 ARG 22 1HB ARG 22 8.696 2.669 12.417 173 HG2 ARG 22 2HG ARG 22 9.024 2.204 10.034 174 HG3 ARG 22 1HG ARG 22 10.722 1.845 10.347 175 HD2 ARG 22 2HD ARG 22 8.388 0.387 11.583 176 HD3 ARG 22 1HD ARG 22 9.297 -0.176 10.184 177 HE ARG 22 HE ARG 22 11.190 0.203 12.103 178 HH11 ARG 22 1HH1 ARG 22 8.161 -1.593 12.018 179 HH12 ARG 22 2HH1 ARG 22 8.750 -2.866 13.031 180 HH21 ARG 22 1HH2 ARG 22 11.952 -1.489 13.473 181 HH22 ARG 22 2HH2 ARG 22 10.899 -2.808 13.862 182 H ARG 23 H ARG 23 10.516 4.407 9.265 183 HA ARG 23 HA ARG 23 13.330 5.054 9.590 184 HB2 ARG 23 2HB ARG 23 13.311 2.613 9.364 185 HB3 ARG 23 1HB ARG 23 12.356 2.741 7.897 186 HG2 ARG 23 2HG ARG 23 14.665 2.293 7.353 187 HG3 ARG 23 1HG ARG 23 14.220 3.910 6.802 188 HD2 ARG 23 2HD ARG 23 15.256 4.846 8.844 189 HD3 ARG 23 1HD ARG 23 15.763 3.221 9.301 190 HE ARG 23 HE ARG 23 16.701 3.719 6.728 191 HH11 ARG 23 1HH1 ARG 23 17.204 4.893 9.989 192 HH12 ARG 23 2HH1 ARG 23 18.840 5.373 9.705 193 HH21 ARG 23 1HH2 ARG 23 18.894 4.369 6.339 194 HH22 ARG 23 2HH2 ARG 23 19.805 5.071 7.627 195 HA PRO 24 HA PRO 24 11.389 7.748 6.469 196 HB2 PRO 24 2HB PRO 24 13.526 9.606 7.196 197 HB3 PRO 24 1HB PRO 24 11.780 9.794 7.374 198 HG2 PRO 24 2HG PRO 24 13.422 9.477 9.496 199 HG3 PRO 24 1HG PRO 24 11.760 8.861 9.478 200 HD2 PRO 24 2HD PRO 24 14.329 7.390 9.005 201 HD3 PRO 24 1HD PRO 24 12.915 6.912 9.971 202 H SER 25 H SER 25 12.915 5.758 5.415 203 HA SER 25 HA SER 25 14.647 7.215 3.545 204 HB2 SER 25 2HB SER 25 15.258 4.502 4.743 205 HB3 SER 25 1HB SER 25 16.243 5.355 3.557 206 HG SER 25 HG SER 25 16.855 6.790 5.053 207 H SER 26 H SER 26 14.683 6.388 1.412 208 HA SER 26 HA SER 26 13.348 3.999 0.641 209 HB2 SER 26 2HB SER 26 11.475 4.999 -0.583 210 HB3 SER 26 1HB SER 26 11.359 5.403 1.129 211 H TRP 27 H TRP 27 12.899 4.288 -1.949 212 HA TRP 27 HA TRP 27 15.442 5.255 -2.984 213 HB2 TRP 27 2HB TRP 27 14.858 4.044 -5.050 214 HB3 TRP 27 1HB TRP 27 14.794 2.998 -3.639 215 HD1 TRP 27 HD TRP 27 12.332 2.193 -2.832 216 HE1 TRP 27 1HE TRP 27 10.134 1.939 -4.148 217 HE3 TRP 27 3HE TRP 27 13.489 5.041 -6.916 218 HZ2 TRP 27 2HZ TRP 27 9.040 2.825 -6.584 219 HZ3 TRP 27 3HZ TRP 27 11.809 5.282 -8.696 220 HH2 TRP 27 HH TRP 27 9.631 4.194 -8.530 221 H ARG 28 H ARG 28 12.209 6.195 -2.755 222 HA ARG 28 HA ARG 28 12.227 7.963 -5.046 223 HB2 ARG 28 2HB ARG 28 10.267 7.409 -2.829 224 HB3 ARG 28 1HB ARG 28 10.038 8.748 -3.942 225 HG2 ARG 28 2HG ARG 28 10.434 5.959 -4.955 226 HG3 ARG 28 1HG ARG 28 8.850 6.521 -4.417 227 HD2 ARG 28 2HD ARG 28 10.543 7.841 -6.536 228 HD3 ARG 28 1HD ARG 28 9.166 6.783 -6.848 229 HE ARG 28 HE ARG 28 8.364 8.871 -5.142 230 HH11 ARG 28 1HH1 ARG 28 9.262 8.357 -8.501 231 HH12 ARG 28 2HH1 ARG 28 8.322 9.690 -9.081 232 HH21 ARG 28 1HH2 ARG 28 7.144 10.633 -5.910 233 HH22 ARG 28 2HH2 ARG 28 7.106 10.988 -7.602 234 H GLN 29 H GLN 29 12.649 8.090 -1.577 235 HA GLN 29 HA GLN 29 13.420 10.920 -1.807 236 HB2 GLN 29 2HB GLN 29 11.742 9.522 0.236 237 HB3 GLN 29 1HB GLN 29 12.669 10.943 0.682 238 HG2 GLN 29 2HG GLN 29 11.450 12.319 -0.805 239 HG3 GLN 29 1HG GLN 29 10.709 10.926 -1.593 240 HE21 GLN 29 1HE2 GLN 29 10.133 9.477 0.777 241 HE22 GLN 29 2HE2 GLN 29 8.838 10.291 1.578 242 H GLU 30 H GLU 30 15.388 11.393 -1.051 243 HA GLU 30 HA GLU 30 17.085 9.417 0.118 244 HB2 GLU 30 2HB GLU 30 18.664 11.314 0.414 245 HB3 GLU 30 1HB GLU 30 18.024 11.226 -1.220 246 HG2 GLU 30 2HG GLU 30 16.357 12.973 -0.559 247 HG3 GLU 30 1HG GLU 30 17.241 13.142 0.955 248 H LYS 31 H LYS 31 14.847 11.713 1.211 249 HA LYS 31 HA LYS 31 14.747 10.626 3.824 250 HB2 LYS 31 2HB LYS 31 15.168 12.690 5.066 251 HB3 LYS 31 1HB LYS 31 16.594 12.264 4.137 252 HG2 LYS 31 2HG LYS 31 16.043 13.951 2.479 253 HG3 LYS 31 1HG LYS 31 14.563 14.348 3.355 254 HD2 LYS 31 2HD LYS 31 15.961 14.949 5.321 255 HD3 LYS 31 1HD LYS 31 17.395 14.683 4.330 256 HE2 LYS 31 2HE LYS 31 15.210 16.680 3.745 257 HE3 LYS 31 1HE LYS 31 16.769 17.062 4.470 258 HZ1 LYS 31 3HZ LYS 31 16.740 17.529 2.111 259 HZ2 LYS 31 1HZ LYS 31 16.357 15.924 1.756 260 HZ3 LYS 31 2HZ LYS 31 17.854 16.312 2.448 261 H ILE 32 H ILE 32 12.675 10.880 4.586 262 HA ILE 32 HA ILE 32 10.732 11.702 2.702 263 HB ILE 32 HB ILE 32 10.297 11.211 5.654 264 HG12 ILE 32 2HG1 ILE 32 10.106 9.310 3.303 265 HG13 ILE 32 1HG1 ILE 32 11.354 9.279 4.544 266 HG21 ILE 32 1HG2 ILE 32 8.397 11.181 3.306 267 HG22 ILE 32 2HG2 ILE 32 8.467 12.407 4.571 268 HG23 ILE 32 3HG2 ILE 32 7.982 10.758 4.967 269 HD11 ILE 32 3HD1 ILE 32 9.689 7.567 4.945 270 HD12 ILE 32 1HD1 ILE 32 8.416 8.787 4.965 271 HD13 ILE 32 2HD1 ILE 32 9.646 8.779 6.227 272 H THR 33 H THR 33 10.410 13.718 2.145 273 HA THR 33 HA THR 33 10.726 15.812 4.165 274 HB THR 33 HB THR 33 10.463 16.259 1.191 275 HG1 THR 33 1HG THR 33 12.350 14.830 2.312 276 HG21 THR 33 3HG2 THR 33 11.781 18.277 1.706 277 HG22 THR 33 1HG2 THR 33 11.826 17.812 3.407 278 HG23 THR 33 2HG2 THR 33 10.291 18.234 2.649 279 H ARG 34 H ARG 34 8.327 14.074 2.555 280 HA ARG 34 HA ARG 34 6.383 16.236 2.636 281 HB2 ARG 34 2HB ARG 34 4.900 14.819 1.470 282 HB3 ARG 34 1HB ARG 34 6.477 14.472 0.778 283 HG2 ARG 34 2HG ARG 34 6.642 12.461 2.152 284 HG3 ARG 34 1HG ARG 34 5.066 12.815 2.860 285 HD2 ARG 34 2HD ARG 34 4.610 11.244 1.195 286 HD3 ARG 34 1HD ARG 34 4.189 12.789 0.463 287 HE ARG 34 HE ARG 34 6.197 12.674 -0.831 288 HH11 ARG 34 1HH1 ARG 34 5.494 9.770 0.998 289 HH12 ARG 34 2HH1 ARG 34 6.408 8.727 -0.049 290 HH21 ARG 34 1HH2 ARG 34 7.438 11.289 -2.205 291 HH22 ARG 34 2HH2 ARG 34 7.529 9.592 -1.841 292 H THR 35 H THR 35 4.644 16.309 4.029 293 HA THR 35 HA THR 35 5.023 14.796 6.487 294 HB THR 35 HB THR 35 4.647 17.263 6.582 295 HG1 THR 35 1HG THR 35 3.754 16.952 8.456 296 HG21 THR 35 3HG2 THR 35 2.369 18.128 6.248 297 HG22 THR 35 1HG2 THR 35 1.867 16.548 5.646 298 HG23 THR 35 2HG2 THR 35 3.058 17.495 4.753 299 H LYS 36 H LYS 36 2.752 14.289 7.609 300 HA LYS 36 HA LYS 36 1.676 12.086 6.226 301 HB2 LYS 36 2HB LYS 36 1.658 12.255 8.671 302 HB3 LYS 36 1HB LYS 36 0.523 13.593 8.577 303 HG2 LYS 36 2HG LYS 36 -1.127 12.082 7.536 304 HG3 LYS 36 1HG LYS 36 0.010 10.748 7.737 305 HD2 LYS 36 2HD LYS 36 -0.036 11.034 10.144 306 HD3 LYS 36 1HD LYS 36 -1.095 12.435 9.978 307 HE2 LYS 36 2HE LYS 36 -2.791 10.978 8.922 308 HE3 LYS 36 1HE LYS 36 -1.740 9.593 9.208 309 HZ1 LYS 36 3HZ LYS 36 -3.438 9.807 10.909 310 HZ2 LYS 36 1HZ LYS 36 -2.883 11.350 11.305 311 HZ3 LYS 36 2HZ LYS 36 -1.901 10.001 11.576 312 H GLU 37 H GLU 37 0.545 15.386 6.613 313 HA GLU 37 HA GLU 37 -2.017 15.130 5.566 314 HB2 GLU 37 2HB GLU 37 -0.122 17.467 5.331 315 HB3 GLU 37 1HB GLU 37 -1.858 17.533 5.063 316 HG2 GLU 37 2HG GLU 37 -0.515 16.830 7.661 317 HG3 GLU 37 1HG GLU 37 -1.224 18.393 7.256 318 H GLU 38 H GLU 38 0.976 16.060 3.897 319 HA GLU 38 HA GLU 38 -0.059 16.221 1.304 320 HB2 GLU 38 2HB GLU 38 2.739 15.484 2.168 321 HB3 GLU 38 1HB GLU 38 2.270 16.034 0.566 322 HG2 GLU 38 2HG GLU 38 1.699 18.194 1.403 323 HG3 GLU 38 1HG GLU 38 1.934 17.664 3.067 324 H ALA 39 H ALA 39 1.304 13.519 3.101 325 HA ALA 39 HA ALA 39 1.429 11.663 1.004 326 HB1 ALA 39 1HB ALA 39 1.483 9.951 2.753 327 HB2 ALA 39 2HB ALA 39 0.980 11.151 3.944 328 HB3 ALA 39 3HB ALA 39 2.542 11.306 3.140 329 H LEU 40 H LEU 40 -1.170 12.389 3.317 330 HA LEU 40 HA LEU 40 -2.935 10.403 2.345 331 HB2 LEU 40 2HB LEU 40 -3.150 11.468 4.566 332 HB3 LEU 40 1HB LEU 40 -3.603 12.969 3.786 333 HG LEU 40 HG LEU 40 -5.632 11.883 2.890 334 HD11 LEU 40 1HD1 LEU 40 -4.718 9.516 4.516 335 HD12 LEU 40 2HD1 LEU 40 -4.855 9.596 2.758 336 HD13 LEU 40 3HD1 LEU 40 -6.302 9.687 3.761 337 HD21 LEU 40 3HD2 LEU 40 -6.829 11.691 5.024 338 HD22 LEU 40 1HD2 LEU 40 -5.764 13.095 4.991 339 HD23 LEU 40 2HD2 LEU 40 -5.286 11.648 5.877 340 H GLU 41 H GLU 41 -2.335 13.757 1.453 341 HA GLU 41 HA GLU 41 -4.518 14.164 -0.259 342 HB2 GLU 41 2HB GLU 41 -1.697 15.236 -0.491 343 HB3 GLU 41 1HB GLU 41 -3.066 15.828 -1.414 344 HG2 GLU 41 2HG GLU 41 -4.154 16.443 0.742 345 HG3 GLU 41 1HG GLU 41 -2.650 16.009 1.556 346 H LEU 42 H LEU 42 -1.337 12.763 -0.820 347 HA LEU 42 HA LEU 42 -1.693 12.261 -3.577 348 HB2 LEU 42 2HB LEU 42 0.098 10.882 -1.576 349 HB3 LEU 42 1HB LEU 42 0.208 10.702 -3.315 350 HG LEU 42 HG LEU 42 0.703 13.247 -1.768 351 HD11 LEU 42 1HD1 LEU 42 3.024 12.940 -2.479 352 HD12 LEU 42 2HD1 LEU 42 2.592 11.390 -3.200 353 HD13 LEU 42 3HD1 LEU 42 2.469 11.617 -1.455 354 HD21 LEU 42 3HD2 LEU 42 -0.237 13.745 -3.947 355 HD22 LEU 42 1HD2 LEU 42 0.921 12.662 -4.721 356 HD23 LEU 42 2HD2 LEU 42 1.483 14.134 -3.931 357 H ILE 43 H ILE 43 -2.120 10.248 -0.687 358 HA ILE 43 HA ILE 43 -2.820 7.841 -1.860 359 HB ILE 43 HB ILE 43 -3.857 9.078 0.698 360 HG12 ILE 43 2HG1 ILE 43 -1.440 8.670 0.652 361 HG13 ILE 43 1HG1 ILE 43 -2.243 7.597 1.792 362 HG21 ILE 43 1HG2 ILE 43 -4.145 6.220 -0.223 363 HG22 ILE 43 2HG2 ILE 43 -5.447 7.396 -0.048 364 HG23 ILE 43 3HG2 ILE 43 -4.569 6.834 1.375 365 HD11 ILE 43 3HD1 ILE 43 -0.541 6.403 0.570 366 HD12 ILE 43 1HD1 ILE 43 -1.272 6.872 -0.965 367 HD13 ILE 43 2HD1 ILE 43 -2.134 5.791 0.128 368 H ASN 44 H ASN 44 -5.092 10.372 -0.771 369 HA ASN 44 HA ASN 44 -7.387 9.170 -1.855 370 HB2 ASN 44 2HB ASN 44 -6.771 12.041 -1.165 371 HB3 ASN 44 1HB ASN 44 -8.343 11.536 -1.774 372 HD21 ASN 44 1HD2 ASN 44 -7.610 12.686 0.794 373 HD22 ASN 44 2HD2 ASN 44 -8.153 11.558 1.988 374 H GLY 45 H GLY 45 -5.092 11.467 -3.213 375 HA2 GLY 45 2HA GLY 45 -6.431 12.090 -5.576 376 HA3 GLY 45 1HA GLY 45 -4.685 12.097 -5.373 377 H TYR 46 H TYR 46 -4.044 9.507 -4.989 378 HA TYR 46 HA TYR 46 -4.106 8.457 -7.594 379 HB2 TYR 46 2HB TYR 46 -3.522 6.967 -5.023 380 HB3 TYR 46 1HB TYR 46 -3.107 6.423 -6.643 381 HD1 TYR 46 2HD TYR 46 -2.068 8.995 -7.793 382 HD2 TYR 46 1HD TYR 46 -1.439 7.180 -3.996 383 HE1 TYR 46 2HE TYR 46 0.090 10.162 -7.595 384 HE2 TYR 46 1HE TYR 46 0.716 8.342 -3.793 385 HH TYR 46 HH TYR 46 2.383 9.377 -5.169 386 H ILE 47 H ILE 47 -5.950 7.558 -4.695 387 HA ILE 47 HA ILE 47 -7.371 5.410 -5.786 388 HB ILE 47 HB ILE 47 -8.288 7.380 -3.670 389 HG12 ILE 47 2HG1 ILE 47 -7.034 4.636 -3.393 390 HG13 ILE 47 1HG1 ILE 47 -6.193 6.161 -3.138 391 HG21 ILE 47 1HG2 ILE 47 -9.869 5.629 -2.978 392 HG22 ILE 47 2HG2 ILE 47 -9.374 4.646 -4.356 393 HG23 ILE 47 3HG2 ILE 47 -10.189 6.187 -4.621 394 HD11 ILE 47 3HD1 ILE 47 -8.528 5.143 -1.534 395 HD12 ILE 47 1HD1 ILE 47 -7.679 6.666 -1.269 396 HD13 ILE 47 2HD1 ILE 47 -6.836 5.134 -1.033 397 H GLN 48 H GLN 48 -8.176 8.868 -5.711 398 HA GLN 48 HA GLN 48 -10.666 8.723 -6.975 399 HB2 GLN 48 2HB GLN 48 -8.585 10.907 -6.985 400 HB3 GLN 48 1HB GLN 48 -10.179 11.096 -7.696 401 HG2 GLN 48 2HG GLN 48 -9.659 10.435 -4.807 402 HG3 GLN 48 1HG GLN 48 -9.967 12.052 -5.431 403 HE21 GLN 48 1HE2 GLN 48 -11.971 11.215 -7.350 404 HE22 GLN 48 2HE2 GLN 48 -13.372 10.794 -6.436 405 H LYS 49 H LYS 49 -7.416 9.032 -8.358 406 HA LYS 49 HA LYS 49 -8.249 9.301 -11.040 407 HB2 LYS 49 2HB LYS 49 -5.642 8.182 -10.008 408 HB3 LYS 49 1HB LYS 49 -5.943 8.780 -11.633 409 HG2 LYS 49 2HG LYS 49 -6.407 11.019 -10.662 410 HG3 LYS 49 1HG LYS 49 -5.937 10.383 -9.086 411 HD2 LYS 49 2HD LYS 49 -4.023 11.468 -9.943 412 HD3 LYS 49 1HD LYS 49 -3.734 9.742 -10.158 413 HE2 LYS 49 2HE LYS 49 -3.080 10.995 -12.146 414 HE3 LYS 49 1HE LYS 49 -4.421 9.907 -12.492 415 HZ1 LYS 49 3HZ LYS 49 -5.945 11.726 -12.453 416 HZ2 LYS 49 1HZ LYS 49 -4.655 12.157 -13.463 417 HZ3 LYS 49 2HZ LYS 49 -4.748 12.797 -11.905 418 H ILE 50 H ILE 50 -7.473 6.486 -9.071 419 HA ILE 50 HA ILE 50 -7.636 4.610 -11.198 420 HB ILE 50 HB ILE 50 -8.016 4.157 -8.227 421 HG12 ILE 50 2HG1 ILE 50 -5.558 3.762 -9.945 422 HG13 ILE 50 1HG1 ILE 50 -5.825 5.150 -8.896 423 HG21 ILE 50 1HG2 ILE 50 -7.442 1.810 -8.745 424 HG22 ILE 50 2HG2 ILE 50 -7.463 2.203 -10.463 425 HG23 ILE 50 3HG2 ILE 50 -8.945 2.319 -9.515 426 HD11 ILE 50 3HD1 ILE 50 -4.358 3.505 -7.871 427 HD12 ILE 50 1HD1 ILE 50 -5.627 2.288 -8.007 428 HD13 ILE 50 2HD1 ILE 50 -5.857 3.687 -6.957 429 H LYS 51 H LYS 51 -9.971 5.814 -8.825 430 HA LYS 51 HA LYS 51 -12.082 4.100 -9.607 431 HB2 LYS 51 2HB LYS 51 -12.116 6.774 -8.214 432 HB3 LYS 51 1HB LYS 51 -13.556 5.805 -8.477 433 HG2 LYS 51 2HG LYS 51 -11.143 5.007 -6.854 434 HG3 LYS 51 1HG LYS 51 -12.713 5.503 -6.224 435 HD2 LYS 51 2HD LYS 51 -12.160 3.046 -7.899 436 HD3 LYS 51 1HD LYS 51 -12.479 3.074 -6.167 437 HE2 LYS 51 2HE LYS 51 -14.717 3.998 -6.605 438 HE3 LYS 51 1HE LYS 51 -14.395 3.936 -8.337 439 HZ1 LYS 51 3HZ LYS 51 -15.675 2.031 -7.659 440 HZ2 LYS 51 1HZ LYS 51 -14.521 1.611 -6.497 441 HZ3 LYS 51 2HZ LYS 51 -14.140 1.523 -8.138 442 H SER 52 H SER 52 -11.178 7.375 -10.615 443 HA SER 52 HA SER 52 -13.348 7.748 -12.389 444 HB2 SER 52 2HB SER 52 -10.572 8.953 -12.477 445 HB3 SER 52 1HB SER 52 -11.978 9.553 -13.354 446 HG SER 52 HG SER 52 -11.219 10.216 -10.947 447 H GLY 53 H GLY 53 -10.350 6.031 -12.624 448 HA2 GLY 53 2HA GLY 53 -9.921 4.338 -14.184 449 HA3 GLY 53 1HA GLY 53 -11.159 5.018 -15.232 450 H GLU 54 H GLU 54 -8.661 6.957 -13.766 451 HA GLU 54 HA GLU 54 -7.778 7.798 -16.387 452 HB2 GLU 54 2HB GLU 54 -6.743 8.610 -13.665 453 HB3 GLU 54 1HB GLU 54 -6.358 9.388 -15.190 454 HG2 GLU 54 2HG GLU 54 -8.772 9.954 -15.416 455 HG3 GLU 54 1HG GLU 54 -9.010 9.331 -13.783 456 H GLU 55 H GLU 55 -6.004 6.758 -13.496 457 HA GLU 55 HA GLU 55 -3.954 5.641 -15.272 458 HB2 GLU 55 2HB GLU 55 -3.724 6.508 -12.392 459 HB3 GLU 55 1HB GLU 55 -2.414 5.877 -13.378 460 HG2 GLU 55 2HG GLU 55 -3.908 8.453 -13.790 461 HG3 GLU 55 1HG GLU 55 -2.244 8.268 -13.237 462 H ASP 56 H ASP 56 -2.668 3.852 -14.092 463 HA ASP 56 HA ASP 56 -4.630 1.871 -13.166 464 HB2 ASP 56 2HB ASP 56 -3.522 1.245 -15.235 465 HB3 ASP 56 1HB ASP 56 -1.943 1.513 -14.505 466 H PHE 57 H PHE 57 -4.266 0.688 -11.319 467 HA PHE 57 HA PHE 57 -2.889 1.931 -9.223 468 HB2 PHE 57 2HB PHE 57 -4.791 0.417 -8.869 469 HB3 PHE 57 1HB PHE 57 -3.816 -0.942 -9.413 470 HD1 PHE 57 1HD PHE 57 -4.331 1.494 -6.709 471 HD2 PHE 57 2HD PHE 57 -2.204 -1.970 -7.966 472 HE1 PHE 57 1HE PHE 57 -3.572 1.130 -4.406 473 HE2 PHE 57 2HE PHE 57 -1.442 -2.337 -5.658 474 HZ PHE 57 HZ PHE 57 -2.127 -0.788 -3.876 475 H GLU 58 H GLU 58 -1.997 -0.917 -11.153 476 HA GLU 58 HA GLU 58 0.370 -1.536 -9.743 477 HB2 GLU 58 2HB GLU 58 -0.451 -2.131 -12.582 478 HB3 GLU 58 1HB GLU 58 0.947 -2.840 -11.795 479 HG2 GLU 58 2HG GLU 58 -0.414 -4.020 -10.253 480 HG3 GLU 58 1HG GLU 58 -1.851 -3.121 -10.740 481 H SER 59 H SER 59 -0.321 0.592 -12.432 482 HA SER 59 HA SER 59 2.411 1.145 -13.032 483 HB2 SER 59 2HB SER 59 0.600 1.441 -14.688 484 HB3 SER 59 1HB SER 59 -0.065 2.749 -13.712 485 HG SER 59 HG SER 59 1.169 3.853 -15.039 486 H LEU 60 H LEU 60 -0.075 2.726 -11.062 487 HA LEU 60 HA LEU 60 1.487 4.996 -10.391 488 HB2 LEU 60 2HB LEU 60 -0.851 3.742 -8.954 489 HB3 LEU 60 1HB LEU 60 -0.149 5.288 -8.532 490 HG LEU 60 HG LEU 60 -1.522 4.634 -11.140 491 HD11 LEU 60 1HD1 LEU 60 -3.252 6.164 -10.337 492 HD12 LEU 60 2HD1 LEU 60 -2.393 6.328 -8.807 493 HD13 LEU 60 3HD1 LEU 60 -3.072 4.768 -9.275 494 HD21 LEU 60 3HD2 LEU 60 -1.339 7.048 -11.571 495 HD22 LEU 60 1HD2 LEU 60 0.241 6.271 -11.468 496 HD23 LEU 60 2HD2 LEU 60 -0.365 7.222 -10.112 497 H ALA 61 H ALA 61 0.930 1.896 -8.780 498 HA ALA 61 HA ALA 61 2.430 2.532 -6.452 499 HB1 ALA 61 1HB ALA 61 2.229 0.181 -5.895 500 HB2 ALA 61 2HB ALA 61 1.704 -0.184 -7.538 501 HB3 ALA 61 3HB ALA 61 0.689 0.802 -6.487 502 H SER 62 H SER 62 3.379 1.632 -9.591 503 HA SER 62 HA SER 62 5.917 0.534 -8.731 504 HB2 SER 62 2HB SER 62 4.719 -0.365 -10.728 505 HB3 SER 62 1HB SER 62 4.962 1.184 -11.531 506 HG SER 62 HG SER 62 6.948 -0.650 -10.662 507 H GLN 63 H GLN 63 4.598 3.594 -9.472 508 HA GLN 63 HA GLN 63 7.275 4.699 -10.008 509 HB2 GLN 63 2HB GLN 63 4.565 5.778 -10.750 510 HB3 GLN 63 1HB GLN 63 6.079 6.629 -11.006 511 HG2 GLN 63 2HG GLN 63 6.821 4.944 -12.542 512 HG3 GLN 63 1HG GLN 63 5.394 3.962 -12.205 513 HE21 GLN 63 1HE2 GLN 63 3.417 4.585 -13.016 514 HE22 GLN 63 2HE2 GLN 63 3.259 5.761 -14.276 515 H PHE 64 H PHE 64 4.222 5.468 -8.352 516 HA PHE 64 HA PHE 64 5.537 7.696 -7.009 517 HB2 PHE 64 2HB PHE 64 2.631 6.892 -7.030 518 HB3 PHE 64 1HB PHE 64 3.293 8.379 -6.359 519 HD1 PHE 64 1HD PHE 64 4.243 10.088 -7.857 520 HD2 PHE 64 2HD PHE 64 2.257 6.645 -9.356 521 HE1 PHE 64 1HE PHE 64 4.002 11.185 -10.046 522 HE2 PHE 64 2HE PHE 64 2.014 7.731 -11.548 523 HZ PHE 64 HZ PHE 64 2.887 10.002 -11.894 524 H SER 65 H SER 65 5.570 4.617 -6.293 525 HA SER 65 HA SER 65 4.829 4.984 -3.488 526 HB2 SER 65 2HB SER 65 3.909 2.991 -4.697 527 HB3 SER 65 1HB SER 65 5.560 2.399 -4.879 528 HG SER 65 HG SER 65 4.802 3.141 -2.321 529 H ASP 66 H ASP 66 6.306 4.869 -1.877 530 HA ASP 66 HA ASP 66 9.097 5.118 -2.678 531 HB2 ASP 66 2HB ASP 66 8.110 5.255 0.160 532 HB3 ASP 66 1HB ASP 66 9.503 6.048 -0.557 533 H CYS 67 H CYS 67 7.366 2.544 -2.411 534 HA CYS 67 HA CYS 67 8.981 1.073 -0.467 535 HB2 CYS 67 2HB CYS 67 6.469 0.888 -0.497 536 HB3 CYS 67 1HB CYS 67 6.615 0.090 -2.051 537 HG CYS 67 HG CYS 67 7.896 -1.100 0.901 538 H SER 68 H SER 68 10.071 -0.848 -1.031 539 HA SER 68 HA SER 68 11.323 -0.820 -3.573 540 HB2 SER 68 2HB SER 68 11.337 -3.006 -1.483 541 HB3 SER 68 1HB SER 68 12.509 -2.785 -2.784 542 HG SER 68 HG SER 68 13.312 -1.023 -1.796 543 H SER 69 H SER 69 8.429 -2.234 -2.395 544 HA SER 69 HA SER 69 8.218 -4.470 -4.095 545 HB2 SER 69 2HB SER 69 5.965 -2.777 -2.999 546 HB3 SER 69 1HB SER 69 5.862 -4.452 -3.540 547 HG SER 69 HG SER 69 7.464 -4.886 -1.840 548 H ALA 70 H ALA 70 8.183 -1.160 -4.772 549 HA ALA 70 HA ALA 70 6.326 -0.939 -6.858 550 HB1 ALA 70 1HB ALA 70 7.579 1.050 -7.517 551 HB2 ALA 70 2HB ALA 70 8.919 0.555 -6.483 552 HB3 ALA 70 3HB ALA 70 7.366 0.987 -5.767 553 H LYS 71 H LYS 71 9.384 -2.494 -6.718 554 HA LYS 71 HA LYS 71 9.979 -2.436 -9.509 555 HB2 LYS 71 2HB LYS 71 10.944 -4.335 -7.368 556 HB3 LYS 71 1HB LYS 71 11.641 -4.167 -8.970 557 HG2 LYS 71 2HG LYS 71 11.603 -2.067 -6.808 558 HG3 LYS 71 1HG LYS 71 12.994 -3.022 -7.321 559 HD2 LYS 71 2HD LYS 71 11.479 -1.025 -9.010 560 HD3 LYS 71 1HD LYS 71 13.065 -0.780 -8.283 561 HE2 LYS 71 2HE LYS 71 12.367 -2.833 -10.385 562 HE3 LYS 71 1HE LYS 71 13.263 -1.340 -10.644 563 HZ1 LYS 71 3HZ LYS 71 14.764 -3.205 -10.464 564 HZ2 LYS 71 1HZ LYS 71 14.138 -3.617 -8.950 565 HZ3 LYS 71 2HZ LYS 71 14.985 -2.174 -9.154 566 H ALA 72 H ALA 72 7.758 -4.115 -7.624 567 HA ALA 72 HA ALA 72 7.339 -6.116 -9.742 568 HB1 ALA 72 1HB ALA 72 6.396 -7.576 -8.005 569 HB2 ALA 72 2HB ALA 72 6.768 -6.357 -6.786 570 HB3 ALA 72 3HB ALA 72 8.075 -7.158 -7.660 571 H ARG 73 H ARG 73 6.319 -3.468 -9.780 572 HA ARG 73 HA ARG 73 4.395 -2.338 -10.265 573 HB2 ARG 73 2HB ARG 73 3.024 -5.004 -9.899 574 HB3 ARG 73 1HB ARG 73 2.285 -3.569 -10.579 575 HG2 ARG 73 2HG ARG 73 3.847 -3.664 -12.460 576 HG3 ARG 73 1HG ARG 73 4.584 -5.112 -11.764 577 HD2 ARG 73 2HD ARG 73 2.396 -6.237 -11.864 578 HD3 ARG 73 1HD ARG 73 1.715 -4.808 -12.632 579 HE ARG 73 HE ARG 73 3.968 -5.819 -14.050 580 HH11 ARG 73 1HH1 ARG 73 0.513 -6.205 -13.521 581 HH12 ARG 73 2HH1 ARG 73 0.240 -7.062 -15.002 582 HH21 ARG 73 1HH2 ARG 73 3.603 -6.955 -16.048 583 HH22 ARG 73 2HH2 ARG 73 2.004 -7.474 -16.450 584 H GLY 74 H GLY 74 5.197 -3.398 -7.370 585 HA2 GLY 74 2HA GLY 74 4.546 -2.509 -5.304 586 HA3 GLY 74 1HA GLY 74 3.034 -1.976 -6.034 587 H ASP 75 H ASP 75 3.597 -5.052 -7.026 588 HA ASP 75 HA ASP 75 1.560 -6.089 -5.257 589 HB2 ASP 75 2HB ASP 75 1.275 -6.542 -7.595 590 HB3 ASP 75 1HB ASP 75 2.893 -7.229 -7.706 591 H LEU 76 H LEU 76 1.791 -7.665 -3.774 592 HA LEU 76 HA LEU 76 4.545 -8.445 -3.111 593 HB2 LEU 76 2HB LEU 76 2.016 -8.495 -1.473 594 HB3 LEU 76 1HB LEU 76 3.564 -9.093 -0.913 595 HG LEU 76 HG LEU 76 3.039 -6.242 -1.715 596 HD11 LEU 76 1HD1 LEU 76 3.183 -7.480 1.028 597 HD12 LEU 76 2HD1 LEU 76 1.733 -6.842 0.252 598 HD13 LEU 76 3HD1 LEU 76 3.056 -5.758 0.677 599 HD21 LEU 76 3HD2 LEU 76 5.169 -5.817 -0.567 600 HD22 LEU 76 1HD2 LEU 76 5.367 -6.898 -1.946 601 HD23 LEU 76 2HD2 LEU 76 5.363 -7.551 -0.308 602 H GLY 77 H GLY 77 1.882 -9.638 -4.690 603 HA2 GLY 77 2HA GLY 77 1.481 -11.759 -5.502 604 HA3 GLY 77 1HA GLY 77 2.911 -12.315 -4.642 605 H ALA 78 H ALA 78 1.512 -14.188 -4.160 606 HA ALA 78 