NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
553299 | 2ltj | 18484 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 11.222 -9.171 -10.189 2 H2 MET 1 2HT MET 1 9.955 -8.040 -9.936 3 H3 MET 1 3HT MET 1 11.434 -7.531 -10.641 4 HA MET 1 HA MET 1 9.511 -7.841 -12.165 5 HB2 MET 1 2HB MET 1 12.265 -8.958 -12.391 6 HB3 MET 1 1HB MET 1 11.138 -9.297 -13.698 7 HG2 MET 1 2HG MET 1 12.032 -7.383 -14.499 8 HG3 MET 1 1HG MET 1 10.738 -6.686 -13.528 9 HE1 MET 1 2HE MET 1 12.274 -4.975 -10.675 10 HE2 MET 1 3HE MET 1 10.860 -5.702 -11.436 11 HE3 MET 1 1HE MET 1 11.645 -4.310 -12.182 12 H GLY 2 H GLY 2 8.748 -9.628 -10.090 13 HA2 GLY 2 2HA GLY 2 8.578 -12.258 -11.352 14 HA3 GLY 2 1HA GLY 2 8.068 -11.854 -9.719 15 H SER 3 H SER 3 6.557 -9.495 -10.636 16 HA SER 3 HA SER 3 4.059 -10.768 -11.053 17 HB2 SER 3 2HB SER 3 4.304 -7.884 -11.705 18 HB3 SER 3 1HB SER 3 3.142 -8.713 -10.669 19 HG SER 3 HG SER 3 4.526 -7.453 -9.414 20 H SER 4 H SER 4 3.534 -11.738 -12.897 21 HA SER 4 HA SER 4 3.522 -10.231 -15.354 22 HB2 SER 4 2HB SER 4 4.755 -12.100 -16.589 23 HB3 SER 4 1HB SER 4 5.744 -11.024 -15.602 24 HG SER 4 HG SER 4 6.045 -12.598 -14.154 25 H HIS 5 H HIS 5 1.883 -10.849 -16.653 26 HA HIS 5 HA HIS 5 0.134 -12.946 -15.694 27 HB2 HIS 5 2HB HIS 5 -0.217 -11.151 -18.102 28 HB3 HIS 5 1HB HIS 5 -1.463 -12.110 -17.309 29 HD1 HIS 5 1HD HIS 5 -0.892 -8.804 -17.663 30 HD2 HIS 5 2HD HIS 5 -1.105 -11.155 -14.244 31 HE1 HIS 5 1HE HIS 5 -1.449 -7.219 -15.790 32 HE2 HIS 5 2HE HIS 5 -1.659 -8.677 -13.748 33 H HIS 6 H HIS 6 -1.034 -14.100 -17.738 34 HA HIS 6 HA HIS 6 0.947 -15.066 -19.638 35 HB2 HIS 6 2HB HIS 6 0.281 -17.466 -19.055 36 HB3 HIS 6 1HB HIS 6 1.367 -16.647 -17.937 37 HD1 HIS 6 1HD HIS 6 -2.208 -15.718 -17.729 38 HD2 HIS 6 2HD HIS 6 0.395 -18.393 -15.904 39 HE1 HIS 6 1HE HIS 6 -3.408 -16.526 -15.673 40 HE2 HIS 6 2HE HIS 6 -1.779 -18.077 -14.538 41 H HIS 7 H HIS 7 -1.435 -13.501 -19.904 42 HA HIS 7 HA HIS 7 -3.409 -15.312 -21.053 43 HB2 HIS 7 2HB HIS 7 -3.364 -12.446 -20.260 44 HB3 HIS 7 1HB HIS 7 -4.446 -12.899 -21.571 45 HD1 HIS 7 1HD HIS 7 -4.326 -12.662 -17.994 46 HD2 HIS 7 2HD HIS 7 -6.234 -15.143 -20.728 47 HE1 HIS 7 1HE HIS 7 -6.206 -13.745 -16.722 48 HE2 HIS 7 2HE HIS 7 -7.293 -15.306 -18.373 49 H HIS 8 H HIS 8 -2.039 -16.061 -22.780 50 HA HIS 8 HA HIS 8 -2.376 -14.506 -25.168 51 HB2 HIS 8 2HB HIS 8 -0.094 -13.899 -23.870 52 HB3 HIS 8 1HB HIS 8 0.463 -15.281 -24.807 53 HD1 HIS 8 1HD HIS 8 -1.274 -14.647 -27.369 54 HD2 HIS 8 2HD HIS 8 1.173 -11.958 -25.357 55 HE1 HIS 8 1HE HIS 8 -0.694 -12.875 -29.056 56 HE2 HIS 8 2HE HIS 8 0.856 -11.305 -27.839 57 H HIS 9 H HIS 9 -3.176 -17.093 -24.116 58 HA HIS 9 HA HIS 9 -2.812 -18.661 -26.420 59 HB2 HIS 9 2HB HIS 9 -1.527 -20.548 -25.275 60 HB3 HIS 9 1HB HIS 9 -0.593 -19.134 -25.755 61 HD1 HIS 9 1HD HIS 9 1.194 -19.742 -23.955 62 HD2 HIS 9 2HD HIS 9 -2.572 -18.867 -22.431 63 HE1 HIS 9 1HE HIS 9 1.531 -19.400 -21.486 64 HE2 HIS 9 2HE HIS 9 -0.746 -18.786 -20.599 65 H SER 10 H SER 10 -4.936 -17.802 -24.748 66 HA SER 10 HA SER 10 -6.085 -20.411 -24.082 67 HB2 SER 10 2HB SER 10 -7.207 -18.976 -22.106 68 HB3 SER 10 1HB SER 10 -5.705 -19.879 -21.891 69 HG SER 10 HG SER 10 -6.021 -17.111 -22.403 70 H SER 11 H SER 11 -8.543 -19.837 -23.331 71 HA SER 11 HA SER 11 -9.852 -19.058 -25.680 72 HB2 SER 11 2HB SER 11 -11.211 -18.892 -23.009 73 HB3 SER 11 1HB SER 11 -11.848 -19.471 -24.548 74 HG SER 11 HG SER 11 -10.799 -20.901 -22.602 75 H GLY 12 H GLY 12 -9.901 -17.088 -26.533 76 HA2 GLY 12 2HA GLY 12 -9.804 -14.757 -24.749 77 HA3 GLY 12 1HA GLY 12 -9.441 -14.750 -26.469 78 H LEU 13 H LEU 13 -12.265 -16.195 -24.922 79 HA LEU 13 HA LEU 13 -13.958 -14.449 -26.557 80 HB2 LEU 13 2HB LEU 13 -14.663 -16.966 -25.045 81 HB3 LEU 13 1HB LEU 13 -15.743 -16.067 -26.093 82 HG LEU 13 HG LEU 13 -13.197 -17.055 -27.270 83 HD11 LEU 13 1HD1 LEU 13 -14.500 -18.855 -25.806 84 HD12 LEU 13 2HD1 LEU 13 -13.744 -19.254 -27.349 85 HD13 LEU 13 3HD1 LEU 13 -15.478 -18.942 -27.271 86 HD21 LEU 13 3HD2 LEU 13 -14.352 -16.967 -29.253 87 HD22 LEU 13 1HD2 LEU 13 -15.142 -15.674 -28.351 88 HD23 LEU 13 2HD2 LEU 13 -15.912 -17.255 -28.483 89 H VAL 14 H VAL 14 -14.337 -15.968 -23.356 90 HA VAL 14 HA VAL 14 -15.446 -15.235 -21.490 91 HB VAL 14 HB VAL 14 -14.507 -13.137 -20.540 92 HG11 VAL 14 1HG1 VAL 14 -12.742 -15.304 -21.604 93 HG12 VAL 14 2HG1 VAL 14 -13.286 -15.014 -19.952 94 HG13 VAL 14 3HG1 VAL 14 -12.060 -13.971 -20.672 95 HG21 VAL 14 3HG2 VAL 14 -14.255 -11.971 -22.730 96 HG22 VAL 14 1HG2 VAL 14 -12.874 -13.013 -23.072 97 HG23 VAL 14 2HG2 VAL 14 -12.822 -11.897 -21.707 98 HA PRO 15 HA PRO 15 -18.331 -12.465 -24.097 99 HB2 PRO 15 2HB PRO 15 -20.467 -14.207 -23.821 100 HB3 PRO 15 1HB PRO 15 -19.409 -14.116 -25.232 101 HG2 PRO 15 2HG PRO 15 -19.348 -16.023 -22.935 102 HG3 PRO 15 1HG PRO 15 -19.045 -16.325 -24.656 103 HD2 PRO 15 2HD PRO 15 -17.038 -16.132 -22.881 104 HD3 PRO 15 1HD PRO 15 -16.874 -15.525 -24.543 105 H ARG 16 H ARG 16 -19.869 -14.596 -21.704 106 HA ARG 16 HA ARG 16 -21.038 -14.162 -19.804 107 HB2 ARG 16 2HB ARG 16 -18.830 -12.175 -19.745 108 HB3 ARG 16 1HB ARG 16 -20.160 -11.926 -18.622 109 HG2 ARG 16 2HG ARG 16 -19.813 -14.142 -17.690 110 HG3 ARG 16 1HG ARG 16 -18.511 -14.437 -18.844 111 HD2 ARG 16 2HD ARG 16 -17.035 -13.177 -17.696 112 HD3 ARG 16 1HD ARG 16 -18.250 -11.980 -17.247 113 HE ARG 16 HE ARG 16 -18.434 -13.041 -15.247 114 HH11 ARG 16 1HH1 ARG 16 -17.229 -15.342 -17.577 115 HH12 ARG 16 2HH1 ARG 16 -17.043 -16.612 -16.415 116 HH21 ARG 16 1HH2 ARG 16 -18.190 -14.711 -13.716 117 HH22 ARG 16 2HH2 ARG 16 -17.590 -16.254 -14.222 118 H GLY 17 H GLY 17 -21.986 -13.101 -22.345 119 HA2 GLY 17 2HA GLY 17 -24.130 -11.518 -21.373 120 HA3 GLY 17 1HA GLY 17 -22.970 -10.504 -22.216 121 H SER 18 H SER 18 -24.820 -13.516 -22.629 122 HA SER 18 HA SER 18 -25.138 -12.804 -25.471 123 HB2 SER 18 2HB SER 18 -25.335 -15.239 -25.926 124 HB3 SER 18 1HB SER 18 -23.762 -14.801 -25.263 125 HG SER 18 HG SER 18 -24.158 -16.017 -23.600 126 H HIS 19 H HIS 19 -26.825 -12.006 -23.244 127 HA HIS 19 HA HIS 19 -29.348 -13.008 -24.292 128 HB2 HIS 19 2HB HIS 19 -28.280 -13.761 -21.699 129 HB3 HIS 19 1HB HIS 19 -29.827 -12.934 -21.542 130 HD1 HIS 19 1HD HIS 19 -31.767 -14.450 -21.646 131 HD2 HIS 19 2HD HIS 19 -28.526 -15.955 -23.767 132 HE1 HIS 19 1HE HIS 19 -32.509 -16.694 -22.502 133 HE2 HIS 19 2HE HIS 19 -30.564 -17.547 -23.858 134 H MET 20 H MET 20 -31.133 -11.832 -22.676 135 HA MET 20 HA MET 20 -30.323 -9.029 -22.386 136 HB2 MET 20 2HB MET 20 -32.717 -10.017 -23.942 137 HB3 MET 20 1HB MET 20 -32.490 -8.344 -23.453 138 HG2 MET 20 2HG MET 20 -30.787 -7.992 -24.944 139 HG3 MET 20 1HG MET 20 -30.338 -9.695 -25.001 140 HE1 MET 20 3HE MET 20 -32.502 -7.177 -27.676 141 HE2 MET 20 1HE MET 20 -32.366 -6.901 -25.939 142 HE3 MET 20 2HE MET 20 -33.854 -7.567 -26.612 143 H SER 21 H SER 21 -30.820 -11.140 -20.454 144 HA SER 21 HA SER 21 -33.044 -9.875 -19.002 145 HB2 SER 21 2HB SER 21 -33.375 -12.243 -17.985 146 HB3 SER 21 1HB SER 21 -34.021 -11.919 -19.593 147 HG SER 21 HG SER 21 -32.069 -13.657 -18.818 148 H LEU 22 H LEU 22 -32.422 -9.059 -17.122 149 HA LEU 22 HA LEU 22 -29.791 -9.542 -16.097 150 HB2 LEU 22 2HB LEU 22 -32.101 -7.818 -15.331 151 HB3 LEU 22 1HB LEU 22 -30.853 -8.118 -14.137 152 HG LEU 22 HG LEU 22 -30.535 -6.006 -15.398 153 HD11 LEU 22 1HD1 LEU 22 -28.673 -7.624 -14.473 154 HD12 LEU 22 2HD1 LEU 22 -28.259 -6.179 -15.394 155 HD13 LEU 22 3HD1 LEU 22 -28.264 -7.755 -16.183 156 HD21 LEU 22 3HD2 LEU 22 -30.342 -5.887 -17.651 157 HD22 LEU 22 1HD2 LEU 22 -31.339 -7.340 -17.576 158 HD23 LEU 22 2HD2 LEU 22 -29.593 -7.478 -17.781 159 H ASP 23 H ASP 23 -29.163 -10.936 -14.576 160 HA ASP 23 HA ASP 23 -31.235 -12.525 -13.232 161 HB2 ASP 23 2HB ASP 23 -28.347 -13.080 -13.896 162 HB3 ASP 23 1HB ASP 23 -29.245 -14.071 -12.751 163 H GLU 24 H GLU 24 -30.565 -9.898 -12.304 164 HA GLU 24 HA GLU 24 -28.822 -10.139 -10.035 165 HB2 GLU 24 2HB GLU 24 -29.620 -8.027 -11.488 166 HB3 GLU 24 1HB GLU 24 -30.786 -7.918 -10.177 167 HG2 GLU 24 2HG GLU 24 -28.505 -8.264 -8.777 168 HG3 GLU 24 1HG GLU 24 -27.894 -7.403 -10.190 169 H ASN 25 H ASN 25 -29.368 -10.241 -7.872 170 HA ASN 25 HA ASN 25 -32.181 -10.506 -7.145 171 HB2 ASN 25 2HB ASN 25 -31.648 -12.608 -5.850 172 HB3 ASN 25 1HB ASN 25 -31.653 -12.789 -7.602 173 HD21 ASN 25 1HD2 ASN 25 -29.713 -13.104 -8.687 174 HD22 ASN 25 2HD2 ASN 25 -28.270 -13.582 -7.868 175 H GLU 26 H GLU 26 -30.143 -8.521 -6.621 176 HA GLU 26 HA GLU 26 -29.714 -8.867 -3.734 177 HB2 GLU 26 2HB GLU 26 -28.388 -6.948 -5.657 178 HB3 GLU 26 1HB GLU 26 -28.030 -7.083 -3.941 179 HG2 GLU 26 2HG GLU 26 -27.725 -9.389 -5.838 180 HG3 GLU 26 1HG GLU 26 -26.435 -8.223 -5.536 181 H VAL 27 H VAL 27 -29.843 -6.799 -2.452 182 HA VAL 27 HA VAL 27 -32.425 -5.732 -2.599 183 HB VAL 27 HB VAL 27 -31.655 -4.071 -0.928 184 HG11 VAL 27 1HG1 VAL 27 -32.398 -6.210 -0.138 185 HG12 VAL 27 2HG1 VAL 27 -30.987 -5.729 0.803 186 HG13 VAL 27 3HG1 VAL 27 -30.825 -6.933 -0.474 187 HG21 VAL 27 3HG2 VAL 27 -28.956 -5.309 -1.456 188 HG22 VAL 27 1HG2 VAL 27 -29.326 -4.262 -0.085 189 HG23 VAL 27 2HG2 VAL 27 -29.429 -3.632 -1.729 190 H ALA 28 H ALA 28 -29.319 -4.439 -3.690 191 HA ALA 28 HA ALA 28 -30.797 -2.427 -5.248 192 HB1 ALA 28 1HB ALA 28 -28.768 -0.924 -4.867 193 HB2 ALA 28 2HB ALA 28 -28.355 -2.019 -3.549 194 HB3 ALA 28 3HB ALA 28 -29.882 -1.138 -3.517 195 H ALA 29 H ALA 29 -27.349 -3.237 -4.952 196 HA ALA 29 HA ALA 29 -27.168 -4.711 -7.348 197 HB1 ALA 29 1HB ALA 29 -27.727 -2.427 -8.253 198 HB2 ALA 29 2HB ALA 29 -26.246 -3.153 -8.879 199 HB3 ALA 29 3HB ALA 29 -26.157 -1.892 -7.649 200 H ASN 30 H ASN 30 -26.170 -4.826 -4.678 201 HA ASN 30 HA ASN 30 -24.276 -5.351 -3.535 202 HB2 ASN 30 2HB ASN 30 -23.982 -6.573 -5.878 203 HB3 ASN 30 1HB ASN 30 -22.648 -5.434 -6.033 204 HD21 ASN 30 1HD2 ASN 30 -20.775 -6.135 -5.336 205 HD22 ASN 30 2HD2 ASN 30 -20.521 -7.335 -4.120 206 H VAL 31 H VAL 31 -21.829 -4.702 -3.333 207 HA VAL 31 HA VAL 31 -21.775 -1.887 -2.987 208 HB VAL 31 HB VAL 31 -20.532 -3.418 -1.518 209 HG11 VAL 31 1HG1 VAL 31 -19.828 -4.946 -3.404 210 HG12 VAL 31 2HG1 VAL 31 -18.593 -4.589 -2.198 211 HG13 VAL 31 3HG1 VAL 31 -18.561 -3.773 -3.762 212 HG21 VAL 31 3HG2 VAL 31 -18.193 -2.121 -2.006 213 HG22 VAL 31 1HG2 VAL 31 -19.562 -1.430 -1.134 214 HG23 VAL 31 2HG2 VAL 31 -19.346 -1.090 -2.851 215 H GLU 32 H GLU 32 -20.177 -4.070 -5.284 216 HA GLU 32 HA GLU 32 -20.114 -2.070 -7.314 217 HB2 GLU 32 2HB GLU 32 -17.678 -2.565 -5.680 218 HB3 GLU 32 1HB GLU 32 -17.462 -2.399 -7.417 219 HG2 GLU 32 2HG GLU 32 -18.973 -0.263 -7.029 220 HG3 GLU 32 1HG GLU 32 -18.298 -0.391 -5.405 221 H THR 33 H THR 33 -17.777 -4.658 -6.629 222 HA THR 33 HA THR 33 -19.074 -6.555 -8.327 223 HB THR 33 HB THR 33 -16.449 -5.500 -9.364 224 HG1 THR 33 1HG THR 33 -17.539 -4.208 -10.736 225 HG21 THR 33 3HG2 THR 33 -17.215 -6.531 -11.472 226 HG22 THR 33 1HG2 THR 33 -18.595 -7.200 -10.603 227 HG23 THR 33 2HG2 THR 33 -16.958 -7.693 -10.170 228 H ARG 34 H ARG 34 -15.919 -5.564 -7.018 229 HA ARG 34 HA ARG 34 -15.183 -8.330 -6.535 230 HB2 ARG 34 2HB ARG 34 -13.800 -5.702 -6.438 231 HB3 ARG 34 1HB ARG 34 -13.186 -6.965 -5.382 232 HG2 ARG 34 2HG ARG 34 -11.941 -7.510 -7.160 233 HG3 ARG 34 1HG ARG 34 -13.406 -8.328 -7.702 234 HD2 ARG 34 2HD ARG 34 -12.735 -7.057 -9.545 235 HD3 ARG 34 1HD ARG 34 -14.026 -6.113 -8.809 236 HE ARG 34 