HA ALA 78 -0.553 -13.673 -2.184 607 HB1 ALA 78 1HB ALA 78 -1.008 -16.056 -2.296 608 HB2 ALA 78 2HB ALA 78 0.415 -16.299 -3.307 609 HB3 ALA 78 3HB ALA 78 -0.952 -15.368 -3.918 610 H PHE 79 H PHE 79 0.102 -13.294 -0.210 611 HA PHE 79 HA PHE 79 2.437 -14.747 0.805 612 HB2 PHE 79 2HB PHE 79 2.480 -12.990 2.600 613 HB3 PHE 79 1HB PHE 79 2.763 -12.377 0.978 614 HD1 PHE 79 1HD PHE 79 0.407 -12.485 3.792 615 HD2 PHE 79 2HD PHE 79 1.191 -10.894 -0.079 616 HE1 PHE 79 1HE PHE 79 -1.386 -10.830 4.110 617 HE2 PHE 79 2HE PHE 79 -0.599 -9.241 0.234 618 HZ PHE 79 HZ PHE 79 -1.891 -9.206 2.330 619 H SER 80 H SER 80 2.374 -15.607 2.938 620 HA SER 80 HA SER 80 -0.161 -16.842 3.515 621 HB2 SER 80 2HB SER 80 2.530 -17.098 4.877 622 HB3 SER 80 1HB SER 80 1.123 -18.113 5.189 623 HG SER 80 HG SER 80 1.987 -19.295 3.691 624 H ARG 81 H ARG 81 -1.289 -16.650 5.445 625 HA ARG 81 HA ARG 81 -1.122 -14.093 6.693 626 HB2 ARG 81 2HB ARG 81 -2.966 -15.001 8.162 627 HB3 ARG 81 1HB ARG 81 -3.307 -14.931 6.442 628 HG2 ARG 81 2HG ARG 81 -2.684 -17.380 6.357 629 HG3 ARG 81 1HG ARG 81 -2.700 -17.345 8.123 630 HD2 ARG 81 2HD ARG 81 -4.992 -16.661 6.285 631 HD3 ARG 81 1HD ARG 81 -4.851 -18.102 7.291 632 HE ARG 81 HE ARG 81 -4.670 -16.151 9.107 633 HH11 ARG 81 1HH1 ARG 81 -6.972 -16.633 6.480 634 HH12 ARG 81 2HH1 ARG 81 -8.261 -15.831 7.315 635 HH21 ARG 81 1HH2 ARG 81 -6.378 -15.077 10.179 636 HH22 ARG 81 2HH2 ARG 81 -7.927 -14.950 9.417 637 H GLY 82 H GLY 82 -0.454 -13.537 8.696 638 HA2 GLY 82 2HA GLY 82 0.575 -13.847 10.779 639 HA3 GLY 82 1HA GLY 82 0.789 -15.557 10.400 640 H GLN 83 H GLN 83 1.559 -12.932 8.257 641 HA GLN 83 HA GLN 83 4.436 -13.377 8.634 642 HB2 GLN 83 2HB GLN 83 3.766 -14.905 6.869 643 HB3 GLN 83 1HB GLN 83 2.957 -13.604 6.014 644 HG2 GLN 83 2HG GLN 83 5.176 -12.489 5.771 645 HG3 GLN 83 1HG GLN 83 5.912 -13.940 6.447 646 HE21 GLN 83 1HE2 GLN 83 6.237 -12.738 3.821 647 HE22 GLN 83 2HE2 GLN 83 5.790 -13.954 2.675 648 H MET 84 H MET 84 1.855 -11.507 7.135 649 HA MET 84 HA MET 84 3.663 -9.362 6.404 650 HB2 MET 84 2HB MET 84 1.817 -10.131 4.918 651 HB3 MET 84 1HB MET 84 0.661 -9.566 6.108 652 HG2 MET 84 2HG MET 84 0.928 -8.019 4.244 653 HG3 MET 84 1HG MET 84 1.383 -7.287 5.782 654 HE1 MET 84 3HE MET 84 4.369 -8.726 2.569 655 HE2 MET 84 1HE MET 84 2.621 -8.937 2.490 656 HE3 MET 84 2HE MET 84 3.568 -9.853 3.663 657 H GLN 85 H GLN 85 2.911 -7.061 6.925 658 HA GLN 85 HA GLN 85 3.021 -6.536 9.655 659 HB2 GLN 85 2HB GLN 85 1.772 -4.793 7.515 660 HB3 GLN 85 1HB GLN 85 2.378 -4.251 9.071 661 HG2 GLN 85 2HG GLN 85 4.621 -4.665 8.445 662 HG3 GLN 85 1HG GLN 85 4.126 -5.549 7.002 663 HE21 GLN 85 1HE2 GLN 85 4.552 -2.422 8.449 664 HE22 GLN 85 2HE2 GLN 85 4.376 -1.509 6.989 665 H LYS 86 H LYS 86 1.499 -6.464 11.236 666 HA LYS 86 HA LYS 86 -0.853 -7.842 11.005 667 HB2 LYS 86 2HB LYS 86 0.388 -7.063 13.128 668 HB3 LYS 86 1HB LYS 86 -0.625 -5.632 13.026 669 HG2 LYS 86 2HG LYS 86 -1.700 -7.102 14.510 670 HG3 LYS 86 1HG LYS 86 -2.611 -7.176 12.999 671 HD2 LYS 86 2HD LYS 86 -1.413 -9.234 12.390 672 HD3 LYS 86 1HD LYS 86 -0.522 -9.158 13.909 673 HE2 LYS 86 2HE LYS 86 -2.294 -10.710 14.209 674 HE3 LYS 86 1HE LYS 86 -2.723 -9.250 15.096 675 HZ1 LYS 86 3HZ LYS 86 -4.638 -9.950 13.939 676 HZ2 LYS 86 1HZ LYS 86 -3.789 -10.173 12.501 677 HZ3 LYS 86 2HZ LYS 86 -4.062 -8.614 13.071 678 HA PRO 87 HA PRO 87 -3.459 -3.716 10.599 679 HB2 PRO 87 2HB PRO 87 -1.500 -1.908 9.310 680 HB3 PRO 87 1HB PRO 87 -2.685 -1.560 10.573 681 HG2 PRO 87 2HG PRO 87 -0.086 -1.696 11.141 682 HG3 PRO 87 1HG PRO 87 -1.304 -2.326 12.266 683 HD2 PRO 87 2HD PRO 87 0.454 -3.808 10.349 684 HD3 PRO 87 1HD PRO 87 0.024 -4.210 12.023 685 H PHE 88 H PHE 88 -0.904 -4.479 8.333 686 HA PHE 88 HA PHE 88 -2.435 -3.804 6.004 687 HB2 PHE 88 2HB PHE 88 0.052 -3.672 6.083 688 HB3 PHE 88 1HB PHE 88 0.109 -5.424 6.217 689 HD1 PHE 88 2HD PHE 88 -0.626 -6.825 4.303 690 HD2 PHE 88 1HD PHE 88 -0.269 -2.602 3.997 691 HE1 PHE 88 2HE PHE 88 -0.609 -7.013 1.853 692 HE2 PHE 88 1HE PHE 88 -0.253 -2.781 1.546 693 HZ PHE 88 HZ PHE 88 -0.423 -4.992 0.471 694 H GLU 89 H GLU 89 -1.370 -6.799 7.561 695 HA GLU 89 HA GLU 89 -2.452 -8.583 5.694 696 HB2 GLU 89 2HB GLU 89 -0.745 -9.068 7.483 697 HB3 GLU 89 1HB GLU 89 -2.071 -9.111 8.632 698 HG2 GLU 89 2HG GLU 89 -3.097 -10.933 7.340 699 HG3 GLU 89 1HG GLU 89 -1.702 -10.919 6.262 700 H ASP 90 H ASP 90 -3.789 -7.393 8.782 701 HA ASP 90 HA ASP 90 -6.165 -8.874 8.726 702 HB2 ASP 90 2HB ASP 90 -5.513 -6.218 9.989 703 HB3 ASP 90 1HB ASP 90 -7.104 -6.950 10.144 704 H ALA 91 H ALA 91 -5.346 -5.821 7.219 705 HA ALA 91 HA ALA 91 -8.014 -5.294 6.325 706 HB1 ALA 91 1HB ALA 91 -7.019 -3.458 5.070 707 HB2 ALA 91 2HB ALA 91 -5.406 -4.084 5.415 708 HB3 ALA 91 3HB ALA 91 -6.418 -3.482 6.728 709 H SER 92 H SER 92 -5.201 -6.909 5.028 710 HA SER 92 HA SER 92 -6.007 -6.999 2.317 711 HB2 SER 92 2HB SER 92 -4.208 -8.896 3.840 712 HB3 SER 92 1HB SER 92 -4.328 -8.778 2.085 713 HG SER 92 HG SER 92 -3.585 -6.625 3.782 714 H PHE 93 H PHE 93 -6.387 -9.301 4.997 715 HA PHE 93 HA PHE 93 -7.879 -11.143 3.374 716 HB2 PHE 93 2HB PHE 93 -7.254 -11.038 6.319 717 HB3 PHE 93 1HB PHE 93 -8.323 -12.260 5.636 718 HD1 PHE 93 1HD PHE 93 -4.872 -11.004 5.739 719 HD2 PHE 93 2HD PHE 93 -7.466 -14.061 4.319 720 HE1 PHE 93 1HE PHE 93 -2.921 -12.378 5.140 721 HE2 PHE 93 2HE PHE 93 -5.520 -15.440 3.721 722 HZ PHE 93 HZ PHE 93 -3.245 -14.599 4.130 723 H ALA 94 H ALA 94 -8.650 -8.235 4.632 724 HA ALA 94 HA ALA 94 -11.420 -8.885 5.251 725 HB1 ALA 94 1HB ALA 94 -11.633 -6.541 5.864 726 HB2 ALA 94 2HB ALA 94 -10.005 -6.223 5.264 727 HB3 ALA 94 3HB ALA 94 -10.238 -7.260 6.669 728 H LEU 95 H LEU 95 -9.589 -8.366 2.584 729 HA LEU 95 HA LEU 95 -11.704 -6.971 1.112 730 HB2 LEU 95 2HB LEU 95 -8.835 -7.519 0.374 731 HB3 LEU 95 1HB LEU 95 -9.994 -6.720 -0.665 732 HG LEU 95 HG LEU 95 -8.990 -5.676 1.981 733 HD11 LEU 95 1HD1 LEU 95 -8.439 -4.797 -0.848 734 HD12 LEU 95 2HD1 LEU 95 -7.304 -5.612 0.227 735 HD13 LEU 95 3HD1 LEU 95 -7.872 -3.988 0.612 736 HD21 LEU 95 3HD2 LEU 95 -11.291 -4.991 1.557 737 HD22 LEU 95 1HD2 LEU 95 -10.842 -4.438 -0.056 738 HD23 LEU 95 2HD2 LEU 95 -10.194 -3.626 1.367 739 H ARG 96 H ARG 96 -12.031 -7.724 -1.121 740 HA ARG 96 HA ARG 96 -11.994 -10.665 -1.272 741 HB2 ARG 96 2HB ARG 96 -13.969 -8.710 -2.468 742 HB3 ARG 96 1HB ARG 96 -14.033 -10.458 -2.639 743 HG2 ARG 96 2HG ARG 96 -14.530 -10.747 -0.335 744 HG3 ARG 96 1HG ARG 96 -14.175 -9.056 0.015 745 HD2 ARG 96 2HD ARG 96 -16.430 -10.073 -1.709 746 HD3 ARG 96 1HD ARG 96 -16.585 -9.466 -0.060 747 HE ARG 96 HE ARG 96 -15.355 -7.581 -1.836 748 HH11 ARG 96 1HH1 ARG 96 -18.439 -8.803 -0.692 749 HH12 ARG 96 2HH1 ARG 96 -19.307 -7.373 -1.115 750 HH21 ARG 96 1HH2 ARG 96 -16.496 -5.672 -2.418 751 HH22 ARG 96 2HH2 ARG 96 -18.204 -5.592 -2.119 752 H THR 97 H THR 97 -12.325 -11.284 -3.751 753 HA THR 97 HA THR 97 -10.030 -10.380 -5.135 754 HB THR 97 HB THR 97 -12.407 -11.934 -6.194 755 HG1 THR 97 1HG THR 97 -9.885 -12.965 -5.326 756 HG21 THR 97 3HG2 THR 97 -10.831 -12.730 -7.907 757 HG22 THR 97 1HG2 THR 97 -9.581 -11.678 -7.244 758 HG23 THR 97 2HG2 THR 97 -11.023 -10.979 -7.980 759 H GLY 98 H GLY 98 -9.816 -8.484 -6.149 760 HA2 GLY 98 2HA GLY 98 -10.328 -6.823 -7.693 761 HA3 GLY 98 1HA GLY 98 -11.952 -7.485 -7.839 762 H GLU 99 H GLU 99 -10.405 -6.694 -4.804 763 HA GLU 99 HA GLU 99 -12.250 -4.423 -4.497 764 HB2 GLU 99 2HB GLU 99 -12.957 -6.535 -3.282 765 HB3 GLU 99 1HB GLU 99 -11.517 -6.349 -2.294 766 HG2 GLU 99 2HG GLU 99 -13.439 -5.481 -1.134 767 HG3 GLU 99 1HG GLU 99 -12.335 -4.166 -1.538 768 H MET 100 H MET 100 -11.464 -2.658 -3.395 769 HA MET 100 HA MET 100 -8.610 -2.737 -2.652 770 HB2 MET 100 2HB MET 100 -9.051 -1.457 -4.728 771 HB3 MET 100 1HB MET 100 -10.160 -0.426 -3.839 772 HG2 MET 100 2HG MET 100 -8.260 0.252 -2.383 773 HG3 MET 100 1HG MET 100 -7.189 -0.668 -3.438 774 HE1 MET 100 3HE MET 100 -7.568 1.260 -6.832 775 HE2 MET 100 1HE MET 100 -8.558 -0.101 -6.308 776 HE3 MET 100 2HE MET 100 -6.820 -0.107 -6.009 777 H SER 101 H SER 101 -8.010 -1.703 -0.762 778 HA SER 101 HA SER 101 -10.192 -0.992 1.039 779 HB2 SER 101 2HB SER 101 -8.427 -1.063 2.786 780 HB3 SER 101 1HB SER 101 -8.547 -2.575 1.890 781 HG SER 101 HG SER 101 -6.483 -0.797 2.066 782 H GLY 102 H GLY 102 -9.476 0.829 2.654 783 HA2 GLY 102 2HA GLY 102 -8.877 3.169 1.031 784 HA3 GLY 102 1HA GLY 102 -9.476 3.169 2.687 785 HA PRO 103 HA PRO 103 -4.978 4.269 2.848 786 HB2 PRO 103 2HB PRO 103 -5.914 6.022 5.024 787 HB3 PRO 103 1HB PRO 103 -4.951 6.425 3.601 788 HG2 PRO 103 2HG PRO 103 -7.505 7.209 3.837 789 HG3 PRO 103 1HG PRO 103 -6.809 6.754 2.270 790 HD2 PRO 103 2HD PRO 103 -8.580 5.165 4.091 791 HD3 PRO 103 1HD PRO 103 -8.631 5.320 2.321 792 H VAL 104 H VAL 104 -4.254 2.380 3.753 793 HA VAL 104 HA VAL 104 -4.881 1.816 6.552 794 HB VAL 104 HB VAL 104 -3.293 0.181 4.550 795 HG11 VAL 104 1HG1 VAL 104 -2.612 -0.281 6.841 796 HG12 VAL 104 2HG1 VAL 104 -3.506 -1.647 6.174 797 HG13 VAL 104 3HG1 VAL 104 -4.293 -0.544 7.304 798 HG21 VAL 104 3HG2 VAL 104 -5.262 -1.284 4.486 799 HG22 VAL 104 1HG2 VAL 104 -5.641 0.344 3.922 800 HG23 VAL 104 2HG2 VAL 104 -6.123 -0.163 5.541 801 H PHE 105 H PHE 105 -3.611 2.704 8.034 802 HA PHE 105 HA PHE 105 -0.986 3.689 7.340 803 HB2 PHE 105 2HB PHE 105 -2.494 3.762 9.961 804 HB3 PHE 105 1HB PHE 105 -0.974 4.590 9.639 805 HD1 PHE 105 1HD PHE 105 -0.900 6.536 8.196 806 HD2 PHE 105 2HD PHE 105 -4.571 4.566 9.044 807 HE1 PHE 105 1HE PHE 105 -2.138 8.479 7.335 808 HE2 PHE 105 2HE PHE 105 -5.814 6.504 8.184 809 HZ PHE 105 HZ PHE 105 -4.599 8.464 7.329 810 H THR 106 H THR 106 0.951 2.941 8.082 811 HA THR 106 HA THR 106 0.980 0.541 9.767 812 HB THR 106 HB THR 106 2.605 -0.545 8.201 813 HG1 THR 106 1HG THR 106 2.202 1.838 6.884 814 HG21 THR 106 3HG2 THR 106 0.955 -1.276 6.527 815 HG22 THR 106 1HG2 THR 106 -0.105 0.053 6.997 816 HG23 THR 106 2HG2 THR 106 0.256 -1.236 8.145 817 H ASP 107 H ASP 107 3.699 -0.031 9.377 818 HA ASP 107 HA ASP 107 5.070 1.422 11.219 819 HB2 ASP 107 2HB ASP 107 6.108 -0.015 8.784 820 HB3 ASP 107 1HB ASP 107 7.162 0.645 10.026 821 H SER 108 H SER 108 5.628 1.816 7.720 822 HA SER 108 HA SER 108 6.192 4.639 8.245 823 HB2 SER 108 2HB SER 108 7.834 2.849 6.448 824 HB3 SER 108 1HB SER 108 8.101 4.567 6.729 825 HG SER 108 HG SER 108 8.892 2.439 8.177 826 H GLY 109 H GLY 109 4.148 5.166 7.407 827 HA2 GLY 109 2HA GLY 109 3.507 6.360 5.393 828 HA3 GLY 109 1HA GLY 109 4.156 5.022 4.472 829 H ILE 110 H ILE 110 1.830 5.811 3.735 830 HA ILE 110 HA ILE 110 -0.234 4.196 5.039 831 HB ILE 110 HB ILE 110 -0.528 6.183 2.773 832 HG12 ILE 110 2HG1 ILE 110 -1.027 6.637 5.725 833 HG13 ILE 110 1HG1 ILE 110 0.379 7.232 4.850 834 HG21 ILE 110 1HG2 ILE 110 -2.894 6.179 3.418 835 HG22 ILE 110 2HG2 ILE 110 -2.553 4.966 4.651 836 HG23 ILE 110 3HG2 ILE 110 -2.347 4.571 2.945 837 HD11 ILE 110 3HD1 ILE 110 -1.070 8.602 3.447 838 HD12 ILE 110 1HD1 ILE 110 -1.296 8.971 5.156 839 HD13 ILE 110 2HD1 ILE 110 -2.485 7.987 4.302 840 H HIS 111 H HIS 111 -1.118 2.450 4.034 841 HA HIS 111 HA HIS 111 0.023 1.714 1.416 842 HB2 HIS 111 2HB HIS 111 -0.905 -0.067 3.685 843 HB3 HIS 111 1HB HIS 111 -0.457 -0.656 2.094 844 HD1 HIS 111 1HD HIS 111 1.644 -1.957 2.658 845 HD2 HIS 111 2HD HIS 111 1.659 1.879 4.252 846 HE1 HIS 111 1HE HIS 111 3.931 -1.639 3.624 847 HE2 HIS 111 2HE HIS 111 3.782 0.538 4.855 848 H ILE 112 H ILE 112 -1.345 1.560 -0.219 849 HA ILE 112 HA ILE 112 -4.224 1.289 0.314 850 HB ILE 112 HB ILE 112 -2.840 1.824 -2.335 851 HG12 ILE 112 2HG1 ILE 112 -4.157 3.819 -0.474 852 HG13 ILE 112 1HG1 ILE 112 -2.422 3.654 -0.716 853 HG21 ILE 112 1HG2 ILE 112 -5.726 2.118 -1.494 854 HG22 ILE 112 2HG2 ILE 112 -5.071 0.862 -2.544 855 HG23 ILE 112 3HG2 ILE 112 -5.070 2.544 -3.075 856 HD11 ILE 112 3HD1 ILE 112 -4.438 4.471 -2.797 857 HD12 ILE 112 1HD1 ILE 112 -2.709 4.268 -3.074 858 HD13 ILE 112 2HD1 ILE 112 -3.283 5.525 -1.982 859 H ILE 113 H ILE 113 -5.069 -0.720 0.136 860 HA ILE 113 HA ILE 113 -3.377 -2.769 -1.106 861 HB ILE 113 HB ILE 113 -5.678 -3.211 0.801 862 HG12 ILE 113 2HG1 ILE 113 -2.718 -3.128 1.425 863 HG13 ILE 113 1HG1 ILE 113 -3.864 -1.855 1.831 864 HG21 ILE 113 1HG2 ILE 113 -5.094 -5.137 -0.584 865 HG22 ILE 113 2HG2 ILE 113 -4.663 -5.417 1.104 866 HG23 ILE 113 3HG2 ILE 113 -3.412 -5.003 -0.068 867 HD11 ILE 113 3HD1 ILE 113 -3.384 -3.251 3.754 868 HD12 ILE 113 1HD1 ILE 113 -3.913 -4.681 2.868 869 HD13 ILE 113 2HD1 ILE 113 -5.073 -3.416 3.272 870 H LEU 114 H LEU 114 -3.994 -3.785 -2.871 871 HA LEU 114 HA LEU 114 -6.843 -3.830 -3.588 872 HB2 LEU 114 2HB LEU 114 -5.807 -2.178 -5.014 873 HB3 LEU 114 1HB LEU 114 -4.495 -3.271 -5.405 874 HG LEU 114 HG LEU 114 -6.129 -4.745 -6.577 875 HD11 LEU 114 1HD1 LEU 114 -8.328 -3.883 -7.136 876 HD12 LEU 114 2HD1 LEU 114 -8.038 -2.460 -6.140 877 HD13 LEU 114 3HD1 LEU 114 -8.149 -4.053 -5.389 878 HD21 LEU 114 3HD2 LEU 114 -6.385 -3.303 -8.538 879 HD22 LEU 114 1HD2 LEU 114 -4.781 -3.149 -7.821 880 HD23 LEU 114 2HD2 LEU 114 -5.991 -1.896 -7.551 881 H ARG 115 H ARG 115 -7.471 -5.883 -3.516 882 HA ARG 115 HA ARG 115 -5.547 -8.017 -3.922 883 HB2 ARG 115 2HB ARG 115 -8.414 -7.942 -3.063 884 HB3 ARG 115 1HB ARG 115 -7.677 -9.449 -3.579 885 HG2 ARG 115 2HG ARG 115 -5.877 -8.926 -1.831 886 HG3 ARG 115 1HG ARG 115 -7.050 -7.767 -1.194 887 HD2 ARG 115 2HD ARG 115 -7.191 -9.987 -0.105 888 HD3 ARG 115 1HD ARG 115 -8.689 -9.511 -0.908 889 HE ARG 115 HE ARG 115 -6.951 -11.089 -2.569 890 HH11 ARG 115 1HH1 ARG 115 -9.479 -11.253 -0.132 891 HH12 ARG 115 2HH1 ARG 115 -10.005 -12.830 -0.607 892 HH21 ARG 115 1HH2 ARG 115 -7.650 -13.161 -3.213 893 HH22 ARG 115 2HH2 ARG 115 -8.960 -13.925 -2.364 894 H THR 116 H THR 116 -5.076 -8.625 -5.906 895 HA THR 116 HA THR 116 -7.003 -8.278 -8.025 896 HB THR 116 HB THR 116 -5.133 -9.239 -9.450 897 HG1 THR 116 1HG THR 116 -3.685 -10.237 -8.255 898 HG21 THR 116 3HG2 THR 116 -3.801 -7.184 -9.363 899 HG22 THR 116 1HG2 THR 116 -4.496 -6.793 -7.790 900 HG23 THR 116 2HG2 THR 116 -5.520 -6.821 -9.225 901 H GLU 117 H GLU 117 -5.379 -10.901 -6.314 902 HA GLU 117 HA GLU 117 -7.198 -12.794 -7.617 903 HB2 GLU 117 2HB GLU 117 -4.376 -13.096 -6.666 904 HB3 GLU 117 1HB GLU 117 -5.426 -14.500 -6.714 905 HG2 GLU 117 2HG GLU 117 -4.043 -14.322 -8.717 906 HG3 GLU 117 1HG GLU 117 -5.758 -14.211 -9.097 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -16.358 -20.204 -5.556 2 H2 GLY 1 2HT GLY 1 -14.800 -20.211 -6.200 3 H3 GLY 1 3HT GLY 1 -15.908 -19.028 -6.688 4 HA2 GLY 1 1HA GLY 1 -14.348 -18.071 -5.156 5 HA3 GLY 1 2HA GLY 1 -15.947 -18.142 -4.430 6 H SER 2 H SER 2 -14.331 -17.902 -2.530 7 HA SER 2 HA SER 2 -13.619 -20.609 -1.643 8 HB2 SER 2 2HB SER 2 -11.669 -19.075 -2.099 9 HB3 SER 2 1HB SER 2 -12.247 -18.059 -0.780 10 HG SER 2 HG SER 2 -10.817 -19.399 0.153 11 H HIS 3 H HIS 3 -14.784 -21.300 0.001 12 HA HIS 3 HA HIS 3 -16.399 -19.459 1.555 13 HB2 HIS 3 2HB HIS 3 -16.172 -22.468 1.516 14 HB3 HIS 3 1HB HIS 3 -17.146 -21.614 2.703 15 HD1 HIS 3 1HD HIS 3 -17.217 -22.923 -0.709 16 HD2 HIS 3 2HD HIS 3 -19.363 -20.169 1.537 17 HE1 HIS 3 1HE HIS 3 -19.354 -22.545 -1.969 18 HE2 HIS 3 2HE HIS 3 -20.552 -20.741 -0.681 19 H MET 4 H MET 4 -13.439 -21.177 1.833 20 HA MET 4 HA MET 4 -13.332 -20.820 4.728 21 HB2 MET 4 2HB MET 4 -11.332 -22.163 4.674 22 HB3 MET 4 1HB MET 4 -12.577 -22.962 3.725 23 HG2 MET 4 2HG MET 4 -11.544 -22.176 1.671 24 HG3 MET 4 1HG MET 4 -10.325 -21.310 2.601 25 HE1 MET 4 3HE MET 4 -8.285 -24.236 0.990 26 HE2 MET 4 1HE MET 4 -8.398 -22.490 1.212 27 HE3 MET 4 2HE MET 4 -9.620 -23.340 0.268 28 H GLU 5 H GLU 5 -11.352 -19.917 5.673 29 HA GLU 5 HA GLU 5 -10.173 -17.802 4.008 30 HB2 GLU 5 2HB GLU 5 -10.765 -17.686 6.975 31 HB3 GLU 5 1HB GLU 5 -10.028 -16.408 6.018 32 HG2 GLU 5 2HG GLU 5 -12.078 -16.197 4.715 33 HG3 GLU 5 1HG GLU 5 -12.815 -17.482 5.668 34 HA PRO 6 HA PRO 6 -6.690 -20.385 5.258 35 HB2 PRO 6 2HB PRO 6 -5.061 -19.714 3.242 36 HB3 PRO 6 1HB PRO 6 -6.433 -20.803 2.998 37 HG2 PRO 6 2HG PRO 6 -6.195 -17.887 2.369 38 HG3 PRO 6 1HG PRO 6 -6.922 -19.185 1.404 39 HD2 PRO 6 2HD PRO 6 -8.360 -17.443 2.965 40 HD3 PRO 6 1HD PRO 6 -8.910 -19.076 2.539 41 H ALA 7 H ALA 7 -4.245 -19.837 5.357 42 HA ALA 7 HA ALA 7 -4.003 -17.329 6.815 43 HB1 ALA 7 1HB ALA 7 -1.890 -18.254 7.633 44 HB2 ALA 7 2HB ALA 7 -2.085 -19.648 6.573 45 HB3 ALA 7 3HB ALA 7 -3.219 -19.382 7.896 46 H ARG 8 H ARG 8 -3.689 -18.285 3.717 47 HA ARG 8 HA ARG 8 -1.639 -16.269 3.170 48 HB2 ARG 8 2HB ARG 8 -1.778 -19.058 2.089 49 HB3 ARG 8 1HB ARG 8 -1.008 -17.775 1.170 50 HG2 ARG 8 2HG ARG 8 0.469 -17.363 3.131 51 HG3 ARG 8 1HG ARG 8 -0.228 -18.802 3.883 52 HD2 ARG 8 2HD ARG 8 0.602 -20.203 2.154 53 HD3 ARG 8 1HD ARG 8 1.050 -18.816 1.162 54 HE ARG 8 HE ARG 8 2.351 -18.995 3.741 55 HH11 ARG 8 1HH1 ARG 8 2.517 -19.719 0.315 56 HH12 ARG 8 2HH1 ARG 8 4.240 -19.832 0.281 57 HH21 ARG 8 1HH2 ARG 8 4.644 -19.161 3.711 58 HH22 ARG 8 2HH2 ARG 8 5.457 -19.503 2.222 59 H VAL 9 H VAL 9 -2.335 -14.762 1.898 60 HA VAL 9 HA VAL 9 -4.174 -15.404 -0.288 61 HB VAL 9 HB VAL 9 -5.404 -13.277 0.074 62 HG11 VAL 9 1HG1 VAL 9 -5.492 -15.141 2.441 63 HG12 VAL 9 2HG1 VAL 9 -6.371 -15.333 0.925 64 HG13 VAL 9 3HG1 VAL 9 -6.748 -13.985 1.999 65 HG21 VAL 9 3HG2 VAL 9 -5.207 -12.087 2.215 66 HG22 VAL 9 1HG2 VAL 9 -3.698 -12.046 1.303 67 HG23 VAL 9 2HG2 VAL 9 -3.871 -13.143 2.672 68 H ARG 10 H ARG 10 -4.122 -13.676 -1.980 69 HA ARG 10 HA ARG 10 -1.430 -12.485 -2.045 70 HB2 ARG 10 2HB ARG 10 -1.895 -14.137 -3.810 71 HB3 ARG 10 1HB ARG 10 -3.266 -13.167 -4.331 72 HG2 ARG 10 2HG ARG 10 -1.797 -11.354 -4.953 73 HG3 ARG 10 1HG ARG 10 -0.406 -12.252 -4.350 74 HD2 ARG 10 2HD ARG 10 -0.765 -13.979 -5.999 75 HD3 ARG 10 1HD ARG 10 -2.217 -13.162 -6.574 76 HE ARG 10 HE ARG 10 0.134 -11.519 -6.688 77 HH11 ARG 10 1HH1 ARG 10 -1.720 -14.001 -8.367 78 HH12 ARG 10 2HH1 ARG 10 -1.121 -13.554 -9.931 79 HH21 ARG 10 1HH2 ARG 10 0.926 -10.951 -8.736 80 HH22 ARG 10 2HH2 ARG 10 0.406 -11.812 -10.142 81 H CYS 11 H CYS 11 -1.266 -10.349 -1.972 82 HA CYS 11 HA CYS 11 -3.501 -8.723 -2.910 83 HB2 CYS 11 2HB CYS 11 -2.220 -8.327 -0.199 84 HB3 CYS 11 1HB CYS 11 -3.505 -7.355 -0.902 85 HG CYS 11 HG CYS 11 -4.481 -10.468 -0.892 86 H SER 12 H SER 12 -2.961 -6.697 -3.601 87 HA SER 12 HA SER 12 -0.104 -6.137 -3.911 88 HB2 SER 12 2HB SER 12 -2.482 -4.863 -5.299 89 HB3 SER 12 1HB SER 12 -0.782 -4.642 -5.715 90 HG SER 12 HG SER 12 -2.160 -7.129 -5.808 91 H HIS 13 H HIS 13 0.749 -4.191 -3.128 92 HA HIS 13 HA HIS 13 -1.139 -2.541 -1.628 93 HB2 HIS 13 2HB HIS 13 0.252 -2.447 0.339 94 HB3 HIS 13 1HB HIS 13 -0.110 -4.120 -0.036 95 HD1 HIS 13 1HD HIS 13 2.133 -3.947 1.792 96 HD2 HIS 13 2HD HIS 13 2.750 -3.443 -2.290 97 HE1 HIS 13 1HE HIS 13 4.581 -4.343 1.421 98 HE2 HIS 13 2HE HIS 13 4.953 -3.912 -1.034 99 H LEU 14 H LEU 14 -0.694 -0.436 -1.390 100 HA LEU 14 HA LEU 14 1.713 0.585 -2.739 101 HB2 LEU 14 2HB LEU 14 -0.588 1.062 -3.804 102 HB3 LEU 14 1HB LEU 14 -0.894 2.082 -2.417 103 HG LEU 14 HG LEU 14 1.476 2.550 -4.218 104 HD11 LEU 14 1HD1 LEU 14 -1.299 3.689 -4.515 105 HD12 LEU 14 2HD1 LEU 14 -0.514 2.564 -5.622 106 HD13 LEU 14 3HD1 LEU 14 0.127 4.194 -5.420 107 HD21 LEU 14 3HD2 LEU 14 1.293 4.832 -3.362 108 HD22 LEU 14 1HD2 LEU 14 1.490 3.676 -2.045 109 HD23 LEU 14 2HD2 LEU 14 -0.099 4.361 -2.388 110 H LEU 15 H LEU 15 3.008 1.806 -1.487 111 HA LEU 15 HA LEU 15 1.980 2.566 1.165 112 HB2 LEU 15 2HB LEU 15 3.378 0.738 1.595 113 HB3 LEU 15 1HB LEU 15 4.563 1.247 0.410 114 HG LEU 15 HG LEU 15 5.255 3.092 1.885 115 HD11 LEU 15 1HD1 LEU 15 3.284 1.928 3.840 116 HD12 LEU 15 2HD1 LEU 15 3.163 3.497 3.043 117 HD13 LEU 15 3HD1 LEU 15 4.465 3.189 4.193 118 HD21 LEU 15 3HD2 LEU 15 6.314 1.723 3.621 119 HD22 LEU 15 1HD2 LEU 15 6.423 0.977 2.027 120 HD23 LEU 15 2HD2 LEU 15 5.247 0.383 3.199 121 H VAL 16 H VAL 16 2.131 4.608 1.630 122 HA VAL 16 HA VAL 16 4.234 6.214 0.349 123 HB VAL 16 HB VAL 16 1.457 7.124 1.185 124 HG11 VAL 16 1HG1 VAL 16 3.148 8.842 1.622 125 HG12 VAL 16 2HG1 VAL 16 2.083 9.308 0.295 126 HG13 VAL 16 3HG1 VAL 16 3.708 8.713 -0.046 127 HG21 VAL 16 3HG2 VAL 16 1.128 7.583 -1.194 128 HG22 VAL 16 1HG2 VAL 