HE ARG 34 -11.166 -5.486 -8.776 237 HH11 ARG 34 1HH1 ARG 34 -14.441 -4.585 -7.934 238 HH12 ARG 34 2HH1 ARG 34 -14.028 -2.940 -7.598 239 HH21 ARG 34 1HH2 ARG 34 -10.634 -3.322 -8.330 240 HH22 ARG 34 2HH2 ARG 34 -11.873 -2.223 -7.821 241 HA PRO 35 HA PRO 35 -16.320 -8.620 -2.294 242 HB2 PRO 35 2HB PRO 35 -14.118 -9.722 -1.117 243 HB3 PRO 35 1HB PRO 35 -15.235 -10.633 -2.138 244 HG2 PRO 35 2HG PRO 35 -12.588 -9.423 -2.835 245 HG3 PRO 35 1HG PRO 35 -13.247 -11.008 -3.281 246 HD2 PRO 35 2HD PRO 35 -13.249 -8.920 -4.989 247 HD3 PRO 35 1HD PRO 35 -14.549 -10.130 -4.975 248 H GLU 36 H GLU 36 -14.963 -8.387 0.037 249 HA GLU 36 HA GLU 36 -14.660 -5.569 0.298 250 HB2 GLU 36 2HB GLU 36 -15.574 -6.987 2.096 251 HB3 GLU 36 1HB GLU 36 -14.006 -7.765 2.273 252 HG2 GLU 36 2HG GLU 36 -13.011 -5.750 3.058 253 HG3 GLU 36 1HG GLU 36 -14.453 -4.817 2.660 254 H LEU 37 H LEU 37 -12.837 -4.341 0.630 255 HA LEU 37 HA LEU 37 -10.320 -5.624 -0.143 256 HB2 LEU 37 2HB LEU 37 -9.580 -3.158 -0.343 257 HB3 LEU 37 1HB LEU 37 -10.647 -3.829 -1.562 258 HG LEU 37 HG LEU 37 -11.931 -2.454 0.733 259 HD11 LEU 37 1HD1 LEU 37 -9.827 -1.160 -0.343 260 HD12 LEU 37 2HD1 LEU 37 -11.273 -0.352 0.264 261 HD13 LEU 37 3HD1 LEU 37 -11.102 -0.675 -1.461 262 HD21 LEU 37 3HD2 LEU 37 -13.097 -1.549 -1.520 263 HD22 LEU 37 1HD2 LEU 37 -13.570 -3.038 -0.701 264 HD23 LEU 37 2HD2 LEU 37 -12.482 -3.101 -2.088 265 H ILE 38 H ILE 38 -9.098 -6.270 1.486 266 HA ILE 38 HA ILE 38 -9.084 -4.721 3.977 267 HB ILE 38 HB ILE 38 -7.988 -6.660 5.007 268 HG12 ILE 38 2HG1 ILE 38 -8.553 -8.352 2.619 269 HG13 ILE 38 1HG1 ILE 38 -7.099 -7.358 2.596 270 HG21 ILE 38 1HG2 ILE 38 -10.626 -6.880 3.672 271 HG22 ILE 38 2HG2 ILE 38 -10.224 -6.840 5.389 272 HG23 ILE 38 3HG2 ILE 38 -9.978 -8.318 4.459 273 HD11 ILE 38 3HD1 ILE 38 -6.036 -8.814 3.871 274 HD12 ILE 38 1HD1 ILE 38 -7.443 -9.873 3.766 275 HD13 ILE 38 2HD1 ILE 38 -7.297 -8.728 5.100 276 H THR 39 H THR 39 -6.710 -5.132 5.065 277 HA THR 39 HA THR 39 -4.604 -4.565 3.099 278 HB THR 39 HB THR 39 -3.994 -2.637 4.856 279 HG1 THR 39 1HG THR 39 -5.755 -2.742 6.153 280 HG21 THR 39 3HG2 THR 39 -5.295 -2.671 2.289 281 HG22 THR 39 1HG2 THR 39 -4.113 -1.537 2.942 282 HG23 THR 39 2HG2 THR 39 -5.831 -1.302 3.261 283 H ARG 40 H ARG 40 -2.487 -4.500 4.056 284 HA ARG 40 HA ARG 40 -1.918 -5.311 6.690 285 HB2 ARG 40 2HB ARG 40 -2.910 -7.445 5.915 286 HB3 ARG 40 1HB ARG 40 -1.737 -7.502 4.607 287 HG2 ARG 40 2HG ARG 40 0.046 -7.895 6.071 288 HG3 ARG 40 1HG ARG 40 -0.889 -7.390 7.480 289 HD2 ARG 40 2HD ARG 40 -2.435 -9.393 6.747 290 HD3 ARG 40 1HD ARG 40 -0.956 -9.955 5.968 291 HE ARG 40 HE ARG 40 -0.571 -9.200 8.707 292 HH11 ARG 40 1HH1 ARG 40 -1.581 -11.783 6.587 293 HH12 ARG 40 2HH1 ARG 40 -1.206 -13.031 7.726 294 HH21 ARG 40 1HH2 ARG 40 -0.077 -10.842 10.206 295 HH22 ARG 40 2HH2 ARG 40 -0.354 -12.498 9.780 296 H THR 41 H THR 41 -0.075 -4.210 6.888 297 HA THR 41 HA THR 41 1.615 -3.766 4.589 298 HB THR 41 HB THR 41 1.185 -1.965 6.223 299 HG1 THR 41 1HG THR 41 3.117 -1.205 5.887 300 HG21 THR 41 3HG2 THR 41 2.368 -1.976 8.378 301 HG22 THR 41 1HG2 THR 41 2.767 -3.675 8.126 302 HG23 THR 41 2HG2 THR 41 1.083 -3.179 8.295 303 H GLU 42 H GLU 42 3.329 -4.729 4.034 304 HA GLU 42 HA GLU 42 4.341 -6.900 5.719 305 HB2 GLU 42 2HB GLU 42 5.276 -6.422 2.915 306 HB3 GLU 42 1HB GLU 42 5.118 -7.937 3.791 307 HG2 GLU 42 2HG GLU 42 2.545 -7.260 3.687 308 HG3 GLU 42 1HG GLU 42 3.109 -6.412 2.248 309 H GLU 43 H GLU 43 6.506 -7.098 6.204 310 HA GLU 43 HA GLU 43 7.876 -4.685 6.744 311 HB2 GLU 43 2HB GLU 43 9.787 -6.256 7.353 312 HB3 GLU 43 1HB GLU 43 8.280 -6.467 8.234 313 HG2 GLU 43 2HG GLU 43 7.824 -8.478 7.256 314 HG3 GLU 43 1HG GLU 43 8.728 -8.095 5.792 315 H ILE 44 H ILE 44 8.507 -3.481 5.046 316 HA ILE 44 HA ILE 44 10.089 -4.773 2.926 317 HB ILE 44 HB ILE 44 8.869 -2.015 2.829 318 HG12 ILE 44 2HG1 ILE 44 7.476 -3.743 1.090 319 HG13 ILE 44 1HG1 ILE 44 7.573 -4.588 2.632 320 HG21 ILE 44 1HG2 ILE 44 10.746 -2.441 1.307 321 HG22 ILE 44 2HG2 ILE 44 9.231 -2.201 0.436 322 HG23 ILE 44 3HG2 ILE 44 9.883 -3.826 0.643 323 HD11 ILE 44 3HD1 ILE 44 5.532 -3.292 2.493 324 HD12 ILE 44 1HD1 ILE 44 6.469 -1.817 2.196 325 HD13 ILE 44 2HD1 ILE 44 6.593 -2.640 3.743 326 HA PRO 45 HA PRO 45 13.256 -2.423 5.296 327 HB2 PRO 45 2HB PRO 45 15.241 -4.215 5.005 328 HB3 PRO 45 1HB PRO 45 13.974 -4.413 6.220 329 HG2 PRO 45 2HG PRO 45 14.230 -5.696 3.527 330 HG3 PRO 45 1HG PRO 45 13.767 -6.427 5.073 331 HD2 PRO 45 2HD PRO 45 11.960 -5.680 3.174 332 HD3 PRO 45 1HD PRO 45 11.595 -5.700 4.909 333 H PHE 46 H PHE 46 15.240 -1.441 4.617 334 HA PHE 46 HA PHE 46 15.323 -0.968 1.757 335 HB2 PHE 46 2HB PHE 46 16.746 0.895 2.263 336 HB3 PHE 46 1HB PHE 46 15.445 0.889 3.448 337 HD1 PHE 46 2HD PHE 46 19.021 0.214 2.907 338 HD2 PHE 46 1HD PHE 46 15.887 0.549 5.768 339 HE1 PHE 46 2HE PHE 46 20.681 0.231 4.721 340 HE2 PHE 46 1HE PHE 46 17.544 0.569 7.585 341 HZ PHE 46 HZ PHE 46 19.945 0.409 7.063 342 H GLU 47 H GLU 47 17.802 -0.468 1.067 343 HA GLU 47 HA GLU 47 19.655 -2.478 1.968 344 HB2 GLU 47 2HB GLU 47 17.997 -3.573 0.296 345 HB3 GLU 47 1HB GLU 47 18.869 -2.657 -0.926 346 HG2 GLU 47 2HG GLU 47 20.591 -4.159 0.899 347 HG3 GLU 47 1HG GLU 47 19.514 -5.159 -0.076 348 H VAL 48 H VAL 48 21.489 -1.380 2.048 349 HA VAL 48 HA VAL 48 21.973 1.006 0.605 350 HB VAL 48 HB VAL 48 24.169 -0.647 1.821 351 HG11 VAL 48 1HG1 VAL 48 23.721 2.199 1.120 352 HG12 VAL 48 2HG1 VAL 48 25.172 1.209 0.973 353 HG13 VAL 48 3HG1 VAL 48 24.700 1.852 2.545 354 HG21 VAL 48 3HG2 VAL 48 21.874 0.606 3.191 355 HG22 VAL 48 1HG2 VAL 48 23.463 0.918 3.888 356 HG23 VAL 48 2HG2 VAL 48 22.898 -0.740 3.688 357 H ILE 49 H ILE 49 23.283 1.436 -1.139 358 HA ILE 49 HA ILE 49 24.133 -0.909 -2.712 359 HB ILE 49 HB ILE 49 23.360 1.796 -3.803 360 HG12 ILE 49 2HG1 ILE 49 21.423 0.665 -2.780 361 HG13 ILE 49 1HG1 ILE 49 21.274 0.750 -4.533 362 HG21 ILE 49 1HG2 ILE 49 24.749 0.845 -5.387 363 HG22 ILE 49 2HG2 ILE 49 23.156 0.305 -5.916 364 HG23 ILE 49 3HG2 ILE 49 24.207 -0.795 -5.027 365 HD11 ILE 49 3HD1 ILE 49 20.616 -1.425 -3.426 366 HD12 ILE 49 1HD1 ILE 49 22.336 -1.680 -3.132 367 HD13 ILE 49 2HD1 ILE 49 21.737 -1.537 -4.785 368 H LYS 50 H LYS 50 26.029 -0.654 -4.038 369 HA LYS 50 HA LYS 50 27.946 1.252 -2.875 370 HB2 LYS 50 2HB LYS 50 29.701 -0.299 -3.541 371 HB3 LYS 50 1HB LYS 50 28.507 -1.120 -2.545 372 HG2 LYS 50 2HG LYS 50 27.454 -1.866 -4.757 373 HG3 LYS 50 1HG LYS 50 28.978 -1.363 -5.493 374 HD2 LYS 50 2HD LYS 50 29.168 -3.092 -3.100 375 HD3 LYS 50 1HD LYS 50 28.540 -3.842 -4.569 376 HE2 LYS 50 2HE LYS 50 30.522 -3.142 -5.793 377 HE3 LYS 50 1HE LYS 50 31.140 -2.328 -4.357 378 HZ1 LYS 50 3HZ LYS 50 31.471 -4.366 -3.271 379 HZ2 LYS 50 1HZ LYS 50 32.057 -4.610 -4.840 380 HZ3 LYS 50 2HZ LYS 50 30.546 -5.228 -4.396 381 H LYS 51 H LYS 51 28.167 2.989 -4.128 382 HA LYS 51 HA LYS 51 28.362 2.587 -7.042 383 HB2 LYS 51 2HB LYS 51 26.329 3.816 -6.424 384 HB3 LYS 51 1HB LYS 51 27.300 5.000 -5.562 385 HG2 LYS 51 2HG LYS 51 26.694 5.928 -7.668 386 HG3 LYS 51 1HG LYS 51 28.419 5.557 -7.713 387 HD2 LYS 51 2HD LYS 51 27.899 4.585 -9.680 388 HD3 LYS 51 1HD LYS 51 27.387 3.242 -8.656 389 HE2 LYS 51 2HE LYS 51 25.195 3.595 -9.066 390 HE3 LYS 51 1HE LYS 51 25.376 5.349 -9.089 391 HZ1 LYS 51 3HZ LYS 51 26.347 3.629 -11.296 392 HZ2 LYS 51 1HZ LYS 51 26.097 5.304 -11.308 393 HZ3 LYS 51 2HZ LYS 51 24.774 4.251 -11.261 394 H GLU 52 H GLU 52 29.833 3.938 -8.185 395 HA GLU 52 HA GLU 52 32.192 4.583 -6.615 396 HB2 GLU 52 2HB GLU 52 33.218 4.977 -8.886 397 HB3 GLU 52 1HB GLU 52 32.633 3.344 -8.600 398 HG2 GLU 52 2HG GLU 52 30.936 3.535 -10.108 399 HG3 GLU 52 1HG GLU 52 30.801 5.281 -9.903 400 H ASN 53 H ASN 53 32.827 6.571 -6.076 401 HA ASN 53 HA ASN 53 31.483 8.856 -7.364 402 HB2 ASN 53 2HB ASN 53 31.079 8.162 -4.792 403 HB3 ASN 53 1HB ASN 53 32.497 9.188 -4.597 404 HD21 ASN 53 1HD2 ASN 53 30.669 10.289 -3.339 405 HD22 ASN 53 2HD2 ASN 53 29.805 11.515 -4.198 406 HA PRO 54 HA PRO 54 35.927 9.475 -8.240 407 HB2 PRO 54 2HB PRO 54 35.502 11.201 -10.307 408 HB3 PRO 54 1HB PRO 54 35.476 9.444 -10.488 409 HG2 PRO 54 2HG PRO 54 33.190 11.354 -10.199 410 HG3 PRO 54 1HG PRO 54 33.357 9.963 -11.287 411 HD2 PRO 54 2HD PRO 54 31.920 9.842 -9.005 412 HD3 PRO 54 1HD PRO 54 32.817 8.445 -9.632 413 H ASN 55 H ASN 55 33.354 11.749 -7.618 414 HA ASN 55 HA ASN 55 34.824 14.124 -7.479 415 HB2 ASN 55 2HB ASN 55 32.354 14.022 -7.460 416 HB3 ASN 55 1HB ASN 55 32.405 13.341 -5.836 417 HD21 ASN 55 1HD2 ASN 55 34.079 16.026 -7.444 418 HD22 ASN 55 2HD2 ASN 55 33.659 17.217 -6.264 419 H LEU 56 H LEU 56 34.542 11.465 -5.247 420 HA LEU 56 HA LEU 56 35.724 12.916 -3.045 421 HB2 LEU 56 2HB LEU 56 34.931 10.043 -3.456 422 HB3 LEU 56 1HB LEU 56 35.787 10.573 -2.021 423 HG LEU 56 HG LEU 56 33.336 10.381 -1.700 424 HD11 LEU 56 1HD1 LEU 56 34.058 11.777 -0.088 425 HD12 LEU 56 2HD1 LEU 56 33.174 12.983 -1.023 426 HD13 LEU 56 3HD1 LEU 56 34.919 12.818 -1.222 427 HD21 LEU 56 3HD2 LEU 56 33.152 12.763 -3.535 428 HD22 LEU 56 1HD2 LEU 56 31.826 11.910 -2.742 429 HD23 LEU 56 2HD2 LEU 56 32.750 11.114 -4.015 430 HA PRO 57 HA PRO 57 39.934 11.851 -3.830 431 HB2 PRO 57 2HB PRO 57 40.604 11.399 -1.071 432 HB3 PRO 57 1HB PRO 57 40.853 12.857 -2.030 433 HG2 PRO 57 2HG PRO 57 39.097 12.665 0.081 434 HG3 PRO 57 1HG PRO 57 38.963 13.847 -1.230 435 HD2 PRO 57 2HD PRO 57 37.504 11.263 -0.849 436 HD3 PRO 57 1HD PRO 57 36.902 12.820 -1.459 437 H ALA 58 H ALA 58 38.282 9.543 -4.116 438 HA ALA 58 HA ALA 58 38.448 7.285 -4.299 439 HB1 ALA 58 1HB ALA 58 40.741 7.952 -5.098 440 HB2 ALA 58 2HB ALA 58 40.600 6.311 -4.468 441 HB3 ALA 58 3HB ALA 58 41.327 7.575 -3.478 442 H GLY 59 H GLY 59 38.114 5.485 -3.052 443 HA2 GLY 59 2HA GLY 59 37.643 4.307 -1.141 444 HA3 GLY 59 1HA GLY 59 39.177 4.924 -0.550 445 H GLN 60 H GLN 60 36.607 7.116 -1.382 446 HA GLN 60 HA GLN 60 36.273 7.706 1.482 447 HB2 GLN 60 2HB GLN 60 36.871 9.384 -0.715 448 HB3 GLN 60 1HB GLN 60 35.238 9.789 -0.202 449 HG2 GLN 60 2HG GLN 60 36.640 9.603 2.169 450 HG3 GLN 60 1HG GLN 60 37.781 10.362 1.060 451 HE21 GLN 60 1HE2 GLN 60 34.564 10.601 2.443 452 HE22 GLN 60 2HE2 GLN 60 34.393 12.307 2.228 453 H GLU 61 H GLU 61 34.286 7.706 2.394 454 HA GLU 61 HA GLU 61 32.073 6.773 0.711 455 HB2 GLU 61 2HB GLU 61 32.363 6.747 3.721 456 HB3 GLU 61 1HB GLU 61 31.018 6.066 2.816 457 HG2 GLU 61 2HG GLU 61 32.249 4.287 2.052 458 HG3 GLU 61 1HG GLU 61 33.784 5.138 2.226 459 H ASN 62 H ASN 62 29.887 7.585 1.244 460 HA ASN 62 HA ASN 62 29.690 10.154 2.543 461 HB2 ASN 62 2HB ASN 62 30.509 10.767 0.293 462 HB3 ASN 62 1HB ASN 62 29.132 9.934 -0.422 463 HD21 ASN 62 1HD2 ASN 62 28.863 12.112 -1.377 464 HD22 ASN 62 2HD2 ASN 62 27.928 13.267 -0.495 465 H ILE 63 H ILE 63 27.947 9.841 3.753 466 HA ILE 63 HA ILE 63 25.803 8.104 2.869 467 HB ILE 63 HB ILE 63 26.032 9.698 5.422 468 HG12 ILE 63 2HG1 ILE 63 27.875 8.071 5.129 469 HG13 ILE 63 1HG1 ILE 63 26.807 7.637 6.461 470 HG21 ILE 63 1HG2 ILE 63 24.318 7.283 4.891 471 HG22 ILE 63 2HG2 ILE 63 23.736 8.937 4.705 472 HG23 ILE 63 3HG2 ILE 63 24.274 8.363 6.284 473 HD11 ILE 63 3HD1 ILE 63 26.739 5.613 5.557 474 HD12 ILE 63 1HD1 ILE 63 27.460 6.178 4.050 475 HD13 ILE 63 2HD1 ILE 63 25.719 6.315 4.299 476 H ILE 64 H ILE 64 24.951 9.313 1.118 477 HA ILE 64 HA ILE 64 24.083 11.992 1.318 478 HB ILE 64 HB ILE 64 22.939 9.872 -0.503 479 HG12 ILE 64 2HG1 ILE 64 25.357 9.882 -0.737 480 HG13 