16 1.471 5.876 -0.914 129 HG23 VAL 16 2HG2 VAL 16 2.731 6.937 -1.544 130 H LYS 17 H LYS 17 5.718 6.782 1.759 131 HA LYS 17 HA LYS 17 5.231 6.527 4.600 132 HB2 LYS 17 2HB LYS 17 7.696 7.386 3.080 133 HB3 LYS 17 1HB LYS 17 7.627 7.168 4.820 134 HG2 LYS 17 2HG LYS 17 7.241 4.812 4.562 135 HG3 LYS 17 1HG LYS 17 7.109 4.984 2.811 136 HD2 LYS 17 2HD LYS 17 9.464 5.870 2.814 137 HD3 LYS 17 1HD LYS 17 9.556 5.437 4.520 138 HE2 LYS 17 2HE LYS 17 8.936 3.493 2.300 139 HE3 LYS 17 1HE LYS 17 10.543 3.747 2.974 140 HZ1 LYS 17 3HZ LYS 17 8.192 2.868 4.559 141 HZ2 LYS 17 1HZ LYS 17 9.792 2.968 5.085 142 HZ3 LYS 17 2HZ LYS 17 9.360 1.828 3.921 143 H HIS 18 H HIS 18 6.281 8.315 5.982 144 HA HIS 18 HA HIS 18 5.627 10.953 4.947 145 HB2 HIS 18 2HB HIS 18 4.695 11.383 7.400 146 HB3 HIS 18 1HB HIS 18 3.661 10.796 6.111 147 HD1 HIS 18 1HD HIS 18 5.168 9.783 9.396 148 HD2 HIS 18 2HD HIS 18 2.774 8.147 6.412 149 HE1 HIS 18 1HE HIS 18 4.198 7.698 10.374 150 HE2 HIS 18 2HE HIS 18 2.552 6.899 8.664 151 H SER 19 H SER 19 6.664 12.670 5.919 152 HA SER 19 HA SER 19 9.333 12.418 6.397 153 HB2 SER 19 2HB SER 19 8.142 14.536 5.886 154 HB3 SER 19 1HB SER 19 7.566 14.585 7.551 155 HG SER 19 HG SER 19 10.230 14.762 6.606 156 H GLN 20 H GLN 20 6.808 12.566 8.882 157 HA GLN 20 HA GLN 20 8.813 11.994 10.913 158 HB2 GLN 20 2HB GLN 20 5.869 12.619 11.160 159 HB3 GLN 20 1HB GLN 20 6.953 12.339 12.515 160 HG2 GLN 20 2HG GLN 20 7.202 14.563 10.502 161 HG3 GLN 20 1HG GLN 20 6.552 14.713 12.133 162 HE21 GLN 20 1HE2 GLN 20 8.855 16.011 10.856 163 HE22 GLN 20 2HE2 GLN 20 10.210 15.653 11.868 164 H SER 21 H SER 21 9.351 9.884 10.625 165 HA SER 21 HA SER 21 7.541 7.938 11.658 166 HB2 SER 21 2HB SER 21 7.521 6.455 9.673 167 HB3 SER 21 1HB SER 21 6.705 7.983 9.350 168 HG SER 21 HG SER 21 8.416 8.653 8.137 169 H ARG 22 H ARG 22 8.684 5.630 11.057 170 HA ARG 22 HA ARG 22 11.089 5.590 12.488 171 HB2 ARG 22 2HB ARG 22 11.200 3.238 11.910 172 HB3 ARG 22 1HB ARG 22 9.539 3.669 12.283 173 HG2 ARG 22 2HG ARG 22 9.156 3.886 9.797 174 HG3 ARG 22 1HG ARG 22 10.748 3.159 9.576 175 HD2 ARG 22 2HD ARG 22 8.370 1.935 10.961 176 HD3 ARG 22 1HD ARG 22 9.040 1.463 9.404 177 HE ARG 22 HE ARG 22 11.070 0.784 10.658 178 HH11 ARG 22 1HH1 ARG 22 7.995 1.044 12.351 179 HH12 ARG 22 2HH1 ARG 22 8.411 -0.148 13.538 180 HH21 ARG 22 1HH2 ARG 22 11.611 -0.801 12.223 181 HH22 ARG 22 2HH2 ARG 22 10.477 -1.210 13.462 182 H ARG 23 H ARG 23 10.432 5.810 9.061 183 HA ARG 23 HA ARG 23 13.151 6.532 8.532 184 HB2 ARG 23 2HB ARG 23 13.335 4.095 8.467 185 HB3 ARG 23 1HB ARG 23 12.014 4.013 7.313 186 HG2 ARG 23 2HG ARG 23 13.362 5.196 5.665 187 HG3 ARG 23 1HG ARG 23 14.685 5.319 6.827 188 HD2 ARG 23 2HD ARG 23 14.808 2.869 6.922 189 HD3 ARG 23 1HD ARG 23 13.506 2.765 5.740 190 HE ARG 23 HE ARG 23 14.970 3.643 4.091 191 HH11 ARG 23 1HH1 ARG 23 16.552 2.945 7.152 192 HH12 ARG 23 2HH1 ARG 23 18.132 2.871 6.459 193 HH21 ARG 23 1HH2 ARG 23 17.096 3.545 3.181 194 HH22 ARG 23 2HH2 ARG 23 18.445 3.221 4.218 195 HA PRO 24 HA PRO 24 10.346 8.595 5.612 196 HB2 PRO 24 2HB PRO 24 11.433 11.028 5.816 197 HB3 PRO 24 1HB PRO 24 10.368 10.405 7.083 198 HG2 PRO 24 2HG PRO 24 13.349 10.588 7.035 199 HG3 PRO 24 1HG PRO 24 12.227 10.890 8.373 200 HD2 PRO 24 2HD PRO 24 13.655 8.543 7.992 201 HD3 PRO 24 1HD PRO 24 12.184 8.691 8.973 202 H SER 25 H SER 25 12.315 6.902 4.739 203 HA SER 25 HA SER 25 13.545 8.420 2.588 204 HB2 SER 25 2HB SER 25 15.214 8.276 4.446 205 HB3 SER 25 1HB SER 25 15.123 6.519 4.340 206 HG SER 25 HG SER 25 16.135 8.378 2.487 207 H SER 26 H SER 26 13.721 7.247 0.708 208 HA SER 26 HA SER 26 13.540 4.397 0.640 209 HB2 SER 26 2HB SER 26 11.145 5.055 1.020 210 HB3 SER 26 1HB SER 26 11.200 5.965 -0.489 211 H TRP 27 H TRP 27 12.745 4.052 -1.974 212 HA TRP 27 HA TRP 27 15.042 5.022 -3.386 213 HB2 TRP 27 2HB TRP 27 14.296 3.676 -5.226 214 HB3 TRP 27 1HB TRP 27 13.967 2.765 -3.757 215 HD1 TRP 27 HD TRP 27 11.302 2.784 -2.937 216 HE1 TRP 27 1HE TRP 27 9.164 2.839 -4.374 217 HE3 TRP 27 3HE TRP 27 13.317 4.449 -7.329 218 HZ2 TRP 27 2HZ TRP 27 8.438 3.486 -7.014 219 HZ3 TRP 27 3HZ TRP 27 11.831 4.756 -9.263 220 HH2 TRP 27 HH TRP 27 9.445 4.284 -9.106 221 H ARG 28 H ARG 28 11.873 6.138 -2.885 222 HA ARG 28 HA ARG 28 11.451 7.643 -5.225 223 HB2 ARG 28 2HB ARG 28 10.408 7.890 -2.417 224 HB3 ARG 28 1HB ARG 28 9.960 9.037 -3.667 225 HG2 ARG 28 2HG ARG 28 9.477 6.064 -3.772 226 HG3 ARG 28 1HG ARG 28 8.275 7.290 -3.364 227 HD2 ARG 28 2HD ARG 28 9.676 6.870 -5.996 228 HD3 ARG 28 1HD ARG 28 7.953 6.733 -5.652 229 HE ARG 28 HE ARG 28 8.693 9.334 -5.021 230 HH11 ARG 28 1HH1 ARG 28 8.463 7.301 -7.868 231 HH12 ARG 28 2HH1 ARG 28 8.335 8.630 -8.965 232 HH21 ARG 28 1HH2 ARG 28 8.498 11.103 -6.472 233 HH22 ARG 28 2HH2 ARG 28 8.348 10.800 -8.170 234 H GLN 29 H GLN 29 12.991 8.423 -2.150 235 HA GLN 29 HA GLN 29 14.713 10.331 -3.301 236 HB2 GLN 29 2HB GLN 29 12.564 11.624 -3.317 237 HB3 GLN 29 1HB GLN 29 12.508 11.474 -1.569 238 HG2 GLN 29 2HG GLN 29 14.428 12.833 -1.304 239 HG3 GLN 29 1HG GLN 29 14.786 12.777 -3.030 240 HE21 GLN 29 1HE2 GLN 29 12.694 14.089 -0.581 241 HE22 GLN 29 2HE2 GLN 29 12.036 15.360 -1.556 242 H GLU 30 H GLU 30 16.252 11.103 -1.783 243 HA GLU 30 HA GLU 30 16.955 9.308 0.221 244 HB2 GLU 30 2HB GLU 30 18.632 10.958 0.898 245 HB3 GLU 30 1HB GLU 30 18.571 10.784 -0.849 246 HG2 GLU 30 2HG GLU 30 17.314 12.837 -1.044 247 HG3 GLU 30 1HG GLU 30 17.253 12.992 0.709 248 H LYS 31 H LYS 31 15.147 12.322 0.440 249 HA LYS 31 HA LYS 31 14.375 11.541 3.131 250 HB2 LYS 31 2HB LYS 31 14.561 13.885 3.930 251 HB3 LYS 31 1HB LYS 31 16.108 13.172 3.526 252 HG2 LYS 31 2HG LYS 31 16.344 15.271 2.632 253 HG3 LYS 31 1HG LYS 31 15.733 14.392 1.233 254 HD2 LYS 31 2HD LYS 31 13.510 15.228 1.604 255 HD3 LYS 31 1HD LYS 31 13.993 15.959 3.135 256 HE2 LYS 31 2HE LYS 31 15.106 16.733 0.440 257 HE3 LYS 31 1HE LYS 31 13.797 17.581 1.261 258 HZ1 LYS 31 3HZ LYS 31 15.866 18.698 1.662 259 HZ2 LYS 31 1HZ LYS 31 16.586 17.282 2.238 260 HZ3 LYS 31 2HZ LYS 31 15.338 18.009 3.111 261 H ILE 32 H ILE 32 12.311 11.830 3.601 262 HA ILE 32 HA ILE 32 10.606 12.824 1.451 263 HB ILE 32 HB ILE 32 10.027 11.064 3.840 264 HG12 ILE 32 2HG1 ILE 32 9.992 10.508 0.866 265 HG13 ILE 32 1HG1 ILE 32 11.256 10.009 1.984 266 HG21 ILE 32 1HG2 ILE 32 8.121 12.010 1.709 267 HG22 ILE 32 2HG2 ILE 32 8.100 12.486 3.407 268 HG23 ILE 32 3HG2 ILE 32 7.764 10.814 2.955 269 HD11 ILE 32 3HD1 ILE 32 9.769 8.172 1.455 270 HD12 ILE 32 1HD1 ILE 32 8.389 9.106 2.031 271 HD13 ILE 32 2HD1 ILE 32 9.646 8.603 3.161 272 H THR 33 H THR 33 9.647 14.731 1.618 273 HA THR 33 HA THR 33 9.744 16.151 4.158 274 HB THR 33 HB THR 33 9.000 18.119 2.720 275 HG1 THR 33 1HG THR 33 8.750 17.811 0.617 276 HG21 THR 33 3HG2 THR 33 11.242 18.442 1.769 277 HG22 THR 33 1HG2 THR 33 11.593 16.732 2.020 278 HG23 THR 33 2HG2 THR 33 11.330 17.791 3.405 279 H ARG 34 H ARG 34 7.463 14.692 2.005 280 HA ARG 34 HA ARG 34 5.141 16.038 2.917 281 HB2 ARG 34 2HB ARG 34 3.992 13.880 1.991 282 HB3 ARG 34 1HB ARG 34 4.776 14.994 0.882 283 HG2 ARG 34 2HG ARG 34 6.739 13.561 0.809 284 HG3 ARG 34 1HG ARG 34 5.990 12.462 1.965 285 HD2 ARG 34 2HD ARG 34 4.414 11.724 0.420 286 HD3 ARG 34 1HD ARG 34 4.632 13.132 -0.618 287 HE ARG 34 HE ARG 34 6.529 12.167 -1.536 288 HH11 ARG 34 1HH1 ARG 34 5.270 10.101 1.032 289 HH12 ARG 34 2HH1 ARG 34 6.183 8.716 0.515 290 HH21 ARG 34 1HH2 ARG 34 7.758 10.317 -2.155 291 HH22 ARG 34 2HH2 ARG 34 7.613 8.841 -1.247 292 H THR 35 H THR 35 4.117 15.896 4.758 293 HA THR 35 HA THR 35 4.856 13.853 6.664 294 HB THR 35 HB THR 35 4.536 16.257 7.330 295 HG1 THR 35 1HG THR 35 4.056 15.541 9.261 296 HG21 THR 35 3HG2 THR 35 2.228 17.052 7.702 297 HG22 THR 35 1HG2 THR 35 1.616 15.615 6.885 298 HG23 THR 35 2HG2 THR 35 2.577 16.796 5.994 299 H LYS 36 H LYS 36 2.596 13.369 8.084 300 HA LYS 36 HA LYS 36 1.440 11.239 6.677 301 HB2 LYS 36 2HB LYS 36 1.529 11.121 9.039 302 HB3 LYS 36 1HB LYS 36 0.665 12.638 9.222 303 HG2 LYS 36 2HG LYS 36 -1.377 11.629 8.473 304 HG3 LYS 36 1HG LYS 36 -0.536 10.124 8.091 305 HD2 LYS 36 2HD LYS 36 -0.189 9.606 10.337 306 HD3 LYS 36 1HD LYS 36 -0.465 11.268 10.858 307 HE2 LYS 36 2HE LYS 36 -2.576 9.476 9.673 308 HE3 LYS 36 1HE LYS 36 -2.324 9.714 11.402 309 HZ1 LYS 36 3HZ LYS 36 -4.081 11.141 10.544 310 HZ2 LYS 36 1HZ LYS 36 -3.005 11.860 9.458 311 HZ3 LYS 36 2HZ LYS 36 -2.790 12.059 11.120 312 H GLU 37 H GLU 37 0.022 14.400 7.509 313 HA GLU 37 HA GLU 37 -2.486 14.012 6.337 314 HB2 GLU 37 2HB GLU 37 -0.852 16.497 6.812 315 HB3 GLU 37 1HB GLU 37 -2.445 16.571 6.079 316 HG2 GLU 37 2HG GLU 37 -2.516 17.048 8.466 317 HG3 GLU 37 1HG GLU 37 -3.433 15.600 8.061 318 H GLU 38 H GLU 38 0.491 15.288 4.969 319 HA GLU 38 HA GLU 38 -0.543 15.911 2.426 320 HB2 GLU 38 2HB GLU 38 2.295 15.262 3.243 321 HB3 GLU 38 1HB GLU 38 1.817 16.030 1.735 322 HG2 GLU 38 2HG GLU 38 0.999 17.955 2.920 323 HG3 GLU 38 1HG GLU 38 1.308 17.180 4.469 324 H ALA 39 H ALA 39 1.004 13.038 3.758 325 HA ALA 39 HA ALA 39 1.269 11.582 1.367 326 HB1 ALA 39 1HB ALA 39 1.525 9.623 2.810 327 HB2 ALA 39 2HB ALA 39 0.933 10.556 4.184 328 HB3 ALA 39 3HB ALA 39 2.458 10.992 3.415 329 H LEU 40 H LEU 40 -1.391 11.891 3.654 330 HA LEU 40 HA LEU 40 -2.981 9.785 2.686 331 HB2 LEU 40 2HB LEU 40 -3.368 10.875 4.840 332 HB3 LEU 40 1HB LEU 40 -3.824 12.355 4.022 333 HG LEU 40 HG LEU 40 -5.790 11.222 3.068 334 HD11 LEU 40 1HD1 LEU 40 -4.904 8.877 4.742 335 HD12 LEU 40 2HD1 LEU 40 -4.919 8.950 2.980 336 HD13 LEU 40 3HD1 LEU 40 -6.435 9.008 3.877 337 HD21 LEU 40 3HD2 LEU 40 -7.059 11.035 5.136 338 HD22 LEU 40 1HD2 LEU 40 -5.973 12.424 5.183 339 HD23 LEU 40 2HD2 LEU 40 -5.559 10.949 6.058 340 H GLU 41 H GLU 41 -2.654 13.129 1.682 341 HA GLU 41 HA GLU 41 -4.851 13.245 -0.068 342 HB2 GLU 41 2HB GLU 41 -2.209 14.695 -0.223 343 HB3 GLU 41 1HB GLU 41 -3.655 15.125 -1.125 344 HG2 GLU 41 2HG GLU 41 -4.826 15.631 0.921 345 HG3 GLU 41 1HG GLU 41 -3.438 15.104 1.873 346 H LEU 42 H LEU 42 -1.521 12.191 -0.503 347 HA LEU 42 HA LEU 42 -1.637 11.712 -3.283 348 HB2 LEU 42 2HB LEU 42 0.098 10.705 -1.056 349 HB3 LEU 42 1HB LEU 42 0.203 9.954 -2.631 350 HG LEU 42 HG LEU 42 0.841 12.123 -3.615 351 HD11 LEU 42 1HD1 LEU 42 0.841 13.117 -0.774 352 HD12 LEU 42 2HD1 LEU 42 -0.268 13.616 -2.051 353 HD13 LEU 42 3HD1 LEU 42 1.450 13.992 -2.178 354 HD21 LEU 42 3HD2 LEU 42 3.082 12.237 -2.614 355 HD22 LEU 42 1HD2 LEU 42 2.567 10.579 -2.924 356 HD23 LEU 42 2HD2 LEU 42 2.522 11.225 -1.284 357 H ILE 43 H ILE 43 -2.119 9.614 -0.477 358 HA ILE 43 HA ILE 43 -2.655 7.204 -1.725 359 HB ILE 43 HB ILE 43 -3.852 8.343 0.807 360 HG12 ILE 43 2HG1 ILE 43 -1.394 8.080 0.800 361 HG13 ILE 43 1HG1 ILE 43 -2.176 7.013 1.958 362 HG21 ILE 43 1HG2 ILE 43 -5.295 6.573 -0.019 363 HG22 ILE 43 2HG2 ILE 43 -4.429 6.040 1.421 364 HG23 ILE 43 3HG2 ILE 43 -3.910 5.492 -0.170 365 HD11 ILE 43 3HD1 ILE 43 -0.389 5.859 0.816 366 HD12 ILE 43 1HD1 ILE 43 -1.110 6.235 -0.749 367 HD13 ILE 43 2HD1 ILE 43 -1.942 5.155 0.369 368 H ASN 44 H ASN 44 -5.042 9.638 -0.685 369 HA ASN 44 HA ASN 44 -7.275 8.355 -1.809 370 HB2 ASN 44 2HB ASN 44 -6.844 11.291 -1.222 371 HB3 ASN 44 1HB ASN 44 -8.397 10.576 -1.636 372 HD21 ASN 44 1HD2 ASN 44 -7.662 11.999 0.743 373 HD22 ASN 44 2HD2 ASN 44 -7.906 10.914 2.068 374 H GLY 45 H GLY 45 -4.960 10.624 -3.142 375 HA2 GLY 45 2HA GLY 45 -6.313 11.280 -5.516 376 HA3 GLY 45 1HA GLY 45 -4.571 11.338 -5.281 377 H TYR 46 H TYR 46 -3.943 8.719 -4.834 378 HA TYR 46 HA TYR 46 -3.874 7.641 -7.424 379 HB2 TYR 46 2HB TYR 46 -3.487 6.166 -4.806 380 HB3 TYR 46 1HB TYR 46 -2.975 5.601 -6.390 381 HD1 TYR 46 2HD TYR 46 -1.783 8.081 -7.517 382 HD2 TYR 46 1HD TYR 46 -1.505 6.412 -3.613 383 HE1 TYR 46 2HE TYR 46 0.377 9.210 -7.193 384 HE2 TYR 46 1HE TYR 46 0.654 7.537 -3.280 385 HH TYR 46 HH TYR 46 2.476 8.448 -4.636 386 H ILE 47 H ILE 47 -5.961 6.973 -4.665 387 HA ILE 47 HA ILE 47 -7.393 4.821 -5.738 388 HB ILE 47 HB ILE 47 -8.364 6.950 -3.809 389 HG12 ILE 47 2HG1 ILE 47 -7.224 4.192 -3.294 390 HG13 ILE 47 1HG1 ILE 47 -6.369 5.710 -3.042 391 HG21 ILE 47 1HG2 ILE 47 -9.513 4.222 -4.401 392 HG22 ILE 47 2HG2 ILE 47 -10.241 5.772 -4.823 393 HG23 ILE 47 3HG2 ILE 47 -10.061 5.314 -3.129 394 HD11 ILE 47 3HD1 ILE 47 -7.199 4.804 -0.948 395 HD12 ILE 47 1HD1 ILE 47 -8.845 4.810 -1.582 396 HD13 ILE 47 2HD1 ILE 47 -7.994 6.333 -1.325 397 H GLN 48 H GLN 48 -7.843 8.312 -6.073 398 HA GLN 48 HA GLN 48 -10.313 8.216 -7.445 399 HB2 GLN 48 2HB GLN 48 -8.140 10.308 -7.699 400 HB3 GLN 48 1HB GLN 48 -9.811 10.496 -8.202 401 HG2 GLN 48 2HG GLN 48 -8.732 10.277 -5.407 402 HG3 GLN 48 1HG GLN 48 -9.560 11.642 -6.151 403 HE21 GLN 48 1HE2 GLN 48 -9.902 8.576 -4.622 404 HE22 GLN 48 2HE2 GLN 48 -11.623 8.596 -4.472 405 H LYS 49 H LYS 49 -6.972 8.033 -8.526 406 HA LYS 49 HA LYS 49 -7.483 8.198 -11.296 407 HB2 LYS 49 2HB LYS 49 -5.217 6.749 -9.920 408 HB3 LYS 49 1HB LYS 49 -5.253 7.282 -11.594 409 HG2 LYS 49 2HG LYS 49 -5.444 9.628 -10.756 410 HG3 LYS 49 1HG LYS 49 -5.175 9.004 -9.129 411 HD2 LYS 49 2HD LYS 49 -3.084 9.792 -9.991 412 HD3 LYS 49 1HD LYS 49 -3.026 8.030 -9.937 413 HE2 LYS 49 2HE LYS 49 -2.078 8.882 -12.020 414 HE3 LYS 49 1HE LYS 49 -3.527 7.931 -12.326 415 HZ1 LYS 49 3HZ LYS 49 -3.456 9.976 -13.633 416 HZ2 LYS 49 1HZ LYS 49 -3.432 10.901 -12.221 417 HZ3 LYS 49 2HZ LYS 49 -4.792 9.964 -12.597 418 H ILE 50 H ILE 50 -7.495 5.556 -9.012 419 HA ILE 50 HA ILE 50 -7.700 3.450 -10.914 420 HB ILE 50 HB ILE 50 -8.655 3.458 -8.041 421 HG12 ILE 50 2HG1 ILE 50 -5.954 2.628 -9.121 422 HG13 ILE 50 1HG1 ILE 50 -6.271 4.145 -8.286 423 HG21 ILE 50 1HG2 ILE 50 -7.862 1.196 -9.871 424 HG22 ILE 50 2HG2 ILE 50 -9.499 1.586 -9.343 425 HG23 ILE 50 3HG2 ILE 50 -8.301 1.037 -8.171 426 HD11 ILE 50 3HD1 ILE 50 -5.302 2.624 -6.737 427 HD12 ILE 50 1HD1 ILE 50 -6.467 1.367 -7.156 428 HD13 ILE 50 2HD1 ILE 50 -7.000 2.819 -6.313 429 H LYS 51 H LYS 51 -10.058 5.222 -8.946 430 HA LYS 51 HA LYS 51 -12.344 3.836 -9.868 431 HB2 LYS 51 2HB LYS 51 -12.096 6.606 -8.694 432 HB3 LYS 51 1HB LYS 51 -13.615 5.759 -8.936 433 HG2 LYS 51 2HG LYS 51 -11.365 4.871 -7.135 434 HG3 LYS 51 1HG LYS 51 -12.866 5.639 -6.617 435 HD2 LYS 51 2HD LYS 51 -12.658 2.979 -8.041 436 HD3 LYS 51 1HD LYS 51 -12.915 3.195 -6.311 437 HE2 LYS 51 2HE LYS 51 -15.021 4.375 -6.783 438 HE3 LYS 51 1HE LYS 51 -14.763 4.130 -8.509 439 HZ1 LYS 51 3HZ LYS 51 -16.274 2.493 -7.570 440 HZ2 LYS 51 1HZ LYS 51 -15.074 1.966 -6.505 441 HZ3 LYS 51 2HZ LYS 51 -14.875 1.757 -8.165 442 H SER 52 H SER 52 -10.779 6.816 -10.942 443 HA SER 52 HA SER 52 -12.713 7.425 -12.931 444 HB2 SER 52 2HB SER 52 -11.191 9.127 -11.979 445 HB3 SER 52 1HB SER 52 -9.819 8.306 -12.711 446 HG SER 52 HG SER 52 -12.005 9.226 -14.254 447 H GLY 53 H GLY 53 -10.030 5.260 -12.777 448 HA2 GLY 53 2HA GLY 53 -9.481 3.560 -14.245 449 HA3 GLY 53 1HA GLY 53 -10.691 4.177 -15.362 450 H GLU 54 H GLU 54 -8.082 6.056 -13.971 451 HA GLU 54 HA GLU 54 -7.273 6.904 -16.594 452 HB2 GLU 54 2HB GLU 54 -5.931 7.475 -13.953 453 HB3 GLU 54 1HB GLU 54 -5.709 8.351 -15.459 454 HG2 GLU 54 2HG GLU 54 -8.092 9.017 -15.355 455 HG3 GLU 54 1HG GLU 54 -8.185 8.248 -13.771 456 H GLU 55 H GLU 55 -5.594 5.296 -13.903 457 HA GLU 55 HA GLU 55 -3.927 3.927 -15.867 458 HB2 GLU 55 2HB GLU 55 -2.898 5.387 -13.433 459 HB3 GLU 55 1HB GLU 55 -1.933 4.308 -14.429 460 HG2 GLU 55 2HG GLU 55 -2.314 5.787 -16.359 461 HG3 GLU 55 1HG GLU 55 -3.214 6.885 -15.313 462 H ASP 56 H ASP 56 -2.459 2.325 -14.572 463 HA ASP 56 HA ASP 56 -4.305 0.561 -13.193 464 HB2 ASP 56 2HB ASP 56 -1.456 0.190 -14.126 465 HB3 ASP 56 1HB ASP 56 -2.393 -1.056 -13.316 466 H PHE 57 H PHE 57 -4.107 -0.131 -11.104 467 HA PHE 57 HA PHE 57 -2.824 1.496 -9.199 468 HB2 PHE 57 2HB PHE 57 -4.737 0.135 -8.573 469 HB3 PHE 57 1HB PHE 57 -3.878 -1.339 -8.997 470 HD1 PHE 57 1HD PHE 57 -3.682 1.573 -6.686 471 HD2 PHE 57 2HD PHE 57 -2.769 -2.527 -7.347 472 HE1 PHE 57 1HE PHE 57 -2.899 1.377 -4.364 473 HE2 PHE 57 2HE PHE 57 -1.981 -2.729 -5.026 474 HZ PHE 57 HZ PHE 57 -2.047 -0.777 -3.532 475 H GLU 58 H GLU 58 -1.925 -1.469 -10.813 476 HA GLU 58 HA GLU 58 0.374 -2.148 -9.391 477 HB2 GLU 58 2HB GLU 58 -0.183 -2.497 -12.343 478 HB3 GLU 58 1HB GLU 58 1.053 -3.350 -11.433 479 HG2 GLU 58 2HG GLU 58 -0.637 -4.462 -10.112 480 HG3 GLU 58 1HG GLU 58 -1.907 -3.540 -10.915 481 H SER 59 H SER 59 -0.037 -0.042 -12.219 482 HA SER 59 HA SER 59 2.690 0.603 -12.527 483 HB2 SER 59 2HB SER 59 0.945 0.917 -14.291 484 HB3 SER 59 1HB SER 59 0.291 2.259 -13.355 485 HG SER 59 HG SER 59 1.885 3.489 -13.983 486 H LEU 60 H LEU 60 0.023 2.220 -10.832 487 HA LEU 60 HA LEU 60 1.418 4.503 -10.010 488 HB2 LEU 60 2HB LEU 60 -0.862 3.059 -8.657 489 HB3 LEU 60 1HB LEU 60 -0.302 4.660 -8.220 490 HG LEU 60 HG LEU 60 -1.473 3.918 -10.904 491 HD11 LEU 60 1HD1 LEU 60 -2.700 5.416 -8.594 492 HD12 LEU 60 2HD1 LEU 60 -3.136 3.791 -9.123 493 HD13 LEU 60 3HD1 LEU 60 -3.433 5.172 -10.179 494 HD21 LEU 60 3HD2 LEU 60 -1.550 6.340 -11.265 495 HD22 LEU 60 1HD2 LEU 60 0.104 5.776 -11.030 496 HD23 LEU 60 2HD2 LEU 60 -0.742 6.595 -9.719 497 H ALA 61 H ALA 61 0.984 1.372 -8.407 498 HA ALA 61 HA ALA 61 2.414 2.066 -6.065 499 HB1 ALA 61 1HB ALA 61 2.375 -0.311 -5.554 500 HB2 ALA 61 2HB ALA 61 1.883 -0.673 -7.208 501 HB3 ALA 61 3HB ALA 61 0.800 0.223 -6.143 502 H SER 62 H SER 62 3.411 0.806 -9.169 503 HA SER 62 HA SER 62 5.986 -0.065 -8.310 504 HB2 SER 62 2HB SER 62 4.987 0.581 -11.090 505 HB3 SER 62 1HB SER 62 6.495 -0.251 -10.713 506 HG SER 62 HG SER 62 3.842 -1.123 -10.218 507 H GLN 63 H GLN 63 4.694 3.009 -9.139 508 HA GLN 63 HA GLN 63 7.419 4.055 -9.487 509 HB2 GLN 63 2HB GLN 63 4.823 5.045 -10.628 510 HB3 GLN 63 1HB GLN 63 6.333 5.943 -10.718 511 HG2 GLN 63 2HG GLN 63 7.356 4.203 -12.010 512 HG3 GLN 63 1HG GLN 63 5.946 3.168 -11.807 513 HE21 GLN 63 1HE2 GLN 63 4.039 5.316 -12.199 514 HE22 GLN 63 2HE2 GLN 63 4.067 5.678 -13.886 515 H PHE 64 H PHE 64 4.277 4.814 -8.001 516 HA PHE 64 HA PHE 64 5.613 7.013 -6.581 517 HB2 PHE 64 2HB PHE 64 2.698 6.598 -7.233 518 HB3 PHE 64 1HB PHE 64 3.315 7.915 -6.241 519 HD1 PHE 64 1HD PHE 64 4.689 9.681 -7.237 520 HD2 PHE 64 2HD PHE 64 2.946 6.610 -9.611 521 HE1 PHE 64 1HE PHE 64 5.094 11.020 -9.261 522 HE2 PHE 64 2HE PHE 64 3.350 7.942 -11.637 523 HZ PHE 64 HZ PHE 64 4.425 10.150 -11.465 524 H SER 65 H SER 65 5.992 4.436 -5.586 525 HA SER 65 HA SER 65 4.596 4.712 -3.024 526 HB2 SER 65 2HB SER 65 3.602 2.815 -4.247 527 HB3 SER 65 1HB SER 65 5.199 2.088 -4.414 528 HG SER 65 HG SER 65 4.678 2.725 -1.839 529 H ASP 66 H ASP 66 5.890 4.700 -1.294 530 HA ASP 66 HA ASP 66 8.756 4.520 -1.698 531 HB2 ASP 66 2HB ASP 66 7.283 4.941 0.903 532 HB3 ASP 66 1HB ASP 66 8.966 5.310 0.568 533 H CYS 67 H CYS 67 8.815 2.237 -2.214 534 HA CYS 67 HA CYS 67 9.359 0.628 0.064 535 HB2 CYS 67 2HB CYS 67 6.845 0.537 -0.033 536 HB3 CYS 67 1HB CYS 67 6.988 -0.226 -1.610 537 HG CYS 67 HG CYS 67 8.503 -1.622 1.103 538 H SER 68 H SER 68 10.442 -1.298 -0.493 539 HA SER 68 HA SER 68 11.725 -1.245 -3.036 540 HB2 SER 68 2HB SER 68 11.798 -3.371 -0.885 541 HB3 SER 68 1HB SER 68 12.925 -3.223 -2.233 542 HG SER 68 HG SER 68 12.924 -0.881 -1.088 543 H SER 69 H SER 69 8.915 -2.793 -1.792 544 HA SER 69 HA SER 69 8.863 -4.929 -3.700 545 HB2 SER 69 2HB SER 69 6.544 -5.316 -2.873 546 HB3 SER 69 1HB SER 69 7.739 -5.256 -1.579 547 HG SER 69 HG SER 69 7.073 -3.149 -1.112 548 H ALA 70 H ALA 70 8.314 -1.656 -3.954 549 HA ALA 70 HA ALA 70 6.103 -1.431 -5.636 550 HB1 ALA 70 1HB ALA 70 7.052 0.701 -6.332 551 HB2 ALA 70 2HB ALA 70 8.610 0.245 -5.647 552 HB3 ALA 70 3HB ALA 70 7.219 0.483 -4.590 553 H LYS 71 H LYS 71 9.432 -2.329 -6.335 554 HA LYS 71 HA LYS 71 9.227 -2.159 -9.163 555 HB2 LYS 71 2HB LYS 71 11.313 -3.464 -9.200 556 HB3 LYS 71 1HB LYS 71 11.398 -2.133 -8.056 557 HG2 LYS 71 2HG LYS 71 10.911 -3.731 -6.229 558 HG3 LYS 71 1HG LYS 71 10.966 -5.041 -7.410 559 HD2 LYS 71 2HD LYS 71 13.283 -4.508 -7.924 560 HD3 LYS 71 1HD LYS 71 13.233 -3.140 -6.810 561 HE2 LYS 71 2HE LYS 71 12.757 -4.710 -4.962 562 HE3 LYS 71 1HE LYS 71 12.906 -6.052 -6.094 563 HZ1 LYS 71 3HZ LYS 71 14.933 -5.673 -4.817 564 HZ2 LYS 71 1HZ LYS 71 15.055 -4.111 -5.451 565 HZ3 LYS 71 2HZ LYS 71 15.201 -5.455 -6.472 566 H ALA 72 H ALA 72 7.676 -4.181 -7.081 567 HA ALA 72 HA ALA 72 7.453 -6.337 -9.074 568 HB1 ALA 72 1HB ALA 72 6.781 -7.802 -7.231 569 HB2 ALA 72 2HB ALA 72 6.945 -6.462 -6.097 570 HB3 ALA 72 3HB ALA 72 8.367 -7.095 -6.924 571 H ARG 73 H ARG 73 6.051 -3.676 -8.768 572 HA ARG 73 HA ARG 73 4.007 -2.841 -9.302 573 HB2 ARG 73 2HB ARG 73 3.158 -5.734 -9.417 574 HB3 ARG 73 1HB ARG 73 2.121 -4.383 -9.848 575 HG2 ARG 73 2HG ARG 73 3.656 -3.773 -11.637 576 HG3 ARG 73 1HG ARG 73 4.708 -5.117 -11.186 577 HD2 ARG 73 2HD ARG 73 2.987 -6.708 -11.712 578 HD3 ARG 73 1HD ARG 73 1.832 -5.414 -12.023 579 HE ARG 73 HE ARG 73 4.223 -5.412 -13.662 580 HH11 ARG 73 1HH1 ARG 73 0.841 -6.322 -13.348 581 HH12 ARG 73 2HH1 ARG 73 0.617 -6.541 -15.052 582 HH21 ARG 73 1HH2 ARG 73 3.912 -5.703 -15.928 583 HH22 ARG 73 2HH2 ARG 73 2.357 -6.183 -16.520 584 H GLY 74 H GLY 74 4.824 -4.094 -6.509 585 HA2 GLY 74 2HA GLY 74 3.978 -3.515 -4.414 586 HA3 GLY 74 1HA GLY 74 2.471 -3.035 -5.182 587 H ASP 75 H ASP 75 2.930 -5.859 -6.550 588 HA ASP 75 HA ASP 75 1.106 -7.240 -4.809 589 HB2 ASP 75 2HB ASP 75 1.037 -7.409 -7.305 590 HB3 ASP 75 1HB ASP 75 2.559 -8.289 -7.242 591 H LEU 76 H LEU 76 1.611 -8.615 -3.240 592 HA LEU 76 HA LEU 76 4.449 -9.280 -2.889 593 HB2 LEU 76 2HB LEU 76 2.162 -9.385 -0.934 594 HB3 LEU 76 1HB LEU 76 3.824 -9.794 -0.563 595 HG LEU 76 HG LEU 76 2.838 -7.064 -1.384 596 HD11 LEU 76 1HD1 LEU 76 3.735 -8.122 1.289 597 HD12 LEU 76 2HD1 LEU 76 2.080 -7.710 0.838 598 HD13 LEU 76 3HD1 LEU 76 3.310 -6.449 0.928 599 HD21 LEU 76 3HD2 LEU 76 5.100 -6.330 -0.749 600 HD22 LEU 76 1HD2 LEU 76 5.126 -7.448 -2.113 601 HD23 LEU 76 2HD2 LEU 76 5.564 -8.014 -0.502 602 H GLY 77 H GLY 77 1.969 -10.688 -4.355 603 HA2 GLY 77 2HA GLY 77 1.492 -12.868 -4.901 604 HA3 GLY 77 1HA GLY 77 2.990 -13.318 -4.092 605 H ALA 78 H ALA 78 1.843 -15.182 -3.289 606 HA ALA 78 HA ALA 78 -0.268 -14.721 -1.371 607 HB1 ALA 78 1HB ALA 78 -0.241 -17.148 -1.069 608 HB2 ALA 78 2HB ALA 78 1.206 -17.264 -2.069 609 HB3 ALA 78 3HB ALA 78 -0.316 -16.728 -2.780 610 H PHE 79 H PHE 79 0.249 -13.926 0.533 611 HA PHE 79 HA PHE 79 2.790 -14.757 1.754 612 HB2 PHE 79 2HB PHE 79 2.653 -12.617 3.053 613 HB3 PHE 79 1HB PHE 79 2.853 -12.398 1.320 614 HD1 PHE 79 2HD PHE 79 0.452 -12.177 4.116 615 HD2 PHE 79 1HD PHE 79 1.204 -11.287 0.022 616 HE1 PHE 79 2HE PHE 79 -1.521 -10.710 4.076 617 HE2 PHE 79 1HE PHE 79 -0.763 -9.819 -0.024 618 HZ PHE 79 HZ PHE 79 -2.131 -9.528 2.004 619 H SER 80 H SER 80 2.847 -15.122 3.992 620 HA SER 80 HA SER 80 0.430 -16.294 5.029 621 HB2 SER 80 2HB SER 80 3.159 -16.015 6.314 622 HB3 SER 80 1HB SER 80 1.847 -17.060 6.855 623 HG SER 80 HG SER 80 3.257 -18.294 5.669 624 H ARG 81 H ARG 81 -0.816 -15.497 6.636 625 HA ARG 81 HA ARG 81 -0.980 -12.776 7.119 626 HB2 ARG 81 2HB ARG 81 -2.482 -13.372 9.028 627 HB3 ARG 81 1HB ARG 81 -2.890 -14.166 7.515 628 HG2 ARG 81 2HG ARG 81 -1.804 -16.208 8.297 629 HG3 ARG 81 1HG ARG 81 -1.399 -15.409 9.816 630 HD2 ARG 81 2HD ARG 81 -3.805 -15.078 10.248 631 HD3 ARG 81 1HD ARG 81 -4.171 -15.939 8.752 632 HE ARG 81 HE ARG 81 -2.518 -17.414 10.589 633 HH11 ARG 81 1HH1 ARG 81 -5.825 -16.684 9.657 634 HH12 ARG 81 2HH1 ARG 81 -6.470 -18.130 10.344 635 HH21 ARG 81 1HH2 ARG 81 -3.370 -19.328 11.495 636 HH22 ARG 81 2HH2 ARG 81 -5.071 -19.634 11.408 637 H GLY 82 H GLY 82 0.586 -15.250 9.127 638 HA2 GLY 82 2HA GLY 82 1.257 -13.536 11.272 639 HA3 GLY 82 1HA GLY 82 2.009 -15.081 10.914 640 H GLN 83 H GLN 83 2.617 -13.872 8.154 641 HA GLN 83 HA GLN 83 5.183 -12.730 8.955 642 HB2 GLN 83 2HB GLN 83 5.038 -14.634 7.315 643 HB3 GLN 83 1HB GLN 83 4.225 -13.549 6.203 644 HG2 GLN 83 2HG GLN 83 6.516 -13.709 5.563 645 HG3 GLN 83 1HG GLN 83 6.241 -12.100 6.230 646 HE21 GLN 83 1HE2 GLN 83 7.764 -15.171 6.695 647 HE22 GLN 83 2HE2 GLN 83 8.798 -14.696 7.996 648 H MET 84 H MET 84 2.189 -11.612 8.329 649 HA MET 84 HA MET 84 3.106 -9.285 6.801 650 HB2 MET 84 2HB MET 84 1.292 -10.595 5.785 651 HB3 MET 84 1HB MET 84 0.306 -10.342 7.215 652 HG2 MET 84 2HG MET 84 -0.244 -8.900 5.261 653 HG3 MET 84 1HG MET 84 0.078 -8.036 6.763 654 HE1 MET 84 3HE MET 84 3.162 -8.363 3.334 655 HE2 MET 84 1HE MET 84 1.574 -9.127 3.280 656 HE3 MET 84 2HE MET 84 2.785 -9.691 4.431 657 H GLN 85 H GLN 85 2.177 -7.203 7.358 658 HA GLN 85 HA GLN 85 2.519 -6.507 10.065 659 HB2 GLN 85 2HB GLN 85 1.130 -4.961 7.866 660 HB3 GLN 85 1HB GLN 85 1.739 -4.288 9.371 661 HG2 GLN 85 2HG GLN 85 4.000 -4.753 8.728 662 HG3 GLN 85 1HG GLN 85 3.458 -5.615 7.290 663 HE21 GLN 85 1HE2 GLN 85 5.215 -3.314 7.556 664 HE22 GLN 85 2HE2 GLN 85 4.510 -2.051 6.611 665 H LYS 86 H LYS 86 1.022 -5.973 11.655 666 HA LYS 86 HA LYS 86 -1.295 -7.534 11.741 667 HB2 LYS 86 2HB LYS 86 -0.645 -5.159 13.505 668 HB3 LYS 86 1HB LYS 86 -1.827 -6.409 13.843 669 HG2 LYS 86 2HG LYS 86 1.122 -6.905 13.517 670 HG3 LYS 86 1HG LYS 86 0.304 -6.684 15.063 671 HD2 LYS 86 2HD LYS 86 -1.038 -8.651 14.687 672 HD3 LYS 86 1HD LYS 86 -0.385 -8.829 13.058 673 HE2 LYS 86 2HE LYS 86 0.669 -10.384 14.631 674 HE3 LYS 86 1HE LYS 86 1.831 -9.238 13.968 675 HZ1 LYS 86 3HZ LYS 86 1.712 -7.970 16.002 676 HZ2 LYS 86 1HZ LYS 86 2.102 -9.577 16.357 677 HZ3 LYS 86 2HZ LYS 86 0.534 -9.005 16.629 678 HA PRO 87 HA PRO 87 -3.964 -3.526 11.016 679 HB2 PRO 87 2HB PRO 87 -2.108 -1.773 9.517 680 HB3 PRO 87 1HB PRO 87 -3.234 -1.360 10.815 681 HG2 PRO 87 2HG PRO 87 -0.600 -1.397 11.249 682 HG3 PRO 87 1HG PRO 87 -1.743 -1.962 12.481 683 HD2 PRO 87 2HD PRO 87 -0.070 -3.558 10.576 684 HD3 PRO 87 1HD PRO 87 -0.371 -3.826 12.304 685 H PHE 88 H PHE 88 -1.468 -4.521 8.800 686 HA PHE 88 HA PHE 88 -2.995 -4.078 6.421 687 HB2 PHE 88 2HB PHE 88 -0.459 -4.136 6.585 688 HB3 PHE 88 1HB PHE 88 -0.592 -5.882 6.749 689 HD1 PHE 88 1HD PHE 88 -1.345 -7.245 4.856 690 HD2 PHE 88 2HD PHE 88 -0.777 -3.051 4.487 691 HE1 PHE 88 1HE PHE 88 -1.332 -7.470 2.410 692 HE2 PHE 88 2HE PHE 88 -0.769 -3.265 2.040 693 HZ PHE 88 HZ PHE 88 -1.047 -5.484 0.998 694 H GLU 89 H GLU 89 -2.043 -6.912 8.327 695 HA GLU 89 HA GLU 89 -3.304 -8.938 6.910 696 HB2 GLU 89 2HB GLU 89 -1.760 -9.355 8.748 697 HB3 GLU 89 1HB GLU 89 -2.888 -8.642 9.890 698 HG2 GLU 89 2HG GLU 89 -4.501 -10.488 9.147 699 HG3 GLU 89 1HG GLU 89 -3.076 -11.257 8.448 700 H ASP 90 H ASP 90 -4.535 -7.024 9.620 701 HA ASP 90 HA ASP 90 -7.009 -8.145 10.009 702 HB2 ASP 90 2HB ASP 90 -6.084 -6.437 11.470 703 HB3 ASP 90 1HB ASP 90 -6.246 -5.230 10.201 704 H ALA 91 H ALA 91 -6.183 -5.583 7.715 705 HA ALA 91 HA ALA 91 -8.891 -5.383 6.780 706 HB1 ALA 91 1HB ALA 91 -8.007 -3.735 5.206 707 HB2 ALA 91 2HB ALA 91 -6.365 -4.146 5.707 708 HB3 ALA 91 3HB ALA 91 -7.478 -3.410 6.856 709 H SER 92 H SER 92 -5.856 -6.712 5.495 710 HA SER 92 HA SER 92 -6.714 -7.279 2.907 711 HB2 SER 92 2HB SER 92 -4.721 -8.846 4.551 712 HB3 SER 92 1HB SER 92 -4.856 -8.853 2.792 713 HG SER 92 HG SER 92 -4.084 -6.730 4.491 714 H PHE 93 H PHE 93 -6.844 -9.374 5.783 715 HA PHE 93 HA PHE 93 -8.070 -11.486 4.272 716 HB2 PHE 93 2HB PHE 93 -7.455 -11.171 7.203 717 HB3 PHE 93 1HB PHE 93 -8.297 -12.577 6.555 718 HD1 PHE 93 1HD PHE 93 -5.122 -10.695 6.485 719 HD2 PHE 93 2HD PHE 93 -7.130 -14.289 5.414 720 HE1 PHE 93 1HE PHE 93 -2.964 -11.725 5.911 721 HE2 PHE 93 2HE PHE 93 -4.974 -15.326 4.841 722 HZ PHE 93 HZ PHE 93 -2.888 -14.044 5.087 723 H ALA 94 H ALA 94 -9.225 -8.676 5.648 724 HA ALA 94 HA ALA 94 -11.874 -9.720 6.222 725 HB1 ALA 94 1HB ALA 94 -12.444 -7.401 6.767 726 HB2 ALA 94 2HB ALA 94 -10.862 -6.874 6.193 727 HB3 ALA 94 3HB ALA 94 -10.984 -7.909 7.615 728 H LEU 95 H LEU 95 -10.080 -8.504 3.625 729 HA LEU 95 HA LEU 95 -12.385 -7.674 2.070 730 HB2 LEU 95 2HB LEU 95 -9.496 -7.925 1.238 731 HB3 LEU 95 1HB LEU 95 -10.771 -7.135 0.337 732 HG LEU 95 HG LEU 95 -9.622 -6.204 2.964 733 HD11 LEU 95 1HD1 LEU 95 -9.364 -5.085 0.179 734 HD12 LEU 95 2HD1 LEU 95 -8.103 -5.930 1.077 735 HD13 LEU 95 3HD1 LEU 95 -8.700 -4.375 1.650 736 HD21 LEU 95 3HD2 LEU 95 -10.982 -4.197 2.608 737 HD22 LEU 95 1HD2 LEU 95 -11.985 -5.636 2.782 738 HD23 LEU 95 2HD2 LEU 95 -11.708 -4.942 1.185 739 H ARG 96 H ARG 96 -12.648 -8.587 -0.100 740 HA ARG 96 HA ARG 96 -12.186 -11.497 -0.086 741 HB2 ARG 96 2HB ARG 96 -14.113 -11.706 -1.473 742 HB3 ARG 96 1HB ARG 96 -14.550 -10.592 -0.185 743 HG2 ARG 96 2HG ARG 96 -13.769 -8.799 -1.959 744 HG3 ARG 96 1HG ARG 96 -14.177 -10.095 -3.085 745 HD2 ARG 96 2HD ARG 96 -16.133 -8.807 -2.849 746 HD3 ARG 96 1HD ARG 96 -16.393 -10.253 -1.872 747 HE ARG 96 HE ARG 96 -15.272 -8.107 -0.351 748 HH11 ARG 96 1HH1 ARG 96 -18.281 -9.371 -1.638 749 HH12 ARG 96 2HH1 ARG 96 -19.270 -8.553 -0.477 750 HH21 ARG 96 1HH2 ARG 96 -16.589 -7.022 1.184 751 HH22 ARG 96 2HH2 ARG 96 -18.309 -7.210 1.133 752 H THR 97 H THR 97 -11.939 -12.410 -2.393 753 HA THR 97 HA THR 97 -9.676 -11.314 -3.614 754 HB THR 97 HB THR 97 -11.715 -13.233 -4.766 755 HG1 THR 97 1HG THR 97 -9.210 -13.661 -3.449 756 HG21 THR 97 3HG2 THR 97 -9.838 -13.935 -6.248 757 HG22 THR 97 1HG2 THR 97 -8.898 -12.572 -5.642 758 HG23 THR 97 2HG2 THR 97 -10.378 -12.284 -6.555 759 H GLY 98 H GLY 98 -9.492 -9.553 -4.830 760 HA2 GLY 98 2HA GLY 98 -9.969 -8.104 -6.579 761 HA3 GLY 98 1HA GLY 98 -11.520 -8.906 -6.792 762 H GLU 99 H GLU 99 -10.090 -7.393 -3.928 763 HA GLU 99 HA GLU 99 -12.091 -5.291 -4.050 764 HB2 GLU 99 2HB GLU 99 -13.155 -7.030 -2.739 765 HB3 GLU 99 1HB GLU 99 -11.745 -7.158 -1.700 766 HG2 GLU 99 2HG GLU 99 -12.150 -4.989 -0.785 767 HG3 GLU 99 1HG GLU 99 -13.431 -4.684 -1.955 768 H MET 100 H MET 100 -11.528 -3.417 -2.952 769 HA MET 100 HA MET 100 -8.772 -3.318 -1.923 770 HB2 MET 100 2HB MET 100 -8.937 -2.293 -4.148 771 HB3 MET 100 1HB MET 100 -10.231 -1.253 -3.579 772 HG2 MET 100 2HG MET 100 -8.687 -0.173 -2.029 773 HG3 MET 100 1HG MET 100 -7.387 -1.222 -2.592 774 HE1 MET 100 3HE MET 100 -10.252 0.500 -4.726 775 HE2 MET 100 1HE MET 100 -9.447 1.998 -5.189 776 HE3 MET 100 2HE MET 100 -9.839 1.694 -3.496 777 H SER 101 H SER 101 -8.509 -2.343 0.015 778 HA SER 101 HA SER 101 -10.862 -1.542 1.466 779 HB2 SER 101 2HB SER 101 -9.155 -1.138 3.316 780 HB3 SER 101 1HB SER 101 -9.265 -2.791 2.716 781 HG SER 101 HG SER 101 -7.090 -1.670 2.960 782 H GLY 102 H GLY 102 -7.728 0.088 1.156 783 HA2 GLY 102 2HA GLY 102 -8.077 2.354 -0.076 784 HA3 GLY 102 1HA GLY 102 -9.122 2.650 1.310 785 HA PRO 103 HA PRO 103 -5.069 4.178 2.694 786 HB2 PRO 103 2HB PRO 103 -6.632 5.888 4.467 787 HB3 PRO 103 1HB PRO 103 -5.535 6.352 3.165 788 HG2 PRO 103 2HG PRO 103 -8.224 6.688 3.015 789 HG3 PRO 103 1HG PRO 103 -7.210 6.389 1.592 790 HD2 PRO 103 2HD PRO 103 -8.937 4.485 3.126 791 HD3 PRO 103 1HD PRO 103 -8.709 4.640 1.370 792 H VAL 104 H VAL 104 -4.494 2.314 3.848 793 HA VAL 104 HA VAL 104 -5.648 1.977 6.509 794 HB VAL 104 HB VAL 104 -3.604 0.266 5.060 795 HG11 VAL 104 1HG1 VAL 104 -5.139 -0.260 7.605 796 HG12 VAL 104 2HG1 VAL 104 -3.413 0.081 7.485 797 HG13 VAL 104 3HG1 VAL 104 -4.069 -1.404 6.794 798 HG21 VAL 104 3HG2 VAL 104 -5.445 -1.322 4.740 799 HG22 VAL 104 1HG2 VAL 104 -5.779 0.220 3.952 800 HG23 VAL 104 2HG2 VAL 104 -6.561 -0.177 5.482 801 H PHE 105 H PHE 105 -4.795 3.258 7.994 802 HA PHE 105 HA PHE 105 -2.187 4.393 7.779 803 HB2 PHE 105 2HB PHE 105 -4.133 4.356 10.096 804 HB3 PHE 105 1HB PHE 105 -2.655 5.310 10.045 805 HD1 PHE 105 2HD PHE 105 -2.464 7.220 8.528 806 HD2 PHE 105 1HD PHE 105 -6.083 5.007 8.868 807 HE1 PHE 105 2HE PHE 105 -3.683 9.051 7.426 808 HE2 PHE 105 1HE PHE 105 -7.308 6.833 7.766 809 HZ PHE 105 HZ PHE 105 -6.108 8.858 7.045 810 H THR 106 H THR 106 -0.394 3.283 8.103 811 HA THR 106 HA THR 106 -0.399 1.205 10.180 812 HB THR 106 HB THR 106 1.630 1.151 7.989 813 HG1 THR 106 1HG THR 106 -0.989 1.305 7.486 814 HG21 THR 106 3HG2 THR 106 1.382 -1.237 8.250 815 HG22 THR 106 1HG2 THR 106 -0.061 -1.019 9.240 816 HG23 THR 106 2HG2 THR 106 1.509 -0.522 9.858 817 H ASP 107 H ASP 107 2.530 0.904 9.976 818 HA ASP 107 HA ASP 107 3.197 3.001 11.831 819 HB2 ASP 107 2HB ASP 107 3.875 0.660 12.234 820 HB3 ASP 107 1HB ASP 107 4.919 0.738 10.818 821 H SER 108 H SER 108 5.018 1.758 9.018 822 HA SER 108 HA SER 108 6.658 4.037 8.843 823 HB2 SER 108 2HB SER 108 7.345 1.889 7.903 824 HB3 SER 108 1HB SER 108 6.042 1.974 6.716 825 HG SER 108 HG SER 108 7.631 4.200 6.746 826 H GLY 109 H GLY 109 3.546 3.322 7.432 827 HA2 GLY 109 2HA GLY 109 3.019 5.997 6.823 828 HA3 GLY 109 1HA GLY 109 3.588 5.207 5.359 829 H ILE 110 H ILE 110 1.511 5.684 4.498 830 HA ILE 110 HA ILE 110 -0.706 4.139 5.606 831 HB ILE 110 HB ILE 110 -0.732 6.089 3.289 832 HG12 ILE 110 2HG1 ILE 110 -1.524 6.560 6.174 833 HG13 ILE 110 1HG1 ILE 110 -0.041 7.149 5.432 834 HG21 ILE 110 1HG2 ILE 110 -2.962 4.893 4.939 835 HG22 ILE 110 2HG2 ILE 110 -2.591 4.519 3.256 836 HG23 ILE 110 3HG2 ILE 110 -3.164 6.128 3.696 837 HD11 ILE 110 3HD1 ILE 110 -1.729 8.890 5.575 838 HD12 ILE 110 1HD1 ILE 110 -2.836 7.905 4.620 839 HD13 ILE 110 2HD1 ILE 110 -1.346 8.511 3.895 840 H HIS 111 H HIS 111 -1.506 2.368 4.621 841 HA HIS 111 HA HIS 111 -0.161 1.514 2.140 842 HB2 HIS 111 2HB HIS 111 -1.182 -0.142 4.457 843 HB3 HIS 111 1HB HIS 111 -0.672 -0.828 2.924 844 HD1 HIS 111 1HD HIS 111 1.581 -1.810 3.149 845 HD2 HIS 111 2HD HIS 111 1.176 1.592 5.490 846 HE1 HIS 111 1HE HIS 111 3.791 -1.514 4.285 847 HE2 HIS 111 2HE HIS 111 3.410 0.357 5.907 848 H ILE 112 H ILE 112 -1.392 1.030 0.441 849 HA ILE 112 HA ILE 112 -4.312 0.906 0.784 850 HB ILE 112 HB ILE 112 -2.718 1.079 -1.796 851 HG12 ILE 112 2HG1 ILE 112 -4.170 3.279 -0.304 852 HG13 ILE 112 1HG1 ILE 112 -2.422 3.107 -0.419 853 HG21 ILE 112 1HG2 ILE 112 -5.666 1.452 -1.255 854 HG22 ILE 112 2HG2 ILE 112 -4.922 0.083 -2.080 855 HG23 ILE 112 3HG2 ILE 112 -4.872 1.686 -2.813 856 HD11 ILE 112 3HD1 ILE 112 -4.317 3.644 -2.697 857 HD12 ILE 112 1HD1 ILE 112 -2.577 3.414 -2.853 858 HD13 ILE 112 2HD1 ILE 112 -3.204 4.796 -1.960 859 H ILE 113 H ILE 113 -5.368 -1.009 0.474 860 HA ILE 113 HA ILE 113 -3.682 -3.299 -0.287 861 HB ILE 113 HB ILE 113 -6.105 -3.353 1.512 862 HG12 ILE 113 2HG1 ILE 113 -3.176 -3.520 2.253 863 HG13 ILE 113 1HG1 ILE 113 -4.197 -2.109 2.502 864 HG21 ILE 113 1HG2 ILE 113 -4.031 -5.454 0.878 865 HG22 ILE 113 2HG2 ILE 113 -5.710 -5.451 0.338 866 HG23 ILE 113 3HG2 ILE 113 -5.335 -5.623 2.054 867 HD11 ILE 113 3HD1 ILE 113 -3.930 -3.361 4.551 868 HD12 ILE 113 1HD1 ILE 113 -4.563 -4.811 3.770 869 HD13 ILE 113 2HD1 ILE 113 -5.608 -3.410 4.007 870 H LEU 114 H LEU 114 -4.178 -4.218 -2.125 871 HA LEU 114 HA LEU 114 -7.003 -4.382 -2.938 872 HB2 LEU 114 2HB LEU 114 -5.929 -2.820 -4.425 873 HB3 LEU 114 1HB LEU 114 -4.565 -3.895 -4.654 874 HG LEU 114 HG LEU 114 -6.045 -5.486 -5.848 875 HD11 LEU 114 1HD1 LEU 114 -8.159 -4.860 -4.793 876 HD12 LEU 114 2HD1 LEU 114 -8.259 -4.796 -6.552 877 HD13 LEU 114 3HD1 LEU 114 -8.107 -3.306 -5.625 878 HD21 LEU 114 3HD2 LEU 114 -6.282 -4.155 -7.889 879 HD22 LEU 114 1HD2 LEU 114 -4.731 -3.866 -7.101 880 HD23 LEU 114 2HD2 LEU 114 -6.028 -2.681 -6.955 881 H ARG 115 H ARG 115 -7.587 -6.451 -2.670 882 HA ARG 115 HA ARG 115 -5.677 -8.560 -2.581 883 HB2 ARG 115 2HB ARG 115 -8.674 -8.522 -2.540 884 HB3 ARG 115 1HB ARG 115 -7.796 -10.036 -2.674 885 HG2 ARG 115 2HG ARG 115 -6.553 -9.298 -0.570 886 HG3 ARG 115 1HG ARG 115 -7.824 -8.083 -0.404 887 HD2 ARG 115 2HD ARG 115 -8.314 -10.121 0.887 888 HD3 ARG 115 1HD ARG 115 -9.519 -9.821 -0.365 889 HE ARG 115 HE ARG 115 -7.717 -11.502 -1.547 890 HH11 ARG 115 1HH1 ARG 115 -9.722 -11.693 1.340 891 HH12 ARG 115 2HH1 ARG 115 -9.815 -13.424 1.287 892 HH21 ARG 115 1HH2 ARG 115 -7.879 -13.756 -1.621 893 HH22 ARG 115 2HH2 ARG 115 -8.762 -14.600 -0.389 894 H THR 116 H THR 116 -4.628 -9.233 -4.285 895 HA THR 116 HA THR 116 -5.640 -9.142 -6.941 896 HB THR 116 HB THR 116 -3.389 -10.929 -6.048 897 HG1 THR 116 1HG THR 116 -2.004 -9.068 -6.182 898 HG21 THR 116 3HG2 THR 116 -2.434 -10.277 -8.211 899 HG22 THR 116 1HG2 THR 116 -3.810 -9.212 -8.501 900 HG23 THR 116 2HG2 THR 116 -4.050 -10.957 -8.409 901 H GLU 117 H GLU 117 -4.951 -11.731 -4.614 902 HA GLU 117 HA GLU 117 -7.098 -13.331 -5.758 903 HB2 GLU 117 2HB GLU 117 -4.342 -14.455 -5.161 904 HB3 GLU 117 1HB GLU 117 -5.735 -15.362 -5.711 905 HG2 GLU 117 2HG GLU 117 -5.705 -14.081 -7.819 906 HG3 GLU 117 1HG GLU 117 -4.246 -13.262 -7.269 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -22.032 -23.113 6.903 2 H2 GLY 1 2HT GLY 1 -21.879 -24.569 7.733 3 H3 GLY 1 3HT GLY 1 -22.575 -24.546 6.188 4 HA2 GLY 1 1HA GLY 1 -20.336 -25.383 6.068 5 HA3 GLY 1 2HA GLY 1 -20.479 -23.840 5.237 6 H SER 2 H SER 2 -18.122 -23.853 5.570 7 HA SER 2 HA SER 2 -17.484 -22.665 8.180 8 HB2 SER 2 2HB SER 2 -15.735 -24.579 6.617 9 HB3 SER 2 1HB SER 2 -15.281 -23.757 8.109 10 HG SER 2 HG SER 2 -17.158 -25.813 7.696 11 H HIS 3 H HIS 3 -16.013 -20.970 8.132 12 HA HIS 3 HA HIS 3 -15.869 -19.569 5.645 13 HB2 HIS 3 2HB HIS 3 -14.784 -18.977 8.393 14 HB3 HIS 3 1HB HIS 3 -14.422 -17.953 7.009 15 HD1 HIS 3 1HD HIS 3 -16.807 -18.355 9.665 16 HD2 HIS 3 2HD HIS 3 -16.919 -16.936 5.763 17 HE1 HIS 3 1HE HIS 3 -18.907 -16.992 9.501 18 HE2 HIS 3 2HE HIS 3 -19.055 -16.341 7.077 19 H MET 4 H MET 4 -14.658 -20.554 4.185 20 HA MET 4 HA MET 4 -12.101 -21.686 4.806 21 HB2 MET 4 2HB MET 4 -13.427 -21.143 2.148 22 HB3 MET 4 1HB MET 4 -11.944 -22.059 2.365 23 HG2 MET 4 2HG MET 4 -13.136 -23.741 3.636 24 HG3 MET 4 1HG MET 4 -14.624 -22.806 3.512 25 HE1 MET 4 3HE MET 4 -15.382 -22.992 -0.330 26 HE2 MET 4 1HE MET 4 -14.389 -21.755 0.441 27 HE3 MET 4 2HE MET 4 -15.863 -22.318 1.226 28 H GLU 5 H GLU 5 -11.089 -19.862 5.721 29 HA GLU 5 HA GLU 5 -10.563 -17.585 4.025 30 HB2 GLU 5 2HB GLU 5 -10.890 -17.661 6.635 31 HB3 GLU 5 1HB GLU 5 -9.186 -18.090 6.641 32 HG2 GLU 5 2HG GLU 5 -9.369 -15.738 6.978 33 HG3 GLU 5 1HG GLU 5 -8.715 -16.014 5.364 34 HA PRO 6 HA PRO 6 -7.039 -19.532 2.160 35 HB2 PRO 6 2HB PRO 6 -5.822 -17.253 1.241 36 HB3 PRO 6 1HB PRO 6 -7.192 -18.032 0.440 37 HG2 PRO 6 2HG PRO 6 -7.171 -15.690 2.299 38 HG3 PRO 6 1HG PRO 6 -8.084 -15.917 0.797 39 HD2 PRO 6 2HD PRO 6 -9.226 -16.242 3.194 40 HD3 PRO 6 1HD PRO 6 -9.661 -17.270 1.813 41 H ALA 7 H ALA 7 -4.914 -19.920 2.610 42 HA ALA 7 HA ALA 7 -3.887 -18.803 5.078 43 HB1 ALA 7 1HB ALA 7 -2.154 -20.516 4.884 44 HB2 ALA 7 2HB ALA 7 -2.751 -20.948 3.282 45 HB3 ALA 7 3HB ALA 7 -3.759 -21.223 4.702 46 H ARG 8 H ARG 8 -3.228 -18.782 1.640 47 HA ARG 8 HA ARG 8 -1.356 -16.571 2.089 48 HB2 ARG 8 2HB ARG 8 -0.945 -18.957 0.309 49 HB3 ARG 8 1HB ARG 8 -0.147 -17.427 -0.010 50 HG2 ARG 8 2HG ARG 8 0.748 -17.595 2.370 51 HG3 ARG 8 1HG ARG 8 0.217 -19.279 2.313 52 HD2 ARG 8 2HD ARG 8 1.579 -19.646 0.319 53 HD3 ARG 8 1HD ARG 8 2.095 -17.961 0.356 54 HE ARG 8 HE ARG 8 2.655 -19.646 2.674 55 HH11 ARG 8 1HH1 ARG 8 3.855 -17.841 -0.100 56 HH12 ARG 8 2HH1 ARG 8 5.512 -18.010 0.353 57 HH21 ARG 8 1HH2 ARG 8 4.860 -19.865 3.267 58 HH22 ARG 8 2HH2 ARG 8 6.087 -19.162 2.271 59 H VAL 9 H VAL 9 -1.559 -14.892 0.742 60 HA VAL 9 HA VAL 9 -3.314 -15.194 -1.589 61 HB VAL 9 HB VAL 9 -4.212 -12.895 -1.173 62 HG11 VAL 9 1HG1 VAL 9 -4.804 -14.918 0.979 63 HG12 VAL 9 2HG1 VAL 9 -5.549 -14.841 -0.617 64 HG13 VAL 9 3HG1 VAL 9 -5.826 -13.547 0.549 65 HG21 VAL 9 3HG2 VAL 9 -4.039 -11.923 1.063 66 HG22 VAL 9 1HG2 VAL 9 -2.449 -12.087 0.320 67 HG23 VAL 9 2HG2 VAL 9 -2.966 -13.232 1.557 68 H ARG 10 H ARG 10 -2.799 -13.882 -3.338 69 HA ARG 10 HA ARG 10 -0.105 -12.749 -3.201 70 HB2 ARG 10 2HB ARG 10 -0.450 -14.421 -4.948 71 HB3 ARG 10 1HB ARG 10 -1.801 -13.493 -5.588 72 HG2 ARG 10 2HG ARG 10 -0.283 -11.653 -6.108 73 HG3 ARG 10 1HG ARG 10 1.064 -12.607 -5.494 74 HD2 ARG 10 2HD ARG 10 0.681 -14.282 -7.208 75 HD3 ARG 10 1HD ARG 10 -0.714 -13.377 -7.800 76 HE ARG 10 HE ARG 10 1.510 -11.686 -7.781 77 HH11 ARG 10 1HH1 ARG 10 0.355 -14.530 -9.486 78 HH12 ARG 10 2HH1 ARG 10 1.191 -14.148 -10.950 79 HH21 ARG 10 1HH2 ARG 10 2.614 -11.175 -9.715 80 HH22 ARG 10 2HH2 ARG 10 2.486 -12.219 -11.084 81 H CYS 11 H CYS 11 0.055 -10.623 -2.977 82 HA CYS 11 HA CYS 11 -1.976 -8.939 -4.234 83 HB2 CYS 11 2HB CYS 11 -1.084 -8.546 -1.376 84 HB3 CYS 11 1HB CYS 11 -2.299 -7.620 -2.247 85 HG CYS 11 HG CYS 11 -2.538 -10.667 -0.818 86 H SER 12 H SER 12 -1.346 -6.812 -4.605 87 HA SER 12 HA SER 12 1.539 -6.319 -4.524 88 HB2 SER 12 2HB SER 12 0.898 -4.512 -6.235 89 HB3 SER 12 1HB SER 12 0.762 -6.184 -6.776 90 HG SER 12 HG SER 12 -1.399 -6.067 -6.672 91 H HIS 13 H HIS 13 2.122 -3.970 -4.018 92 HA HIS 13 HA HIS 13 0.109 -2.616 -2.434 93 HB2 HIS 13 2HB HIS 13 1.270 -2.672 -0.325 94 HB3 HIS 13 1HB HIS 13 0.999 -4.317 -0.876 95 HD1 HIS 13 1HD HIS 13 3.324 -3.023 1.094 96 HD2 HIS 13 2HD HIS 13 3.754 -4.601 -2.728 97 HE1 HIS 13 1HE HIS 13 5.725 -3.709 0.915 98 HE2 HIS 13 2HE HIS 13 5.997 -4.581 -1.422 99 H LEU 14 H LEU 14 0.420 -0.527 -2.089 100 HA LEU 14 HA LEU 14 2.846 0.723 -3.178 101 HB2 LEU 14 2HB LEU 14 0.105 1.823 -2.557 102 HB3 LEU 14 1HB LEU 14 1.462 2.830 -2.995 103 HG LEU 14 HG LEU 14 0.371 0.678 -4.795 104 HD11 LEU 14 1HD1 LEU 14 -0.213 3.637 -4.782 105 HD12 LEU 14 2HD1 LEU 14 -1.360 2.350 -4.404 106 HD13 LEU 14 3HD1 LEU 14 -0.705 2.497 -6.034 107 HD21 LEU 14 3HD2 LEU 14 1.592 1.947 -6.501 108 HD22 LEU 14 1HD2 LEU 14 2.645 1.281 -5.254 109 HD23 LEU 14 2HD2 LEU 14 2.228 2.995 -5.232 110 H LEU 15 H LEU 15 4.131 1.952 -1.884 111 HA LEU 15 HA LEU 15 3.316 2.191 0.928 112 HB2 LEU 15 2HB LEU 15 5.052 0.534 0.780 113 HB3 LEU 15 1HB LEU 15 6.040 1.594 -0.206 114 HG LEU 15 HG LEU 15 6.313 3.116 1.717 115 HD11 LEU 15 1HD1 LEU 15 4.803 1.000 3.236 116 HD12 LEU 15 2HD1 LEU 15 4.258 2.644 2.905 117 HD13 LEU 15 3HD1 LEU 15 5.650 2.371 3.951 118 HD21 LEU 15 3HD2 LEU 15 7.774 1.646 3.040 119 HD22 LEU 15 1HD2 LEU 15 7.997 1.434 1.303 120 HD23 LEU 15 2HD2 LEU 15 7.075 0.247 2.225 121 H VAL 16 H VAL 16 3.052 4.211 1.493 122 HA VAL 16 HA VAL 16 4.796 6.226 0.274 123 HB VAL 16 HB VAL 16 1.944 6.642 1.218 124 HG11 VAL 16 1HG1 VAL 16 3.865 8.538 -0.132 125 HG12 VAL 16 2HG1 VAL 16 3.337 8.617 1.548 126 HG13 VAL 16 3HG1 VAL 16 2.177 8.882 0.246 127 HG21 VAL 16 3HG2 VAL 16 1.420 7.001 -1.155 128 HG22 VAL 16 1HG2 VAL 16 2.022 5.369 -0.862 129 HG23 VAL 16 2HG2 VAL 16 3.080 6.584 -1.579 130 H LYS 17 H LYS 17 6.304 6.480 1.755 131 HA LYS 17 HA LYS 17 5.787 6.419 4.585 132 HB2 LYS 17 2HB LYS 17 8.224 7.164 2.970 133 HB3 LYS 17 1HB LYS 17 8.193 7.164 4.723 134 HG2 LYS 17 2HG LYS 17 7.902 4.806 4.796 135 HG3 LYS 17 1HG LYS 17 7.604 4.731 3.056 136 HD2 LYS 17 2HD LYS 17 9.873 5.398 2.584 137 HD3 LYS 17 1HD LYS 17 10.189 5.674 4.297 138 HE2 LYS 17 2HE LYS 17 9.387 2.988 3.213 139 HE3 LYS 17 1HE LYS 17 11.068 3.511 3.287 140 HZ1 LYS 17 3HZ LYS 17 10.369 2.183 5.215 141 HZ2 LYS 17 1HZ LYS 17 9.260 3.386 5.640 142 HZ3 LYS 17 2HZ LYS 17 10.918 3.716 5.644 143 H HIS 18 H HIS 18 6.927 8.301 5.843 144 HA HIS 18 HA HIS 18 6.448 10.894 4.685 145 HB2 HIS 18 2HB HIS 18 5.100 11.683 6.654 146 HB3 HIS 18 1HB HIS 18 4.258 10.533 5.633 147 HD1 HIS 18 1HD HIS 18 4.258 11.317 8.962 148 HD2 HIS 18 2HD HIS 18 5.013 7.728 6.997 149 HE1 HIS 18 1HE HIS 18 3.753 9.516 10.628 150 HE2 HIS 18 2HE HIS 18 4.509 7.395 9.510 151 H SER 19 H SER 19 7.264 12.637 6.113 152 HA SER 19 HA SER 19 9.921 12.178 6.727 153 HB2 SER 19 2HB SER 19 8.871 14.399 6.261 154 HB3 SER 19 1HB SER 19 8.203 14.380 7.891 155 HG SER 19 HG SER 19 10.956 14.309 7.190 156 H GLN 20 H GLN 20 7.134 12.097 8.875 157 HA GLN 20 HA GLN 20 8.792 11.659 11.200 158 HB2 GLN 20 2HB GLN 20 5.783 11.429 11.050 159 HB3 GLN 20 1HB GLN 20 6.769 11.718 12.474 160 HG2 GLN 20 2HG GLN 20 5.981 13.825 12.112 161 HG3 GLN 20 1HG GLN 20 7.453 13.892 11.149 162 HE21 GLN 20 1HE2 GLN 20 5.051 15.474 10.876 163 HE22 GLN 20 2HE2 GLN 20 4.435 15.191 9.288 164 H SER 21 H SER 21 9.809 9.698 10.430 165 HA SER 21 HA SER 21 8.283 7.361 11.203 166 HB2 SER 21 2HB SER 21 9.496 7.597 8.438 167 HB3 SER 21 1HB SER 21 8.867 6.105 9.136 168 HG SER 21 HG SER 21 7.095 8.124 9.361 169 H ARG 22 H ARG 22 9.677 5.387 11.250 170 HA ARG 22 HA ARG 22 12.006 5.872 12.720 171 HB2 ARG 22 2HB ARG 22 12.429 3.450 12.559 172 HB3 ARG 22 1HB ARG 22 10.767 3.806 12.992 173 HG2 ARG 22 2HG ARG 22 10.081 3.379 10.675 174 HG3 ARG 22 1HG ARG 22 11.754 2.993 10.262 175 HD2 ARG 22 2HD ARG 22 11.740 1.141 11.825 176 HD3 ARG 22 1HD ARG 22 10.107 1.551 12.339 177 HE ARG 22 HE ARG 22 10.895 0.312 9.807 178 HH11 ARG 22 1HH1 ARG 22 8.362 1.540 11.887 179 HH12 ARG 22 2HH1 ARG 22 7.081 0.740 11.044 180 HH21 ARG 22 1HH2 ARG 22 9.198 -0.800 8.687 181 HH22 ARG 22 2HH2 ARG 22 7.567 -0.616 9.227 182 H ARG 23 H ARG 23 11.522 5.367 9.312 183 HA ARG 23 HA ARG 23 14.147 6.373 8.793 184 HB2 ARG 23 2HB ARG 23 14.563 3.939 9.150 185 HB3 ARG 23 1HB ARG 23 13.478 3.596 7.810 186 HG2 ARG 23 2HG ARG 23 15.714 3.469 7.006 187 HG3 ARG 23 1HG ARG 23 14.980 4.928 6.339 188 HD2 ARG 23 2HD ARG 23 16.061 6.222 8.185 189 HD3 ARG 23 1HD ARG 23 16.901 4.746 8.657 190 HE ARG 23 HE ARG 23 17.207 5.999 6.001 191 HH11 ARG 23 1HH1 ARG 23 18.608 4.502 8.866 192 HH12 ARG 23 2HH1 ARG 23 20.213 4.504 8.230 193 HH21 ARG 23 1HH2 ARG 23 19.351 6.001 5.172 194 HH22 ARG 23 2HH2 ARG 23 20.640 5.362 6.137 195 HA PRO 24 HA PRO 24 11.257 7.622 5.510 196 HB2 PRO 24 2HB PRO 24 12.751 10.101 5.433 197 HB3 PRO 24 1HB PRO 24 11.092 9.843 5.974 198 HG2 PRO 24 2HG PRO 24 13.142 10.545 7.647 199 HG3 PRO 24 1HG PRO 24 11.703 9.654 8.170 200 HD2 PRO 24 2HD PRO 24 14.437 8.628 7.514 201 HD3 PRO 24 1HD PRO 24 13.339 8.164 8.834 202 H SER 25 H SER 25 13.410 5.923 4.987 203 HA SER 25 HA SER 25 14.663 7.202 2.653 204 HB2 SER 25 2HB SER 25 15.793 4.931 4.302 205 HB3 SER 25 1HB SER 25 16.585 5.759 2.961 206 HG SER 25 HG SER 25 16.483 7.686 4.229 207 H SER 26 H SER 26 14.589 6.098 0.738 208 HA SER 26 HA SER 26 13.492 3.396 0.675 209 HB2 SER 26 2HB SER 26 11.722 4.029 -0.851 210 HB3 SER 26 1HB SER 26 11.583 4.997 0.620 211 H TRP 27 H TRP 27 13.074 3.178 -2.010 212 HA TRP 27 HA TRP 27 15.725 3.600 -3.134 213 HB2 TRP 27 2HB TRP 27 15.102 2.058 -4.854 214 HB3 TRP 27 1HB TRP 27 14.463 1.386 -3.359 215 HD1 TRP 27 HD TRP 27 11.711 1.854 -2.982 216 HE1 TRP 27 1HE TRP 27 9.837 1.836 -4.743 217 HE3 TRP 27 3HE TRP 27 14.552 2.465 -7.187 218 HZ2 TRP 27 2HZ TRP 27 9.599 2.042 -7.552 219 HZ3 TRP 27 3HZ TRP 27 13.424 2.540 -9.372 220 HH2 TRP 27 HH TRP 27 10.999 2.333 -9.548 221 H ARG 28 H ARG 28 12.985 5.289 -2.769 222 HA ARG 28 HA ARG 28 12.938 6.544 -5.402 223 HB2 ARG 28 2HB ARG 28 11.191 6.953 -2.967 224 HB3 ARG 28 1HB ARG 28 10.953 7.716 -4.531 225 HG2 ARG 28 2HG ARG 28 10.951 4.733 -4.200 226 HG3 ARG 28 1HG ARG 28 9.500 5.708 -3.967 227 HD2 ARG 28 2HD ARG 28 9.578 4.816 -6.222 228 HD3 ARG 28 1HD ARG 28 9.721 6.571 -6.245 229 HE ARG 28 HE ARG 28 12.224 5.117 -6.290 230 HH11 ARG 28 1HH1 ARG 28 9.699 6.672 -8.160 231 HH12 ARG 28 2HH1 ARG 28 10.677 6.846 -9.579 232 HH21 ARG 28 1HH2 ARG 28 13.539 5.372 -8.171 233 HH22 ARG 28 2HH2 ARG 28 12.861 6.094 -9.585 234 H GLN 29 H GLN 29 13.335 7.331 -1.969 235 HA GLN 29 HA GLN 29 15.138 9.482 -2.718 236 HB2 GLN 29 2HB GLN 29 12.698 10.313 -2.574 237 HB3 GLN 29 1HB GLN 29 12.862 10.075 -0.842 238 HG2 GLN 29 2HG GLN 29 14.492 11.741 -0.656 239 HG3 GLN 29 1HG GLN 29 14.786 11.763 -2.395 240 HE21 GLN 29 1HE2 GLN 29 12.714 12.810 0.166 241 HE22 GLN 29 2HE2 GLN 29 11.790 13.931 -0.772 242 H GLU 30 H GLU 30 16.616 9.981 -1.098 243 HA GLU 30 HA GLU 30 16.982 7.937 0.889 244 HB2 GLU 30 2HB GLU 30 18.537 10.479 0.396 245 HB3 GLU 30 1HB GLU 30 19.035 9.167 1.453 246 HG2 GLU 30 2HG GLU 30 19.192 7.666 -0.444 247 HG3 GLU 30 1HG GLU 30 18.625 8.944 -1.519 248 H LYS 31 H LYS 31 15.959 11.262 0.813 249 HA LYS 31 HA LYS 31 15.309 11.081 3.667 250 HB2 LYS 31 2HB LYS 31 15.663 13.625 3.670 251 HB3 LYS 31 1HB LYS 31 17.093 12.604 3.661 252 HG2 LYS 31 2HG LYS 31 17.377 12.969 1.281 253 HG3 LYS 31 1HG LYS 31 15.891 13.914 1.226 254 HD2 LYS 31 2HD LYS 31 18.318 14.635 2.867 255 HD3 LYS 31 1HD LYS 31 17.967 15.289 1.268 256 HE2 LYS 31 2HE LYS 31 15.779 16.104 2.190 257 HE3 LYS 31 1HE LYS 31 16.348 15.624 3.788 258 HZ1 LYS 31 3HZ LYS 31 16.747 17.957 3.389 259 HZ2 LYS 31 1HZ LYS 31 17.644 17.606 2.002 260 HZ3 LYS 31 2HZ LYS 31 18.217 17.143 3.524 261 H ILE 32 H ILE 32 13.202 10.521 3.322 262 HA ILE 32 HA ILE 32 11.501 12.019 1.573 263 HB ILE 32 HB ILE 32 10.910 9.934 3.681 264 HG12 ILE 32 2HG1 ILE 32 10.843 9.834 0.658 265 HG13 ILE 32 1HG1 ILE 32 12.121 9.177 1.671 266 HG21 ILE 32 1HG2 ILE 32 8.973 11.155 1.716 267 HG22 ILE 32 2HG2 ILE 32 8.993 11.458 3.452 268 HG23 ILE 32 3HG2 ILE 32 8.631 9.843 2.844 269 HD11 ILE 32 3HD1 ILE 32 9.261 8.264 1.579 270 HD12 ILE 32 1HD1 ILE 32 10.501 7.621 2.656 271 HD13 ILE 32 2HD1 ILE 32 10.661 7.426 0.911 272 H THR 33 H THR 33 10.795 13.979 1.999 273 HA THR 33 HA THR 33 10.595 14.835 4.794 274 HB THR 33 HB THR 33 10.619 17.173 3.665 275 HG1 THR 33 1HG THR 33 10.521 16.774 1.526 276 HG21 THR 33 3HG2 THR 33 13.086 17.165 3.639 277 HG22 THR 33 1HG2 THR 33 13.070 15.402 3.681 278 HG23 THR 33 2HG2 THR 33 12.442 16.324 5.048 279 H ARG 34 H ARG 34 8.612 13.746 2.434 280 HA ARG 34 HA ARG 34 6.549 15.694 2.450 281 HB2 ARG 34 2HB ARG 34 5.223 14.130 1.290 282 HB3 ARG 34 1HB ARG 34 6.862 13.747 0.793 283 HG2 ARG 34 2HG ARG 34 6.898 11.911 2.439 284 HG3 ARG 34 1HG ARG 34 5.221 12.276 2.842 285 HD2 ARG 34 2HD ARG 34 5.073 10.517 1.316 286 HD3 ARG 34 1HD ARG 34 4.748 11.954 0.350 287 HE ARG 34 HE ARG 34 6.990 11.793 -0.526 288 HH11 ARG 34 1HH1 ARG 34 5.848 9.004 1.265 289 HH12 ARG 34 2HH1 ARG 34 6.930 7.892 0.480 290 HH21 ARG 34 1HH2 ARG 34 8.467 10.294 -1.527 291 HH22 ARG 34 2HH2 ARG 34 8.410 8.619 -1.073 292 H THR 35 H THR 35 4.817 15.949 3.786 293 HA THR 35 HA THR 35 4.997 14.623 6.344 294 HB THR 35 HB THR 35 4.574 17.076 6.207 295 HG1 THR 35 1HG THR 35 2.427 16.763 7.561 296 HG21 THR 35 3HG2 THR 35 2.327 17.870 5.610 297 HG22 THR 35 1HG2 THR 35 1.876 16.232 5.139 298 HG23 THR 35 2HG2 THR 35 3.120 17.097 4.237 299 H LYS 36 H LYS 36 2.771 14.031 7.373 300 HA LYS 36 HA LYS 36 1.832 11.753 5.974 301 HB2 LYS 36 2HB LYS 36 1.915 11.892 8.419 302 HB3 LYS 36 1HB LYS 36 0.674 13.135 8.393 303 HG2 LYS 36 2HG LYS 36 -0.888 11.499 7.404 304 HG3 LYS 36 1HG LYS 36 0.363 10.261 7.559 305 HD2 LYS 36 2HD LYS 36 0.421 10.640 9.980 306 HD3 LYS 36 1HD LYS 36 -0.847 11.854 9.816 307 HE2 LYS 36 2HE LYS 36 -2.350 10.136 8.914 308 HE3 LYS 36 1HE LYS 36 -1.081 8.930 9.125 309 HZ1 LYS 36 3HZ LYS 36 -2.565 8.825 10.983 310 HZ2 LYS 36 1HZ LYS 36 -2.428 10.489 11.253 311 HZ3 LYS 36 2HZ LYS 36 -1.103 9.481 11.520 312 H GLU 37 H GLU 37 0.523 14.971 6.487 313 HA GLU 37 HA GLU 37 -2.049 14.633 5.511 314 HB2 GLU 37 2HB GLU 37 -0.291 17.062 5.099 315 HB3 GLU 37 1HB GLU 37 -2.043 17.026 5.002 316 HG2 GLU 37 2HG GLU 37 -1.659 17.928 7.092 317 HG3 GLU 37 1HG GLU 37 -1.941 16.229 7.453 318 H GLU 38 H GLU 38 0.900 15.457 3.717 319 HA GLU 38 HA GLU 38 -0.263 15.576 1.163 320 HB2 GLU 38 2HB GLU 38 2.550 14.942 2.044 321 HB3 GLU 38 1HB GLU 38 2.086 15.126 0.359 322 HG2 GLU 38 2HG GLU 38 1.805 17.241 2.479 323 HG3 GLU 38 1HG GLU 38 3.107 17.145 1.293 324 H ALA 39 H ALA 39 1.199 12.928 2.973 325 HA ALA 39 HA ALA 39 1.121 10.971 0.980 326 HB1 ALA 39 1HB ALA 39 1.272 9.351 2.803 327 HB2 ALA 39 2HB ALA 39 0.840 10.606 3.965 328 HB3 ALA 39 3HB ALA 39 2.361 10.711 3.078 329 H LEU 40 H LEU 40 -1.250 11.752 3.521 330 HA LEU 40 HA LEU 40 -3.162 9.810 2.882 331 HB2 LEU 40 2HB LEU 40 -3.215 11.071 4.962 332 HB3 LEU 40 1HB LEU 40 -3.533 12.554 4.087 333 HG LEU 40 HG LEU 40 -5.725 11.644 3.384 334 HD11 LEU 40 1HD1 LEU 40 -5.021 9.355 5.210 335 HD12 LEU 40 2HD1 LEU 40 -5.221 9.274 3.460 336 HD13 LEU 40 3HD1 LEU 40 -6.604 9.645 4.489 337 HD21 LEU 40 3HD2 LEU 40 -6.808 11.828 5.573 338 HD22 LEU 40 1HD2 LEU 40 -5.572 13.065 5.351 339 HD23 LEU 40 2HD2 LEU 40 -5.239 11.658 6.360 340 H GLU 41 H GLU 41 -2.673 13.049 1.602 341 HA GLU 41 HA GLU 41 -5.022 13.168 0.042 342 HB2 GLU 41 2HB GLU 41 -2.363 14.552 -0.243 343 HB3 GLU 41 1HB GLU 41 -3.752 14.911 -1.253 344 HG2 GLU 41 2HG GLU 41 -3.579 15.235 1.730 345 HG3 GLU 41 1HG GLU 41 -3.553 16.523 0.527 346 H LEU 42 H LEU 42 -1.713 12.173 -0.716 347 HA LEU 42 HA LEU 42 -2.157 11.594 -3.434 348 HB2 LEU 42 2HB LEU 42 -0.128 10.431 -1.527 349 HB3 LEU 42 1HB LEU 42 -0.090 10.239 -3.266 350 HG LEU 42 HG LEU 42 0.208 12.843 -1.769 351 HD11 LEU 42 1HD1 LEU 42 2.510 12.776 -2.591 352 HD12 LEU 42 2HD1 LEU 42 2.211 11.187 -3.294 353 HD13 LEU 42 3HD1 LEU 42 2.150 11.403 -1.545 354 HD21 LEU 42 3HD2 LEU 42 0.770 13.781 -3.978 355 HD22 LEU 42 1HD2 LEU 42 -0.896 13.207 -3.899 356 HD23 LEU 42 2HD2 LEU 42 0.330 12.246 -4.725 357 H ILE 43 H ILE 43 -2.272 9.557 -0.541 358 HA ILE 43 HA ILE 43 -2.670 7.075 -1.688 359 HB ILE 43 HB ILE 43 -3.863 8.177 0.863 360 HG12 ILE 43 2HG1 ILE 43 -1.416 8.149 0.832 361 HG13 ILE 43 1HG1 ILE 43 -2.043 6.962 1.966 362 HG21 ILE 43 1HG2 ILE 43 -3.679 5.290 0.012 363 HG22 ILE 43 2HG2 ILE 43 -5.155 6.250 0.077 364 HG23 ILE 43 3HG2 ILE 43 -4.276 5.890 1.560 365 HD11 ILE 43 3HD1 ILE 43 -1.637 5.198 0.307 366 HD12 ILE 43 1HD1 ILE 43 -0.166 6.063 0.750 367 HD13 ILE 43 2HD1 ILE 43 -0.958 6.405 -0.786 368 H ASN 44 H ASN 44 -5.282 9.173 -0.471 369 HA ASN 44 HA ASN 44 -7.344 7.615 -1.578 370 HB2 ASN 44 2HB ASN 44 -7.286 10.465 -0.609 371 HB3 ASN 44 1HB ASN 44 -8.754 9.707 -1.219 372 HD21 ASN 44 1HD2 ASN 44 -8.117 10.703 1.449 373 HD22 ASN 44 2HD2 ASN 44 -8.346 9.359 2.516 374 H GLY 45 H GLY 45 -5.474 10.254 -2.883 375 HA2 GLY 45 2HA GLY 45 -7.128 10.813 -5.103 376 HA3 GLY 45 1HA GLY 45 -5.413 11.183 -4.974 377 H TYR 46 H TYR 46 -4.172 8.831 -4.845 378 HA TYR 46 HA TYR 46 -4.266 7.949 -7.513 379 HB2 TYR 46 2HB TYR 46 -2.875 6.769 -5.109 380 HB3 TYR 46 1HB TYR 46 -2.682 6.146 -6.744 381 HD1 TYR 46 1HD TYR 46 -2.502 8.571 -8.358 382 HD2 TYR 46 2HD TYR 46 -0.842 7.743 -4.528 383 HE1 TYR 46 1HE TYR 46 -0.728 10.216 -8.778 384 HE2 TYR 46 2HE TYR 46 0.938 9.391 -4.942 385 HH TYR 46 HH TYR 46 0.801 11.604 -7.536 386 H ILE 47 H ILE 47 -5.556 6.507 -4.538 387 HA ILE 47 HA ILE 47 -6.353 4.045 -5.557 388 HB ILE 47 HB ILE 47 -7.743 5.762 -3.483 389 HG12 ILE 47 2HG1 ILE 47 -5.931 3.353 -3.205 390 HG13 ILE 47 1HG1 ILE 47 -5.466 5.023 -2.903 391 HG21 ILE 47 1HG2 ILE 47 -8.247 2.861 -4.157 392 HG22 ILE 47 2HG2 ILE 47 -9.358 4.203 -4.432 393 HG23 ILE 47 3HG2 ILE 47 -8.936 3.730 -2.786 394 HD11 ILE 47 3HD1 ILE 47 -5.900 3.832 -0.832 395 HD12 ILE 47 1HD1 ILE 47 -7.538 3.464 -1.373 396 HD13 ILE 47 2HD1 ILE 47 -7.066 5.135 -1.064 397 H GLN 48 H GLN 48 -8.120 7.120 -5.589 398 HA GLN 48 HA GLN 48 -10.361 6.051 -6.955 399 HB2 GLN 48 2HB GLN 48 -9.440 8.897 -6.577 400 HB3 GLN 48 1HB GLN 48 -10.946 8.462 -7.373 401 HG2 GLN 48 2HG GLN 48 -10.197 7.838 -4.524 402 HG3 GLN 48 1HG GLN 48 -11.335 9.073 -5.060 403 HE21 GLN 48 1HE2 GLN 48 -11.757 6.775 -3.307 404 HE22 GLN 48 2HE2 GLN 48 -13.013 5.837 -4.032 405 H LYS 49 H LYS 49 -7.445 7.747 -8.057 406 HA LYS 49 HA LYS 49 -8.268 8.024 -10.741 407 HB2 LYS 49 2HB LYS 49 -5.485 7.883 -9.580 408 HB3 LYS 49 1HB LYS 49 -5.848 8.329 -11.241 409 HG2 LYS 49 2HG LYS 49 -7.162 10.242 -10.415 410 HG3 LYS 49 1HG LYS 49 -6.721 9.808 -8.764 411 HD2 LYS 49 2HD LYS 49 -5.272 11.573 -9.512 412 HD3 LYS 49 1HD LYS 49 -4.330 10.086 -9.398 413 HE2 LYS 49 2HE LYS 49 -3.787 11.320 -11.434 414 HE3 LYS 49 1HE LYS 49 -4.528 9.768 -11.814 415 HZ1 LYS 49 3HZ LYS 49 -6.600 10.857 -12.287 416 HZ2 LYS 49 1HZ LYS 49 -5.376 11.630 -13.162 417 HZ3 LYS 49 2HZ LYS 49 -5.999 12.352 -11.768 418 H ILE 50 H ILE 50 -6.519 5.428 -9.094 419 HA ILE 50 HA ILE 50 -5.985 3.944 -11.460 420 HB ILE 50 HB ILE 50 -6.137 2.971 -8.592 421 HG12 ILE 50 2HG1 ILE 50 -3.735 3.728 -10.272 422 HG13 ILE 50 1HG1 ILE 50 -4.442 4.742 -9.019 423 HG21 ILE 50 1HG2 ILE 50 -4.904 1.656 -11.015 424 HG22 ILE 50 2HG2 ILE 50 -6.381 1.141 -10.202 425 HG23 ILE 50 3HG2 ILE 50 -4.834 1.049 -9.360 426 HD11 ILE 50 3HD1 ILE 50 -3.896 3.054 -7.346 427 HD12 ILE 50 1HD1 ILE 50 -2.459 3.587 -8.218 428 HD13 ILE 50 2HD1 ILE 50 -3.198 2.033 -8.603 429 H LYS 51 H LYS 51 -8.571 3.787 -9.027 430 HA LYS 51 HA LYS 51 -9.850 1.586 -10.355 431 HB2 LYS 51 2HB LYS 51 -10.799 3.353 -8.100 432 HB3 LYS 51 1HB LYS 51 -11.682 1.957 -8.705 433 HG2 LYS 51 2HG LYS 51 -9.713 0.543 -8.148 434 HG3 LYS 51 1HG LYS 51 -8.965 1.957 -7.408 435 HD2 LYS 51 2HD LYS 51 -10.013 0.588 -5.704 436 HD3 LYS 51 1HD LYS 51 -10.879 2.118 -5.855 437 HE2 LYS 51 2HE LYS 51 -12.641 1.081 -7.085 438 HE3 LYS 51 1HE LYS 51 -11.727 -0.416 -7.245 439 HZ1 LYS 51 3HZ LYS 51 -13.489 -0.472 -5.534 440 HZ2 LYS 51 1HZ LYS 51 -12.649 0.694 -4.652 441 HZ3 LYS 51 2HZ LYS 51 -11.964 -0.833 -4.917 442 H SER 52 H SER 52 -9.807 4.907 -10.888 443 HA SER 52 HA SER 52 -12.428 5.078 -12.082 444 HB2 SER 52 2HB SER 52 -11.260 7.053 -11.046 445 HB3 SER 52 1HB SER 52 -10.088 6.988 -12.357 446 HG SER 52 HG SER 52 -11.933 7.262 -13.806 447 H GLY 53 H GLY 53 -9.376 3.924 -12.953 448 HA2 GLY 53 2HA GLY 53 -8.866 2.752 -14.899 449 HA3 GLY 53 1HA GLY 53 -10.279 3.460 -15.669 450 H GLU 54 H GLU 54 -7.862 5.354 -13.985 451 HA GLU 54 HA GLU 54 -7.266 6.686 -16.513 452 HB2 GLU 54 2HB GLU 54 -6.546 7.448 -13.683 453 HB3 GLU 54 1HB GLU 54 -6.157 8.392 -15.109 454 HG2 GLU 54 2HG GLU 54 -8.628 8.511 -15.551 455 HG3 GLU 54 1HG GLU 54 -8.856 7.830 -13.940 456 H GLU 55 H GLU 55 -5.237 6.082 -13.689 457 HA GLU 55 HA GLU 55 -3.013 5.504 -15.476 458 HB2 GLU 55 2HB GLU 55 -3.005 5.856 -12.476 459 HB3 GLU 55 1HB GLU 55 -1.600 5.811 -13.531 460 HG2 GLU 55 2HG GLU 55 -3.730 7.939 -13.485 461 HG3 GLU 55 1HG GLU 55 -2.094 8.079 -12.847 462 H ASP 56 H ASP 56 -1.418 3.875 -14.244 463 HA ASP 56 HA ASP 56 -2.991 1.438 -13.753 464 HB2 ASP 56 2HB ASP 56 -0.203 1.731 -14.899 465 HB3 ASP 56 1HB ASP 56 -0.981 0.195 -14.537 466 H PHE 57 H PHE 57 -2.466 0.148 -12.027 467 HA PHE 57 HA PHE 57 -1.429 1.413 -9.737 468 HB2 PHE 57 2HB PHE 57 -3.056 -0.490 -9.717 469 HB3 PHE 57 1HB PHE 57 -1.758 -1.562 -10.221 470 HD1 PHE 57 1HD PHE 57 0.119 -2.044 -8.661 471 HD2 PHE 57 2HD PHE 57 -3.294 0.197 -7.457 472 HE1 PHE 57 1HE PHE 57 0.700 -2.431 -6.303 473 HE2 PHE 57 2HE PHE 57 -2.715 -0.186 -5.097 474 HZ PHE 57 HZ PHE 57 -0.717 -1.501 -4.518 475 H GLU 58 H GLU 58 -0.077 -1.049 -11.881 476 HA GLU 58 HA GLU 58 2.370 -1.404 -10.560 477 HB2 GLU 58 2HB GLU 58 1.718 -1.722 -13.489 478 HB3 GLU 58 1HB GLU 58 3.156 -2.349 -12.696 479 HG2 GLU 58 2HG GLU 58 1.822 -3.814 -11.335 480 HG3 GLU 58 1HG GLU 58 0.338 -3.119 -11.984 481 H SER 59 H SER 59 1.403 0.864 -13.082 482 HA SER 59 HA SER 59 3.973 1.891 -13.598 483 HB2 SER 59 2HB SER 59 1.275 3.196 -13.992 484 HB3 SER 59 1HB SER 59 2.790 3.703 -14.739 485 HG SER 59 HG SER 59 1.418 2.304 -16.055 486 H LEU 60 H LEU 60 1.328 3.072 -11.513 487 HA LEU 60 HA LEU 60 2.782 5.314 -10.572 488 HB2 LEU 60 2HB LEU 60 0.444 3.861 -9.336 489 HB3 LEU 60 1HB LEU 60 1.071 5.396 -8.772 490 HG LEU 60 HG LEU 60 -0.230 4.866 -11.443 491 HD11 LEU 60 1HD1 LEU 60 -1.118 6.458 -9.047 492 HD12 LEU 60 2HD1 LEU 60 -1.817 4.946 -9.628 493 HD13 LEU 60 3HD1 LEU 60 -1.945 6.409 -10.603 494 HD21 LEU 60 3HD2 LEU 60 -0.034 7.295 -11.796 495 HD22 LEU 60 1HD2 LEU 60 1.542 6.508 -11.706 496 HD23 LEU 60 2HD2 LEU 60 0.931 7.418 -10.325 497 H ALA 61 H ALA 61 2.513 1.992 -9.510 498 HA ALA 61 HA ALA 61 3.748 2.223 -7.008 499 HB1 ALA 61 1HB ALA 61 4.228 -0.163 -7.206 500 HB2 ALA 61 2HB ALA 61 3.869 -0.102 -8.932 501 HB3 ALA 61 3HB ALA 61 2.589 0.191 -7.754 502 H SER 62 H SER 62 5.069 1.738 -10.218 503 HA SER 62 HA SER 62 7.757 1.413 -9.377 504 HB2 SER 62 2HB SER 62 6.711 2.208 -12.094 505 HB3 SER 62 1HB SER 62 8.290 1.511 -11.730 506 HG SER 62 HG SER 62 5.739 0.273 -11.488 507 H GLN 63 H GLN 63 5.829 4.149 -9.415 508 HA GLN 63 HA GLN 63 8.170 5.881 -9.799 509 HB2 GLN 63 2HB GLN 63 5.259 6.509 -10.222 510 HB3 GLN 63 1HB GLN 63 6.536 7.713 -10.247 511 HG2 GLN 63 2HG GLN 63 7.596 6.391 -12.103 512 HG3 GLN 63 1HG GLN 63 6.120 5.429 -12.149 513 HE21 GLN 63 1HE2 GLN 63 4.430 7.715 -11.481 514 HE22 GLN 63 2HE2 GLN 63 4.339 8.685 -12.905 515 H PHE 64 H PHE 64 5.252 5.468 -7.789 516 HA PHE 64 HA PHE 64 6.373 7.490 -5.979 517 HB2 PHE 64 2HB PHE 64 3.512 6.582 -6.242 518 HB3 PHE 64 1HB PHE 64 4.097 7.843 -5.161 519 HD1 PHE 64 1HD PHE 64 5.249 9.861 -6.221 520 HD2 PHE 64 2HD PHE 64 2.882 7.095 -8.424 521 HE1 PHE 64 1HE PHE 64 4.978 11.524 -8.012 522 HE2 PHE 64 2HE PHE 64 2.607 8.756 -10.220 523 HZ PHE 64 HZ PHE 64 3.657 10.972 -10.015 524 H SER 65 H SER 65 5.610 4.110 -6.072 525 HA SER 65 HA SER 65 5.219 3.829 -3.263 526 HB2 SER 65 2HB SER 65 4.457 2.162 -4.992 527 HB3 SER 65 1HB SER 65 6.141 1.684 -5.186 528 HG SER 65 HG SER 65 5.013 0.344 -3.707 529 H ASP 66 H ASP 66 6.684 4.102 -1.756 530 HA ASP 66 HA ASP 66 9.468 4.404 -2.287 531 HB2 ASP 66 2HB ASP 66 8.063 4.032 0.370 532 HB3 ASP 66 1HB ASP 66 9.710 4.596 0.156 533 H CYS 67 H CYS 67 7.541 1.692 -1.797 534 HA CYS 67 HA CYS 67 9.478 0.071 -0.432 535 HB2 CYS 67 2HB CYS 67 7.004 -0.233 -0.216 536 HB3 CYS 67 1HB CYS 67 6.983 -0.824 -1.874 537 HG CYS 67 HG CYS 67 8.495 -2.289 0.815 538 H SER 68 H SER 68 10.807 -1.482 -1.254 539 HA SER 68 HA SER 68 11.800 -1.155 -3.863 540 HB2 SER 68 2HB SER 68 12.240 -3.547 -2.077 541 HB3 SER 68 1HB SER 68 13.319 -2.913 -3.318 542 HG SER 68 HG SER 68 13.975 -1.382 -2.005 543 H SER 69 H SER 69 9.139 -2.955 -2.710 544 HA SER 69 HA SER 69 9.083 -5.150 -4.447 545 HB2 SER 69 2HB SER 69 6.689 -3.601 -3.451 546 HB3 SER 69 1HB SER 69 6.729 -5.289 -3.958 547 HG SER 69 HG SER 69 8.556 -5.067 -2.106 548 H ALA 70 H ALA 70 8.648 -1.811 -5.055 549 HA ALA 70 HA ALA 70 6.895 -1.833 -7.237 550 HB1 ALA 70 1HB ALA 70 7.761 0.363 -7.732 551 HB2 ALA 70 2HB ALA 70 9.167 0.068 -6.709 552 HB3 ALA 70 3HB ALA 70 7.560 0.175 -5.991 553 H LYS 71 H LYS 71 10.224 -2.738 -6.984 554 HA LYS 71 HA LYS 71 10.860 -2.531 -9.769 555 HB2 LYS 71 2HB LYS 71 12.178 -4.214 -7.630 556 HB3 LYS 71 1HB LYS 71 12.870 -3.787 -9.188 557 HG2 LYS 71 2HG LYS 71 12.178 -1.830 -7.002 558 HG3 LYS 71 1HG LYS 71 13.789 -2.462 -7.330 559 HD2 LYS 71 2HD LYS 71 12.133 -0.921 -9.327 560 HD3 LYS 71 1HD LYS 71 13.353 -0.194 -8.284 561 HE2 LYS 71 2HE LYS 71 13.848 -2.374 -10.314 562 HE3 LYS 71 1HE LYS 71 14.218 -0.668 -10.530 563 HZ1 LYS 71 3HZ LYS 71 16.188 -1.829 -9.888 564 HZ2 LYS 71 1HZ LYS 71 15.432 -2.490 -8.527 565 HZ3 LYS 71 2HZ LYS 71 15.723 -0.830 -8.610 566 H ALA 72 H ALA 72 9.135 -4.717 -7.833 567 HA ALA 72 HA ALA 72 9.212 -6.804 -9.899 568 HB1 ALA 72 1HB ALA 72 8.429 -8.334 -8.145 569 HB2 ALA 72 2HB ALA 72 8.422 -7.002 -6.989 570 HB3 ALA 72 3HB ALA 72 9.944 -7.556 -7.686 571 H ARG 73 H ARG 73 7.686 -4.329 -9.992 572 HA ARG 73 HA ARG 73 5.675 -3.605 -10.692 573 HB2 ARG 73 2HB ARG 73 5.084 -6.556 -10.782 574 HB3 ARG 73 1HB ARG 73 3.896 -5.346 -11.247 575 HG2 ARG 73 2HG ARG 73 6.618 -5.663 -12.501 576 HG3 ARG 73 1HG ARG 73 5.106 -6.284 -13.172 577 HD2 ARG 73 2HD ARG 73 4.219 -4.007 -13.266 578 HD3 ARG 73 1HD ARG 73 5.727 -3.388 -12.604 579 HE ARG 73 HE ARG 73 6.811 -3.940 -14.635 580 HH11 ARG 73 1HH1 ARG 73 3.351 -4.530 -14.724 581 HH12 ARG 73 2HH1 ARG 73 3.235 -4.331 -16.439 582 HH21 ARG 73 1HH2 ARG 73 6.660 -3.682 -16.903 583 HH22 ARG 73 2HH2 ARG 73 5.125 -3.841 -17.688 584 H GLY 74 H GLY 74 6.288 -4.438 -7.756 585 HA2 GLY 74 2HA GLY 74 5.244 -3.619 -5.843 586 HA3 GLY 74 1HA GLY 74 3.780 -3.359 -6.777 587 H ASP 75 H ASP 75 4.401 -6.319 -7.648 588 HA ASP 75 HA ASP 75 2.501 -7.443 -5.802 589 HB2 ASP 75 2HB ASP 75 2.398 -7.915 -8.217 590 HB3 ASP 75 1HB ASP 75 3.963 -8.711 -8.120 591 H LEU 76 H LEU 76 2.866 -8.862 -4.189 592 HA LEU 76 HA LEU 76 5.675 -9.405 -3.498 593 HB2 LEU 76 2HB LEU 76 3.161 -9.564 -1.841 594 HB3 LEU 76 1HB LEU 76 4.768 -9.936 -1.254 595 HG LEU 76 HG LEU 76 3.863 -7.229 -2.228 596 HD11 LEU 76 1HD1 LEU 76 4.334 -8.265 0.565 597 HD12 LEU 76 2HD1 LEU 76 2.770 -7.860 -0.144 598 HD13 LEU 76 3HD1 LEU 76 3.967 -6.595 0.132 599 HD21 LEU 76 3HD2 LEU 76 6.417 -8.133 -0.906 600 HD22 LEU 76 1HD2 LEU 76 5.981 -6.463 -1.262 601 HD23 LEU 76 2HD2 LEU 76 6.239 -7.605 -2.579 602 H GLY 77 H GLY 77 3.266 -10.962 -5.084 603 HA2 GLY 77 2HA GLY 77 2.988 -13.190 -5.611 604 HA3 GLY 77 1HA GLY 77 4.373 -13.555 -4.587 605 H ALA 78 H ALA 78 2.922 -15.413 -4.005 606 HA ALA 78 HA ALA 78 0.681 -14.788 -2.297 607 HB1 ALA 78 1HB ALA 78 0.478 -17.198 -2.014 608 HB2 ALA 78 2HB ALA 78 2.038 -17.438 -2.799 609 HB3 ALA 78 3HB ALA 78 0.678 -16.798 -3.720 610 H PHE 79 H PHE 79 1.051 -13.995 -0.328 611 HA PHE 79 HA PHE 79 3.330 -15.085 1.185 612 HB2 PHE 79 2HB PHE 79 3.290 -12.946 2.486 613 HB3 PHE 79 1HB PHE 79 3.710 -12.751 0.791 614 HD1 PHE 79 2HD PHE 79 1.146 -12.147 3.350 615 HD2 PHE 79 1HD PHE 79 2.275 -11.546 -0.710 616 HE1 PHE 79 2HE PHE 79 -0.612 -10.443 3.116 617 HE2 PHE 79 1HE PHE 79 0.526 -9.841 -0.949 618 HZ PHE 79 HZ PHE 79 -0.923 -9.287 0.964 619 H SER 80 H SER 80 3.076 -15.125 3.538 620 HA SER 80 HA SER 80 0.463 -16.226 4.236 621 HB2 SER 80 2HB SER 80 3.058 -16.283 5.789 622 HB3 SER 80 1HB SER 80 1.615 -17.235 6.122 623 HG SER 80 HG SER 80 3.248 -17.381 3.807 624 H ARG 81 H ARG 81 0.233 -15.915 6.854 625 HA ARG 81 HA ARG 81 -0.267 -13.081 7.187 626 HB2 ARG 81 2HB ARG 81 -0.824 -15.400 9.047 627 HB3 ARG 81 1HB ARG 81 -1.412 -13.757 9.250 628 HG2 ARG 81 2HG ARG 81 -2.735 -13.962 7.220 629 HG3 ARG 81 1HG ARG 81 -2.115 -15.595 6.970 630 HD2 ARG 81 2HD ARG 81 -4.315 -15.698 7.969 631 HD3 ARG 81 1HD ARG 81 -3.110 -16.275 9.118 632 HE ARG 81 HE ARG 81 -3.514 -13.540 9.556 633 HH11 ARG 81 1HH1 ARG 81 -5.263 -16.564 9.898 634 HH12 ARG 81 2HH1 ARG 81 -6.245 -15.999 11.203 635 HH21 ARG 81 1HH2 ARG 81 -4.815 -12.788 11.290 636 HH22 ARG 81 2HH2 ARG 81 -5.989 -13.844 12.000 637 H GLY 82 H GLY 82 0.676 -11.783 8.780 638 HA2 GLY 82 2HA GLY 82 2.153 -11.196 10.460 639 HA3 GLY 82 1HA GLY 82 2.570 -12.891 10.645 640 H GLN 83 H GLN 83 2.704 -11.337 7.549 641 HA GLN 83 HA GLN 83 5.569 -11.877 7.481 642 HB2 GLN 83 2HB GLN 83 3.530 -11.387 5.334 643 HB3 GLN 83 1HB GLN 83 5.252 -11.342 4.992 644 HG2 GLN 83 2HG GLN 83 3.784 -13.691 6.169 645 HG3 GLN 83 1HG GLN 83 4.219 -13.509 4.471 646 HE21 GLN 83 1HE2 GLN 83 6.389 -13.634 3.875 647 HE22 GLN 83 2HE2 GLN 83 7.580 -14.357 4.895 648 H MET 84 H MET 84 3.358 -9.183 6.691 649 HA MET 84 HA MET 84 5.712 -7.438 6.579 650 HB2 MET 84 2HB MET 84 4.205 -7.482 4.611 651 HB3 MET 84 1HB MET 84 2.893 -6.918 5.629 652 HG2 MET 84 2HG MET 84 3.763 -5.078 4.380 653 HG3 MET 84 1HG MET 84 4.166 -4.859 6.081 654 HE1 MET 84 3HE MET 84 7.212 -6.285 2.906 655 HE2 MET 84 1HE MET 84 5.508 -5.991 2.564 656 HE3 MET 84 2HE MET 84 5.983 -7.349 3.585 657 H GLN 85 H GLN 85 2.317 -6.941 7.504 658 HA GLN 85 HA GLN 85 3.099 -5.980 10.129 659 HB2 GLN 85 2HB GLN 85 1.973 -4.174 8.002 660 HB3 GLN 85 1HB GLN 85 1.653 -3.864 9.700 661 HG2 GLN 85 2HG GLN 85 4.390 -4.046 8.464 662 HG3 GLN 85 1HG GLN 85 3.527 -2.548 8.812 663 HE21 GLN 85 1HE2 GLN 85 6.073 -3.529 9.837 664 HE22 GLN 85 2HE2 GLN 85 5.922 -3.561 11.556 665 H LYS 86 H LYS 86 1.378 -5.935 11.587 666 HA LYS 86 HA LYS 86 -0.529 -7.889 11.287 667 HB2 LYS 86 2HB LYS 86 -0.711 -5.504 13.142 668 HB3 LYS 86 1HB LYS 86 -1.658 -6.975 13.277 669 HG2 LYS 86 2HG LYS 86 1.339 -6.803 13.486 670 HG3 LYS 86 1HG LYS 86 0.217 -6.941 14.838 671 HD2 LYS 86 2HD LYS 86 -0.484 -9.119 14.116 672 HD3 LYS 86 1HD LYS 86 0.425 -8.966 12.613 673 HE2 LYS 86 2HE LYS 86 1.624 -9.027 15.380 674 HE3 LYS 86 1HE LYS 86 1.568 -10.390 14.263 675 HZ1 LYS 86 3HZ LYS 86 3.705 -9.313 14.160 676 HZ2 LYS 86 1HZ LYS 86 2.989 -7.820 13.819 677 HZ3 LYS 86 2HZ LYS 86 2.893 -9.080 12.697 678 HA PRO 87 HA PRO 87 -3.949 -4.759 10.010 679 HB2 PRO 87 2HB PRO 87 -2.613 -2.320 9.098 680 HB3 PRO 87 1HB PRO 87 -3.904 -2.498 10.288 681 HG2 PRO 87 2HG PRO 87 -1.392 -1.783 10.985 682 HG3 PRO 87 1HG PRO 87 -2.433 -2.752 12.044 683 HD2 PRO 87 2HD PRO 87 -0.226 -3.642 10.226 684 HD3 PRO 87 1HD PRO 87 -0.568 -4.138 11.895 685 H PHE 88 H PHE 88 -0.925 -5.095 8.408 686 HA PHE 88 HA PHE 88 -1.802 -4.380 5.780 687 HB2 PHE 88 2HB PHE 88 0.580 -4.277 6.444 688 HB3 PHE 88 1HB PHE 88 0.600 -6.029 6.609 689 HD1 PHE 88 2HD PHE 88 0.587 -7.462 4.642 690 HD2 PHE 88 1HD PHE 88 0.559 -3.221 4.278 691 HE1 PHE 88 2HE PHE 88 1.202 -7.666 2.271 692 HE2 PHE 88 1HE PHE 88 1.175 -3.419 1.906 693 HZ PHE 88 HZ PHE 88 1.498 -5.644 0.900 694 H GLU 89 H GLU 89 -0.862 -7.556 7.160 695 HA GLU 89 HA GLU 89 -2.017 -9.031 5.059 696 HB2 GLU 89 2HB GLU 89 -1.483 -9.880 7.909 697 HB3 GLU 89 1HB GLU 89 -1.954 -10.977 6.624 698 HG2 GLU 89 2HG GLU 89 0.319 -11.267 6.662 699 HG3 GLU 89 1HG GLU 89 0.152 -10.032 5.419 700 H ASP 90 H ASP 90 -3.330 -7.706 7.991 701 HA ASP 90 HA ASP 90 -5.751 -9.074 8.166 702 HB2 ASP 90 2HB ASP 90 -4.994 -7.550 9.911 703 HB3 ASP 90 1HB ASP 90 -5.144 -6.183 8.815 704 H ALA 91 H ALA 91 -4.929 -6.157 6.330 705 HA ALA 91 HA ALA 91 -7.549 -5.944 5.181 706 HB1 ALA 91 1HB ALA 91 -6.581 -4.127 3.849 707 HB2 ALA 91 2HB ALA 91 -4.977 -4.548 4.451 708 HB3 ALA 91 3HB ALA 91 -6.206 -3.950 5.563 709 H SER 92 H SER 92 -4.397 -7.144 4.130 710 HA SER 92 HA SER 92 -4.910 -7.531 1.427 711 HB2 SER 92 2HB SER 92 -3.203 -9.264 3.227 712 HB3 SER 92 1HB SER 92 -3.095 -9.173 1.469 713 HG SER 92 HG SER 92 -2.527 -7.126 3.354 714 H PHE 93 H PHE 93 -5.518 -9.755 4.135 715 HA PHE 93 HA PHE 93 -6.653 -11.741 2.371 716 HB2 PHE 93 2HB PHE 93 -6.357 -11.585 5.368 717 HB3 PHE 93 1HB PHE 93 -7.207 -12.904 4.575 718 HD1 PHE 93 2HD PHE 93 -3.915 -11.217 4.847 719 HD2 PHE 93 1HD PHE 93 -6.025 -14.716 3.672 720 HE1 PHE 93 2HE PHE 93 -1.779 -12.402 4.563 721 HE2 PHE 93 1HE PHE 93 -3.893 -15.909 3.388 722 HZ PHE 93 HZ PHE 93 -1.766 -14.752 3.833 723 H ALA 94 H ALA 94 -7.827 -8.906 3.656 724 HA ALA 94 HA ALA 94 -10.544 -9.909 4.068 725 HB1 ALA 94 1HB ALA 94 -11.057 -7.702 4.940 726 HB2 ALA 94 2HB ALA 94 -9.453 -7.131 4.481 727 HB3 ALA 94 3HB ALA 94 -9.626 -8.363 5.731 728 H LEU 95 H LEU 95 -8.648 -8.197 1.755 729 HA LEU 95 HA LEU 95 -10.836 -6.971 0.366 730 HB2 LEU 95 2HB LEU 95 -8.048 -7.589 -0.598 731 HB3 LEU 95 1HB LEU 95 -9.191 -6.529 -1.393 732 HG LEU 95 HG LEU 95 -7.965 -6.044 1.318 733 HD11 LEU 95 1HD1 LEU 95 -7.389 -4.776 -1.353 734 HD12 LEU 95 2HD1 LEU 95 -6.337 -5.900 -0.493 735 HD13 LEU 95 3HD1 LEU 95 -6.680 -4.314 0.192 736 HD21 LEU 95 3HD2 LEU 95 -8.941 -3.816 1.107 737 HD22 LEU 95 1HD2 LEU 95 -10.192 -5.058 1.085 738 HD23 LEU 95 2HD2 LEU 95 -9.694 -4.281 -0.419 739 H ARG 96 H ARG 96 -10.903 -7.492 -2.121 740 HA ARG 96 HA ARG 96 -11.165 -10.408 -2.421 741 HB2 ARG 96 2HB ARG 96 -12.789 -8.231 -3.750 742 HB3 ARG 96 1HB ARG 96 -12.972 -9.952 -4.037 743 HG2 ARG 96 2HG ARG 96 -13.648 -10.251 -1.688 744 HG3 ARG 96 1HG ARG 96 -13.513 -8.506 -1.449 745 HD2 ARG 96 2HD ARG 96 -15.195 -8.176 -3.235 746 HD3 ARG 96 1HD ARG 96 -15.373 -9.925 -3.352 747 HE ARG 96 HE ARG 96 -15.799 -9.098 -0.687 748 HH11 ARG 96 1HH1 ARG 96 -17.337 -9.020 -3.845 749 HH12 ARG 96 2HH1 ARG 96 -18.939 -8.911 -3.203 750 HH21 ARG 96 1HH2 ARG 96 -17.924 -8.969 0.161 751 HH22 ARG 96 2HH2 ARG 96 -19.279 -8.884 -0.916 752 H THR 97 H THR 97 -11.085 -11.036 -4.845 753 HA THR 97 HA THR 97 -8.571 -10.354 -5.873 754 HB THR 97 HB THR 97 -10.870 -11.535 -7.446 755 HG1 THR 97 1HG THR 97 -8.927 -12.927 -5.878 756 HG21 THR 97 3HG2 THR 97 -9.076 -12.680 -8.676 757 HG22 THR 97 1HG2 THR 97 -7.870 -11.873 -7.673 758 HG23 THR 97 2HG2 THR 97 -8.883 -10.929 -8.765 759 H GLY 98 H GLY 98 -7.963 -8.500 -6.810 760 HA2 GLY 98 2HA GLY 98 -7.996 -6.859 -8.470 761 HA3 GLY 98 1HA GLY 98 -9.660 -7.284 -8.833 762 H GLU 99 H GLU 99 -9.221 -6.901 -5.525 763 HA GLU 99 HA GLU 99 -10.411 -4.228 -5.678 764 HB2 GLU 99 2HB GLU 99 -11.764 -5.959 -4.560 765 HB3 GLU 99 1HB GLU 99 -10.463 -6.226 -3.409 766 HG2 GLU 99 2HG GLU 99 -12.232 -4.864 -2.447 767 HG3 GLU 99 1HG GLU 99 -10.724 -3.959 -2.564 768 H MET 100 H MET 100 -9.718 -2.580 -4.322 769 HA MET 100 HA MET 100 -6.944 -2.863 -3.360 770 HB2 MET 100 2HB MET 100 -8.430 -0.407 -4.320 771 HB3 MET 100 1HB MET 100 -6.799 -0.399 -3.667 772 HG2 MET 100 2HG MET 100 -5.996 -1.708 -5.507 773 HG3 MET 100 1HG MET 100 -7.634 -1.918 -6.122 774 HE1 MET 100 3HE MET 100 -4.737 0.638 -5.444 775 HE2 MET 100 1HE MET 100 -6.097 1.402 -4.622 776 HE3 MET 100 2HE MET 100 -5.419 2.136 -6.074 777 H SER 101 H SER 101 -6.392 -1.764 -1.397 778 HA SER 101 HA SER 101 -8.518 -1.832 0.545 779 HB2 SER 101 2HB SER 101 -6.703 -1.319 2.167 780 HB3 SER 101 1HB SER 101 -6.329 -2.715 1.162 781 HG SER 101 HG SER 101 -5.074 -0.287 1.341 782 H GLY 102 H GLY 102 -8.405 0.016 2.253 783 HA2 GLY 102 2HA GLY 102 -8.660 2.544 0.795 784 HA3 GLY 102 1HA GLY 102 -9.369 2.182 2.368 785 HA PRO 103 HA PRO 103 -5.545 4.501 3.284 786 HB2 PRO 103 2HB PRO 103 -6.562 6.049 5.246 787 HB3 PRO 103 1HB PRO 103 -6.753 6.452 3.536 788 HG2 PRO 103 2HG PRO 103 -8.706 5.206 5.419 789 HG3 PRO 103 1HG PRO 103 -8.984 6.404 4.145 790 HD2 PRO 103 2HD PRO 103 -9.499 3.710 3.887 791 HD3 PRO 103 1HD PRO 103 -9.186 4.804 2.526 792 H VAL 104 H VAL 104 -4.585 2.629 4.129 793 HA VAL 104 HA VAL 104 -5.315 1.768 6.806 794 HB VAL 104 HB VAL 104 -3.064 0.776 5.030 795 HG11 VAL 104 1HG1 VAL 104 -4.308 -0.440 7.498 796 HG12 VAL 104 2HG1 VAL 104 -2.703 0.280 7.389 797 HG13 VAL 104 3HG1 VAL 104 -3.070 -1.193 6.493 798 HG21 VAL 104 3HG2 VAL 104 -4.542 -1.116 4.513 799 HG22 VAL 104 1HG2 VAL 104 -5.228 0.414 3.967 800 HG23 VAL 104 2HG2 VAL 104 -5.836 -0.352 5.435 801 H PHE 105 H PHE 105 -4.688 3.155 8.319 802 HA PHE 105 HA PHE 105 -2.287 4.716 8.071 803 HB2 PHE 105 2HB PHE 105 -4.284 4.479 10.325 804 HB3 PHE 105 1HB PHE 105 -2.939 5.614 10.300 805 HD1 PHE 105 2HD PHE 105 -2.916 7.464 8.678 806 HD2 PHE 105 1HD PHE 105 -6.264 4.869 9.069 807 HE1 PHE 105 2HE PHE 105 -4.312 9.091 7.473 808 HE2 PHE 105 1HE PHE 105 -7.667 6.491 7.863 809 HZ PHE 105 HZ PHE 105 -6.691 8.605 7.064 810 H THR 106 H THR 106 -0.364 4.154 8.697 811 HA THR 106 HA THR 106 -0.033 2.273 10.918 812 HB THR 106 HB THR 106 1.885 1.252 9.574 813 HG1 THR 106 1HG THR 106 0.685 2.916 7.685 814 HG21 THR 106 3HG2 THR 106 0.407 -0.314 8.385 815 HG22 THR 106 1HG2 THR 106 -0.941 0.803 8.596 816 HG23 THR 106 2HG2 THR 106 -0.203 0.036 10.002 817 H ASP 107 H ASP 107 2.579 2.108 11.151 818 HA ASP 107 HA ASP 107 3.355 4.660 12.094 819 HB2 ASP 107 2HB ASP 107 5.607 3.506 12.483 820 HB3 ASP 107 1HB ASP 107 4.209 2.856 13.323 821 H SER 108 H SER 108 4.345 2.793 9.266 822 HA SER 108 HA SER 108 6.308 4.755 8.504 823 HB2 SER 108 2HB SER 108 5.263 2.370 6.970 824 HB3 SER 108 1HB SER 108 6.700 3.313 6.575 825 HG SER 108 HG SER 108 6.373 2.040 9.092 826 H GLY 109 H GLY 109 2.999 4.604 8.217 827 HA2 GLY 109 2HA GLY 109 2.246 6.796 7.139 828 HA3 GLY 109 1HA GLY 109 3.002 6.123 5.700 829 H ILE 110 H ILE 110 1.546 5.389 4.346 830 HA ILE 110 HA ILE 110 -0.696 3.825 5.424 831 HB ILE 110 HB ILE 110 -0.868 5.835 3.160 832 HG12 ILE 110 2HG1 ILE 110 -2.140 5.882 5.908 833 HG13 ILE 110 1HG1 ILE 110 -0.767 6.863 5.411 834 HG21 ILE 110 1HG2 ILE 110 -2.975 4.031 4.351 835 HG22 ILE 110 2HG2 ILE 110 -2.305 3.936 2.722 836 HG23 ILE 110 3HG2 ILE 110 -3.288 5.323 3.193 837 HD11 ILE 110 3HD1 ILE 110 -2.856 8.120 5.401 838 HD12 ILE 110 1HD1 ILE 110 -3.530 6.992 4.225 839 HD13 ILE 110 2HD1 ILE 110 -2.157 8.010 3.787 840 H HIS 111 H HIS 111 -1.316 2.052 4.187 841 HA HIS 111 HA HIS 111 0.490 1.401 1.941 842 HB2 HIS 111 2HB HIS 111 -0.791 -0.594 3.827 843 HB3 HIS 111 1HB HIS 111 0.374 -0.940 2.560 844 HD1 HIS 111 1HD HIS 111 2.869 -0.549 3.118 845 HD2 HIS 111 2HD HIS 111 0.269 0.472 6.188 846 HE1 HIS 111 1HE HIS 111 4.313 -0.235 5.151 847 HE2 HIS 111 2HE HIS 111 2.735 0.545 6.949 848 H ILE 112 H ILE 112 -0.507 1.131 0.052 849 HA ILE 112 HA ILE 112 -3.391 0.557 0.046 850 HB ILE 112 HB ILE 112 -1.674 1.400 -2.302 851 HG12 ILE 112 2HG1 ILE 112 -3.517 3.102 -0.608 852 HG13 ILE 112 1HG1 ILE 112 -1.759 3.160 -0.555 853 HG21 ILE 112 1HG2 ILE 112 -4.665 1.303 -1.948 854 HG22 ILE 112 2HG2 ILE 112 -3.694 0.195 -2.917 855 HG23 ILE 112 3HG2 ILE 112 -3.816 1.893 -3.377 856 HD11 ILE 112 3HD1 ILE 112 -2.677 4.990 -1.867 857 HD12 ILE 112 1HD1 ILE 112 -3.471 3.836 -2.937 858 HD13 ILE 112 2HD1 ILE 112 -1.710 3.914 -2.873 859 H ILE 113 H ILE 113 -3.971 -1.465 -0.309 860 HA ILE 113 HA ILE 113 -2.003 -3.289 -1.515 861 HB ILE 113 HB ILE 113 -4.336 -3.993 0.274 862 HG12 ILE 113 2HG1 ILE 113 -1.416 -3.823 1.039 863 HG13 ILE 113 1HG1 ILE 113 -2.582 -2.547 1.368 864 HG21 ILE 113 1HG2 ILE 113 -1.932 -5.593 -0.615 865 HG22 ILE 113 2HG2 ILE 113 -3.592 -5.821 -1.163 866 HG23 ILE 113 3HG2 ILE 113 -3.167 -6.142 0.518 867 HD11 ILE 113 3HD1 ILE 113 -2.213 -3.925 3.322 868 HD12 ILE 113 1HD1 ILE 113 -2.691 -5.362 2.418 869 HD13 ILE 113 2HD1 ILE 113 -3.871 -4.092 2.744 870 H LEU 114 H LEU 114 -2.546 -4.481 -3.247 871 HA LEU 114 HA LEU 114 -5.340 -4.449 -4.174 872 HB2 LEU 114 2HB LEU 114 -4.154 -2.943 -5.616 873 HB3 LEU 114 1HB LEU 114 -2.815 -4.059 -5.782 874 HG LEU 114 HG LEU 114 -4.296 -5.602 -7.046 875 HD11 LEU 114 1HD1 LEU 114 -6.439 -4.897 -6.132 876 HD12 LEU 114 2HD1 LEU 114 -6.428 -4.800 -7.893 877 HD13 LEU 114 3HD1 LEU 114 -6.270 -3.332 -6.929 878 HD21 LEU 114 3HD2 LEU 114 -4.348 -4.279 -9.101 879 HD22 LEU 114 1HD2 LEU 114 -2.837 -4.050 -8.221 880 HD23 LEU 114 2HD2 LEU 114 -4.089 -2.809 -8.161 881 H ARG 115 H ARG 115 -6.094 -6.465 -4.135 882 HA ARG 115 HA ARG 115 -4.313 -8.693 -3.919 883 HB2 ARG 115 2HB ARG 115 -7.295 -8.483 -4.109 884 HB3 ARG 115 1HB ARG 115 -6.481 -10.038 -4.166 885 HG2 ARG 115 2HG ARG 115 -5.402 -9.399 -1.975 886 HG3 ARG 115 1HG ARG 115 -6.552 -8.060 -1.918 887 HD2 ARG 115 2HD ARG 115 -7.371 -10.003 -0.674 888 HD3 ARG 115 1HD ARG 115 -8.407 -9.629 -2.051 889 HE ARG 115 HE ARG 115 -6.488 -11.535 -2.829 890 HH11 ARG 115 1HH1 ARG 115 -9.376 -11.288 -0.839 891 HH12 ARG 115 2HH1 ARG 115 -9.777 -12.961 -1.019 892 HH21 ARG 115 1HH2 ARG 115 -7.025 -13.711 -3.058 893 HH22 ARG 115 2HH2 ARG 115 -8.431 -14.350 -2.262 894 H THR 116 H THR 116 -3.254 -9.519 -5.527 895 HA THR 116 HA THR 116 -4.095 -9.288 -8.251 896 HB THR 116 HB THR 116 -1.958 -11.149 -7.201 897 HG1 THR 116 1HG THR 116 -0.521 -9.393 -7.200 898 HG21 THR 116 3HG2 THR 116 -2.215 -9.553 -9.758 899 HG22 THR 116 1HG2 THR 116 -2.507 -11.284 -9.590 900 HG23 THR 116 2HG2 THR 116 -0.884 -10.637 -9.350 901 H GLU 117 H GLU 117 -4.008 -11.741 -5.736 902 HA GLU 117 HA GLU 117 -5.749 -13.479 -7.353 903 HB2 GLU 117 2HB GLU 117 -3.575 -14.296 -5.413 904 HB3 GLU 117 1HB GLU 117 -4.725 -15.399 -6.144 905 HG2 GLU 117 2HG GLU 117 -2.830 -13.708 -7.747 906 HG3 GLU 117 1HG GLU 117 -2.447 -15.337 -7.193 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -15.519 -26.307 0.866 2 H2 GLY 1 2HT GLY 1 -15.257 -26.359 -0.797 3 H3 GLY 1 3HT GLY 1 -16.433 -27.353 -0.099 4 HA2 GLY 1 1HA GLY 1 -17.476 -25.489 -1.201 5 HA3 GLY 1 2HA GLY 1 -17.727 -25.416 0.538 6 H SER 2 H SER 2 -17.991 -23.203 0.622 7 HA SER 2 HA SER 2 -16.054 -21.429 -0.517 8 HB2 SER 2 2HB SER 2 -18.471 -20.830 -0.201 9 HB3 SER 2 1HB SER 2 -18.200 -20.830 1.540 10 HG SER 2 HG SER 2 -18.050 -18.733 0.595 11 H HIS 3 H HIS 3 -14.354 -20.460 0.474 12 HA HIS 3 HA HIS 3 -13.777 -21.320 3.226 13 HB2 HIS 3 2HB HIS 3 -11.922 -20.558 0.968 14 HB3 HIS 3 1HB HIS 3 -11.378 -20.735 2.630 15 HD1 HIS 3 1HD HIS 3 -10.687 -23.032 3.318 16 HD2 HIS 3 2HD HIS 3 -13.013 -23.066 -0.123 17 HE1 HIS 3 1HE HIS 3 -10.665 -25.405 2.518 18 HE2 HIS 3 2HE HIS 3 -12.278 -25.438 0.595 19 H MET 4 H MET 4 -13.994 -19.841 4.727 20 HA MET 4 HA MET 4 -13.854 -17.018 3.986 21 HB2 MET 4 2HB MET 4 -15.161 -18.520 6.217 22 HB3 MET 4 1HB MET 4 -14.691 -16.851 6.494 23 HG2 MET 4 2HG MET 4 -17.020 -17.015 5.815 24 HG3 MET 4 1HG MET 4 -16.069 -16.124 4.632 25 HE1 MET 4 3HE MET 4 -16.408 -20.028 5.235 26 HE2 MET 4 1HE MET 4 -17.654 -20.427 4.054 27 HE3 MET 4 2HE MET 4 -18.044 -19.402 5.434 28 H GLU 5 H GLU 5 -12.109 -15.916 4.380 29 HA GLU 5 HA GLU 5 -10.134 -15.200 5.183 30 HB2 GLU 5 2HB GLU 5 -11.270 -15.234 7.392 31 HB3 GLU 5 1HB GLU 5 -10.720 -16.886 7.624 32 HG2 GLU 5 2HG GLU 5 -8.394 -16.119 7.521 33 HG3 GLU 5 1HG GLU 5 -8.960 -14.461 7.324 34 HA PRO 6 HA PRO 6 -7.963 -18.882 3.644 35 HB2 PRO 6 2HB PRO 6 -6.191 -16.890 2.429 36 HB3 PRO 6 1HB PRO 6 -7.171 -18.131 1.644 37 HG2 PRO 6 2HG PRO 6 -7.754 -15.497 1.456 38 HG3 PRO 6 1HG PRO 6 -9.004 -16.753 1.453 39 HD2 PRO 6 2HD PRO 6 -8.111 -14.973 3.689 40 HD3 PRO 6 1HD PRO 6 -9.754 -15.462 3.220 41 H ALA 7 H ALA 7 -5.829 -19.669 4.054 42 HA ALA 7 HA ALA 7 -4.649 -18.556 6.440 43 HB1 ALA 7 1HB ALA 7 -3.204 -20.523 6.395 44 HB2 ALA 7 2HB ALA 7 -3.816 -20.946 