ILE 64 1HG1 ILE 64 24.631 10.653 -2.144 481 HG21 ILE 64 1HG2 ILE 64 22.328 11.692 -1.939 482 HG22 ILE 64 2HG2 ILE 64 23.153 12.851 -0.898 483 HG23 ILE 64 3HG2 ILE 64 21.704 12.025 -0.324 484 HD11 ILE 64 3HD1 ILE 64 25.053 12.852 -0.881 485 HD12 ILE 64 1HD1 ILE 64 26.418 12.028 -1.635 486 HD13 ILE 64 2HD1 ILE 64 26.157 11.892 0.104 487 H THR 65 H THR 65 22.540 8.915 2.007 488 HA THR 65 HA THR 65 20.636 10.122 3.735 489 HB THR 65 HB THR 65 19.648 10.613 1.474 490 HG1 THR 65 1HG THR 65 18.134 8.856 3.106 491 HG21 THR 65 3HG2 THR 65 18.568 7.923 1.173 492 HG22 THR 65 1HG2 THR 65 20.286 8.056 0.799 493 HG23 THR 65 2HG2 THR 65 19.119 9.076 -0.042 494 H ALA 66 H ALA 66 21.136 8.692 5.297 495 HA ALA 66 HA ALA 66 21.799 6.032 5.057 496 HB1 ALA 66 1HB ALA 66 20.926 5.842 7.444 497 HB2 ALA 66 2HB ALA 66 20.496 7.547 7.296 498 HB3 ALA 66 3HB ALA 66 22.179 7.043 7.133 499 H GLY 67 H GLY 67 20.752 4.143 4.813 500 HA2 GLY 67 2HA GLY 67 18.114 4.113 3.791 501 HA3 GLY 67 1HA GLY 67 19.064 2.700 4.230 502 H VAL 68 H VAL 68 16.177 3.791 4.722 503 HA VAL 68 HA VAL 68 16.122 2.986 7.552 504 HB VAL 68 HB VAL 68 14.308 5.089 6.373 505 HG11 VAL 68 1HG1 VAL 68 13.430 3.784 8.285 506 HG12 VAL 68 2HG1 VAL 68 13.641 5.497 8.652 507 HG13 VAL 68 3HG1 VAL 68 14.810 4.317 9.244 508 HG21 VAL 68 3HG2 VAL 68 16.790 5.419 8.054 509 HG22 VAL 68 1HG2 VAL 68 15.622 6.700 7.727 510 HG23 VAL 68 2HG2 VAL 68 16.542 5.986 6.402 511 H LYS 69 H LYS 69 14.696 1.449 8.054 512 HA LYS 69 HA LYS 69 13.400 -0.063 6.110 513 HB2 LYS 69 2HB LYS 69 12.560 0.074 9.005 514 HB3 LYS 69 1HB LYS 69 12.396 -1.286 7.901 515 HG2 LYS 69 2HG LYS 69 14.937 -0.189 9.078 516 HG3 LYS 69 1HG LYS 69 14.181 -1.745 9.415 517 HD2 LYS 69 2HD LYS 69 14.516 -1.688 6.646 518 HD3 LYS 69 1HD LYS 69 16.004 -1.002 7.301 519 HE2 LYS 69 2HE LYS 69 16.089 -2.989 8.856 520 HE3 LYS 69 1HE LYS 69 14.785 -3.688 7.897 521 HZ1 LYS 69 3HZ LYS 69 17.596 -3.377 7.254 522 HZ2 LYS 69 1HZ LYS 69 16.524 -3.038 5.987 523 HZ3 LYS 69 2HZ LYS 69 16.490 -4.551 6.742 524 H GLY 70 H GLY 70 11.569 0.181 5.021 525 HA2 GLY 70 2HA GLY 70 9.689 2.271 5.913 526 HA3 GLY 70 1HA GLY 70 9.870 1.709 4.258 527 H GLU 71 H GLU 71 7.501 1.440 4.275 528 HA GLU 71 HA GLU 71 6.822 -1.245 4.915 529 HB2 GLU 71 2HB GLU 71 6.364 0.633 6.940 530 HB3 GLU 71 1HB GLU 71 4.800 0.426 6.163 531 HG2 GLU 71 2HG GLU 71 4.566 -1.307 7.541 532 HG3 GLU 71 1HG GLU 71 5.629 -2.152 6.417 533 H ARG 72 H ARG 72 4.799 -1.805 3.991 534 HA ARG 72 HA ARG 72 3.496 0.213 2.372 535 HB2 ARG 72 2HB ARG 72 5.281 -0.849 0.931 536 HB3 ARG 72 1HB ARG 72 4.425 -2.375 1.116 537 HG2 ARG 72 2HG ARG 72 2.551 -1.579 -0.065 538 HG3 ARG 72 1HG ARG 72 3.128 0.086 0.016 539 HD2 ARG 72 2HD ARG 72 5.211 -1.057 -1.234 540 HD3 ARG 72 1HD ARG 72 3.913 -2.108 -1.796 541 HE ARG 72 HE ARG 72 3.312 0.688 -2.053 542 HH11 ARG 72 1HH1 ARG 72 4.857 -2.049 -3.569 543 HH12 ARG 72 2HH1 ARG 72 4.716 -1.401 -5.169 544 HH21 ARG 72 1HH2 ARG 72 3.124 1.541 -4.156 545 HH22 ARG 72 2HH2 ARG 72 3.732 0.636 -5.503 546 H THR 73 H THR 73 1.526 0.079 3.019 547 HA THR 73 HA THR 73 0.474 -2.304 4.202 548 HB THR 73 HB THR 73 -0.927 0.230 3.335 549 HG1 THR 73 1HG THR 73 0.507 0.551 5.051 550 HG21 THR 73 3HG2 THR 73 -2.138 -1.451 5.399 551 HG22 THR 73 1HG2 THR 73 -2.182 -2.096 3.755 552 HG23 THR 73 2HG2 THR 73 -2.884 -0.510 4.104 553 H HIS 74 H HIS 74 -0.289 -3.989 3.171 554 HA HIS 74 HA HIS 74 -0.934 -3.679 0.358 555 HB2 HIS 74 2HB HIS 74 0.253 -5.837 1.978 556 HB3 HIS 74 1HB HIS 74 -0.706 -6.314 0.560 557 HD1 HIS 74 1HD HIS 74 2.035 -3.957 1.515 558 HD2 HIS 74 2HD HIS 74 0.592 -5.989 -1.794 559 HE1 HIS 74 1HE HIS 74 3.632 -3.399 -0.363 560 HE2 HIS 74 2HE HIS 74 2.534 -4.393 -2.403 561 H TYR 75 H TYR 75 -2.807 -3.672 -0.357 562 HA TYR 75 HA TYR 75 -5.031 -4.385 1.315 563 HB2 TYR 75 2HB TYR 75 -5.401 -3.471 -1.498 564 HB3 TYR 75 1HB TYR 75 -6.346 -3.094 -0.071 565 HD1 TYR 75 2HD TYR 75 -3.206 -2.428 1.130 566 HD2 TYR 75 1HD TYR 75 -5.894 -0.934 -1.813 567 HE1 TYR 75 2HE TYR 75 -2.105 -0.252 1.272 568 HE2 TYR 75 1HE TYR 75 -4.812 1.273 -1.650 569 HH TYR 75 HH TYR 75 -2.889 2.179 0.830 570 H ILE 76 H ILE 76 -6.008 -6.271 1.288 571 HA ILE 76 HA ILE 76 -5.668 -8.004 -1.071 572 HB ILE 76 HB ILE 76 -6.156 -8.891 1.771 573 HG12 ILE 76 2HG1 ILE 76 -3.667 -9.731 1.316 574 HG13 ILE 76 1HG1 ILE 76 -3.650 -8.320 0.264 575 HG21 ILE 76 1HG2 ILE 76 -6.374 -10.960 0.979 576 HG22 ILE 76 2HG2 ILE 76 -4.933 -10.799 -0.025 577 HG23 ILE 76 3HG2 ILE 76 -6.494 -10.244 -0.628 578 HD11 ILE 76 3HD1 ILE 76 -3.979 -8.452 3.230 579 HD12 ILE 76 1HD1 ILE 76 -4.515 -7.043 2.314 580 HD13 ILE 76 2HD1 ILE 76 -2.819 -7.529 2.275 581 H SER 77 H SER 77 -7.431 -9.044 -1.917 582 HA SER 77 HA SER 77 -10.045 -8.152 -0.906 583 HB2 SER 77 2HB SER 77 -9.042 -7.925 -3.425 584 HB3 SER 77 1HB SER 77 -9.911 -9.454 -3.556 585 HG SER 77 HG SER 77 -10.875 -6.901 -3.308 586 H VAL 78 H VAL 78 -10.603 -9.665 0.586 587 HA VAL 78 HA VAL 78 -10.235 -12.483 0.090 588 HB VAL 78 HB VAL 78 -10.025 -11.574 2.366 589 HG11 VAL 78 1HG1 VAL 78 -12.931 -11.331 2.762 590 HG12 VAL 78 2HG1 VAL 78 -12.187 -10.055 1.799 591 HG13 VAL 78 3HG1 VAL 78 -11.607 -10.378 3.433 592 HG21 VAL 78 3HG2 VAL 78 -11.834 -13.768 1.631 593 HG22 VAL 78 1HG2 VAL 78 -11.995 -13.196 3.290 594 HG23 VAL 78 2HG2 VAL 78 -10.432 -13.760 2.701 595 H LEU 79 H LEU 79 -11.567 -13.658 -1.103 596 HA LEU 79 HA LEU 79 -14.352 -12.771 -1.418 597 HB2 LEU 79 2HB LEU 79 -12.823 -13.063 -3.436 598 HB3 LEU 79 1HB LEU 79 -12.906 -14.786 -3.125 599 HG LEU 79 HG LEU 79 -14.468 -13.990 -4.897 600 HD11 LEU 79 1HD1 LEU 79 -16.247 -14.970 -2.757 601 HD12 LEU 79 2HD1 LEU 79 -14.816 -15.943 -3.099 602 HD13 LEU 79 3HD1 LEU 79 -15.974 -15.593 -4.383 603 HD21 LEU 79 3HD2 LEU 79 -14.996 -11.820 -3.810 604 HD22 LEU 79 1HD2 LEU 79 -15.948 -12.697 -2.611 605 HD23 LEU 79 2HD2 LEU 79 -16.423 -12.727 -4.309 606 H THR 80 H THR 80 -15.915 -13.891 -0.468 607 HA THR 80 HA THR 80 -15.289 -16.380 0.872 608 HB THR 80 HB THR 80 -18.079 -15.389 0.843 609 HG1 THR 80 1HG THR 80 -17.530 -13.428 1.290 610 HG21 THR 80 3HG2 THR 80 -16.568 -15.669 3.349 611 HG22 THR 80 1HG2 THR 80 -16.789 -17.142 2.406 612 HG23 THR 80 2HG2 THR 80 -18.193 -16.211 2.928 613 H GLU 81 H GLU 81 -15.015 -17.882 -0.771 614 HA GLU 81 HA GLU 81 -17.470 -18.573 -2.249 615 HB2 GLU 81 2HB GLU 81 -15.739 -17.672 -3.752 616 HB3 GLU 81 1HB GLU 81 -14.616 -18.902 -3.190 617 HG2 GLU 81 2HG GLU 81 -15.495 -20.485 -4.501 618 HG3 GLU 81 1HG GLU 81 -17.151 -19.962 -4.191 619 H ASN 82 H ASN 82 -18.144 -20.648 -2.154 620 HA ASN 82 HA ASN 82 -18.323 -22.804 -1.458 621 HB2 ASN 82 2HB ASN 82 -15.311 -22.669 -1.689 622 HB3 ASN 82 1HB ASN 82 -16.210 -24.155 -1.395 623 HD21 ASN 82 1HD2 ASN 82 -16.154 -25.303 -3.185 624 HD22 ASN 82 2HD2 ASN 82 -16.483 -24.718 -4.777 625 H GLY 83 H GLY 83 -18.148 -20.640 0.497 626 HA2 GLY 83 2HA GLY 83 -18.172 -20.436 2.783 627 HA3 GLY 83 1HA GLY 83 -18.090 -22.190 2.856 628 H LYS 84 H LYS 84 -15.794 -19.772 1.612 629 HA LYS 84 HA LYS 84 -13.973 -20.183 3.793 630 HB2 LYS 84 2HB LYS 84 -12.152 -21.150 2.492 631 HB3 LYS 84 1HB LYS 84 -13.551 -22.216 2.482 632 HG2 LYS 84 2HG LYS 84 -13.941 -21.916 0.260 633 HG3 LYS 84 1HG LYS 84 -13.268 -20.284 0.249 634 HD2 LYS 84 2HD LYS 84 -11.359 -22.442 0.863 635 HD3 LYS 84 1HD LYS 84 -12.015 -22.454 -0.774 636 HE2 LYS 84 2HE LYS 84 -10.040 -21.148 -0.851 637 HE3 LYS 84 1HE LYS 84 -11.392 -20.017 -0.917 638 HZ1 LYS 84 3HZ LYS 84 -10.972 -19.246 1.178 639 HZ2 LYS 84 1HZ LYS 84 -9.395 -19.605 0.682 640 HZ3 LYS 84 2HZ LYS 84 -10.227 -20.674 1.694 641 H THR 85 H THR 85 -12.425 -18.595 3.917 642 HA THR 85 HA THR 85 -12.684 -16.441 1.942 643 HB THR 85 HB THR 85 -11.312 -15.257 3.906 644 HG1 THR 85 1HG THR 85 -11.125 -16.761 5.407 645 HG21 THR 85 3HG2 THR 85 -14.268 -15.780 4.083 646 HG22 THR 85 1HG2 THR 85 -13.497 -14.508 3.135 647 HG23 THR 85 2HG2 THR 85 -13.387 -14.486 4.895 648 H THR 86 H THR 86 -11.121 -16.171 0.506 649 HA THR 86 HA THR 86 -8.472 -17.316 1.067 650 HB THR 86 HB THR 86 -9.615 -18.162 -0.945 651 HG1 THR 86 1HG THR 86 -7.720 -18.277 -1.803 652 HG21 THR 86 3HG2 THR 86 -10.891 -16.142 -1.529 653 HG22 THR 86 1HG2 THR 86 -9.969 -16.790 -2.885 654 HG23 THR 86 2HG2 THR 86 -9.387 -15.364 -2.025 655 H GLU 87 H GLU 87 -6.802 -16.012 1.424 656 HA GLU 87 HA GLU 87 -7.154 -13.141 1.095 657 HB2 GLU 87 2HB GLU 87 -4.939 -13.050 2.310 658 HB3 GLU 87 1HB GLU 87 -6.272 -13.760 3.211 659 HG2 GLU 87 2HG GLU 87 -4.622 -15.647 1.669 660 HG3 GLU 87 1HG GLU 87 -3.824 -14.852 3.025 661 H THR 88 H THR 88 -6.734 -12.389 -0.883 662 HA THR 88 HA THR 88 -4.164 -13.116 -2.108 663 HB THR 88 HB THR 88 -6.818 -12.900 -3.544 664 HG1 THR 88 1HG THR 88 -6.853 -14.969 -3.331 665 HG21 THR 88 3HG2 THR 88 -4.045 -12.915 -4.561 666 HG22 THR 88 1HG2 THR 88 -5.503 -12.187 -5.235 667 HG23 THR 88 2HG2 THR 88 -5.223 -13.921 -5.401 668 H VAL 89 H VAL 89 -2.987 -11.322 -2.138 669 HA VAL 89 HA VAL 89 -3.928 -8.718 -1.832 670 HB VAL 89 HB VAL 89 -1.705 -7.986 -2.685 671 HG11 VAL 89 1HG1 VAL 89 -1.535 -8.304 -0.442 672 HG12 VAL 89 2HG1 VAL 89 -0.427 -9.571 -0.969 673 HG13 VAL 89 3HG1 VAL 89 -2.084 -9.978 -0.525 674 HG21 VAL 89 3HG2 VAL 89 -0.102 -10.056 -2.969 675 HG22 VAL 89 1HG2 VAL 89 -1.012 -9.415 -4.335 676 HG23 VAL 89 2HG2 VAL 89 -1.587 -10.851 -3.487 677 H LEU 90 H LEU 90 -3.753 -6.916 -3.405 678 HA LEU 90 HA LEU 90 -4.065 -7.649 -6.202 679 HB2 LEU 90 2HB LEU 90 -6.269 -6.709 -4.463 680 HB3 LEU 90 1HB LEU 90 -6.168 -5.984 -6.055 681 HG LEU 90 HG LEU 90 -5.960 -8.585 -6.732 682 HD11 LEU 90 1HD1 LEU 90 -6.330 -9.818 -4.887 683 HD12 LEU 90 2HD1 LEU 90 -8.022 -9.449 -5.218 684 HD13 LEU 90 3HD1 LEU 90 -7.128 -8.497 -4.034 685 HD21 LEU 90 3HD2 LEU 90 -8.269 -6.730 -6.431 686 HD22 LEU 90 1HD2 LEU 90 -8.577 -8.401 -6.903 687 HD23 LEU 90 2HD2 LEU 90 -7.529 -7.384 -7.892 688 H ASP 91 H ASP 91 -4.513 -4.892 -3.973 689 HA ASP 91 HA ASP 91 -2.601 -3.366 -5.588 690 HB2 ASP 91 2HB ASP 91 -5.229 -2.963 -6.000 691 HB3 ASP 91 1HB ASP 91 -4.984 -1.871 -4.636 692 H SER 92 H SER 92 -1.252 -2.112 -4.413 693 HA SER 92 HA SER 92 -1.999 -1.369 -1.692 694 HB2 SER 92 2HB SER 92 -0.161 -2.247 -0.615 695 HB3 SER 92 1HB SER 92 -0.667 -3.561 -1.686 696 HG SER 92 HG SER 92 1.042 -3.188 -2.980 697 H GLN 93 H GLN 93 -1.343 0.565 -1.145 698 HA GLN 93 HA GLN 93 0.240 2.115 -3.024 699 HB2 GLN 93 2HB GLN 93 -0.764 3.986 -2.139 700 HB3 GLN 93 1HB GLN 93 -2.006 2.797 -1.750 701 HG2 GLN 93 2HG GLN 93 -0.954 2.567 0.509 702 HG3 GLN 93 1HG GLN 93 0.099 3.921 0.091 703 HE21 GLN 93 1HE2 GLN 93 -1.491 5.668 -1.135 704 HE22 GLN 93 2HE2 GLN 93 -2.770 6.190 -0.097 705 H VAL 94 H VAL 94 1.950 3.607 -1.969 706 HA VAL 94 HA VAL 94 3.617 1.902 -0.319 707 HB VAL 94 HB VAL 94 5.267 3.826 -0.536 708 HG11 VAL 94 1HG1 VAL 94 5.131 1.740 -1.991 709 HG12 VAL 94 2HG1 VAL 94 6.008 3.120 -2.651 710 HG13 VAL 94 3HG1 VAL 94 4.369 2.771 -3.201 711 HG21 VAL 94 3HG2 VAL 94 3.872 4.887 -2.877 712 HG22 VAL 94 1HG2 VAL 94 4.754 5.728 -1.603 713 HG23 VAL 94 2HG2 VAL 94 3.075 5.252 -1.346 714 H THR 95 H THR 95 3.134 1.878 1.769 715 HA THR 95 HA THR 95 2.515 4.437 3.075 716 HB THR 95 HB THR 95 1.177 3.242 4.662 717 HG1 THR 95 1HG THR 95 2.336 1.398 5.001 718 HG21 THR 95 3HG2 THR 95 -0.548 3.055 3.294 719 HG22 THR 95 1HG2 THR 95 0.103 1.569 2.590 720 HG23 THR 95 2HG2 THR 95 0.558 3.142 1.927 721 H LYS 96 H LYS 96 4.699 4.846 3.275 722 HA LYS 96 HA LYS 96 6.257 5.222 5.024 723 HB2 LYS 96 2HB LYS 96 5.169 3.439 6.450 724 HB3 LYS 96 1HB LYS 96 6.128 2.257 5.575 725 HG2 LYS 96 2HG LYS 96 7.263 2.710 7.599 726 HG3 LYS 96 1HG LYS 96 8.173 3.504 6.312 727 HD2 LYS 96 2HD LYS 96 7.404 5.632 6.931 728 HD3 LYS 96 1HD LYS 96 6.085 4.969 7.897 729 HE2 LYS 96 2HE LYS 96 9.002 4.606 8.557 730 HE3 LYS 96 1HE LYS 96 7.999 5.894 9.222 731 HZ1 LYS 96 3HZ LYS 96 7.708 4.363 10.838 732 HZ2 LYS 96 1HZ LYS 96 8.001 3.043 9.821 733 HZ3 LYS 96 2HZ LYS 96 6.492 3.807 9.804 734 H GLU 97 H GLU 97 6.618 5.122 2.394 735 HA GLU 97 HA GLU 97 8.061 3.370 1.018 736 HB2 GLU 97 2HB GLU 97 8.301 6.326 1.251 737 HB3 GLU 97 1HB GLU 97 9.540 5.475 0.338 738 HG2 GLU 97 2HG GLU 97 7.275 4.377 -0.681 739 HG3 GLU 97 1HG GLU 97 6.743 6.020 -0.327 740 H VAL 98 H VAL 98 9.785 2.142 1.317 741 HA VAL 98 HA VAL 98 11.488 2.476 3.577 742 HB VAL 98 HB VAL 98 10.946 0.252 2.679 743 HG11 VAL 98 1HG1 VAL 98 12.878 0.233 0.524 744 HG12 VAL 98 2HG1 VAL 98 11.566 1.371 0.215 745 HG13 VAL 98 3HG1 VAL 98 11.204 -0.322 0.544 746 HG21 VAL 98 3HG2 VAL 98 13.816 0.160 2.261 747 HG22 VAL 98 1HG2 VAL 98 12.839 -0.540 3.550 748 HG23 VAL 98 2HG2 VAL 98 13.371 1.136 3.659 749 H ILE 99 H ILE 99 12.932 4.029 3.684 750 HA ILE 99 HA ILE 99 14.085 5.307 1.427 751 HB ILE 99 HB ILE 99 15.115 5.391 4.262 752 HG12 ILE 99 2HG1 ILE 99 12.741 5.925 4.267 753 HG13 ILE 99 1HG1 ILE 99 13.678 7.395 4.522 754 HG21 ILE 99 1HG2 ILE 99 16.285 6.393 2.056 755 HG22 ILE 99 2HG2 ILE 99 16.416 7.130 3.652 756 HG23 ILE 99 3HG2 ILE 99 15.239 7.745 2.491 757 HD11 ILE 99 3HD1 ILE 99 13.340 7.263 1.776 758 HD12 ILE 99 1HD1 ILE 99 12.475 8.306 2.904 759 HD13 ILE 99 2HD1 ILE 99 11.791 6.746 2.443 760 H ASN 100 H ASN 100 15.592 4.495 0.144 761 HA ASN 100 HA ASN 100 17.262 2.298 0.987 762 HB2 ASN 100 2HB ASN 100 16.678 3.692 -1.573 763 HB3 ASN 100 1HB ASN 100 18.239 2.886 -1.439 764 HD21 ASN 100 1HD2 ASN 100 16.752 1.904 -3.315 765 HD22 ASN 100 2HD2 ASN 100 16.001 0.414 -2.868 766 H GLN 101 H GLN 101 19.294 2.412 1.715 767 HA GLN 101 HA GLN 101 20.464 4.861 2.428 768 HB2 GLN 101 2HB GLN 101 20.916 2.634 3.500 769 HB3 GLN 101 1HB GLN 101 21.903 2.229 2.104 770 HG2 GLN 101 2HG GLN 101 23.609 3.541 2.750 771 HG3 GLN 101 1HG GLN 101 22.547 4.774 3.428 772 HE21 GLN 101 1HE2 GLN 101 24.557 4.447 4.941 773 HE22 GLN 101 2HE2 GLN 101 24.260 3.425 6.301 774 H VAL 102 H VAL 102 21.226 6.332 1.076 775 HA VAL 102 HA VAL 102 22.386 5.510 -1.479 776 HB VAL 102 HB VAL 102 21.725 8.283 -0.475 777 HG11 VAL 102 1HG1 VAL 102 22.488 9.147 -2.400 778 HG12 VAL 102 2HG1 VAL 102 21.938 7.772 -3.359 779 HG13 VAL 102 3HG1 VAL 102 23.456 7.674 -2.466 780 HG21 VAL 102 3HG2 VAL 102 19.781 6.710 -0.784 781 HG22 VAL 102 1HG2 VAL 102 20.202 6.655 -2.496 782 HG23 VAL 102 2HG2 VAL 102 19.731 8.184 -1.753 783 H VAL 103 H VAL 103 24.453 4.866 -1.126 784 HA VAL 103 HA VAL 103 26.255 6.829 0.135 785 HB VAL 103 HB VAL 103 27.708 4.923 0.788 786 HG11 VAL 103 1HG1 VAL 103 26.143 5.948 2.378 787 HG12 VAL 103 2HG1 VAL 103 26.380 4.230 2.700 788 HG13 VAL 103 3HG1 VAL 103 24.908 4.782 1.902 789 HG21 VAL 103 3HG2 VAL 103 25.361 3.276 -0.147 790 HG22 VAL 103 1HG2 VAL 103 26.696 2.658 0.826 791 HG23 VAL 103 2HG2 VAL 103 26.998 3.262 -0.804 792 H GLU 104 H GLU 104 28.039 7.410 -0.973 793 HA GLU 104 HA GLU 104 28.572 6.011 -3.512 794 HB2 GLU 104 2HB GLU 104 29.139 8.931 -3.023 795 HB3 GLU 104 1HB GLU 104 29.096 8.074 -4.558 796 HG2 GLU 104 2HG GLU 104 26.667 8.399 -2.826 797 HG3 GLU 104 1HG GLU 104 27.141 9.590 -4.035 798 H VAL 105 H VAL 105 30.359 4.840 -3.232 799 HA VAL 105 HA VAL 105 32.494 5.803 -1.497 800 HB VAL 105 HB VAL 105 32.360 3.198 -3.020 801 HG11 VAL 105 1HG1 VAL 105 34.572 3.431 -2.416 802 HG12 VAL 105 2HG1 VAL 105 33.915 2.586 -1.015 803 HG13 VAL 105 3HG1 VAL 105 34.188 4.326 -0.946 804 HG21 VAL 105 3HG2 VAL 105 31.895 3.172 -0.122 805 HG22 VAL 105 1HG2 VAL 105 31.105 2.261 -1.408 806 HG23 VAL 105 2HG2 VAL 105 30.610 3.920 -1.071 807 H GLY 106 H GLY 106 34.547 6.313 -2.167 808 HA2 GLY 106 2HA GLY 106 34.896 7.461 -4.687 809 HA3 GLY 106 1HA GLY 106 36.198 7.043 -3.583 810 H ALA 107 H ALA 107 35.992 6.856 -6.538 811 HA ALA 107 HA ALA 107 35.695 4.223 -7.409 812 HB1 ALA 107 1HB ALA 107 37.460 6.417 -8.482 813 HB2 ALA 107 2HB ALA 107 35.813 6.032 -8.985 814 HB3 ALA 107 3HB ALA 107 37.125 4.901 -9.321 815 HA PRO 108 HA PRO 108 39.095 1.992 -5.695 816 HB2 PRO 108 2HB PRO 108 39.634 0.320 -7.835 817 HB3 PRO 108 1HB PRO 108 38.383 0.038 -6.622 818 HG2 PRO 108 2HG PRO 108 38.137 1.187 -9.367 819 HG3 PRO 108 1HG PRO 108 37.048 0.085 -8.508 820 HD2 PRO 108 2HD PRO 108 36.504 2.704 -8.758 821 HD3 PRO 108 1HD PRO 108 36.069 1.797 -7.295 822 H VAL 109 H VAL 109 39.870 2.057 -9.160 823 HA VAL 109 HA VAL 109 41.809 4.071 -9.082 824 HB VAL 109 HB VAL 109 43.020 2.556 -7.578 825 HG11 VAL 109 1HG1 VAL 109 43.216 0.625 -9.878 826 HG12 VAL 109 2HG1 VAL 109 42.028 0.464 -8.583 827 HG13 VAL 109 3HG1 VAL 109 43.751 0.396 -8.211 828 HG21 VAL 109 3HG2 VAL 109 44.044 3.940 -9.658 829 HG22 VAL 109 1HG2 VAL 109 44.660 2.325 -10.014 830 HG23 VAL 109 2HG2 VAL 109 45.023 3.086 -8.465 831 H THR 110 H THR 110 41.096 0.874 -10.450 832 HA THR 110 HA THR 110 40.604 1.832 -13.035 833 HB THR 110 HB THR 110 42.998 2.300 -13.109 834 HG1 THR 110 1HG THR 110 41.870 1.383 -14.974 835 HG21 THR 110 3HG2 THR 110 43.257 -0.161 -11.728 836 HG22 THR 110 1HG2 THR 110 44.505 1.013 -12.145 837 HG23 THR 110 2HG2 THR 110 44.110 -0.290 -13.266 838 H HIS 111 H HIS 111 39.461 0.009 -11.201 839 HA HIS 111 HA HIS 111 38.879 -2.151 -12.927 840 HB2 HIS 111 2HB HIS 111 39.777 -3.996 -11.541 841 HB3 HIS 111 1HB HIS 111 41.049 -2.997 -12.235 842 HD1 HIS 111 1HD HIS 111 39.799 -1.069 -9.552 843 HD2 HIS 111 2HD HIS 111 42.247 -4.416 -9.808 844 HE1 HIS 111 1HE HIS 111 41.048 -1.154 -7.372 845 HE2 HIS 111 2HE HIS 111 42.459 -3.238 -7.515 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -19.131 -29.488 -34.950 2 H2 MET 1 2HT MET 1 -20.053 -30.641 -34.072 3 H3 MET 1 3HT MET 1 -18.349 -30.812 -34.192 4 HA MET 1 HA MET 1 -18.038 -28.795 -32.968 5 HB2 MET 1 2HB MET 1 -20.214 -27.811 -33.756 6 HB3 MET 1 1HB MET 1 -21.042 -28.863 -32.617 7 HG2 MET 1 2HG MET 1 -19.812 -27.793 -30.773 8 HG3 MET 1 1HG MET 1 -19.061 -26.703 -31.936 9 HE1 MET 1 2HE MET 1 -21.524 -25.637 -29.265 10 HE2 MET 1 3HE MET 1 -21.130 -24.219 -30.234 11 HE3 MET 1 1HE MET 1 -19.883 -25.410 -29.868 12 H GLY 2 H GLY 2 -17.244 -29.362 -31.039 13 HA2 GLY 2 2HA GLY 2 -18.373 -31.730 -29.716 14 HA3 GLY 2 1HA GLY 2 -16.758 -31.086 -29.468 15 H SER 3 H SER 3 -20.013 -29.626 -29.290 16 HA SER 3 HA SER 3 -19.830 -29.297 -26.437 17 HB2 SER 3 2HB SER 3 -18.420 -27.420 -27.293 18 HB3 SER 3 1HB SER 3 -19.825 -26.808 -28.164 19 HG SER 3 HG SER 3 -20.707 -26.162 -26.328 20 H SER 4 H SER 4 -21.784 -30.451 -26.484 21 HA SER 4 HA SER 4 -24.052 -29.546 -27.977 22 HB2 SER 4 2HB SER 4 -23.749 -31.543 -25.728 23 HB3 SER 4 1HB SER 4 -25.297 -31.193 -26.496 24 HG SER 4 HG SER 4 -23.042 -32.487 -27.531 25 H HIS 5 H HIS 5 -23.278 -29.542 -24.492 26 HA HIS 5 HA HIS 5 -25.022 -27.187 -24.197 27 HB2 HIS 5 2HB HIS 5 -25.814 -29.516 -23.234 28 HB3 HIS 5 1HB HIS 5 -24.704 -29.112 -21.929 29 HD1 HIS 5 1HD HIS 5 -27.533 -27.335 -23.773 30 HD2 HIS 5 2HD HIS 5 -25.960 -27.776 -19.952 31 HE1 HIS 5 1HE HIS 5 -29.045 -26.007 -22.267 32 HE2 HIS 5 2HE HIS 5 -28.025 -26.219 -19.972 33 H HIS 6 H HIS 6 -22.052 -27.536 -24.542 34 HA HIS 6 HA HIS 6 -20.146 -26.561 -23.800 35 HB2 HIS 6 2HB HIS 6 -21.951 -25.074 -21.879 36 HB3 HIS 6 1HB HIS 6 -20.301 -24.635 -22.307 37 HD1 HIS 6 1HD HIS 6 -23.808 -24.440 -23.510 38 HD2 HIS 6 2HD HIS 6 -20.001 -23.502 -24.885 39 HE1 HIS 6 1HE HIS 6 -24.163 -22.977 -25.523 40 HE2 HIS 6 2HE HIS 6 -21.845 -22.350 -26.286 41 H HIS 7 H HIS 7 -18.835 -26.106 -21.683 42 HA HIS 7 HA HIS 7 -18.805 -28.583 -20.213 43 HB2 HIS 7 2HB HIS 7 -16.756 -27.697 -19.190 44 HB3 HIS 7 1HB HIS 7 -16.715 -27.506 -20.940 45 HD1 HIS 7 1HD HIS 7 -16.254 -25.035 -17.457 46 HD2 HIS 7 2HD HIS 7 -17.016 -23.553 -18.407 47 HE1 HIS 7 1HE HIS 7 -16.669 -24.052 -20.819 48 HE2 HIS 7 2HE HIS 7 -15.141 -26.187 -19.461 49 H HIS 8 H HIS 8 -17.767 -27.275 -17.712 50 HA HIS 8 HA HIS 8 -19.973 -27.390 -16.099 51 HB2 HIS 8 2HB HIS 8 -17.348 -26.954 -15.642 52 HB3 HIS 8 1HB HIS 8 -17.972 -25.338 -15.329 53 HD1 HIS 8 1HD HIS 8 -18.367 -28.902 -14.128 54 HD2 HIS 8 2HD HIS 8 -19.196 -25.022 -12.896 55 HE1 HIS 8 1HE HIS 8 -19.138 -29.105 -11.744 56 HE2 HIS 8 2HE HIS 8 -19.709 -26.753 -11.045 57 H HIS 9 H HIS 9 -18.550 -24.403 -17.437 58 HA HIS 9 HA HIS 9 -19.413 -22.358 -17.894 59 HB2 HIS 9 2HB HIS 9 -21.408 -24.238 -18.643 60 HB3 HIS 9 1HB HIS 9 -22.230 -22.870 -17.899 61 HD1 HIS 9 1HD HIS 9 -19.506 -23.360 -20.524 62 HD2 HIS 9 2HD HIS 9 -22.776 -20.935 -19.694 63 HE1 HIS 9 1HE HIS 9 -19.701 -21.801 -22.486 64 HE2 HIS 9 2HE HIS 9 -21.640 -20.292 -21.927 65 H SER 10 H SER 10 -21.271 -20.756 -17.165 66 HA SER 10 HA SER 10 -21.531 -20.989 -14.237 67 HB2 SER 10 2HB SER 10 -20.644 -18.721 -15.962 68 HB3 SER 10 1HB SER 10 -21.588 -18.335 -14.525 69 HG SER 10 HG SER 10 -19.049 -19.505 -14.732 70 H SER 11 H SER 11 -23.534 -22.113 -15.444 71 HA SER 11 HA SER 11 -25.605 -20.432 -16.386 72 HB2 SER 11 2HB SER 11 -25.613 -23.257 -15.324 73 HB3 SER 11 1HB SER 11 -27.064 -22.462 -15.937 74 HG SER 11 HG SER 11 -24.751 -23.262 -17.312 75 H GLY 12 H GLY 12 -24.487 -21.051 -13.196 76 HA2 GLY 12 2HA GLY 12 -27.018 -20.537 -11.901 77 HA3 GLY 12 1HA GLY 12 -25.469 -20.765 -11.114 78 H LEU 13 H LEU 13 -24.888 -18.444 -13.408 79 HA LEU 13 HA LEU 13 -26.049 -16.214 -12.015 80 HB2 LEU 13 2HB LEU 13 -23.886 -15.120 -11.476 81 HB3 LEU 13 1HB LEU 13 -24.266 -16.517 -10.498 82 HG LEU 13 HG LEU 13 -21.964 -16.648 -10.893 83 HD11 LEU 13 1HD1 LEU 13 -23.313 -18.748 -11.398 84 HD12 LEU 13 2HD1 LEU 13 -21.637 -18.692 -11.943 85 HD13 LEU 13 3HD1 LEU 13 -22.945 -18.422 -13.092 86 HD21 LEU 13 3HD2 LEU 13 -20.882 -15.769 -12.619 87 HD22 LEU 13 1HD2 LEU 13 -22.439 -15.112 -13.117 88 HD23 LEU 13 2HD2 LEU 13 -21.868 -16.636 -13.795 89 H VAL 14 H VAL 14 -23.631 -17.188 -14.452 90 HA VAL 14 HA VAL 14 -24.818 -15.289 -16.304 91 HB VAL 14 HB VAL 14 -21.890 -15.128 -15.554 92 HG11 VAL 14 1HG1 VAL 14 -21.758 -14.830 -17.831 93 HG12 VAL 14 2HG1 VAL 14 -22.053 -13.176 -17.294 94 HG13 VAL 14 3HG1 VAL 14 -23.378 -14.141 -17.946 95 HG21 VAL 14 3HG2 VAL 14 -22.417 -12.771 -15.064 96 HG22 VAL 14 1HG2 VAL 14 -23.326 -13.886 -14.044 97 HG23 VAL 14 2HG2 VAL 14 -24.117 -13.096 -15.408 98 HA PRO 15 HA PRO 15 -23.544 -19.170 -18.394 99 HB2 PRO 15 2HB PRO 15 -26.065 -19.201 -19.744 100 HB3 PRO 15 1HB PRO 15 -25.521 -20.263 -18.447 101 HG2 PRO 15 2HG PRO 15 -27.556 -18.385 -18.242 102 HG3 PRO 15 1HG PRO 15 -26.697 -19.119 -16.879 103 HD2 PRO 15 2HD PRO 15 -26.331 -16.440 -18.136 104 HD3 PRO 15 1HD PRO 15 -26.163 -16.927 -16.435 105 H ARG 16 H ARG 16 -25.807 -17.049 -20.156 106 HA ARG 16 HA ARG 16 -23.761 -16.703 -22.248 107 HB2 ARG 16 2HB ARG 16 -25.644 -16.514 -23.876 108 HB3 ARG 16 1HB ARG 16 -25.493 -18.105 -23.147 109 HG2 ARG 16 2HG ARG 16 -27.703 -17.924 -22.856 110 HG3 ARG 16 1HG ARG 16 -27.265 -16.943 -21.459 111 HD2 ARG 16 2HD ARG 16 -27.194 -15.104 -23.467 112 HD3 ARG 16 1HD ARG 16 -28.493 -16.165 -24.008 113 HE ARG 16 HE ARG 16 -29.125 -15.707 -21.422 114 HH11 ARG 16 1HH1 ARG 16 -28.346 -13.565 -24.082 