4.796 45 HB3 ALA 7 3HB ALA 7 -4.895 -20.982 6.191 46 H ARG 8 H ARG 8 -3.975 -18.707 3.034 47 HA ARG 8 HA ARG 8 -1.692 -16.913 3.457 48 HB2 ARG 8 2HB ARG 8 -1.758 -19.222 1.502 49 HB3 ARG 8 1HB ARG 8 -0.476 -18.025 1.621 50 HG2 ARG 8 2HG ARG 8 0.004 -18.781 3.900 51 HG3 ARG 8 1HG ARG 8 -1.264 -19.997 3.752 52 HD2 ARG 8 2HD ARG 8 -0.054 -20.990 1.855 53 HD3 ARG 8 1HD ARG 8 1.228 -19.797 2.071 54 HE ARG 8 HE ARG 8 0.549 -21.494 4.343 55 HH11 ARG 8 1HH1 ARG 8 2.794 -20.716 1.764 56 HH12 ARG 8 2HH1 ARG 8 4.074 -21.680 2.413 57 HH21 ARG 8 1HH2 ARG 8 2.235 -22.768 5.202 58 HH22 ARG 8 2HH2 ARG 8 3.756 -22.853 4.381 59 H VAL 9 H VAL 9 -1.715 -15.165 2.189 60 HA VAL 9 HA VAL 9 -3.562 -15.167 -0.099 61 HB VAL 9 HB VAL 9 -4.078 -12.779 0.377 62 HG11 VAL 9 1HG1 VAL 9 -4.807 -14.715 2.570 63 HG12 VAL 9 2HG1 VAL 9 -5.649 -14.509 1.034 64 HG13 VAL 9 3HG1 VAL 9 -5.644 -13.203 2.219 65 HG21 VAL 9 3HG2 VAL 9 -3.615 -11.878 2.613 66 HG22 VAL 9 1HG2 VAL 9 -2.128 -12.230 1.731 67 HG23 VAL 9 2HG2 VAL 9 -2.682 -13.325 2.997 68 H ARG 10 H ARG 10 -3.076 -13.559 -1.730 69 HA ARG 10 HA ARG 10 -0.326 -12.559 -1.670 70 HB2 ARG 10 2HB ARG 10 -0.328 -14.640 -3.000 71 HB3 ARG 10 1HB ARG 10 -1.584 -13.968 -4.033 72 HG2 ARG 10 2HG ARG 10 -0.085 -12.219 -4.773 73 HG3 ARG 10 1HG ARG 10 1.170 -12.807 -3.683 74 HD2 ARG 10 2HD ARG 10 1.116 -14.971 -4.903 75 HD3 ARG 10 1HD ARG 10 -0.004 -14.238 -6.052 76 HE ARG 10 HE ARG 10 2.223 -12.574 -5.882 77 HH11 ARG 10 1HH1 ARG 10 1.435 -15.810 -6.994 78 HH12 ARG 10 2HH1 ARG 10 2.730 -15.874 -8.138 79 HH21 ARG 10 1HH2 ARG 10 3.931 -12.648 -7.381 80 HH22 ARG 10 2HH2 ARG 10 4.157 -14.057 -8.370 81 H CYS 11 H CYS 11 -0.601 -10.449 -1.695 82 HA CYS 11 HA CYS 11 -2.537 -9.353 -3.600 83 HB2 CYS 11 2HB CYS 11 -2.028 -8.284 -0.823 84 HB3 CYS 11 1HB CYS 11 -3.213 -7.692 -1.982 85 HG CYS 11 HG CYS 11 -4.086 -10.706 -1.776 86 H SER 12 H SER 12 -2.118 -7.089 -4.114 87 HA SER 12 HA SER 12 0.740 -6.590 -4.329 88 HB2 SER 12 2HB SER 12 -1.573 -5.106 -5.600 89 HB3 SER 12 1HB SER 12 0.132 -4.998 -6.043 90 HG SER 12 HG SER 12 -1.657 -7.160 -6.407 91 H HIS 13 H HIS 13 1.709 -4.870 -3.321 92 HA HIS 13 HA HIS 13 -0.043 -3.219 -1.652 93 HB2 HIS 13 2HB HIS 13 1.447 -3.410 0.263 94 HB3 HIS 13 1HB HIS 13 0.890 -4.994 -0.247 95 HD1 HIS 13 1HD HIS 13 3.599 -4.109 1.379 96 HD2 HIS 13 2HD HIS 13 3.286 -5.546 -2.507 97 HE1 HIS 13 1HE HIS 13 5.844 -5.074 0.836 98 HE2 HIS 13 2HE HIS 13 5.598 -6.055 -1.465 99 H LEU 14 H LEU 14 0.191 -1.182 -1.951 100 HA LEU 14 HA LEU 14 2.719 -0.116 -3.006 101 HB2 LEU 14 2HB LEU 14 0.551 0.295 -4.240 102 HB3 LEU 14 1HB LEU 14 -0.014 1.191 -2.850 103 HG LEU 14 HG LEU 14 2.486 2.051 -4.282 104 HD11 LEU 14 1HD1 LEU 14 -0.349 2.752 -5.038 105 HD12 LEU 14 2HD1 LEU 14 0.785 1.813 -6.009 106 HD13 LEU 14 3HD1 LEU 14 1.105 3.516 -5.679 107 HD21 LEU 14 3HD2 LEU 14 1.807 4.247 -3.457 108 HD22 LEU 14 1HD2 LEU 14 1.949 3.091 -2.132 109 HD23 LEU 14 2HD2 LEU 14 0.357 3.540 -2.745 110 H LEU 15 H LEU 15 3.848 1.437 -1.824 111 HA LEU 15 HA LEU 15 2.724 2.120 0.811 112 HB2 LEU 15 2HB LEU 15 4.235 0.416 1.346 113 HB3 LEU 15 1HB LEU 15 5.410 0.958 0.169 114 HG LEU 15 HG LEU 15 5.958 2.891 1.591 115 HD11 LEU 15 1HD1 LEU 15 4.014 1.692 3.553 116 HD12 LEU 15 2HD1 LEU 15 3.817 3.216 2.687 117 HD13 LEU 15 3HD1 LEU 15 5.109 3.037 3.874 118 HD21 LEU 15 3HD2 LEU 15 7.051 1.651 3.409 119 HD22 LEU 15 1HD2 LEU 15 7.249 0.859 1.845 120 HD23 LEU 15 2HD2 LEU 15 6.080 0.234 3.008 121 H VAL 16 H VAL 16 2.700 4.197 1.217 122 HA VAL 16 HA VAL 16 4.793 5.890 0.044 123 HB VAL 16 HB VAL 16 1.899 6.681 0.527 124 HG11 VAL 16 1HG1 VAL 16 4.191 8.297 -0.586 125 HG12 VAL 16 2HG1 VAL 16 3.441 8.517 0.994 126 HG13 VAL 16 3HG1 VAL 16 2.513 8.828 -0.474 127 HG21 VAL 16 3HG2 VAL 16 1.789 6.964 -1.906 128 HG22 VAL 16 1HG2 VAL 16 2.162 5.298 -1.463 129 HG23 VAL 16 2HG2 VAL 16 3.441 6.363 -2.047 130 H LYS 17 H LYS 17 6.116 6.340 1.652 131 HA LYS 17 HA LYS 17 5.233 6.422 4.396 132 HB2 LYS 17 2HB LYS 17 7.920 7.135 3.223 133 HB3 LYS 17 1HB LYS 17 7.571 6.892 4.924 134 HG2 LYS 17 2HG LYS 17 7.065 4.538 4.473 135 HG3 LYS 17 1HG LYS 17 7.436 4.797 2.766 136 HD2 LYS 17 2HD LYS 17 9.720 5.547 3.450 137 HD3 LYS 17 1HD LYS 17 9.325 5.080 5.103 138 HE2 LYS 17 2HE LYS 17 8.946 2.774 4.340 139 HE3 LYS 17 1HE LYS 17 9.386 3.255 2.701 140 HZ1 LYS 17 3HZ LYS 17 11.279 2.276 3.726 141 HZ2 LYS 17 1HZ LYS 17 11.129 3.254 5.097 142 HZ3 LYS 17 2HZ LYS 17 11.580 3.937 3.615 143 H HIS 18 H HIS 18 6.263 8.316 5.717 144 HA HIS 18 HA HIS 18 5.658 10.848 4.384 145 HB2 HIS 18 2HB HIS 18 4.584 11.661 6.504 146 HB3 HIS 18 1HB HIS 18 3.687 10.403 5.673 147 HD1 HIS 18 1HD HIS 18 4.648 11.356 8.958 148 HD2 HIS 18 2HD HIS 18 4.359 7.724 6.960 149 HE1 HIS 18 1HE HIS 18 4.460 9.610 10.749 150 HE2 HIS 18 2HE HIS 18 4.023 7.474 9.507 151 H SER 19 H SER 19 6.650 12.698 5.272 152 HA SER 19 HA SER 19 9.348 12.521 5.594 153 HB2 SER 19 2HB SER 19 8.055 14.579 5.017 154 HB3 SER 19 1HB SER 19 7.652 14.754 6.724 155 HG SER 19 HG SER 19 10.238 14.768 5.555 156 H GLN 20 H GLN 20 7.209 13.416 8.328 157 HA GLN 20 HA GLN 20 9.364 12.760 10.137 158 HB2 GLN 20 2HB GLN 20 6.567 13.724 10.750 159 HB3 GLN 20 1HB GLN 20 7.880 13.576 11.908 160 HG2 GLN 20 2HG GLN 20 7.732 15.465 9.568 161 HG3 GLN 20 1HG GLN 20 7.633 15.877 11.279 162 HE21 GLN 20 1HE2 GLN 20 9.709 15.029 8.653 163 HE22 GLN 20 2HE2 GLN 20 11.205 15.344 9.453 164 H SER 21 H SER 21 9.553 10.547 9.802 165 HA SER 21 HA SER 21 7.586 8.974 11.287 166 HB2 SER 21 2HB SER 21 7.765 7.164 9.571 167 HB3 SER 21 1HB SER 21 6.987 8.624 8.960 168 HG SER 21 HG SER 21 8.655 9.011 7.684 169 H ARG 22 H ARG 22 8.608 6.587 11.396 170 HA ARG 22 HA ARG 22 10.962 6.836 12.923 171 HB2 ARG 22 2HB ARG 22 10.973 4.343 12.952 172 HB3 ARG 22 1HB ARG 22 9.442 5.054 13.433 173 HG2 ARG 22 2HG ARG 22 8.491 4.541 11.256 174 HG3 ARG 22 1HG ARG 22 10.044 3.911 10.709 175 HD2 ARG 22 2HD ARG 22 8.458 2.131 11.381 176 HD3 ARG 22 1HD ARG 22 9.945 2.122 12.324 177 HE ARG 22 HE ARG 22 8.122 3.648 13.751 178 HH11 ARG 22 1HH1 ARG 22 8.302 0.329 12.607 179 HH12 ARG 22 2HH1 ARG 22 7.416 -0.325 13.940 180 HH21 ARG 22 1HH2 ARG 22 6.942 2.781 15.524 181 HH22 ARG 22 2HH2 ARG 22 6.630 1.083 15.602 182 H ARG 23 H ARG 23 10.492 6.373 9.538 183 HA ARG 23 HA ARG 23 13.347 6.497 9.156 184 HB2 ARG 23 2HB ARG 23 12.727 4.034 9.331 185 HB3 ARG 23 1HB ARG 23 11.851 4.250 7.822 186 HG2 ARG 23 2HG ARG 23 14.008 3.324 7.350 187 HG3 ARG 23 1HG ARG 23 13.960 4.985 6.753 188 HD2 ARG 23 2HD ARG 23 15.128 5.734 8.785 189 HD3 ARG 23 1HD ARG 23 15.189 4.067 9.351 190 HE ARG 23 HE ARG 23 16.358 4.203 6.810 191 HH11 ARG 23 1HH1 ARG 23 16.981 5.224 10.114 192 HH12 ARG 23 2HH1 ARG 23 18.696 5.251 9.923 193 HH21 ARG 23 1HH2 ARG 23 18.648 4.230 6.563 194 HH22 ARG 23 2HH2 ARG 23 19.647 4.672 7.897 195 HA PRO 24 HA PRO 24 11.054 8.947 6.041 196 HB2 PRO 24 2HB PRO 24 13.153 10.911 6.378 197 HB3 PRO 24 1HB PRO 24 11.448 11.042 6.812 198 HG2 PRO 24 2HG PRO 24 13.461 10.936 8.652 199 HG3 PRO 24 1HG PRO 24 11.813 10.368 8.972 200 HD2 PRO 24 2HD PRO 24 14.256 8.796 8.248 201 HD3 PRO 24 1HD PRO 24 12.997 8.440 9.453 202 H SER 25 H SER 25 12.689 6.851 5.213 203 HA SER 25 HA SER 25 14.229 8.157 3.089 204 HB2 SER 25 2HB SER 25 15.782 7.312 4.824 205 HB3 SER 25 1HB SER 25 15.124 5.693 4.599 206 HG SER 25 HG SER 25 16.722 7.236 2.880 207 H SER 26 H SER 26 14.033 7.282 1.105 208 HA SER 26 HA SER 26 12.635 4.730 0.781 209 HB2 SER 26 2HB SER 26 11.206 5.704 -0.939 210 HB3 SER 26 1HB SER 26 11.000 6.616 0.557 211 H TRP 27 H TRP 27 12.590 4.659 -1.951 212 HA TRP 27 HA TRP 27 15.413 4.945 -2.677 213 HB2 TRP 27 2HB TRP 27 14.996 3.354 -4.462 214 HB3 TRP 27 1HB TRP 27 14.388 2.688 -2.954 215 HD1 TRP 27 HD TRP 27 11.602 2.906 -2.654 216 HE1 TRP 27 1HE TRP 27 9.785 2.614 -4.441 217 HE3 TRP 27 3HE TRP 27 14.469 3.616 -6.827 218 HZ2 TRP 27 2HZ TRP 27 9.592 2.678 -7.263 219 HZ3 TRP 27 3HZ TRP 27 13.389 3.481 -9.034 220 HH2 TRP 27 HH TRP 27 11.001 3.021 -9.245 221 H ARG 28 H ARG 28 12.642 6.604 -2.799 222 HA ARG 28 HA ARG 28 12.925 7.673 -5.500 223 HB2 ARG 28 2HB ARG 28 10.925 8.330 -3.324 224 HB3 ARG 28 1HB ARG 28 10.879 8.933 -4.973 225 HG2 ARG 28 2HG ARG 28 10.591 6.051 -4.143 226 HG3 ARG 28 1HG ARG 28 9.280 7.128 -4.626 227 HD2 ARG 28 2HD ARG 28 11.602 6.271 -6.351 228 HD3 ARG 28 1HD ARG 28 9.953 5.662 -6.460 229 HE ARG 28 HE ARG 28 9.932 8.465 -6.722 230 HH11 ARG 28 1HH1 ARG 28 10.902 5.605 -8.494 231 HH12 ARG 28 2HH1 ARG 28 10.682 6.332 -10.047 232 HH21 ARG 28 1HH2 ARG 28 9.636 9.432 -8.775 233 HH22 ARG 28 2HH2 ARG 28 9.961 8.515 -10.207 234 H GLN 29 H GLN 29 12.970 8.703 -2.125 235 HA GLN 29 HA GLN 29 14.624 11.003 -2.926 236 HB2 GLN 29 2HB GLN 29 12.545 10.885 -0.730 237 HB3 GLN 29 1HB GLN 29 13.625 12.237 -1.022 238 HG2 GLN 29 2HG GLN 29 12.598 12.594 -3.203 239 HG3 GLN 29 1HG GLN 29 11.527 11.222 -2.925 240 HE21 GLN 29 1HE2 GLN 29 12.263 14.495 -2.075 241 HE22 GLN 29 2HE2 GLN 29 10.786 14.832 -1.236 242 H GLU 30 H GLU 30 16.333 11.496 -1.542 243 HA GLU 30 HA GLU 30 17.359 9.347 0.032 244 HB2 GLU 30 2HB GLU 30 18.843 10.934 -1.124 245 HB3 GLU 30 1HB GLU 30 18.214 12.248 -0.142 246 HG2 GLU 30 2HG GLU 30 19.158 11.256 1.847 247 HG3 GLU 30 1HG GLU 30 19.718 9.868 0.914 248 H LYS 31 H LYS 31 15.744 12.366 0.592 249 HA LYS 31 HA LYS 31 14.994 11.426 3.239 250 HB2 LYS 31 2HB LYS 31 15.050 13.848 4.015 251 HB3 LYS 31 1HB LYS 31 16.613 13.093 3.773 252 HG2 LYS 31 2HG LYS 31 16.947 15.170 2.844 253 HG3 LYS 31 1HG LYS 31 16.492 14.229 1.425 254 HD2 LYS 31 2HD LYS 31 14.191 15.052 1.623 255 HD3 LYS 31 1HD LYS 31 14.650 15.981 3.049 256 HE2 LYS 31 2HE LYS 31 15.849 16.341 0.312 257 HE3 LYS 31 1HE LYS 31 14.543 17.327 0.968 258 HZ1 LYS 31 3HZ LYS 31 16.682 18.394 1.239 259 HZ2 LYS 31 1HZ LYS 31 17.270 17.079 2.122 260 HZ3 LYS 31 2HZ LYS 31 16.017 18.026 2.745 261 H ILE 32 H ILE 32 12.880 11.407 3.520 262 HA ILE 32 HA ILE 32 11.224 12.124 1.305 263 HB ILE 32 HB ILE 32 10.486 11.045 4.031 264 HG12 ILE 32 2HG1 ILE 32 10.762 9.715 1.326 265 HG13 ILE 32 1HG1 ILE 32 11.862 9.530 2.687 266 HG21 ILE 32 1HG2 ILE 32 8.791 11.326 1.550 267 HG22 ILE 32 2HG2 ILE 32 8.606 12.251 3.041 268 HG23 ILE 32 3HG2 ILE 32 8.310 10.512 3.039 269 HD11 ILE 32 3HD1 ILE 32 10.399 7.615 2.468 270 HD12 ILE 32 1HD1 ILE 32 8.989 8.665 2.600 271 HD13 ILE 32 2HD1 ILE 32 10.078 8.477 3.975 272 H THR 33 H THR 33 10.385 14.014 0.911 273 HA THR 33 HA THR 33 10.263 16.036 2.991 274 HB THR 33 HB THR 33 9.616 17.538 1.065 275 HG1 THR 33 1HG THR 33 9.377 16.699 -0.880 276 HG21 THR 33 3HG2 THR 33 11.870 17.582 0.097 277 HG22 THR 33 1HG2 THR 33 12.194 15.984 0.771 278 HG23 THR 33 2HG2 THR 33 11.939 17.359 1.845 279 H ARG 34 H ARG 34 8.125 14.164 0.931 280 HA ARG 34 HA ARG 34 5.745 15.567 1.434 281 HB2 ARG 34 2HB ARG 34 4.662 13.271 0.884 282 HB3 ARG 34 1HB ARG 34 5.562 14.115 -0.365 283 HG2 ARG 34 2HG ARG 34 7.448 12.678 -0.071 284 HG3 ARG 34 1HG ARG 34 6.719 11.937 1.355 285 HD2 ARG 34 2HD ARG 34 5.224 10.711 0.118 286 HD3 ARG 34 1HD ARG 34 5.236 11.854 -1.225 287 HE ARG 34 HE ARG 34 7.279 10.930 -1.962 288 HH11 ARG 34 1HH1 ARG 34 5.922 9.130 0.748 289 HH12 ARG 34 2HH1 ARG 34 6.834 7.696 0.377 290 HH21 ARG 34 1HH2 ARG 34 8.475 9.045 -2.391 291 HH22 ARG 34 2HH2 ARG 34 8.284 7.639 -1.382 292 H THR 35 H THR 35 4.780 15.887 3.274 293 HA THR 35 HA THR 35 5.360 14.274 5.566 294 HB THR 35 HB THR 35 5.110 16.724 5.771 295 HG1 THR 35 1HG THR 35 3.287 16.522 7.486 296 HG21 THR 35 3HG2 THR 35 2.814 17.699 5.729 297 HG22 THR 35 1HG2 THR 35 2.232 16.187 5.034 298 HG23 THR 35 2HG2 THR 35 3.400 17.177 4.153 299 H LYS 36 H LYS 36 3.157 14.064 6.996 300 HA LYS 36 HA LYS 36 1.922 11.733 6.171 301 HB2 LYS 36 2HB LYS 36 1.942 12.249 8.465 302 HB3 LYS 36 1HB LYS 36 1.202 13.819 8.207 303 HG2 LYS 36 2HG LYS 36 -0.914 12.779 7.701 304 HG3 LYS 36 1HG LYS 36 -0.183 11.176 7.822 305 HD2 LYS 36 2HD LYS 36 0.185 11.411 10.143 306 HD3 LYS 36 1HD LYS 36 -0.137 13.144 10.095 307 HE2 LYS 36 2HE LYS 36 -2.176 11.025 9.469 308 HE3 LYS 36 1HE LYS 36 -1.981 11.763 11.055 309 HZ1 LYS 36 3HZ LYS 36 -3.744 12.789 9.684 310 HZ2 LYS 36 1HZ LYS 36 -2.575 13.308 8.575 311 HZ3 LYS 36 2HZ LYS 36 -2.557 13.886 10.162 312 H GLU 37 H GLU 37 0.567 15.031 6.100 313 HA GLU 37 HA GLU 37 -1.887 14.282 4.935 314 HB2 GLU 37 2HB GLU 37 -0.474 16.948 4.854 315 HB3 GLU 37 1HB GLU 37 -2.162 16.679 4.441 316 HG2 GLU 37 2HG GLU 37 -0.913 16.218 7.141 317 HG3 GLU 37 1HG GLU 37 -1.924 17.588 6.685 318 H GLU 38 H GLU 38 1.204 15.161 3.552 319 HA GLU 38 HA GLU 38 0.403 15.477 0.873 320 HB2 GLU 38 2HB GLU 38 3.028 14.592 2.068 321 HB3 GLU 38 1HB GLU 38 2.802 14.935 0.360 322 HG2 GLU 38 2HG GLU 38 2.343 16.905 2.578 323 HG3 GLU 38 1HG GLU 38 3.820 16.794 1.618 324 H ALA 39 H ALA 39 1.688 12.687 2.630 325 HA ALA 39 HA ALA 39 1.592 10.841 0.529 326 HB1 ALA 39 1HB ALA 39 1.697 9.132 2.283 327 HB2 ALA 39 2HB ALA 39 1.314 10.354 3.496 328 HB3 ALA 39 3HB ALA 39 2.829 10.447 2.598 329 H LEU 40 H LEU 40 -0.782 11.765 2.966 330 HA LEU 40 HA LEU 40 -2.726 9.831 2.466 331 HB2 LEU 40 2HB LEU 40 -2.719 11.325 4.415 332 HB3 LEU 40 1HB LEU 40 -3.114 12.679 3.377 333 HG LEU 40 HG LEU 40 -5.262 11.530 2.806 334 HD11 LEU 40 1HD1 LEU 40 -4.433 9.672 5.028 335 HD12 LEU 40 2HD1 LEU 40 -4.639 9.248 3.328 336 HD13 LEU 40 3HD1 LEU 40 -6.033 9.739 4.290 337 HD21 LEU 40 3HD2 LEU 40 -6.350 12.078 4.931 338 HD22 LEU 40 1HD2 LEU 40 -5.179 13.309 4.457 339 HD23 LEU 40 2HD2 LEU 40 -4.771 12.144 5.715 340 H GLU 41 H GLU 41 -2.403 13.102 1.073 341 HA GLU 41 HA GLU 41 -4.707 12.916 -0.541 342 HB2 GLU 41 2HB GLU 41 -2.252 14.620 -0.946 343 HB3 GLU 41 1HB GLU 41 -3.778 14.822 -1.792 344 HG2 GLU 41 2HG GLU 41 -4.849 15.176 0.452 345 HG3 GLU 41 1HG GLU 41 -3.221 15.234 1.127 346 H LEU 42 H LEU 42 -1.360 12.014 -1.105 347 HA LEU 42 HA LEU 42 -1.594 11.495 -3.868 348 HB2 LEU 42 2HB LEU 42 0.231 10.235 -1.815 349 HB3 LEU 42 1HB LEU 42 0.400 10.041 -3.547 350 HG LEU 42 HG LEU 42 0.675 12.643 -2.038 351 HD11 LEU 42 1HD1 LEU 42 2.746 10.887 -3.344 352 HD12 LEU 42 2HD1 LEU 42 2.523 11.123 -1.611 353 HD13 LEU 42 3HD1 LEU 42 3.040 12.470 -2.625 354 HD21 LEU 42 3HD2 LEU 42 1.487 13.528 -4.187 355 HD22 LEU 42 1HD2 LEU 42 -0.197 13.012 -4.274 356 HD23 LEU 42 2HD2 LEU 42 1.072 11.997 -4.959 357 H ILE 43 H ILE 43 -1.912 9.391 -1.038 358 HA ILE 43 HA ILE 43 -2.425 6.977 -2.321 359 HB ILE 43 HB ILE 43 -3.472 7.994 0.327 360 HG12 ILE 43 2HG1 ILE 43 -1.022 7.843 0.160 361 HG13 ILE 43 1HG1 ILE 43 -1.667 6.669 1.299 362 HG21 ILE 43 1HG2 ILE 43 -3.492 5.174 -0.737 363 HG22 ILE 43 2HG2 ILE 43 -4.903 6.192 -0.450 364 HG23 ILE 43 3HG2 ILE 43 -3.913 5.653 0.907 365 HD11 ILE 43 3HD1 ILE 43 -0.736 6.117 -1.509 366 HD12 ILE 43 1HD1 ILE 43 -1.456 4.926 -0.425 367 HD13 ILE 43 2HD1 ILE 43 0.085 5.675 -0.013 368 H ASN 44 H ASN 44 -4.811 9.322 -1.088 369 HA ASN 44 HA ASN 44 -7.066 7.949 -2.065 370 HB2 ASN 44 2HB ASN 44 -6.657 10.843 -1.315 371 HB3 ASN 44 1HB ASN 44 -8.211 10.224 -1.860 372 HD21 ASN 44 1HD2 ASN 44 -5.891 10.292 0.711 373 HD22 ASN 44 2HD2 ASN 44 -6.887 9.514 1.896 374 H GLY 45 H GLY 45 -5.029 10.440 -3.495 375 HA2 GLY 45 2HA GLY 45 -6.557 10.978 -5.776 376 HA3 GLY 45 1HA GLY 45 -4.813 11.165 -5.652 377 H TYR 46 H TYR 46 -3.901 8.644 -5.325 378 HA TYR 46 HA TYR 46 -3.869 7.575 -7.897 379 HB2 TYR 46 2HB TYR 46 -3.313 6.160 -5.278 380 HB3 TYR 46 1HB TYR 46 -2.910 5.520 -6.863 381 HD1 TYR 46 2HD TYR 46 -1.896 8.118 -8.100 382 HD2 TYR 46 1HD TYR 46 -1.171 6.294 -4.322 383 HE1 TYR 46 2HE TYR 46 0.285 9.244 -7.977 384 HE2 TYR 46 1HE TYR 46 1.010 7.417 -4.192 385 HH TYR 46 HH TYR 46 2.660 8.396 -5.701 386 H ILE 47 H ILE 47 -5.618 6.377 -5.048 387 HA ILE 47 HA ILE 47 -6.921 4.223 -6.205 388 HB ILE 47 HB ILE 47 -7.920 6.048 -4.007 389 HG12 ILE 47 2HG1 ILE 47 -6.488 3.383 -3.870 390 HG13 ILE 47 1HG1 ILE 47 -5.745 4.949 -3.569 391 HG21 ILE 47 1HG2 ILE 47 -8.867 3.291 -4.790 392 HG22 ILE 47 2HG2 ILE 47 -9.778 4.792 -4.940 393 HG23 ILE 47 3HG2 ILE 47 -9.366 4.167 -3.343 394 HD11 ILE 47 3HD1 ILE 47 -7.973 3.720 -1.961 395 HD12 ILE 47 1HD1 ILE 47 -7.208 5.278 -1.648 396 HD13 ILE 47 2HD1 ILE 47 -6.273 3.790 -1.496 397 H GLN 48 H GLN 48 -8.047 7.586 -5.965 398 HA GLN 48 HA GLN 48 -10.530 7.131 -7.219 399 HB2 GLN 48 2HB GLN 48 -8.924 9.667 -6.907 400 HB3 GLN 48 1HB GLN 48 -10.556 9.618 -7.560 401 HG2 GLN 48 2HG GLN 48 -9.712 8.784 -4.793 402 HG3 GLN 48 1HG GLN 48 -10.601 10.244 -5.229 403 HE21 GLN 48 1HE2 GLN 48 -11.330 8.033 -3.447 404 HE22 GLN 48 2HE2 GLN 48 -12.827 7.419 -4.052 405 H LYS 49 H LYS 49 -7.353 7.852 -8.533 406 HA LYS 49 HA LYS 49 -8.410 8.339 -11.166 407 HB2 LYS 49 2HB LYS 49 -5.581 8.017 -10.175 408 HB3 LYS 49 1HB LYS 49 -6.004 8.355 -11.849 409 HG2 LYS 49 2HG LYS 49 -7.054 10.446 -11.185 410 HG3 LYS 49 1HG LYS 49 -6.684 10.107 -9.495 411 HD2 LYS 49 2HD LYS 49 -5.063 11.665 -10.401 412 HD3 LYS 49 1HD LYS 49 -4.280 10.126 -10.044 413 HE2 LYS 49 2HE LYS 49 -3.524 11.015 -12.178 414 HE3 LYS 49 1HE LYS 49 -4.408 9.512 -12.409 415 HZ1 LYS 49 3HZ LYS 49 -5.026 11.168 -14.043 416 HZ2 LYS 49 1HZ LYS 49 -5.501 12.244 -12.833 417 HZ3 LYS 49 2HZ LYS 49 -6.360 10.803 -13.071 418 H ILE 50 H ILE 50 -7.085 5.605 -9.432 419 HA ILE 50 HA ILE 50 -6.750 3.902 -11.677 420 HB ILE 50 HB ILE 50 -7.320 3.197 -8.781 421 HG12 ILE 50 2HG1 ILE 50 -4.722 3.157 -10.338 422 HG13 ILE 50 1HG1 ILE 50 -5.190 4.406 -9.189 423 HG21 ILE 50 1HG2 ILE 50 -6.518 0.939 -9.338 424 HG22 ILE 50 2HG2 ILE 50 -6.408 1.405 -11.036 425 HG23 ILE 50 3HG2 ILE 50 -7.979 1.357 -10.235 426 HD11 ILE 50 3HD1 ILE 50 -4.739 1.498 -8.554 427 HD12 ILE 50 1HD1 ILE 50 -5.208 2.744 -7.398 428 HD13 ILE 50 2HD1 ILE 50 -3.637 2.826 -8.194 429 H LYS 51 H LYS 51 -9.416 4.395 -9.396 430 HA LYS 51 HA LYS 51 -11.181 2.531 -10.593 431 HB2 LYS 51 2HB LYS 51 -11.738 4.921 -8.831 432 HB3 LYS 51 1HB LYS 51 -12.941 3.725 -9.286 433 HG2 LYS 51 2HG LYS 51 -10.418 3.118 -7.757 434 HG3 LYS 51 1HG LYS 51 -11.998 3.385 -7.024 435 HD2 LYS 51 2HD LYS 51 -11.618 1.278 -9.132 436 HD3 LYS 51 1HD LYS 51 -11.204 0.956 -7.453 437 HE2 LYS 51 2HE LYS 51 -13.441 0.166 -7.862 438 HE3 LYS 51 1HE LYS 51 -13.522 1.572 -6.808 439 HZ1 LYS 51 3HZ LYS 51 -15.203 1.509 -8.605 440 HZ2 LYS 51 1HZ LYS 51 -13.974 1.686 -9.746 441 HZ3 LYS 51 2HZ LYS 51 -14.273 2.911 -8.615 442 H SER 52 H SER 52 -10.441 5.866 -11.236 443 HA SER 52 HA SER 52 -12.690 6.403 -12.890 444 HB2 SER 52 2HB SER 52 -11.335 8.184 -11.818 445 HB3 SER 52 1HB SER 52 -9.976 7.751 -12.852 446 HG SER 52 HG SER 52 -12.457 8.898 -13.571 447 H GLY 53 H GLY 53 -9.881 4.552 -13.312 448 HA2 GLY 53 2HA GLY 53 -9.429 3.163 -15.121 449 HA3 GLY 53 1HA GLY 53 -10.565 4.087 -16.092 450 H GLU 54 H GLU 54 -8.176 5.785 -14.279 451 HA GLU 54 HA GLU 54 -6.895 6.565 -16.792 452 HB2 GLU 54 2HB GLU 54 -6.638 7.769 -14.037 453 HB3 GLU 54 1HB GLU 54 -5.915 8.400 -15.506 454 HG2 GLU 54 2HG GLU 54 -8.169 8.777 -16.415 455 HG3 GLU 54 1HG GLU 54 -8.850 8.218 -14.885 456 H GLU 55 H GLU 55 -5.964 5.726 -13.475 457 HA GLU 55 HA GLU 55 -3.260 5.149 -14.410 458 HB2 GLU 55 2HB GLU 55 -4.323 5.307 -11.591 459 HB3 GLU 55 1HB GLU 55 -2.636 5.159 -12.061 460 HG2 GLU 55 2HG GLU 55 -4.419 7.486 -12.716 461 HG3 GLU 55 1HG GLU 55 -3.255 7.439 -11.393 462 H ASP 56 H ASP 56 -2.181 3.343 -13.140 463 HA ASP 56 HA ASP 56 -3.930 1.011 -12.815 464 HB2 ASP 56 2HB ASP 56 -2.956 0.643 -14.956 465 HB3 ASP 56 1HB ASP 56 -1.383 1.221 -14.422 466 H PHE 57 H PHE 57 -3.440 -0.235 -11.062 467 HA PHE 57 HA PHE 57 -1.993 0.929 -8.976 468 HB2 PHE 57 2HB PHE 57 -3.839 -0.726 -8.704 469 HB3 PHE 57 1HB PHE 57 -2.731 -1.988 -9.229 470 HD1 PHE 57 2HD PHE 57 -0.885 -2.701 -7.796 471 HD2 PHE 57 1HD PHE 57 -3.672 0.249 -6.526 472 HE1 PHE 57 2HE PHE 57 -0.117 -2.976 -5.476 473 HE2 PHE 57 1HE PHE 57 -2.909 -0.025 -4.212 474 HZ PHE 57 HZ PHE 57 -1.130 -1.638 -3.681 475 H GLU 58 H GLU 58 -1.114 -1.822 -11.061 476 HA GLU 58 HA GLU 58 1.331 -2.440 -9.855 477 HB2 GLU 58 2HB GLU 58 0.659 -2.663 -12.788 478 HB3 GLU 58 1HB GLU 58 1.935 -3.528 -11.951 479 HG2 GLU 58 2HG GLU 58 0.202 -4.647 -10.582 480 HG3 GLU 58 1HG GLU 58 -1.027 -3.852 -11.566 481 H