115 HH12 ARG 16 2HH1 ARG 16 -29.329 -12.271 -23.487 116 HH21 ARG 16 1HH2 ARG 16 -30.419 -13.999 -20.645 117 HH22 ARG 16 2HH2 ARG 16 -30.506 -12.516 -21.536 118 H GLY 17 H GLY 17 -26.527 -15.248 -20.575 119 HA2 GLY 17 2HA GLY 17 -25.364 -12.598 -21.111 120 HA3 GLY 17 1HA GLY 17 -27.076 -12.879 -21.402 121 H SER 18 H SER 18 -28.392 -13.571 -19.547 122 HA SER 18 HA SER 18 -29.206 -13.258 -17.451 123 HB2 SER 18 2HB SER 18 -26.964 -14.664 -17.100 124 HB3 SER 18 1HB SER 18 -26.481 -13.203 -16.238 125 HG SER 18 HG SER 18 -27.507 -14.684 -14.847 126 H HIS 19 H HIS 19 -27.976 -11.899 -15.212 127 HA HIS 19 HA HIS 19 -28.799 -9.274 -15.680 128 HB2 HIS 19 2HB HIS 19 -27.294 -10.657 -13.517 129 HB3 HIS 19 1HB HIS 19 -27.231 -8.899 -13.547 130 HD1 HIS 19 1HD HIS 19 -29.336 -7.631 -12.867 131 HD2 HIS 19 2HD HIS 19 -29.859 -11.752 -12.993 132 HE1 HIS 19 1HE HIS 19 -31.560 -8.060 -11.775 133 HE2 HIS 19 2HE HIS 19 -31.894 -10.551 -11.940 134 H MET 20 H MET 20 -25.650 -10.770 -16.078 135 HA MET 20 HA MET 20 -23.766 -10.076 -17.137 136 HB2 MET 20 2HB MET 20 -25.303 -7.560 -17.812 137 HB3 MET 20 1HB MET 20 -23.783 -8.069 -18.531 138 HG2 MET 20 2HG MET 20 -25.741 -10.149 -18.788 139 HG3 MET 20 1HG MET 20 -26.374 -8.630 -19.415 140 HE1 MET 20 3HE MET 20 -22.582 -10.014 -19.440 141 HE2 MET 20 1HE MET 20 -22.681 -10.892 -20.967 142 HE3 MET 20 2HE MET 20 -23.704 -11.364 -19.610 143 H SER 21 H SER 21 -22.127 -9.701 -15.822 144 HA SER 21 HA SER 21 -22.241 -7.891 -13.632 145 HB2 SER 21 2HB SER 21 -19.977 -9.464 -14.864 146 HB3 SER 21 1HB SER 21 -19.761 -8.434 -13.449 147 HG SER 21 HG SER 21 -21.185 -10.831 -13.713 148 H LEU 22 H LEU 22 -21.254 -7.553 -16.941 149 HA LEU 22 HA LEU 22 -19.781 -5.092 -16.420 150 HB2 LEU 22 2HB LEU 22 -20.363 -6.530 -19.011 151 HB3 LEU 22 1HB LEU 22 -19.349 -5.109 -18.851 152 HG LEU 22 HG LEU 22 -18.123 -6.762 -17.091 153 HD11 LEU 22 1HD1 LEU 22 -19.461 -8.682 -17.463 154 HD12 LEU 22 2HD1 LEU 22 -17.932 -8.966 -18.293 155 HD13 LEU 22 3HD1 LEU 22 -19.362 -8.499 -19.213 156 HD21 LEU 22 3HD2 LEU 22 -17.652 -6.624 -20.068 157 HD22 LEU 22 1HD2 LEU 22 -16.481 -7.168 -18.867 158 HD23 LEU 22 2HD2 LEU 22 -17.038 -5.496 -18.861 159 H ASP 23 H ASP 23 -22.740 -6.172 -18.059 160 HA ASP 23 HA ASP 23 -23.518 -3.642 -19.045 161 HB2 ASP 23 2HB ASP 23 -24.393 -6.030 -19.634 162 HB3 ASP 23 1HB ASP 23 -25.520 -5.753 -18.309 163 H GLU 24 H GLU 24 -23.974 -5.206 -15.935 164 HA GLU 24 HA GLU 24 -26.048 -3.618 -14.921 165 HB2 GLU 24 2HB GLU 24 -25.220 -4.301 -12.686 166 HB3 GLU 24 1HB GLU 24 -25.402 -5.649 -13.798 167 HG2 GLU 24 2HG GLU 24 -23.227 -6.150 -13.740 168 HG3 GLU 24 1HG GLU 24 -22.733 -4.460 -13.806 169 H ASN 25 H ASN 25 -22.704 -2.858 -15.440 170 HA ASN 25 HA ASN 25 -21.562 -0.908 -15.278 171 HB2 ASN 25 2HB ASN 25 -22.924 0.785 -15.801 172 HB3 ASN 25 1HB ASN 25 -24.312 -0.057 -15.130 173 HD21 ASN 25 1HD2 ASN 25 -24.889 0.325 -12.954 174 HD22 ASN 25 2HD2 ASN 25 -24.367 1.751 -12.130 175 H GLU 26 H GLU 26 -20.500 0.455 -13.699 176 HA GLU 26 HA GLU 26 -19.536 0.908 -11.703 177 HB2 GLU 26 2HB GLU 26 -22.112 -0.258 -10.658 178 HB3 GLU 26 1HB GLU 26 -20.823 0.253 -9.579 179 HG2 GLU 26 2HG GLU 26 -22.410 1.948 -11.483 180 HG3 GLU 26 1HG GLU 26 -22.387 2.026 -9.724 181 H VAL 27 H VAL 27 -21.007 -1.979 -10.309 182 HA VAL 27 HA VAL 27 -19.063 -3.847 -11.058 183 HB VAL 27 HB VAL 27 -17.407 -2.621 -9.876 184 HG11 VAL 27 1HG1 VAL 27 -17.593 -1.633 -7.802 185 HG12 VAL 27 2HG1 VAL 27 -18.909 -2.691 -7.295 186 HG13 VAL 27 3HG1 VAL 27 -19.212 -1.403 -8.460 187 HG21 VAL 27 3HG2 VAL 27 -18.224 -4.770 -7.937 188 HG22 VAL 27 1HG2 VAL 27 -16.597 -4.216 -8.334 189 HG23 VAL 27 2HG2 VAL 27 -17.535 -5.120 -9.523 190 H ALA 28 H ALA 28 -20.823 -2.882 -8.095 191 HA ALA 28 HA ALA 28 -21.928 -4.185 -6.551 192 HB1 ALA 28 1HB ALA 28 -23.419 -4.710 -9.115 193 HB2 ALA 28 2HB ALA 28 -23.643 -3.350 -8.017 194 HB3 ALA 28 3HB ALA 28 -24.060 -4.983 -7.496 195 H ALA 29 H ALA 29 -22.846 -6.528 -8.981 196 HA ALA 29 HA ALA 29 -22.590 -8.777 -9.113 197 HB1 ALA 29 1HB ALA 29 -20.365 -9.650 -9.022 198 HB2 ALA 29 2HB ALA 29 -19.814 -8.289 -8.044 199 HB3 ALA 29 3HB ALA 29 -20.290 -8.034 -9.724 200 H ASN 30 H ASN 30 -23.826 -7.843 -6.756 201 HA ASN 30 HA ASN 30 -24.480 -8.486 -4.677 202 HB2 ASN 30 2HB ASN 30 -23.323 -11.133 -5.583 203 HB3 ASN 30 1HB ASN 30 -24.395 -10.914 -4.204 204 HD21 ASN 30 1HD2 ASN 30 -26.563 -10.210 -4.601 205 HD22 ASN 30 2HD2 ASN 30 -27.315 -10.536 -6.122 206 H VAL 31 H VAL 31 -21.865 -7.279 -4.868 207 HA VAL 31 HA VAL 31 -19.961 -6.913 -3.680 208 HB VAL 31 HB VAL 31 -21.315 -8.217 -1.327 209 HG11 VAL 31 1HG1 VAL 31 -18.909 -6.984 -1.534 210 HG12 VAL 31 2HG1 VAL 31 -19.859 -7.073 -0.052 211 HG13 VAL 31 3HG1 VAL 31 -19.942 -5.634 -1.068 212 HG21 VAL 31 3HG2 VAL 31 -21.970 -5.576 -2.611 213 HG22 VAL 31 1HG2 VAL 31 -22.340 -5.933 -0.924 214 HG23 VAL 31 2HG2 VAL 31 -23.066 -6.897 -2.209 215 H GLU 32 H GLU 32 -19.520 -9.022 -5.199 216 HA GLU 32 HA GLU 32 -18.406 -11.130 -3.476 217 HB2 GLU 32 2HB GLU 32 -19.126 -11.122 -6.408 218 HB3 GLU 32 1HB GLU 32 -18.234 -12.428 -5.641 219 HG2 GLU 32 2HG GLU 32 -21.044 -11.540 -5.041 220 HG3 GLU 32 1HG GLU 32 -20.532 -13.054 -5.783 221 H THR 33 H THR 33 -17.586 -9.253 -6.407 222 HA THR 33 HA THR 33 -14.771 -9.876 -6.074 223 HB THR 33 HB THR 33 -16.067 -8.037 -8.096 224 HG1 THR 33 1HG THR 33 -16.902 -9.878 -8.725 225 HG21 THR 33 3HG2 THR 33 -13.969 -7.590 -8.664 226 HG22 THR 33 1HG2 THR 33 -13.905 -9.243 -9.278 227 HG23 THR 33 2HG2 THR 33 -13.328 -8.883 -7.651 228 H ARG 34 H ARG 34 -13.554 -8.758 -4.711 229 HA ARG 34 HA ARG 34 -12.692 -7.089 -3.437 230 HB2 ARG 34 2HB ARG 34 -13.817 -5.364 -5.653 231 HB3 ARG 34 1HB ARG 34 -12.730 -4.787 -4.398 232 HG2 ARG 34 2HG ARG 34 -12.042 -7.000 -6.318 233 HG3 ARG 34 1HG ARG 34 -11.639 -5.301 -6.578 234 HD2 ARG 34 2HD ARG 34 -10.802 -5.968 -3.964 235 HD3 ARG 34 1HD ARG 34 -10.258 -7.265 -5.027 236 HE ARG 34 HE ARG 34 -9.462 -5.132 -6.398 237 HH11 ARG 34 1HH1 ARG 34 -9.143 -5.850 -2.982 238 HH12 ARG 34 2HH1 ARG 34 -7.687 -4.933 -2.803 239 HH21 ARG 34 1HH2 ARG 34 -7.546 -3.928 -6.149 240 HH22 ARG 34 2HH2 ARG 34 -6.786 -3.837 -4.597 241 HA PRO 35 HA PRO 35 -16.996 -6.175 -1.753 242 HB2 PRO 35 2HB PRO 35 -16.885 -7.811 0.406 243 HB3 PRO 35 1HB PRO 35 -17.463 -8.349 -1.174 244 HG2 PRO 35 2HG PRO 35 -14.796 -8.757 0.110 245 HG3 PRO 35 1HG PRO 35 -15.768 -9.893 -0.842 246 HD2 PRO 35 2HD PRO 35 -13.639 -8.521 -1.855 247 HD3 PRO 35 1HD PRO 35 -15.015 -9.053 -2.838 248 H GLU 36 H GLU 36 -13.993 -6.803 0.069 249 HA GLU 36 HA GLU 36 -14.189 -4.166 1.283 250 HB2 GLU 36 2HB GLU 36 -15.361 -5.511 2.907 251 HB3 GLU 36 1HB GLU 36 -14.095 -6.729 2.883 252 HG2 GLU 36 2HG GLU 36 -14.054 -5.292 4.889 253 HG3 GLU 36 1HG GLU 36 -12.557 -5.247 3.961 254 H LEU 37 H LEU 37 -12.290 -3.295 0.768 255 HA LEU 37 HA LEU 37 -9.968 -4.865 0.241 256 HB2 LEU 37 2HB LEU 37 -10.472 -1.907 0.407 257 HB3 LEU 37 1HB LEU 37 -8.845 -2.538 0.214 258 HG LEU 37 HG LEU 37 -9.977 -3.837 -1.810 259 HD11 LEU 37 1HD1 LEU 37 -11.709 -1.408 -1.411 260 HD12 LEU 37 2HD1 LEU 37 -12.218 -3.094 -1.509 261 HD13 LEU 37 3HD1 LEU 37 -11.579 -2.281 -2.938 262 HD21 LEU 37 3HD2 LEU 37 -9.253 -1.983 -3.273 263 HD22 LEU 37 1HD2 LEU 37 -8.072 -2.371 -2.022 264 HD23 LEU 37 2HD2 LEU 37 -9.104 -0.952 -1.850 265 H ILE 38 H ILE 38 -8.839 -5.822 1.790 266 HA ILE 38 HA ILE 38 -8.605 -4.511 4.399 267 HB ILE 38 HB ILE 38 -7.883 -6.615 5.317 268 HG12 ILE 38 2HG1 ILE 38 -8.059 -7.740 2.512 269 HG13 ILE 38 1HG1 ILE 38 -6.568 -7.410 3.381 270 HG21 ILE 38 1HG2 ILE 38 -10.317 -6.177 4.968 271 HG22 ILE 38 2HG2 ILE 38 -9.889 -7.882 5.102 272 HG23 ILE 38 3HG2 ILE 38 -10.232 -7.181 3.521 273 HD11 ILE 38 3HD1 ILE 38 -7.970 -9.789 3.335 274 HD12 ILE 38 1HD1 ILE 38 -8.319 -9.102 4.922 275 HD13 ILE 38 2HD1 ILE 38 -6.647 -9.356 4.417 276 H THR 39 H THR 39 -6.878 -3.454 4.839 277 HA THR 39 HA THR 39 -4.545 -3.533 3.120 278 HB THR 39 HB THR 39 -3.830 -1.653 4.754 279 HG1 THR 39 1HG THR 39 -6.568 -1.474 5.335 280 HG21 THR 39 3HG2 THR 39 -6.120 -1.457 2.847 281 HG22 THR 39 1HG2 THR 39 -4.463 -0.879 2.668 282 HG23 THR 39 2HG2 THR 39 -5.573 -0.048 3.758 283 H ARG 40 H ARG 40 -2.579 -4.164 3.641 284 HA ARG 40 HA ARG 40 -1.821 -4.904 6.325 285 HB2 ARG 40 2HB ARG 40 -3.074 -6.906 5.337 286 HB3 ARG 40 1HB ARG 40 -1.741 -7.051 4.202 287 HG2 ARG 40 2HG ARG 40 -0.222 -7.633 5.877 288 HG3 ARG 40 1HG ARG 40 -1.269 -7.027 7.161 289 HD2 ARG 40 2HD ARG 40 -2.498 -8.921 7.234 290 HD3 ARG 40 1HD ARG 40 -2.411 -9.170 5.492 291 HE ARG 40 HE ARG 40 -0.600 -10.197 7.499 292 HH11 ARG 40 1HH1 ARG 40 -1.108 -9.566 4.090 293 HH12 ARG 40 2HH1 ARG 40 0.097 -10.697 3.578 294 HH21 ARG 40 1HH2 ARG 40 0.985 -11.685 6.816 295 HH22 ARG 40 2HH2 ARG 40 1.286 -11.900 5.124 296 H THR 41 H THR 41 0.165 -4.097 6.485 297 HA THR 41 HA THR 41 1.669 -3.497 4.106 298 HB THR 41 HB THR 41 3.329 -2.516 5.661 299 HG1 THR 41 1HG THR 41 1.567 -3.241 7.756 300 HG21 THR 41 3HG2 THR 41 1.812 -0.880 5.162 301 HG22 THR 41 1HG2 THR 41 1.678 -0.950 6.919 302 HG23 THR 41 2HG2 THR 41 0.466 -1.741 5.910 303 H GLU 42 H GLU 42 3.161 -4.598 3.194 304 HA GLU 42 HA GLU 42 4.052 -7.091 4.439 305 HB2 GLU 42 2HB GLU 42 4.607 -6.205 1.610 306 HB3 GLU 42 1HB GLU 42 4.634 -7.838 2.261 307 HG2 GLU 42 2HG GLU 42 2.171 -6.134 1.930 308 HG3 GLU 42 1HG GLU 42 2.683 -7.418 0.836 309 H GLU 43 H GLU 43 6.151 -7.520 4.894 310 HA GLU 43 HA GLU 43 7.879 -5.343 5.389 311 HB2 GLU 43 2HB GLU 43 7.773 -7.722 6.491 312 HB3 GLU 43 1HB GLU 43 8.910 -8.154 5.223 313 HG2 GLU 43 2HG GLU 43 9.265 -6.129 7.413 314 HG3 GLU 43 1HG GLU 43 10.178 -7.611 7.144 315 H ILE 44 H ILE 44 8.450 -4.194 3.638 316 HA ILE 44 HA ILE 44 9.677 -5.568 1.359 317 HB ILE 44 HB ILE 44 8.752 -2.699 1.660 318 HG12 ILE 44 2HG1 ILE 44 7.565 -4.503 -0.363 319 HG13 ILE 44 1HG1 ILE 44 7.214 -4.921 1.308 320 HG21 ILE 44 1HG2 ILE 44 10.689 -2.899 0.156 321 HG22 ILE 44 2HG2 ILE 44 9.220 -2.443 -0.707 322 HG23 ILE 44 3HG2 ILE 44 9.813 -4.102 -0.790 323 HD11 ILE 44 3HD1 ILE 44 6.719 -2.203 1.222 324 HD12 ILE 44 1HD1 ILE 44 5.512 -3.505 1.143 325 HD13 ILE 44 2HD1 ILE 44 6.151 -2.794 -0.344 326 HA PRO 45 HA PRO 45 13.483 -4.325 3.485 327 HB2 PRO 45 2HB PRO 45 15.081 -6.147 2.339 328 HB3 PRO 45 1HB PRO 45 13.929 -6.580 3.608 329 HG2 PRO 45 2HG PRO 45 13.671 -6.878 0.637 330 HG3 PRO 45 1HG PRO 45 13.275 -8.045 1.912 331 HD2 PRO 45 2HD PRO 45 11.410 -6.486 0.690 332 HD3 PRO 45 1HD PRO 45 11.256 -7.052 2.365 333 H PHE 46 H PHE 46 15.189 -3.074 2.969 334 HA PHE 46 HA PHE 46 15.306 -1.957 0.297 335 HB2 PHE 46 2HB PHE 46 16.688 -0.247 1.261 336 HB3 PHE 46 1HB PHE 46 15.367 -0.549 2.382 337 HD1 PHE 46 2HD PHE 46 18.965 -0.921 1.798 338 HD2 PHE 46 1HD PHE 46 15.777 -1.532 4.552 339 HE1 PHE 46 2HE PHE 46 20.593 -1.308 3.600 340 HE2 PHE 46 1HE PHE 46 17.401 -1.924 6.353 341 HZ PHE 46 HZ PHE 46 19.814 -1.810 5.879 342 H GLU 47 H GLU 47 17.755 -1.310 -0.312 343 HA GLU 47 HA GLU 47 19.578 -3.540 0.117 344 HB2 GLU 47 2HB GLU 47 17.989 -3.879 -1.953 345 HB3 GLU 47 1HB GLU 47 19.096 -2.756 -2.728 346 HG2 GLU 47 2HG GLU 47 20.537 -4.826 -1.335 347 HG3 GLU 47 1HG GLU 47 19.379 -5.511 -2.473 348 H VAL 48 H VAL 48 21.458 -2.665 0.624 349 HA VAL 48 HA VAL 48 22.159 0.035 0.174 350 HB VAL 48 HB VAL 48 24.076 -2.208 0.820 351 HG11 VAL 48 1HG1 VAL 48 24.303 0.679 0.627 352 HG12 VAL 48 2HG1 VAL 48 25.562 -0.551 0.721 353 HG13 VAL 48 3HG1 VAL 48 24.823 0.069 2.198 354 HG21 VAL 48 3HG2 VAL 48 21.860 -1.258 2.357 355 HG22 VAL 48 1HG2 VAL 48 23.363 -0.826 3.170 356 HG23 VAL 48 2HG2 VAL 48 23.036 -2.509 2.757 357 H ILE 49 H ILE 49 23.309 1.025 -1.399 358 HA ILE 49 HA ILE 49 24.481 -0.662 -3.516 359 HB ILE 49 HB ILE 49 23.210 2.035 -3.961 360 HG12 ILE 49 2HG1 ILE 49 21.573 0.265 -3.242 361 HG13 ILE 49 1HG1 ILE 49 21.272 0.937 -4.839 362 HG21 ILE 49 1HG2 ILE 49 24.893 1.518 -5.594 363 HG22 ILE 49 2HG2 ILE 49 23.304 1.356 -6.341 364 HG23 ILE 49 3HG2 ILE 49 24.204 -0.083 -5.859 365 HD11 ILE 49 3HD1 ILE 49 21.959 -1.007 -5.914 366 HD12 ILE 49 1HD1 ILE 49 21.050 -1.587 -4.518 367 HD13 ILE 49 2HD1 ILE 49 22.813 -1.604 -4.491 368 H LYS 50 H LYS 50 26.461 -0.112 -4.297 369 HA LYS 50 HA LYS 50 27.889 2.022 -2.872 370 HB2 LYS 50 2HB LYS 50 28.968 -0.290 -4.503 371 HB3 LYS 50 1HB LYS 50 29.946 0.894 -3.647 372 HG2 LYS 50 2HG LYS 50 27.957 -0.895 -2.274 373 HG3 LYS 50 1HG LYS 50 29.654 -1.321 -2.501 374 HD2 LYS 50 2HD LYS 50 29.220 1.344 -1.357 375 HD3 LYS 50 1HD LYS 50 28.644 0.018 -0.346 376 HE2 LYS 50 2HE LYS 50 30.830 -1.029 -0.428 377 HE3 LYS 50 1HE LYS 50 31.415 0.224 -1.521 378 HZ1 LYS 50 3HZ LYS 50 30.784 1.819 0.356 379 HZ2 LYS 50 1HZ LYS 50 32.175 0.878 0.558 380 HZ3 LYS 50 2HZ LYS 50 30.743 0.448 1.346 381 H LYS 51 H LYS 51 27.805 3.905 -3.912 382 HA LYS 51 HA LYS 51 27.988 3.930 -6.847 383 HB2 LYS 51 2HB LYS 51 26.737 5.741 -4.832 384 HB3 LYS 51 1HB LYS 51 27.310 6.442 -6.337 385 HG2 LYS 51 2HG LYS 51 25.070 5.982 -6.735 386 HG3 LYS 51 1HG LYS 51 25.922 4.640 -7.499 387 HD2 LYS 51 2HD LYS 51 24.218 3.565 -6.352 388 HD3 LYS 51 1HD LYS 51 25.567 3.444 -5.224 389 HE2 LYS 51 2HE LYS 51 24.521 4.680 -3.685 390 HE3 LYS 51 1HE LYS 51 24.038 5.890 -4.871 391 HZ1 LYS 51 3HZ LYS 51 22.452 3.937 -3.648 392 HZ2 LYS 51 1HZ LYS 51 22.508 3.583 -5.300 393 HZ3 LYS 51 2HZ LYS 51 21.986 5.103 -4.778 394 H GLU 52 H GLU 52 30.073 4.092 -7.463 395 HA GLU 52 HA GLU 52 32.133 5.274 -5.954 396 HB2 GLU 52 2HB GLU 52 31.836 4.285 -8.734 397 HB3 GLU 52 1HB GLU 52 33.142 5.426 -8.453 398 HG2 GLU 52 2HG GLU 52 32.731 2.735 -7.187 399 HG3 GLU 52 1HG GLU 52 34.056 3.263 -8.221 400 H ASN 53 H ASN 53 32.032 7.339 -5.330 401 HA ASN 53 HA ASN 53 31.256 9.374 -7.300 402 HB2 ASN 53 2HB ASN 53 30.480 8.958 -4.612 403 HB3 ASN 53 1HB ASN 53 31.452 10.425 -4.638 404 HD21 ASN 53 1HD2 ASN 53 30.229 12.157 -4.771 405 HD22 ASN 53 2HD2 ASN 53 28.790 12.319 -5.711 406 HA PRO 54 HA PRO 54 35.592 10.516 -7.260 407 HB2 PRO 54 2HB PRO 54 35.411 12.483 -9.105 408 HB3 PRO 54 1HB PRO 54 35.375 10.770 -9.540 409 HG2 PRO 54 2HG PRO 54 33.102 12.694 -9.235 410 HG3 PRO 54 1HG PRO 54 33.374 11.474 -10.492 411 HD2 PRO 54 2HD PRO 54 31.693 11.089 -8.389 412 HD3 PRO 54 1HD PRO 54 32.570 9.765 -9.181 413 H ASN 55 H ASN 55 32.857 12.633 -6.686 414 HA ASN 55 HA ASN 55 34.215 14.986 -5.982 415 HB2 ASN 55 2HB ASN 55 31.540 13.925 -5.051 416 HB3 ASN 55 1HB ASN 55 32.123 15.555 -4.735 417 HD21 ASN 55 1HD2 ASN 55 30.791 13.393 -7.065 418 HD22 ASN 55 2HD2 ASN 55 30.559 14.552 -8.324 419 H LEU 56 H LEU 56 33.322 12.141 -4.074 420 HA LEU 56 HA LEU 56 34.006 13.172 -1.540 421 HB2 LEU 56 2HB LEU 56 33.619 10.450 -2.687 422 HB3 LEU 56 1HB LEU 56 34.400 10.581 -1.123 423 HG LEU 56 HG LEU 56 32.204 12.178 -0.774 424 HD11 LEU 56 1HD1 LEU 56 30.279 10.984 -1.640 425 HD12 LEU 56 2HD1 LEU 56 31.335 9.840 -2.467 426 HD13 LEU 56 3HD1 LEU 56 31.308 11.532 -2.961 427 HD21 LEU 56 3HD2 LEU 56 33.200 9.688 0.161 428 HD22 LEU 56 1HD2 LEU 56 31.459 9.536 -0.070 429 HD23 LEU 56 2HD2 LEU 56 32.103 10.811 0.964 430 HA PRO 57 HA PRO 57 38.377 13.096 -1.245 431 HB2 PRO 57 2HB PRO 57 38.348 11.360 1.114 432 HB3 PRO 57 1HB PRO 57 38.921 13.019 0.947 433 HG2 PRO 57 2HG PRO 57 36.650 12.435 2.253 434 HG3 PRO 57 1HG PRO 57 36.836 13.923 1.308 435 HD2 PRO 57 2HD PRO 57 35.394 11.399 0.608 436 HD3 PRO 57 1HD PRO 57 34.939 13.084 0.288 437 H ALA 58 H ALA 58 37.816 9.984 0.098 438 HA ALA 58 HA ALA 58 38.480 8.393 -2.107 439 HB1 ALA 58 1HB ALA 58 40.789 9.271 -0.419 440 HB2 ALA 58 2HB ALA 58 40.674 9.124 -2.172 441 HB3 ALA 58 3HB ALA 58 40.799 7.677 -1.174 442 H GLY 59 H GLY 59 37.596 6.489 -1.652 443 HA2 GLY 59 2HA GLY 59 36.802 4.678 -0.489 444 HA3 GLY 59 1HA GLY 59 38.196 4.886 0.557 445 H GLN 60 H GLN 60 35.756 7.378 0.202 446 HA GLN 60 HA GLN 60 34.977 6.928 3.001 447 HB2 GLN 60 2HB GLN 60 36.028 9.141 2.261 448 HB3 GLN 60 1HB GLN 60 34.523 9.448 1.407 449 HG2 GLN 60 2HG GLN 60 33.896 8.680 4.070 450 HG3 GLN 60 1HG GLN 60 35.144 9.925 4.124 451 HE21 GLN 60 1HE2 GLN 60 31.864 9.322 3.863 452 HE22 GLN 60 2HE2 GLN 60 31.348 10.888 3.351 453 H GLU 61 H GLU 61 32.874 6.583 3.549 454 HA GLU 61 HA GLU 61 31.008 6.179 1.331 455 HB2 GLU 61 2HB GLU 61 31.309 5.040 4.055 456 HB3 GLU 61 1HB GLU 61 29.669 5.189 3.439 457 HG2 GLU 61 2HG GLU 61 30.576 2.992 2.972 458 HG3 GLU 61 1HG GLU 61 30.275 3.876 1.478 459 H ASN 62 H ASN 62 29.707 7.791 0.842 460 HA ASN 62 HA ASN 62 28.769 9.590 2.972 461 HB2 ASN 62 2HB ASN 62 29.766 10.977 1.403 462 HB3 ASN 62 1HB ASN 62 29.301 9.955 0.049 463 HD21 ASN 62 1HD2 ASN 62 27.687 11.810 2.628 464 HD22 ASN 62 2HD2 ASN 62 26.515 12.539 1.589 465 H ILE 63 H ILE 63 26.834 9.038 3.727 466 HA ILE 63 HA ILE 63 24.992 7.518 2.096 467 HB ILE 63 HB ILE 63 24.703 8.498 4.936 468 HG12 ILE 63 2HG1 ILE 63 25.550 5.841 3.766 469 HG13 ILE 63 1HG1 ILE 63 26.508 6.911 4.781 470 HG21 ILE 63 1HG2 ILE 63 22.914 6.681 4.990 471 HG22 ILE 63 2HG2 ILE 63 22.980 6.721 3.227 472 HG23 ILE 63 3HG2 ILE 63 22.518 8.166 4.124 473 HD11 ILE 63 3HD1 ILE 63 25.794 5.089 6.117 474 HD12 ILE 63 1HD1 ILE 63 24.123 5.272 5.583 475 HD13 ILE 63 2HD1 ILE 63 24.859 6.501 6.612 476 H ILE 64 H ILE 64 23.460 8.334 0.898 477 HA ILE 64 HA ILE 64 22.613 11.123 1.279 478 HB ILE 64 HB ILE 64 22.103 9.301 -1.083 479 HG12 ILE 64 2HG1 ILE 64 24.495 9.787 -0.854 480 HG13 ILE 64 1HG1 ILE 64 23.820 10.612 -2.255 481 HG21 ILE 64 1HG2 ILE 64 21.630 11.547 -2.199 482 HG22 ILE 64 2HG2 ILE 64 21.521 12.199 -0.564 483 HG23 ILE 64 3HG2 ILE 64 20.416 10.925 -1.082 484 HD11 ILE 64 3HD1 ILE 64 23.583 12.622 -0.638 485 HD12 ILE 64 1HD1 ILE 64 25.163 12.226 -1.316 486 HD13 ILE 64 2HD1 ILE 64 24.768 11.748 0.334 487 H THR 65 H THR 65 21.426 7.819 0.967 488 HA THR 65 HA THR 65 18.916 8.623 2.254 489 HB THR 65 HB THR 65 18.760 6.481 0.189 490 HG1 THR 65 1HG THR 65 18.629 7.909 -1.482 491 HG21 THR 65 3HG2 THR 65 16.884 7.642 1.712 492 HG22 THR 65 1HG2 THR 65 16.567 6.935 0.129 493 HG23 THR 65 2HG2 THR 65 16.805 8.674 0.285 494 H ALA 66 H ALA 66 19.361 7.726 4.200 495 HA ALA 66 HA ALA 66 20.815 5.456 4.772 496 HB1 ALA 66 1HB ALA 66 18.469 6.549 6.319 497 HB2 ALA 66 2HB ALA 66 20.150 7.060 6.470 498 HB3 ALA 66 3HB ALA 66 19.679 5.426 6.940 499 H GLY 67 H GLY 67 20.553 3.450 4.093 500 HA2 GLY 67 2HA GLY 67 18.237 2.355 2.971 501 HA3 GLY 67 1HA GLY 67 19.605 1.422 3.560 502 H VAL 68 H VAL 68 16.343 2.142 4.014 503 HA VAL 68 HA VAL 68 16.353 0.697 6.572 504 HB VAL 68 HB VAL 68 14.670 3.146 5.994 505 HG11 VAL 68 1HG1 VAL 68 14.710 1.228 8.309 506 HG12 VAL 68 2HG1 VAL 68 13.342 1.717 7.309 507 HG13 VAL 68 3HG1 VAL 68 14.058 2.862 8.443 508 HG21 VAL 68 3HG2 VAL 68 16.014 3.790 8.215 509 HG22 VAL 68 1HG2 VAL 68 16.618 4.143 6.596 510 HG23 VAL 68 2HG2 VAL 68 17.205 2.726 7.467 511 H LYS 69 H LYS 69 14.641 -0.662 6.933 512 HA LYS 69 HA LYS 69 13.357 -1.742 4.652 513 HB2 LYS 69 2HB LYS 69 12.668 -2.225 7.557 514 HB3 LYS 69 1HB LYS 69 12.268 -3.261 6.197 515 HG2 LYS 69 2HG LYS 69 15.123 -2.748 6.413 516 HG3 LYS 69 1HG LYS 69 14.447 -3.517 7.850 517 HD2 LYS 69 2HD LYS 69 14.107 -5.465 6.788 518 HD3 LYS 69 1HD LYS 69 13.498 -4.671 5.335 519 HE2 LYS 69 2HE LYS 69 15.499 -4.729 4.317 520 HE3 LYS 69 1HE LYS 69 16.369 -4.306 5.791 521 HZ1 LYS 69 3HZ LYS 69 15.267 -7.010 5.261 522 HZ2 LYS 69 1HZ LYS 69 16.322 -6.555 6.503 523 HZ3 LYS 69 2HZ LYS 69 16.857 -6.561 4.899 524 H GLY 70 H GLY 70 11.674 -0.916 3.615 525 HA2 GLY 70 2HA GLY 70 9.949 1.043 4.859 526 HA3 GLY 70 1HA GLY 70 9.879 0.494 3.191 527 H GLU 71 H GLU 71 7.486 0.654 3.843 528 HA GLU 71 HA GLU 71 6.562 -2.033 4.294 529 HB2 GLU 71 2HB GLU 71 6.275 0.080 6.384 530 HB3 GLU 71 1HB GLU 71 4.905 -0.981 6.100 531 HG2 GLU 71 2HG GLU 71 5.830 -2.499 7.405 532 HG3 GLU 71 1HG GLU 71 7.183 -2.628 6.282 533 H ARG 72 H ARG 72 5.290 -2.146 2.580 534 HA ARG 72 HA ARG 72 3.669 0.172 1.844 535 HB2 ARG 72 2HB ARG 72 5.099 -0.990 0.127 536 HB3 ARG 72 1HB ARG 72 4.045 -2.387 0.297 537 HG2 ARG 72 2HG ARG 72 2.200 -1.215 -0.573 538 HG3 ARG 72 1HG ARG 72 3.055 0.321 -0.464 539 HD2 ARG 72 2HD ARG 72 3.841 -1.974 -2.252 540 HD3 ARG 72 1HD ARG 72 2.947 -0.548 -2.773 541 HE ARG 72 HE ARG 72 5.285 0.352 -1.578 542 HH11 ARG 72 1HH1 ARG 72 4.385 -1.564 -4.369 543 HH12 ARG 72 2HH1 ARG 72 5.774 -1.096 -5.289 544 HH21 ARG 72 1HH2 ARG 72 7.112 0.966 -2.801 545 HH22 ARG 72 2HH2 ARG 72 7.320 0.340 -4.402 546 H THR 73 H THR 73 1.577 0.234 2.326 547 HA THR 73 HA THR 73 0.363 -2.014 3.642 548 HB THR 73 HB THR 73 -0.896 0.562 2.689 549 HG1 THR 73 1HG THR 73 -0.152 1.401 4.454 550 HG21 THR 73 3HG2 THR 73 -2.113 -0.823 4.925 551 HG22 THR 73 1HG2 THR 73 -2.180 -1.712 3.400 552 HG23 THR 73 2HG2 THR 73 -2.846 -0.077 3.502 553 H HIS 74 H HIS 74 -0.683 -3.615 2.669 554 HA HIS 74 HA HIS 74 -1.259 -3.252 -0.160 555 HB2 HIS 74 2HB HIS 74 -0.249 -5.515 1.438 556 HB3 HIS 74 1HB HIS 74 -1.272 -5.905 0.039 557 HD1 HIS 74 1HD HIS 74 1.788 -4.005 1.009 558 HD2 HIS 74 2HD HIS 74 -0.091 -5.470 -2.385 559 HE1 HIS 74 1HE HIS 74 3.373 -3.535 -0.909 560 HE2 HIS 74 2HE HIS 74 2.011 -4.093 -2.952 561 H TYR 75 H TYR 75 -3.141 -2.898 -0.749 562 HA TYR 75 HA TYR 75 -5.414 -3.407 0.931 563 HB2 TYR 75 2HB TYR 75 -5.759 -2.426 -1.872 564 HB3 TYR 75 1HB TYR 75 -6.553 -1.898 -0.392 565 HD1 TYR 75 1HD TYR 75 -3.702 -1.587 1.043 566 HD2 TYR 75 2HD TYR 75 -5.397 -0.068 -2.554 567 HE1 TYR 75 1HE TYR 75 -2.153 0.305 1.125 568 HE2 TYR 75 2HE TYR 75 -3.870 1.862 -2.444 569 HH TYR 75 HH TYR 75 -2.490 2.981 -0.077 570 H ILE 76 H ILE 76 -5.619 -5.493 1.108 571 HA ILE 76 HA ILE 76 -5.714 -7.304 -1.134 572 HB ILE 76 HB ILE 76 -5.858 -7.564 1.862 573 HG12 ILE 76 2HG1 ILE 76 -3.870 -8.673 -0.136 574 HG13 ILE 76 1HG1 ILE 76 -3.679 -7.131 0.686 575 HG21 ILE 76 1HG2 ILE 76 -7.311 -9.294 1.152 576 HG22 ILE 76 2HG2 ILE 76 -5.750 -10.061 1.443 577 HG23 ILE 76 3HG2 ILE 76 -6.269 -9.719 -0.206 578 HD11 ILE 76 3HD1 ILE 76 -3.808 -8.408 2.853 579 HD12 ILE 76 1HD1 ILE 76 -2.373 -8.684 1.866 580 HD13 ILE 76 2HD1 ILE 76 -3.670 -9.878 1.887 581 H SER 77 H SER 77 -7.483 -8.743 -1.555 582 HA SER 77 HA SER 77 -10.101 -7.578 -0.883 583 HB2 SER 77 2HB SER 77 -9.565 -7.731 -3.298 584 HB3 SER 77 1HB SER 77 -9.389 -9.478 -3.134 585 HG SER 77 HG SER 77 -11.449 -9.178 -3.794 586 H VAL 78 H VAL 78 -11.312 -8.621 0.560 587 HA VAL 78 HA VAL 78 -10.557 -11.264 1.450 588 HB VAL 78 HB VAL 78 -12.566 -10.997 3.001 589 HG11 VAL 78 1HG1 VAL 78 -10.223 -9.116 3.082 590 HG12 VAL 78 2HG1 VAL 78 -10.390 -10.687 3.868 591 HG13 VAL 78 3HG1 VAL 78 -11.351 -9.316 4.423 592 HG21 VAL 78 3HG2 VAL 78 -13.230 -8.917 1.334 593 HG22 VAL 78 1HG2 VAL 78 -12.521 -8.093 2.723 594 HG23 VAL 78 2HG2 VAL 78 -13.882 -9.190 2.949 595 H LEU 79 H LEU 79 -11.037 -12.791 -0.035 596 HA LEU 79 HA LEU 79 -13.787 -12.924 -1.059 597 HB2 LEU 79 2HB LEU 79 -11.352 -14.449 -1.988 598 HB3 LEU 79 1HB LEU 79 -12.930 -14.444 -2.752 599 HG LEU 79 HG LEU 79 -11.230 -11.969 -2.487 600 HD11 LEU 79 1HD1 LEU 79 -10.017 -13.638 -3.785 601 HD12 LEU 79 2HD1 LEU 79 -10.581 -12.319 -4.811 602 HD13 LEU 79 3HD1 LEU 79 -11.426 -13.866 -4.820 603 HD21 LEU 79 3HD2 LEU 79 -12.683 -11.189 -4.343 604 HD22 LEU 79 1HD2 LEU 79 -13.559 -11.489 -2.842 605 HD23 LEU 79 2HD2 LEU 79 -13.642 -12.657 -4.162 606 H THR 80 H THR 80 -15.046 -14.051 0.292 607 HA THR 80 HA THR 80 -14.051 -16.123 1.988 608 HB THR 80 HB THR 80 -16.569 -16.496 2.402 609 HG1 THR 80 1HG THR 80 -17.619 -15.563 0.788 610 HG21 THR 80 3HG2 THR 80 -15.449 -13.757 2.937 611 HG22 THR 80 1HG2 THR 80 -15.195 -15.191 3.933 612 HG23 THR 80 2HG2 THR 80 -16.814 -14.511 3.763 613 H GLU 81 H GLU 81 -13.187 -17.773 0.788 614 HA GLU 81 HA GLU 81 -14.814 -19.076 -1.248 615 HB2 GLU 81 2HB GLU 81 -11.953 -19.304 -0.370 616 HB3 GLU 81 1HB GLU 81 -12.686 -20.600 -1.306 617 HG2 GLU 81 2HG GLU 81 -12.482 -19.466 -3.198 618 HG3 GLU 81 1HG GLU 81 -13.215 -18.025 -2.496 619 H ASN 82 H ASN 82 -16.453 -20.084 -0.140 620 HA ASN 82 HA ASN 82 -17.524 -21.669 1.082 621 HB2 ASN 82 2HB ASN 82 -14.861 -23.091 0.837 622 HB3 ASN 82 1HB ASN 82 -16.350 -23.840 1.402 623 HD21 ASN 82 1HD2 ASN 82 -14.599 -22.643 -1.332 624 HD22 ASN 82 2HD2 ASN 82 -15.667 -23.253 -2.545 625 H GLY 83 H GLY 83 -16.637 -19.552 2.565 626 HA2 GLY 83 2HA GLY 83 -16.615 -19.038 4.826 627 HA3 GLY 83 1HA GLY 83 -16.427 -20.746 5.185 628 H LYS 84 H LYS 84 -14.421 -18.501 3.264 629 HA LYS 84 HA LYS 84 -12.342 -18.435 5.238 630 HB2 LYS 84 2HB LYS 84 -12.012 -20.695 4.263 631 HB3 LYS 84 1HB LYS 84 -11.802 -19.959 2.682 632 HG2 LYS 84 2HG LYS 84 -10.048 -18.905 4.791 633 HG3 LYS 84 1HG LYS 84 -9.781 -20.594 4.357 634 HD2 LYS 84 2HD LYS 84 -9.567 -19.942 1.999 635 HD3 LYS 84 1HD LYS 84 -9.815 -18.254 2.449 636 HE2 LYS 84 2HE LYS 84 -7.583 -19.954 3.545 637 HE3 LYS 84 1HE LYS 84 -7.419 -18.955 2.102 638 HZ1 LYS 84 3HZ LYS 84 -8.255 -17.087 3.653 639 HZ2 LYS 84 1HZ LYS 84 -6.642 -17.584 3.763 640 HZ3 LYS 84 2HZ LYS 84 -7.771 -18.117 4.903 641 H THR 85 H THR 85 -11.924 -16.321 5.098 642 HA THR 85 HA THR 85 -12.071 -14.870 2.627 643 HB THR 85 HB THR 85 -11.050 -13.007 4.104 644 HG1 THR 85 1HG THR 85 -10.261 -13.938 5.853 645 HG21 THR 85 3HG2 THR 85 -13.664 -14.177 5.017 646 HG22 THR 85 1HG2 THR 85 -13.457 -13.165 3.588 647 HG23 THR 85 2HG2 THR 85 -13.122 -12.508 5.189 648 H THR 86 H THR 86 -10.565 -15.537 1.172 649 HA THR 86 HA THR 86 -7.827 -16.009 1.899 650 HB THR 86 HB THR 86 -9.084 -15.756 -0.843 651 HG1 THR 86 1HG THR 86 -10.016 -17.489 0.076 652 HG21 THR 86 3HG2 THR 86 -7.202 -17.121 -1.613 653 HG22 THR 86 1HG2 THR 86 -6.468 -16.988 -0.015 654 HG23 THR 86 2HG2 THR 86 -6.686 -15.547 -1.007 655 H GLU 87 H GLU 87 -6.532 -14.371 2.423 656 HA GLU 87 HA GLU 87 -6.948 -11.720 1.363 657 HB2 GLU 87 2HB GLU 87 -5.001 -11.099 2.776 658 HB3 GLU 87 1HB GLU 87 -6.276 -11.905 3.675 659 HG2 GLU 87 2HG GLU 87 -4.932 -13.566 4.296 660 HG3 GLU 87 1HG GLU 87 -4.281 -13.764 2.671 661 H THR 88 H THR 88 -6.510 -11.676 -0.788 662 HA THR 88 HA THR 88 -3.842 -12.558 -1.665 663 HB THR 88 HB THR 88 -6.416 -12.164 -3.193 664 HG1 THR 88 1HG THR 88 -4.803 -14.465 -2.810 665 HG21 THR 88 3HG2 THR 88 -3.643 -12.475 -4.210 666 HG22 THR 88 1HG2 THR 88 -4.999 -11.560 -4.870 667 HG23 THR 88 2HG2 THR 88 -4.953 -13.315 -5.040 668 H VAL 89 H VAL 89 -2.380 -11.085 -2.220 669 HA VAL 89 HA VAL 89 -2.783 -8.318 -1.981 670 HB VAL 89 HB VAL 89 -0.556 -9.188 -1.759 671 HG11 VAL 89 1HG1 VAL 89 -1.193 -10.576 -4.236 672 HG12 VAL 89 2HG1 VAL 89 -0.014 -10.970 -2.985 673 HG13 VAL 89 3HG1 VAL 89 0.404 -9.828 -4.261 674 HG21 VAL 89 3HG2 VAL 89 -1.064 -6.917 -3.005 675 HG22 VAL 89 1HG2 VAL 89 -0.259 -7.742 -4.339 676 HG23 VAL 89 2HG2 VAL 89 0.584 -7.512 -2.808 677 H LEU 90 H LEU 90 -3.389 -6.749 -3.401 678 HA LEU 90 HA LEU 90 -3.684 -7.486 -6.227 679 HB2 LEU 90 2HB LEU 90 -5.834 -6.417 -4.419 680 HB3 LEU 90 1HB LEU 90 -5.923 -6.246 -6.163 681 HG LEU 90 HG LEU 90 -5.564 -8.944 -4.889 682 HD11 LEU 90 1HD1 LEU 90 -7.884 -9.267 -4.731 683 HD12 LEU 90 2HD1 LEU 90 -8.235 -7.772 -5.598 684 HD13 LEU 90 3HD1 LEU 90 -7.576 -7.710 -3.962 685 HD21 LEU 90 3HD2 LEU 90 -6.724 -9.639 -6.990 686 HD22 LEU 90 1HD2 LEU 90 -5.145 -8.894 -7.238 687 HD23 LEU 90 2HD2 LEU 90 -6.615 -7.966 -7.537 688 H ASP 91 H ASP 91 -4.899 -4.585 -4.581 689 HA ASP 91 HA ASP 91 -2.973 -3.004 -6.162 690 HB2 ASP 91 2HB ASP 91 -5.657 -2.900 -6.439 691 HB3 ASP 91 1HB ASP 91 -5.444 -1.691 -5.173 692 H SER 92 H SER 92 -1.516 -1.915 -5.040 693 HA SER 92 HA SER 92 -2.220 -0.736 -2.463 694 HB2 SER 92 2HB SER 92 -0.741 -1.801 -1.173 695 HB3 SER 92 1HB SER 92 -1.034 -3.112 -2.322 696 HG SER 92 HG SER 92 1.160 -1.344 -2.179 697 H GLN 93 H GLN 93 -0.975 0.980 -1.850 698 HA GLN 93 HA GLN 93 0.817 2.066 -3.910 699 HB2 GLN 93 2HB GLN 93 -1.140 3.342 -2.041 700 HB3 GLN 93 1HB GLN 93 0.319 4.238 -2.443 701 HG2 GLN 93 2HG GLN 93 -1.786 3.235 -4.340 702 HG3 GLN 93 1HG GLN 93 -1.443 4.908 -3.908 703 HE21 GLN 93 1HE2 GLN 93 -0.633 2.275 -5.940 704 HE22 GLN 93 2HE2 GLN 93 0.618 3.058 -6.838 705 H VAL 94 H VAL 94 2.665 3.386 -2.893 706 HA VAL 94 HA VAL 94 3.833 1.715 -0.849 707 HB VAL 94 HB VAL 94 5.204 2.504 -2.731 708 HG11 VAL 94 1HG1 VAL 94 4.013 4.844 -2.626 709 HG12 VAL 94 2HG1 VAL 94 5.666 4.691 -3.219 710 HG13 VAL 94 3HG1 VAL 94 5.369 5.239 -1.570 711 HG21 VAL 94 3HG2 VAL 94 6.415 3.813 -0.348 712 HG22 VAL 94 1HG2 VAL 94 7.128 2.697 -1.512 713 HG23 VAL 94 2HG2 VAL 94 6.031 2.093 -0.271 714 H THR 95 H THR 95 3.374 2.006 1.238 715 HA THR 95 HA THR 95 3.021 4.785 2.165 716 HB THR 95 HB THR 95 1.455 3.961 3.826 717 HG1 THR 95 1HG THR 95 1.979 2.000 4.446 718 HG21 THR 95 3HG2 THR 95 -0.142 4.108 2.297 719 HG22 THR 95 1HG2 THR 95 0.057 2.380 1.973 720 HG23 THR 95 2HG2 THR 95 0.952 3.576 1.023 721 H LYS 96 H LYS 96 5.368 4.610 2.269 722 HA LYS 96 HA LYS 96 6.557 4.958 4.568 723 HB2 LYS 96 2HB LYS 96 5.995 2.084 4.400 724 HB3 LYS 96 1HB LYS 96 7.683 2.441 4.705 725 HG2 LYS 96 2HG LYS 96 5.783 3.949 6.357 726 HG3 LYS 96 1HG LYS 96 5.794 2.205 6.622 727 HD2 LYS 96 2HD LYS 96 8.235 3.980 6.676 728 HD3 LYS 96 1HD LYS 96 7.364 3.415 8.102 729 HE2 LYS 96 2HE LYS 96 7.805 1.072 6.819 730 HE3 LYS 96 1HE LYS 96 9.228 1.987 6.325 731 HZ1 LYS 96 3HZ LYS 96 9.677 0.769 8.336 732 HZ2 LYS 96 1HZ LYS 96 8.354 1.478 9.118 733 HZ3 LYS 96 2HZ LYS 96 9.685 2.425 8.677 734 H GLU 97 H GLU 97 6.910 2.859 1.759 735 HA GLU 97 HA GLU 97 8.425 2.725 0.097 736 HB2 GLU 97 2HB GLU 97 8.063 5.191 -0.001 737 HB3 GLU 97 1HB GLU 97 9.438 5.399 1.076 738 HG2 GLU 97 2HG GLU 97 9.962 5.773 -1.312 739 HG3 GLU 97 1HG GLU 97 10.939 4.515 -0.558 740 H VAL 98 H VAL 98 9.938 1.227 0.226 741 HA VAL 98 HA VAL 98 11.694 1.029 2.466 742 HB VAL 98 HB VAL 98 10.948 -0.985 1.279 743 HG11 VAL 98 1HG1 VAL 98 12.787 -0.934 -0.923 744 HG12 VAL 98 2HG1 VAL 98 11.659 0.421 -1.038 745 HG13 VAL 98 3HG1 VAL 98 11.047 -1.229 -0.925 746 HG21 VAL 98 3HG2 VAL 98 13.887 -0.916 0.852 747 HG22 VAL 98 1HG2 VAL 98 12.882 -2.147 1.611 748 HG23 VAL 98 2HG2 VAL 98 13.251 -0.657 2.475 749 H ILE 99 H ILE 99 13.134 2.581 2.734 750 HA ILE 99 HA ILE 99 14.421 3.934 0.578 751 HB ILE 99 HB ILE 99 15.102 3.924 3.523 752 HG12 ILE 99 2HG1 ILE 99 14.142 6.401 2.950 753 HG13 ILE 99 1HG1 ILE 99 13.197 5.425 1.831 754 HG21 ILE 99 1HG2 ILE 99 17.071 4.571 2.391 755 HG22 ILE 99 2HG2 ILE 99 16.301 6.070 2.914 756 HG23 ILE 99 3HG2 ILE 99 16.172 5.550 1.234 757 HD11 ILE 99 3HD1 ILE 99 13.039 5.641 4.734 758 HD12 ILE 99 1HD1 ILE 99 12.975 3.989 4.121 759 HD13 ILE 99 2HD1 ILE 99 11.809 5.185 3.553 760 H ASN 100 H ASN 100 16.021 3.217 -0.608 761 HA ASN 100 HA ASN 100 17.572 0.911 0.200 762 HB2 ASN 100 2HB ASN 100 17.306 2.517 -2.316 763 HB3 ASN 100 1HB ASN 100 18.717 1.486 -2.102 764 HD21 ASN 100 1HD2 ASN 100 18.503 -0.427 -3.001 765 HD22 ASN 100 2HD2 ASN 100 17.035 -1.324 -3.157 766 H GLN 101 H GLN 101 19.615 0.913 0.957 767 HA GLN 101 HA GLN 101 20.740 3.232 2.044 768 HB2 GLN 101 2HB GLN 101 21.249 0.505 2.178 769 HB3 GLN 101 1HB GLN 101 22.710 1.164 1.465 770 HG2 GLN 101 2HG GLN 101 21.482 1.905 4.104 771 HG3 GLN 101 1HG GLN 101 22.986 1.036 3.830 772 HE21 GLN 101 1HE2 GLN 101 24.785 2.185 3.921 773 HE22 GLN 101 2HE2 GLN 101 24.906 3.897 3.729 774 H VAL 102 H VAL 102 21.122 4.906 0.666 775 HA VAL 102 HA VAL 102 22.649 4.437 -1.774 776 HB VAL 102 HB VAL 102 21.368 6.950 -0.678 777 HG11 VAL 102 1HG1 VAL 102 21.882 7.825 -3.026 778 HG12 VAL 102 2HG1 VAL 102 23.060 6.517 -3.119 779 HG13 VAL 102 3HG1 VAL 102 23.215 7.755 -1.874 780 HG21 VAL 102 3HG2 VAL 102 20.609 4.944 -2.759 781 HG22 VAL 102 1HG2 VAL 102 20.062 6.615 -2.903 782 HG23 VAL 102 2HG2 VAL 102 19.627 5.664 -1.483 783 H VAL 103 H VAL 103 24.730 4.043 -1.238 784 HA VAL 103 HA VAL 103 26.089 6.034 0.454 785 HB VAL 103 HB VAL 103 27.545 3.528 -0.000 786 HG11 VAL 103 1HG1 VAL 103 28.250 5.298 1.549 787 HG12 VAL 103 2HG1 VAL 103 28.015 3.751 2.366 788 HG13 VAL 103 3HG1 VAL 103 26.797 5.018 2.510 789 HG21 VAL 103 3HG2 VAL 103 26.157 2.346 1.787 790 HG22 VAL 103 1HG2 VAL 103 25.494 2.395 0.154 791 HG23 VAL 103 2HG2 VAL 103 24.880 3.494 1.388 792 H GLU 104 H GLU 104 27.556 7.274 -0.472 793 HA GLU 104 HA GLU 104 28.442 6.644 -3.187 794 HB2 GLU 104 2HB GLU 104 28.846 9.208 -1.632 795 HB3 GLU 104 1HB GLU 104 29.090 8.966 -3.355 796 HG2 GLU 104 2HG GLU 104 26.484 8.980 -1.857 797 HG3 GLU 104 1HG GLU 104 27.049 10.145 -3.052 798 H VAL 105 H VAL 105 30.255 5.478 -3.289 799 HA VAL 105 HA VAL 105 32.248 5.614 -1.188 800 HB VAL 105 HB VAL 105 32.373 4.008 -3.743 801 HG11 VAL 105 1HG1 VAL 105 33.740 2.542 -2.027 802 HG12 VAL 105 2HG1 VAL 105 33.965 4.099 -1.230 803 HG13 VAL 105 3HG1 VAL 105 34.494 3.879 -2.897 804 HG21 VAL 105 3HG2 VAL 105 31.056 3.402 -1.114 805 HG22 VAL 105 1HG2 VAL 105 31.616 2.121 -2.188 806 HG23 VAL 105 2HG2 VAL 105 30.392 3.263 -2.742 807 H GLY 106 H GLY 106 33.781 7.115 -1.208 808 HA2 GLY 106 2HA GLY 106 34.359 8.794 -3.383 809 HA3 GLY 106 1HA GLY 106 35.346 8.620 -1.944 810 H ALA 107 H ALA 107 35.703 8.667 -5.067 811 HA ALA 107 HA ALA 107 37.221 6.209 -5.436 812 HB1 ALA 107 1HB ALA 107 37.502 6.946 -7.734 813 HB2 ALA 107 2HB ALA 107 36.787 8.508 -7.338 814 HB3 ALA 107 3HB ALA 107 35.806 7.045 -7.259 815 HA PRO 108 HA PRO 108 40.863 8.467 -3.991 816 HB2 PRO 108 2HB PRO 108 42.215 5.883 -4.131 817 HB3 PRO 108 1HB PRO 108 41.844 6.866 -2.715 818 HG2 PRO 108 2HG PRO 108 40.621 4.502 -3.217 819 HG3 PRO 108 1HG PRO 108 39.822 5.836 -2.366 820 HD2 PRO 108 2HD PRO 108 39.573 5.001 -5.235 821 HD3 PRO 108 1HD PRO 108 38.305 5.497 -4.094 822 H VAL 109 H VAL 109 40.704 9.321 -6.300 823 HA VAL 109 HA VAL 109 41.572 9.765 -8.342 824 HB VAL 109 HB VAL 109 43.501 10.245 -6.741 825 HG11 VAL 109 1HG1 VAL 109 45.541 8.741 -7.486 826 HG12 VAL 109 2HG1 VAL 109 44.270 7.534 -7.681 827 HG13 VAL 109 3HG1 VAL 109 44.518 8.305 -6.116 828 HG21 VAL 109 3HG2 VAL 109 44.810 11.039 -8.472 829 HG22 VAL 109 1HG2 VAL 109 43.236 10.849 -9.243 830 HG23 VAL 109 2HG2 VAL 109 44.493 9.639 -9.494 831 H THR 110 H THR 110 40.576 6.974 -7.870 832 HA THR 110 HA THR 110 40.974 5.904 -10.389 833 HB THR 110 HB THR 110 43.283 5.468 -9.794 834 HG1 THR 110 1HG THR 110 42.488 3.839 -11.016 835 HG21 THR 110 3HG2 THR 110 42.253 4.819 -7.219 836 HG22 THR 110 1HG2 THR 110 43.928 4.994 -7.739 837 HG23 THR 110 2HG2 THR 110 43.125 3.429 -7.865 838 H