SER 59 H SER 59 0.614 -0.310 -12.570 482 HA SER 59 HA SER 59 3.216 0.517 -13.140 483 HB2 SER 59 2HB SER 59 0.679 2.130 -13.462 484 HB3 SER 59 1HB SER 59 2.185 2.340 -14.357 485 HG SER 59 HG SER 59 0.371 0.149 -14.455 486 H LEU 60 H LEU 60 0.789 1.980 -10.983 487 HA LEU 60 HA LEU 60 2.400 4.172 -10.221 488 HB2 LEU 60 2HB LEU 60 0.067 2.876 -8.827 489 HB3 LEU 60 1HB LEU 60 0.814 4.372 -8.304 490 HG LEU 60 HG LEU 60 -0.587 3.939 -10.943 491 HD11 LEU 60 1HD1 LEU 60 -2.277 5.449 -10.015 492 HD12 LEU 60 2HD1 LEU 60 -1.413 5.457 -8.478 493 HD13 LEU 60 3HD1 LEU 60 -2.131 3.962 -9.079 494 HD21 LEU 60 3HD2 LEU 60 -0.354 6.378 -11.191 495 HD22 LEU 60 1HD2 LEU 60 1.208 5.562 -11.156 496 HD23 LEU 60 2HD2 LEU 60 0.630 6.420 -9.729 497 H ALA 61 H ALA 61 1.887 0.980 -8.787 498 HA ALA 61 HA ALA 61 3.442 1.480 -6.461 499 HB1 ALA 61 1HB ALA 61 3.333 -0.924 -6.092 500 HB2 ALA 61 2HB ALA 61 2.757 -1.167 -7.741 501 HB3 ALA 61 3HB ALA 61 1.756 -0.302 -6.576 502 H SER 62 H SER 62 4.281 0.709 -9.697 503 HA SER 62 HA SER 62 6.896 -0.304 -9.022 504 HB2 SER 62 2HB SER 62 5.745 0.514 -11.700 505 HB3 SER 62 1HB SER 62 7.269 -0.340 -11.452 506 HG SER 62 HG SER 62 4.639 -1.247 -10.893 507 H GLN 63 H GLN 63 5.475 2.728 -9.252 508 HA GLN 63 HA GLN 63 8.080 4.006 -9.738 509 HB2 GLN 63 2HB GLN 63 5.313 5.130 -10.186 510 HB3 GLN 63 1HB GLN 63 6.813 6.015 -10.423 511 HG2 GLN 63 2HG GLN 63 7.462 4.426 -12.172 512 HG3 GLN 63 1HG GLN 63 5.942 3.565 -11.941 513 HE21 GLN 63 1HE2 GLN 63 4.452 6.056 -11.506 514 HE22 GLN 63 2HE2 GLN 63 4.273 6.783 -13.059 515 H PHE 64 H PHE 64 5.011 4.667 -8.031 516 HA PHE 64 HA PHE 64 6.589 6.083 -6.013 517 HB2 PHE 64 2HB PHE 64 3.677 6.382 -6.747 518 HB3 PHE 64 1HB PHE 64 4.457 7.217 -5.408 519 HD1 PHE 64 2HD PHE 64 6.137 8.941 -5.831 520 HD2 PHE 64 1HD PHE 64 4.031 7.056 -9.010 521 HE1 PHE 64 2HE PHE 64 6.850 10.730 -7.359 522 HE2 PHE 64 1HE PHE 64 4.742 8.840 -10.544 523 HZ PHE 64 HZ PHE 64 6.152 10.678 -9.719 524 H SER 65 H SER 65 7.066 3.918 -5.220 525 HA SER 65 HA SER 65 5.319 3.389 -2.983 526 HB2 SER 65 2HB SER 65 4.591 1.776 -4.743 527 HB3 SER 65 1HB SER 65 6.239 1.162 -4.829 528 HG SER 65 HG SER 65 5.648 -0.123 -3.296 529 H ASP 66 H ASP 66 6.607 3.577 -1.319 530 HA ASP 66 HA ASP 66 9.479 3.464 -1.580 531 HB2 ASP 66 2HB ASP 66 7.848 3.792 0.944 532 HB3 ASP 66 1HB ASP 66 9.537 4.222 0.710 533 H CYS 67 H CYS 67 8.380 0.991 -2.144 534 HA CYS 67 HA CYS 67 9.485 -0.624 0.020 535 HB2 CYS 67 2HB CYS 67 7.001 -0.585 0.254 536 HB3 CYS 67 1HB CYS 67 6.866 -1.234 -1.374 537 HG CYS 67 HG CYS 67 8.423 -2.879 1.191 538 H SER 68 H SER 68 9.947 -2.868 -0.753 539 HA SER 68 HA SER 68 11.374 -2.777 -3.200 540 HB2 SER 68 2HB SER 68 12.041 -4.144 -1.224 541 HB3 SER 68 1HB SER 68 10.670 -5.206 -1.536 542 HG SER 68 HG SER 68 11.733 -5.301 -3.765 543 H SER 69 H SER 69 8.120 -3.170 -2.625 544 HA SER 69 HA SER 69 7.423 -5.160 -4.506 545 HB2 SER 69 2HB SER 69 5.147 -4.123 -4.345 546 HB3 SER 69 1HB SER 69 5.852 -4.557 -2.792 547 HG SER 69 HG SER 69 4.828 -2.353 -3.144 548 H ALA 70 H ALA 70 8.494 -1.950 -4.819 549 HA ALA 70 HA ALA 70 7.207 -1.105 -7.145 550 HB1 ALA 70 1HB ALA 70 9.043 0.472 -7.386 551 HB2 ALA 70 2HB ALA 70 9.997 -0.443 -6.219 552 HB3 ALA 70 3HB ALA 70 8.520 0.372 -5.705 553 H LYS 71 H LYS 71 9.693 -3.457 -6.695 554 HA LYS 71 HA LYS 71 10.337 -3.435 -9.554 555 HB2 LYS 71 2HB LYS 71 11.629 -4.993 -7.309 556 HB3 LYS 71 1HB LYS 71 12.187 -4.925 -8.974 557 HG2 LYS 71 2HG LYS 71 12.106 -2.633 -7.021 558 HG3 LYS 71 1HG LYS 71 13.541 -3.496 -7.573 559 HD2 LYS 71 2HD LYS 71 13.073 -2.740 -9.878 560 HD3 LYS 71 1HD LYS 71 11.686 -1.829 -9.277 561 HE2 LYS 71 2HE LYS 71 13.581 -0.347 -9.551 562 HE3 LYS 71 1HE LYS 71 13.200 -0.520 -7.839 563 HZ1 LYS 71 3HZ LYS 71 15.582 -0.642 -8.263 564 HZ2 LYS 71 1HZ LYS 71 15.354 -1.982 -9.268 565 HZ3 LYS 71 2HZ LYS 71 15.006 -2.088 -7.617 566 H ALA 72 H ALA 72 8.085 -4.782 -7.637 567 HA ALA 72 HA ALA 72 8.011 -7.285 -9.195 568 HB1 ALA 72 1HB ALA 72 6.944 -8.367 -7.287 569 HB2 ALA 72 2HB ALA 72 7.034 -6.863 -6.370 570 HB3 ALA 72 3HB ALA 72 8.514 -7.704 -6.830 571 H ARG 73 H ARG 73 6.777 -4.501 -9.482 572 HA ARG 73 HA ARG 73 4.866 -3.595 -10.320 573 HB2 ARG 73 2HB ARG 73 3.934 -6.464 -10.534 574 HB3 ARG 73 1HB ARG 73 3.162 -5.083 -11.297 575 HG2 ARG 73 2HG ARG 73 5.114 -4.709 -12.670 576 HG3 ARG 73 1HG ARG 73 5.964 -6.022 -11.852 577 HD2 ARG 73 2HD ARG 73 5.111 -6.800 -13.967 578 HD3 ARG 73 1HD ARG 73 4.250 -7.594 -12.655 579 HE ARG 73 HE ARG 73 2.386 -6.088 -13.087 580 HH11 ARG 73 1HH1 ARG 73 4.823 -6.424 -15.599 581 HH12 ARG 73 2HH1 ARG 73 3.770 -5.899 -16.863 582 HH21 ARG 73 1HH2 ARG 73 0.991 -5.396 -14.771 583 HH22 ARG 73 2HH2 ARG 73 1.593 -5.298 -16.395 584 H GLY 74 H GLY 74 5.178 -4.396 -7.408 585 HA2 GLY 74 2HA GLY 74 3.794 -3.527 -5.679 586 HA3 GLY 74 1HA GLY 74 2.392 -3.834 -6.690 587 H ASP 75 H ASP 75 3.615 -6.532 -7.332 588 HA ASP 75 HA ASP 75 2.054 -8.077 -5.631 589 HB2 ASP 75 2HB ASP 75 2.697 -8.958 -7.752 590 HB3 ASP 75 1HB ASP 75 4.406 -8.832 -7.356 591 H LEU 76 H LEU 76 2.248 -8.698 -3.637 592 HA LEU 76 HA LEU 76 4.707 -8.279 -2.154 593 HB2 LEU 76 2HB LEU 76 2.169 -7.879 -1.483 594 HB3 LEU 76 1HB LEU 76 2.255 -9.561 -1.017 595 HG LEU 76 HG LEU 76 4.071 -7.413 0.083 596 HD11 LEU 76 1HD1 LEU 76 2.675 -7.479 2.075 597 HD12 LEU 76 2HD1 LEU 76 1.574 -8.600 1.275 598 HD13 LEU 76 3HD1 LEU 76 1.755 -6.955 0.665 599 HD21 LEU 76 3HD2 LEU 76 4.536 -9.058 1.832 600 HD22 LEU 76 1HD2 LEU 76 4.984 -9.673 0.241 601 HD23 LEU 76 2HD2 LEU 76 3.499 -10.227 1.015 602 H GLY 77 H GLY 77 2.770 -10.872 -3.441 603 HA2 GLY 77 2HA GLY 77 3.669 -13.022 -3.917 604 HA3 GLY 77 1HA GLY 77 4.801 -12.805 -2.583 605 H ALA 78 H ALA 78 3.569 -15.119 -2.512 606 HA ALA 78 HA ALA 78 1.074 -14.979 -1.072 607 HB1 ALA 78 1HB ALA 78 1.257 -17.419 -0.943 608 HB2 ALA 78 2HB ALA 78 2.891 -17.333 -1.602 609 HB3 ALA 78 3HB ALA 78 1.515 -16.844 -2.590 610 H PHE 79 H PHE 79 0.970 -14.498 1.008 611 HA PHE 79 HA PHE 79 3.098 -15.470 2.784 612 HB2 PHE 79 2HB PHE 79 3.150 -13.333 3.977 613 HB3 PHE 79 1HB PHE 79 3.577 -13.107 2.287 614 HD1 PHE 79 2HD PHE 79 1.860 -12.136 0.721 615 HD2 PHE 79 1HD PHE 79 1.327 -12.193 4.942 616 HE1 PHE 79 2HE PHE 79 0.135 -10.397 0.522 617 HE2 PHE 79 1HE PHE 79 -0.400 -10.452 4.750 618 HZ PHE 79 HZ PHE 79 -0.998 -9.552 2.539 619 H SER 80 H SER 80 2.473 -15.583 5.028 620 HA SER 80 HA SER 80 -0.368 -16.152 5.335 621 HB2 SER 80 2HB SER 80 0.385 -17.171 7.520 622 HB3 SER 80 1HB SER 80 1.079 -17.924 6.084 623 HG SER 80 HG SER 80 3.004 -17.202 6.610 624 H ARG 81 H ARG 81 -1.219 -15.560 7.634 625 HA ARG 81 HA ARG 81 -1.316 -12.749 7.715 626 HB2 ARG 81 2HB ARG 81 -2.820 -12.985 9.551 627 HB3 ARG 81 1HB ARG 81 -3.139 -14.307 8.442 628 HG2 ARG 81 2HG ARG 81 -1.632 -15.703 9.953 629 HG3 ARG 81 1HG ARG 81 -1.790 -14.389 11.115 630 HD2 ARG 81 2HD ARG 81 -3.967 -16.113 9.961 631 HD3 ARG 81 1HD ARG 81 -3.454 -16.010 11.641 632 HE ARG 81 HE ARG 81 -4.271 -13.503 11.174 633 HH11 ARG 81 1HH1 ARG 81 -5.758 -16.612 10.508 634 HH12 ARG 81 2HH1 ARG 81 -7.382 -16.008 10.569 635 HH21 ARG 81 1HH2 ARG 81 -6.449 -12.693 11.268 636 HH22 ARG 81 2HH2 ARG 81 -7.767 -13.787 11.007 637 H GLY 82 H GLY 82 0.611 -15.060 9.518 638 HA2 GLY 82 2HA GLY 82 1.459 -13.218 11.536 639 HA3 GLY 82 1HA GLY 82 2.171 -14.785 11.195 640 H GLN 83 H GLN 83 2.317 -13.567 8.291 641 HA GLN 83 HA GLN 83 5.018 -12.510 8.698 642 HB2 GLN 83 2HB GLN 83 3.624 -13.374 6.159 643 HB3 GLN 83 1HB GLN 83 5.304 -12.878 6.284 644 HG2 GLN 83 2HG GLN 83 5.747 -14.794 7.743 645 HG3 GLN 83 1HG GLN 83 4.064 -15.295 7.575 646 HE21 GLN 83 1HE2 GLN 83 7.150 -15.052 6.027 647 HE22 GLN 83 2HE2 GLN 83 6.771 -16.038 4.660 648 H MET 84 H MET 84 2.484 -10.987 9.159 649 HA MET 84 HA MET 84 3.196 -8.677 7.545 650 HB2 MET 84 2HB MET 84 1.473 -9.885 6.261 651 HB3 MET 84 1HB MET 84 0.390 -9.787 7.639 652 HG2 MET 84 2HG MET 84 -0.046 -8.138 5.848 653 HG3 MET 84 1HG MET 84 0.221 -7.438 7.444 654 HE1 MET 84 3HE MET 84 3.437 -7.466 4.125 655 HE2 MET 84 1HE MET 84 1.857 -8.233 3.963 656 HE3 MET 84 2HE MET 84 3.043 -8.885 5.095 657 H GLN 85 H GLN 85 2.249 -6.678 8.336 658 HA GLN 85 HA GLN 85 2.275 -6.491 11.163 659 HB2 GLN 85 2HB GLN 85 1.541 -4.505 9.017 660 HB3 GLN 85 1HB GLN 85 1.549 -4.101 10.727 661 HG2 GLN 85 2HG GLN 85 3.933 -4.744 10.819 662 HG3 GLN 85 1HG GLN 85 3.893 -5.007 9.078 663 HE21 GLN 85 1HE2 GLN 85 5.462 -3.439 8.758 664 HE22 GLN 85 2HE2 GLN 85 5.119 -1.745 8.901 665 H LYS 86 H LYS 86 0.569 -5.595 12.501 666 HA LYS 86 HA LYS 86 -1.691 -7.219 12.440 667 HB2 LYS 86 2HB LYS 86 -1.583 -4.600 13.931 668 HB3 LYS 86 1HB LYS 86 -2.487 -6.044 14.350 669 HG2 LYS 86 2HG LYS 86 0.504 -5.698 14.450 670 HG3 LYS 86 1HG LYS 86 -0.599 -5.805 15.819 671 HD2 LYS 86 2HD LYS 86 -1.161 -8.100 15.190 672 HD3 LYS 86 1HD LYS 86 -0.075 -7.989 13.802 673 HE2 LYS 86 2HE LYS 86 1.801 -7.556 15.368 674 HE3 LYS 86 1HE LYS 86 0.693 -7.809 16.714 675 HZ1 LYS 86 3HZ LYS 86 0.331 -10.062 15.959 676 HZ2 LYS 86 1HZ LYS 86 1.980 -9.792 16.204 677 HZ3 LYS 86 2HZ LYS 86 1.355 -9.820 14.636 678 HA PRO 87 HA PRO 87 -4.410 -3.414 10.989 679 HB2 PRO 87 2HB PRO 87 -3.053 -1.495 9.563 680 HB3 PRO 87 1HB PRO 87 -3.439 -1.361 11.281 681 HG2 PRO 87 2HG PRO 87 -0.889 -2.228 9.975 682 HG3 PRO 87 1HG PRO 87 -1.124 -1.154 11.366 683 HD2 PRO 87 2HD PRO 87 -0.388 -3.701 11.694 684 HD3 PRO 87 1HD PRO 87 -1.518 -2.917 12.818 685 H PHE 88 H PHE 88 -1.558 -4.170 9.048 686 HA PHE 88 HA PHE 88 -2.886 -3.999 6.541 687 HB2 PHE 88 2HB PHE 88 -0.372 -3.806 7.041 688 HB3 PHE 88 1HB PHE 88 -0.366 -5.561 7.075 689 HD1 PHE 88 1HD PHE 88 -1.157 -6.786 4.968 690 HD2 PHE 88 2HD PHE 88 -0.187 -2.648 5.041 691 HE1 PHE 88 1HE PHE 88 -0.845 -6.823 2.533 692 HE2 PHE 88 2HE PHE 88 0.119 -2.679 2.602 693 HZ PHE 88 HZ PHE 88 -0.211 -4.766 1.348 694 H GLU 89 H GLU 89 -2.225 -6.598 8.820 695 HA GLU 89 HA GLU 89 -2.850 -8.823 7.260 696 HB2 GLU 89 2HB GLU 89 -1.862 -8.948 9.522 697 HB3 GLU 89 1HB GLU 89 -3.384 -8.405 10.212 698 HG2 GLU 89 2HG GLU 89 -4.424 -10.457 9.126 699 HG3 GLU 89 1HG GLU 89 -2.773 -11.013 8.865 700 H ASP 90 H ASP 90 -4.987 -7.186 9.587 701 HA ASP 90 HA ASP 90 -7.316 -8.561 8.915 702 HB2 ASP 90 2HB ASP 90 -6.907 -5.852 10.171 703 HB3 ASP 90 1HB ASP 90 -8.504 -6.557 9.949 704 H ALA 91 H ALA 91 -5.995 -5.585 7.596 705 HA ALA 91 HA ALA 91 -8.223 -4.838 6.076 706 HB1 ALA 91 1HB ALA 91 -6.700 -3.412 4.836 707 HB2 ALA 91 2HB ALA 91 -5.318 -4.288 5.495 708 HB3 ALA 91 3HB ALA 91 -6.349 -3.336 6.563 709 H SER 92 H SER 92 -5.416 -6.836 5.215 710 HA SER 92 HA SER 92 -6.170 -7.143 2.486 711 HB2 SER 92 2HB SER 92 -4.299 -8.863 4.120 712 HB3 SER 92 1HB SER 92 -4.369 -8.763 2.361 713 HG SER 92 HG SER 92 -3.588 -6.753 4.197 714 H PHE 93 H PHE 93 -6.441 -9.278 5.319 715 HA PHE 93 HA PHE 93 -7.520 -11.440 3.833 716 HB2 PHE 93 2HB PHE 93 -7.368 -10.879 6.786 717 HB3 PHE 93 1HB PHE 93 -8.150 -12.323 6.148 718 HD1 PHE 93 2HD PHE 93 -4.932 -10.506 6.328 719 HD2 PHE 93 1HD PHE 93 -6.883 -14.174 5.425 720 HE1 PHE 93 2HE PHE 93 -2.749 -11.629 6.198 721 HE2 PHE 93 1HE PHE 93 -4.701 -15.303 5.294 722 HZ PHE 93 HZ PHE 93 -2.632 -14.031 5.681 723 H ALA 94 H ALA 94 -8.974 -8.605 5.117 724 HA ALA 94 HA ALA 94 -11.630 -9.806 5.041 725 HB1 ALA 94 1HB ALA 94 -11.132 -8.342 6.911 726 HB2 ALA 94 2HB ALA 94 -12.424 -7.661 5.922 727 HB3 ALA 94 3HB ALA 94 -10.786 -7.017 5.804 728 H LEU 95 H LEU 95 -9.626 -8.693 2.755 729 HA LEU 95 HA LEU 95 -11.562 -7.143 1.244 730 HB2 LEU 95 2HB LEU 95 -8.775 -8.092 0.606 731 HB3 LEU 95 1HB LEU 95 -9.777 -7.239 -0.547 732 HG LEU 95 HG LEU 95 -8.798 -6.139 2.086 733 HD11 LEU 95 1HD1 LEU 95 -7.974 -5.512 -0.744 734 HD12 LEU 95 2HD1 LEU 95 -7.025 -6.428 0.425 735 HD13 LEU 95 3HD1 LEU 95 -7.374 -4.725 0.715 736 HD21 LEU 95 3HD2 LEU 95 -9.688 -4.009 1.253 737 HD22 LEU 95 1HD2 LEU 95 -10.956 -5.213 1.463 738 HD23 LEU 95 2HD2 LEU 95 -10.352 -4.842 -0.151 739 H ARG 96 H ARG 96 -12.512 -7.799 -0.658 740 HA ARG 96 HA ARG 96 -13.030 -10.639 -0.807 741 HB2 ARG 96 2HB ARG 96 -14.091 -8.350 -2.466 742 HB3 ARG 96 1HB ARG 96 -14.681 -10.005 -2.518 743 HG2 ARG 96 2HG ARG 96 -15.510 -9.871 -0.296 744 HG3 ARG 96 1HG ARG 96 -14.702 -8.326 -0.026 745 HD2 ARG 96 2HD ARG 96 -16.118 -7.295 -1.727 746 HD3 ARG 96 1HD ARG 96 -16.930 -8.837 -1.990 747 HE ARG 96 HE ARG 96 -17.896 -8.651 0.175 748 HH11 ARG 96 1HH1 ARG 96 -16.110 -5.773 -0.802 749 HH12 ARG 96 2HH1 ARG 96 -16.991 -4.727 0.263 750 HH21 ARG 96 1HH2 ARG 96 -19.034 -7.264 1.581 751 HH22 ARG 96 2HH2 ARG 96 -18.660 -5.575 1.623 752 H THR 97 H THR 97 -13.387 -11.293 -3.356 753 HA THR 97 HA THR 97 -10.790 -11.876 -4.259 754 HB THR 97 HB THR 97 -13.373 -12.068 -5.827 755 HG1 THR 97 1HG THR 97 -12.132 -13.843 -3.971 756 HG21 THR 97 3HG2 THR 97 -12.230 -13.896 -7.003 757 HG22 THR 97 1HG2 THR 97 -10.776 -13.602 -6.049 758 HG23 THR 97 2HG2 THR 97 -11.349 -12.378 -7.181 759 H GLY 98 H GLY 98 -9.404 -10.603 -5.283 760 HA2 GLY 98 2HA GLY 98 -8.521 -8.958 -6.623 761 HA3 GLY 98 1HA GLY 98 -9.972 -9.120 -7.600 762 H GLU 99 H GLU 99 -10.127 -8.195 -4.246 763 HA GLU 99 HA GLU 99 -11.286 -5.642 -5.051 764 HB2 GLU 99 2HB GLU 99 -12.493 -7.182 -3.504 765 HB3 GLU 99 1HB GLU 99 -11.210 -6.954 -2.330 766 HG2 GLU 99 2HG GLU 99 -11.771 -4.624 -2.106 767 HG3 GLU 99 1HG GLU 99 -12.965 -4.758 -3.397 768 H MET 100 H MET 100 -10.676 -3.658 -4.014 769 HA MET 100 HA MET 100 -7.898 -3.644 -3.027 770 HB2 MET 100 2HB MET 100 -8.108 -2.721 -5.309 771 HB3 MET 100 1HB MET 100 -9.280 -1.556 -4.720 772 HG2 MET 100 2HG MET 100 -7.589 -0.527 -3.315 773 HG3 MET 100 1HG MET 100 -6.407 -1.727 -3.833 774 HE1 MET 100 3HE MET 100 -8.244 1.468 -6.617 775 HE2 MET 100 1HE MET 100 -8.699 1.231 -4.931 776 HE3 MET 100 2HE MET 100 -9.131 0.021 -6.140 777 H SER 101 H SER 101 -7.477 -2.511 -1.207 778 HA SER 101 HA SER 101 -9.743 -1.536 0.319 779 HB2 SER 101 2HB SER 101 -8.120 -1.367 2.160 780 HB3 SER 101 1HB SER 101 -8.041 -2.954 1.400 781 HG SER 101 HG SER 101 -6.151 -0.982 1.552 782 H GLY 102 H GLY 102 -8.899 0.453 1.814 783 HA2 GLY 102 2HA GLY 102 -8.245 2.591 -0.085 784 HA3 GLY 102 1HA GLY 102 -9.087 2.804 1.448 785 HA PRO 103 HA PRO 103 -4.728 4.042 2.259 786 HB2 PRO 103 2HB PRO 103 -6.057 5.728 4.285 787 HB3 PRO 103 1HB PRO 103 -4.916 6.191 3.020 788 HG2 PRO 103 2HG PRO 103 -7.515 6.844 2.871 789 HG3 PRO 103 1HG PRO 103 -6.572 6.433 1.426 790 HD2 PRO 103 2HD PRO 103 -8.518 4.753 2.961 791 HD3 PRO 103 1HD PRO 103 -8.298 4.904 1.205 792 H VAL 104 H VAL 104 -3.980 2.233 3.277 793 HA VAL 104 HA VAL 104 -4.971 1.575 5.951 794 HB VAL 104 HB VAL 104 -2.943 0.115 4.233 795 HG11 VAL 104 1HG1 VAL 104 -4.347 -0.745 6.763 796 HG12 VAL 104 2HG1 VAL 104 -2.641 -0.329 6.611 797 HG13 VAL 104 3HG1 VAL 104 -3.278 -1.752 5.787 798 HG21 VAL 104 3HG2 VAL 104 -5.158 0.107 3.210 799 HG22 VAL 104 1HG2 VAL 104 -5.861 -0.487 4.715 800 HG23 VAL 104 2HG2 VAL 104 -4.737 -1.498 3.807 801 H PHE 105 H PHE 105 -3.993 2.420 7.659 802 HA PHE 105 HA PHE 105 -1.442 3.757 7.323 803 HB2 PHE 105 2HB PHE 105 -3.221 3.590 9.761 804 HB3 PHE 105 1HB PHE 105 -1.846 4.668 9.548 805 HD1 PHE 105 1HD PHE 105 -1.958 6.344 7.620 806 HD2 PHE 105 2HD PHE 105 -5.348 4.250 9.108 807 HE1 PHE 105 1HE PHE 105 -3.436 8.030 6.611 808 HE2 PHE 105 2HE PHE 105 -6.833 5.932 8.103 809 HZ PHE 105 HZ PHE 105 -5.877 7.826 6.850 810 H THR 106 H THR 106 0.468 3.148 8.151 811 HA THR 106 HA THR 106 0.561 0.795 9.907 812 HB THR 106 HB THR 106 2.527 -0.044 8.585 813 HG1 THR 106 1HG THR 106 1.715 2.123 6.970 814 HG21 THR 106 3HG2 THR 106 -0.089 0.143 7.078 815 HG22 THR 106 1HG2 THR 106 0.315 -1.064 8.299 816 HG23 THR 106 2HG2 THR 106 1.192 -1.029 6.769 817 H ASP 107 H ASP 107 3.342 0.547 9.954 818 HA ASP 107 HA ASP 107 4.001 2.575 11.842 819 HB2 ASP 107 2HB ASP 107 5.974 1.294 12.257 820 HB3 ASP 107 1HB ASP 107 4.652 0.159 12.009 821 H SER 108 H SER 108 4.840 1.976 8.492 822 HA SER 108 HA SER 108 6.873 4.078 8.609 823 HB2 SER 108 2HB SER 108 6.222 2.196 6.337 824 HB3 SER 108 1HB SER 108 7.607 3.284 6.434 825 HG SER 108 HG SER 108 7.179 1.441 8.505 826 H GLY 109 H GLY 109 3.718 3.425 7.257 827 HA2 GLY 109 2HA GLY 109 3.047 6.074 6.877 828 HA3 GLY 109 1HA GLY 109 3.754 5.543 5.359 829 H ILE 110 H ILE 110 1.962 5.592 4.116 830 HA ILE 110 HA ILE 110 -0.353 4.036 5.032 831 HB ILE 110 HB ILE 110 -0.254 6.016 2.748 832 HG12 ILE 110 2HG1 ILE 110 -1.246 6.439 5.578 833 HG13 ILE 110 1HG1 ILE 110 0.247 7.100 4.923 834 HG21 ILE 110 1HG2 ILE 110 -2.555 4.741 4.233 835 HG22 ILE 110 2HG2 ILE 110 -2.060 4.397 2.575 836 HG23 ILE 110 3HG2 ILE 110 -2.711 5.982 2.991 837 HD11 ILE 110 3HD1 ILE 110 -1.516 8.765 4.973 838 HD12 ILE 110 1HD1 ILE 110 -2.535 7.734 3.969 839 HD13 ILE 110 2HD1 ILE 110 -1.041 8.404 3.314 840 H HIS 111 H HIS 111 -1.162 2.383 3.815 841 HA HIS 111 HA HIS 111 0.375 1.604 1.418 842 HB2 HIS 111 2HB HIS 111 -0.767 -0.179 3.580 843 HB3 HIS 111 1HB HIS 111 -0.165 -0.765 2.039 844 HD1 HIS 111 1HD HIS 111 2.079 -1.743 2.299 845 HD2 HIS 111 2HD HIS 111 1.481 1.435 4.888 846 HE1 HIS 111 1HE HIS 111 4.189 -1.576 3.647 847 HE2 HIS 111 2HE HIS 111 3.668 0.161 5.389 848 H ILE 112 H ILE 112 -0.771 0.652 -0.236 849 HA ILE 112 HA ILE 112 -3.708 0.630 0.021 850 HB ILE 112 HB ILE 112 -2.164 0.880 -2.578 851 HG12 ILE 112 2HG1 ILE 112 -3.502 3.092 -1.002 852 HG13 ILE 112 1HG1 ILE 112 -1.762 2.868 -1.153 853 HG21 ILE 112 1HG2 ILE 112 -5.070 1.365 -1.901 854 HG22 ILE 112 2HG2 ILE 112 -4.431 -0.044 -2.745 855 HG23 ILE 112 3HG2 ILE 112 -4.338 1.551 -3.495 856 HD11 ILE 112 3HD1 ILE 112 -2.546 4.612 -2.645 857 HD12 ILE 112 1HD1 ILE 112 -3.673 3.484 -3.398 858 HD13 ILE 112 2HD1 ILE 112 -1.936 3.240 -3.567 859 H ILE 113 H ILE 113 -4.649 -1.337 -0.299 860 HA ILE 113 HA ILE 113 -2.836 -3.517 -1.081 861 HB ILE 113 HB ILE 113 -5.323 -3.780 0.608 862 HG12 ILE 113 2HG1 ILE 113 -2.452 -3.657 1.556 863 HG13 ILE 113 1HG1 ILE 113 -3.595 -2.325 1.683 864 HG21 ILE 113 1HG2 ILE 113 -2.987 -5.634 0.124 865 HG22 ILE 113 2HG2 ILE 113 -4.617 -5.822 -0.522 866 HG23 ILE 113 3HG2 ILE 113 -4.337 -5.950 1.215 867 HD11 ILE 113 3HD1 ILE 113 -3.388 -3.511 3.785 868 HD12 ILE 113 1HD1 ILE 113 -3.860 -5.017 2.998 869 HD13 ILE 113 2HD1 ILE 113 -5.014 -3.690 3.124 870 H LEU 114 H LEU 114 -3.252 -4.419 -2.948 871 HA LEU 114 HA LEU 114 -6.041 -4.547 -3.890 872 HB2 LEU 114 2HB LEU 114 -4.785 -3.065 -5.329 873 HB3 LEU 114 1HB LEU 114 -3.492 -4.237 -5.479 874 HG LEU 114 HG LEU 114 -5.114 -5.757 -6.655 875 HD11 LEU 114 1HD1 LEU 114 -7.178 -4.759 -5.823 876 HD12 LEU 114 2HD1 LEU 114 -7.133 -4.793 -7.585 877 HD13 LEU 114 3HD1 LEU 114 -6.826 -3.285 -6.726 878 HD21 LEU 114 3HD2 LEU 114 -4.990 -4.553 -8.782 879 HD22 LEU 114 1HD2 LEU 114 -3.476 -4.448 -7.884 880 HD23 LEU 114 2HD2 LEU 114 -4.579 -3.072 -7.917 881 H ARG 115 H ARG 115 -6.733 -6.590 -3.628 882 HA ARG 115 HA ARG 115 -4.921 -8.776 -3.436 883 HB2 ARG 115 2HB ARG 115 -7.921 -8.722 -3.737 884 HB3 ARG 115 1HB ARG 115 -6.992 -10.200 -3.539 885 HG2 ARG 115 2HG ARG 115 -6.093 -9.122 -1.402 886 HG3 ARG 115 1HG ARG 115 -7.428 -7.981 -1.581 887 HD2 ARG 115 2HD ARG 115 -8.087 -9.794 -0.125 888 HD3 ARG 115 1HD ARG 115 -9.003 -9.872 -1.629 889 HE ARG 115 HE ARG 115 -6.742 -11.505 -1.908 890 HH11 ARG 115 1HH1 ARG 115 -9.715 -11.386 -0.032 891 HH12 ARG 115 2HH1 ARG 115 -9.802 -13.105 0.152 892 HH21 ARG 115 1HH2 ARG 115 -6.849 -13.758 -1.636 893 HH22 ARG 115 2HH2 ARG 115 -8.177 -14.458 -0.762 894 H THR 116 H THR 116 -4.163 -10.105 -4.915 895 HA THR 116 HA THR 116 -4.963 -9.628 -7.680 896 HB THR 116 HB THR 116 -2.633 -11.343 -6.850 897 HG1 THR 116 1HG THR 116 -1.377 -9.520 -6.625 898 HG21 THR 116 3HG2 THR 116 -1.695 -10.478 -8.955 899 HG22 THR 116 1HG2 THR 116 -3.134 -9.488 -9.186 900 HG23 THR 116 2HG2 THR 116 -3.259 -11.246 -9.222 901 H GLU 117 H GLU 117 -5.780 -11.582 -5.204 902 HA GLU 117 HA GLU 117 -6.698 -13.663 -7.002 903 HB2 GLU 117 2HB GLU 117 -6.125 -15.256 -4.954 904 HB3 GLU 117 1HB GLU 117 -4.966 -14.928 -6.229 905 HG2 GLU 117 2HG GLU 117 -3.816 -14.785 -4.156 906 HG3 GLU 117 1HG GLU 117 -3.976 -13.152 -4.787
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