HIS 111 H HIS 111 39.217 4.715 -10.697 839 HA HIS 111 HA HIS 111 37.457 3.321 -10.378 840 HB2 HIS 111 2HB HIS 111 38.762 2.309 -7.852 841 HB3 HIS 111 1HB HIS 111 37.643 1.462 -8.913 842 HD1 HIS 111 1HD HIS 111 38.951 1.703 -11.609 843 HD2 HIS 111 2HD HIS 111 41.106 0.998 -8.126 844 HE1 HIS 111 1HE HIS 111 41.104 0.640 -12.353 845 HE2 HIS 111 2HE HIS 111 42.428 0.305 -10.236 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -55.570 -15.797 1.468 2 H2 MET 1 2HT MET 1 -55.573 -16.627 2.970 3 H3 MET 1 3HT MET 1 -54.927 -17.384 1.570 4 HA MET 1 HA MET 1 -53.263 -15.609 1.463 5 HB2 MET 1 2HB MET 1 -54.918 -14.315 3.154 6 HB3 MET 1 1HB MET 1 -53.799 -15.009 4.319 7 HG2 MET 1 2HG MET 1 -52.101 -13.669 3.695 8 HG3 MET 1 1HG MET 1 -52.574 -13.677 1.997 9 HE1 MET 1 2HE MET 1 -53.166 -11.323 5.453 10 HE2 MET 1 3HE MET 1 -53.915 -12.916 5.368 11 HE3 MET 1 1HE MET 1 -54.903 -11.467 5.186 12 H GLY 2 H GLY 2 -54.314 -17.413 4.350 13 HA2 GLY 2 2HA GLY 2 -52.330 -19.388 4.117 14 HA3 GLY 2 1HA GLY 2 -51.756 -18.158 5.232 15 H SER 3 H SER 3 -54.818 -19.887 4.626 16 HA SER 3 HA SER 3 -54.791 -21.086 7.223 17 HB2 SER 3 2HB SER 3 -56.671 -18.784 6.681 18 HB3 SER 3 1HB SER 3 -56.947 -19.969 7.955 19 HG SER 3 HG SER 3 -54.979 -19.341 8.889 20 H SER 4 H SER 4 -55.004 -21.991 4.531 21 HA SER 4 HA SER 4 -57.657 -23.256 4.655 22 HB2 SER 4 2HB SER 4 -56.297 -22.579 2.049 23 HB3 SER 4 1HB SER 4 -57.973 -23.062 2.313 24 HG SER 4 HG SER 4 -58.105 -20.911 2.109 25 H HIS 5 H HIS 5 -54.374 -23.465 3.314 26 HA HIS 5 HA HIS 5 -54.647 -26.382 3.176 27 HB2 HIS 5 2HB HIS 5 -53.642 -24.687 1.328 28 HB3 HIS 5 1HB HIS 5 -52.168 -25.086 2.203 29 HD1 HIS 5 1HD HIS 5 -53.081 -25.982 -0.782 30 HD2 HIS 5 2HD HIS 5 -52.974 -28.317 2.654 31 HE1 HIS 5 1HE HIS 5 -52.897 -28.356 -1.588 32 HE2 HIS 5 2HE HIS 5 -52.743 -29.745 0.509 33 H HIS 6 H HIS 6 -54.157 -27.319 5.060 34 HA HIS 6 HA HIS 6 -51.791 -26.356 6.524 35 HB2 HIS 6 2HB HIS 6 -54.006 -28.078 7.638 36 HB3 HIS 6 1HB HIS 6 -52.755 -27.221 8.533 37 HD1 HIS 6 1HD HIS 6 -53.142 -24.744 9.028 38 HD2 HIS 6 2HD HIS 6 -56.131 -26.458 6.705 39 HE1 HIS 6 1HE HIS 6 -55.006 -23.056 8.977 40 HE2 HIS 6 2HE HIS 6 -56.838 -24.152 7.638 41 H HIS 7 H HIS 7 -51.746 -28.160 4.228 42 HA HIS 7 HA HIS 7 -50.716 -30.068 3.547 43 HB2 HIS 7 2HB HIS 7 -49.475 -29.488 6.185 44 HB3 HIS 7 1HB HIS 7 -49.202 -31.092 5.510 45 HD1 HIS 7 1HD HIS 7 -49.032 -27.534 4.141 46 HD2 HIS 7 2HD HIS 7 -46.930 -31.118 4.067 47 HE1 HIS 7 1HE HIS 7 -47.001 -27.093 2.726 48 HE2 HIS 7 2HE HIS 7 -45.789 -29.299 2.625 49 H HIS 8 H HIS 8 -52.623 -31.264 3.319 50 HA HIS 8 HA HIS 8 -52.778 -33.586 4.996 51 HB2 HIS 8 2HB HIS 8 -54.166 -31.657 6.103 52 HB3 HIS 8 1HB HIS 8 -55.342 -32.042 4.851 53 HD1 HIS 8 1HD HIS 8 -55.533 -32.531 8.055 54 HD2 HIS 8 2HD HIS 8 -54.926 -35.367 5.080 55 HE1 HIS 8 1HE HIS 8 -56.307 -34.711 9.039 56 HE2 HIS 8 2HE HIS 8 -55.850 -36.427 7.251 57 H HIS 9 H HIS 9 -52.349 -32.893 2.190 58 HA HIS 9 HA HIS 9 -52.897 -33.649 0.117 59 HB2 HIS 9 2HB HIS 9 -54.477 -35.654 1.740 60 HB3 HIS 9 1HB HIS 9 -54.195 -35.780 0.006 61 HD1 HIS 9 1HD HIS 9 -52.120 -35.523 3.188 62 HD2 HIS 9 2HD HIS 9 -51.984 -37.213 -0.605 63 HE1 HIS 9 1HE HIS 9 -50.008 -36.889 3.135 64 HE2 HIS 9 2HE HIS 9 -49.904 -37.832 0.801 65 H SER 10 H SER 10 -54.019 -31.669 -0.312 66 HA SER 10 HA SER 10 -56.907 -31.652 0.010 67 HB2 SER 10 2HB SER 10 -54.834 -29.642 -0.724 68 HB3 SER 10 1HB SER 10 -56.471 -29.382 -1.326 69 HG SER 10 HG SER 10 -57.107 -29.742 0.957 70 H SER 11 H SER 11 -54.954 -30.657 -2.787 71 HA SER 11 HA SER 11 -55.834 -32.641 -4.560 72 HB2 SER 11 2HB SER 11 -58.053 -31.716 -4.319 73 HB3 SER 11 1HB SER 11 -57.453 -30.085 -4.615 74 HG SER 11 HG SER 11 -58.038 -30.579 -6.591 75 H GLY 12 H GLY 12 -55.541 -31.886 -6.925 76 HA2 GLY 12 2HA GLY 12 -54.122 -31.047 -8.520 77 HA3 GLY 12 1HA GLY 12 -54.087 -29.578 -7.558 78 H LEU 13 H LEU 13 -51.865 -29.374 -8.235 79 HA LEU 13 HA LEU 13 -50.073 -30.983 -6.550 80 HB2 LEU 13 2HB LEU 13 -50.088 -31.530 -9.086 81 HB3 LEU 13 1HB LEU 13 -49.221 -30.016 -9.257 82 HG LEU 13 HG LEU 13 -47.668 -31.113 -7.401 83 HD11 LEU 13 1HD1 LEU 13 -48.954 -33.450 -8.794 84 HD12 LEU 13 2HD1 LEU 13 -48.888 -33.128 -7.061 85 HD13 LEU 13 3HD1 LEU 13 -47.416 -33.543 -7.938 86 HD21 LEU 13 3HD2 LEU 13 -47.304 -32.166 -10.164 87 HD22 LEU 13 1HD2 LEU 13 -46.126 -31.447 -9.066 88 HD23 LEU 13 2HD2 LEU 13 -47.293 -30.422 -9.901 89 H VAL 14 H VAL 14 -50.118 -28.095 -8.646 90 HA VAL 14 HA VAL 14 -49.251 -26.422 -6.464 91 HB VAL 14 HB VAL 14 -47.257 -25.559 -7.775 92 HG11 VAL 14 1HG1 VAL 14 -47.335 -27.235 -5.764 93 HG12 VAL 14 2HG1 VAL 14 -45.821 -26.924 -6.612 94 HG13 VAL 14 3HG1 VAL 14 -46.747 -28.383 -6.967 95 HG21 VAL 14 3HG2 VAL 14 -46.248 -26.934 -9.429 96 HG22 VAL 14 1HG2 VAL 14 -47.938 -26.739 -9.891 97 HG23 VAL 14 2HG2 VAL 14 -47.398 -28.240 -9.138 98 HA PRO 15 HA PRO 15 -51.417 -23.382 -8.811 99 HB2 PRO 15 2HB PRO 15 -50.163 -21.096 -8.061 100 HB3 PRO 15 1HB PRO 15 -51.244 -21.993 -6.989 101 HG2 PRO 15 2HG PRO 15 -48.252 -22.003 -7.105 102 HG3 PRO 15 1HG PRO 15 -49.315 -21.954 -5.687 103 HD2 PRO 15 2HD PRO 15 -48.118 -24.230 -6.530 104 HD3 PRO 15 1HD PRO 15 -49.711 -24.224 -5.748 105 H ARG 16 H ARG 16 -50.685 -21.104 -9.997 106 HA ARG 16 HA ARG 16 -48.959 -22.032 -12.158 107 HB2 ARG 16 2HB ARG 16 -49.826 -20.027 -13.364 108 HB3 ARG 16 1HB ARG 16 -51.083 -21.146 -12.854 109 HG2 ARG 16 2HG ARG 16 -50.727 -19.262 -10.774 110 HG3 ARG 16 1HG ARG 16 -50.825 -18.372 -12.294 111 HD2 ARG 16 2HD ARG 16 -53.019 -18.802 -11.117 112 HD3 ARG 16 1HD ARG 16 -52.938 -19.298 -12.808 113 HE ARG 16 HE ARG 16 -52.230 -21.484 -11.217 114 HH11 ARG 16 1HH1 ARG 16 -55.025 -19.517 -11.913 115 HH12 ARG 16 2HH1 ARG 16 -56.156 -20.788 -11.590 116 HH21 ARG 16 1HH2 ARG 16 -53.716 -23.158 -10.792 117 HH22 ARG 16 2HH2 ARG 16 -55.413 -22.855 -10.953 118 H GLY 17 H GLY 17 -49.091 -19.606 -9.643 119 HA2 GLY 17 2HA GLY 17 -46.311 -18.898 -10.278 120 HA3 GLY 17 1HA GLY 17 -47.492 -17.612 -10.092 121 H SER 18 H SER 18 -48.573 -17.419 -8.005 122 HA SER 18 HA SER 18 -48.532 -17.195 -5.743 123 HB2 SER 18 2HB SER 18 -47.282 -19.927 -6.029 124 HB3 SER 18 1HB SER 18 -47.589 -19.193 -4.454 125 HG SER 18 HG SER 18 -49.674 -19.495 -4.707 126 H HIS 19 H HIS 19 -46.436 -15.994 -7.263 127 HA HIS 19 HA HIS 19 -43.882 -16.371 -6.180 128 HB2 HIS 19 2HB HIS 19 -45.246 -14.186 -7.674 129 HB3 HIS 19 1HB HIS 19 -43.736 -13.793 -6.857 130 HD1 HIS 19 1HD HIS 19 -42.144 -16.355 -7.410 131 HD2 HIS 19 2HD HIS 19 -44.434 -14.384 -10.262 132 HE1 HIS 19 1HE HIS 19 -41.187 -17.042 -9.631 133 HE2 HIS 19 2HE HIS 19 -42.645 -15.904 -11.345 134 H MET 20 H MET 20 -42.842 -14.204 -5.114 135 HA MET 20 HA MET 20 -44.235 -13.965 -2.549 136 HB2 MET 20 2HB MET 20 -41.918 -14.766 -2.487 137 HB3 MET 20 1HB MET 20 -41.382 -13.303 -3.298 138 HG2 MET 20 2HG MET 20 -41.633 -12.006 -1.436 139 HG3 MET 20 1HG MET 20 -42.888 -13.037 -0.752 140 HE1 MET 20 3HE MET 20 -41.096 -15.919 0.856 141 HE2 MET 20 1HE MET 20 -42.499 -15.396 -0.077 142 HE3 MET 20 2HE MET 20 -42.147 -14.647 1.480 143 H SER 21 H SER 21 -42.089 -11.775 -4.364 144 HA SER 21 HA SER 21 -43.988 -9.768 -4.826 145 HB2 SER 21 2HB SER 21 -42.650 -9.704 -2.176 146 HB3 SER 21 1HB SER 21 -42.761 -8.172 -3.043 147 HG SER 21 HG SER 21 -45.073 -8.760 -3.290 148 H LEU 22 H LEU 22 -42.659 -7.490 -4.919 149 HA LEU 22 HA LEU 22 -41.110 -6.309 -6.090 150 HB2 LEU 22 2HB LEU 22 -39.254 -8.589 -5.412 151 HB3 LEU 22 1HB LEU 22 -38.785 -6.973 -5.902 152 HG LEU 22 HG LEU 22 -40.438 -7.310 -3.438 153 HD11 LEU 22 1HD1 LEU 22 -38.800 -8.885 -2.917 154 HD12 LEU 22 2HD1 LEU 22 -38.191 -7.388 -2.209 155 HD13 LEU 22 3HD1 LEU 22 -37.530 -7.974 -3.736 156 HD21 LEU 22 3HD2 LEU 22 -38.198 -5.409 -4.103 157 HD22 LEU 22 1HD2 LEU 22 -39.344 -5.296 -2.767 158 HD23 LEU 22 2HD2 LEU 22 -39.902 -5.080 -4.427 159 H ASP 23 H ASP 23 -39.718 -6.332 -8.054 160 HA ASP 23 HA ASP 23 -39.535 -8.552 -9.760 161 HB2 ASP 23 2HB ASP 23 -41.240 -7.762 -11.479 162 HB3 ASP 23 1HB ASP 23 -41.890 -8.532 -10.035 163 H GLU 24 H GLU 24 -38.149 -8.120 -11.391 164 HA GLU 24 HA GLU 24 -36.730 -5.705 -11.429 165 HB2 GLU 24 2HB GLU 24 -36.824 -8.133 -13.146 166 HB3 GLU 24 1HB GLU 24 -36.051 -6.700 -13.811 167 HG2 GLU 24 2HG GLU 24 -34.573 -6.620 -11.840 168 HG3 GLU 24 1HG GLU 24 -35.312 -8.111 -11.257 169 H ASN 25 H ASN 25 -36.995 -3.835 -12.484 170 HA ASN 25 HA ASN 25 -39.082 -3.704 -14.561 171 HB2 ASN 25 2HB ASN 25 -38.583 -1.949 -12.196 172 HB3 ASN 25 1HB ASN 25 -39.205 -1.213 -13.669 173 HD21 ASN 25 1HD2 ASN 25 -39.807 -3.707 -11.266 174 HD22 ASN 25 2HD2 ASN 25 -41.522 -3.744 -11.468 175 H GLU 26 H GLU 26 -36.278 -4.146 -14.978 176 HA GLU 26 HA GLU 26 -34.584 -3.443 -16.320 177 HB2 GLU 26 2HB GLU 26 -36.529 -1.342 -17.284 178 HB3 GLU 26 1HB GLU 26 -35.111 -1.940 -18.135 179 HG2 GLU 26 2HG GLU 26 -36.118 -4.065 -18.484 180 HG3 GLU 26 1HG GLU 26 -37.458 -3.670 -17.407 181 H VAL 27 H VAL 27 -33.532 -1.143 -17.117 182 HA VAL 27 HA VAL 27 -32.326 0.675 -16.468 183 HB VAL 27 HB VAL 27 -34.407 1.080 -14.320 184 HG11 VAL 27 1HG1 VAL 27 -32.256 2.759 -15.524 185 HG12 VAL 27 2HG1 VAL 27 -32.740 2.586 -13.836 186 HG13 VAL 27 3HG1 VAL 27 -33.732 3.532 -14.947 187 HG21 VAL 27 3HG2 VAL 27 -35.828 1.154 -16.076 188 HG22 VAL 27 1HG2 VAL 27 -34.539 1.446 -17.245 189 HG23 VAL 27 2HG2 VAL 27 -35.157 2.775 -16.265 190 H ALA 28 H ALA 28 -30.898 1.476 -14.778 191 HA ALA 28 HA ALA 28 -29.370 1.174 -13.118 192 HB1 ALA 28 1HB ALA 28 -30.169 0.678 -11.027 193 HB2 ALA 28 2HB ALA 28 -31.224 -0.607 -11.613 194 HB3 ALA 28 3HB ALA 28 -31.669 1.081 -11.858 195 H ALA 29 H ALA 29 -27.891 -0.371 -12.187 196 HA ALA 29 HA ALA 29 -28.136 -3.162 -12.745 197 HB1 ALA 29 1HB ALA 29 -26.601 -1.427 -14.607 198 HB2 ALA 29 2HB ALA 29 -27.540 -2.886 -14.931 199 HB3 ALA 29 3HB ALA 29 -25.937 -3.012 -14.205 200 H ASN 30 H ASN 30 -25.883 -0.496 -12.113 201 HA ASN 30 HA ASN 30 -24.200 -0.242 -10.606 202 HB2 ASN 30 2HB ASN 30 -26.240 -1.285 -9.188 203 HB3 ASN 30 1HB ASN 30 -25.045 -2.558 -8.955 204 HD21 ASN 30 1HD2 ASN 30 -24.566 -2.217 -6.859 205 HD22 ASN 30 2HD2 ASN 30 -23.851 -0.768 -6.245 206 H VAL 31 H VAL 31 -22.208 -1.199 -9.812 207 HA VAL 31 HA VAL 31 -21.481 -3.621 -11.326 208 HB VAL 31 HB VAL 31 -19.110 -2.738 -11.109 209 HG11 VAL 31 1HG1 VAL 31 -21.270 -1.654 -12.815 210 HG12 VAL 31 2HG1 VAL 31 -19.803 -2.525 -13.258 211 HG13 VAL 31 3HG1 VAL 31 -19.723 -0.811 -12.853 212 HG21 VAL 31 3HG2 VAL 31 -20.286 -0.028 -10.743 213 HG22 VAL 31 1HG2 VAL 31 -18.662 -0.611 -10.384 214 HG23 VAL 31 2HG2 VAL 31 -20.004 -1.028 -9.318 215 H GLU 32 H GLU 32 -19.310 -4.548 -10.282 216 HA GLU 32 HA GLU 32 -20.085 -5.396 -7.629 217 HB2 GLU 32 2HB GLU 32 -19.184 -6.935 -9.430 218 HB3 GLU 32 1HB GLU 32 -17.610 -6.198 -9.156 219 HG2 GLU 32 2HG GLU 32 -17.537 -8.117 -7.870 220 HG3 GLU 32 1HG GLU 32 -17.951 -6.863 -6.703 221 H THR 33 H THR 33 -17.097 -4.064 -9.055 222 HA THR 33 HA THR 33 -15.396 -2.846 -8.163 223 HB THR 33 HB THR 33 -15.982 -0.968 -6.855 224 HG1 THR 33 1HG THR 33 -17.673 -0.919 -5.473 225 HG21 THR 33 3HG2 THR 33 -17.352 -0.030 -8.313 226 HG22 THR 33 1HG2 THR 33 -18.694 -1.054 -7.804 227 HG23 THR 33 2HG2 THR 33 -17.571 -1.622 -9.041 228 H ARG 34 H ARG 34 -15.696 -5.477 -7.163 229 HA ARG 34 HA ARG 34 -14.851 -6.842 -5.553 230 HB2 ARG 34 2HB ARG 34 -13.577 -4.289 -4.546 231 HB3 ARG 34 1HB ARG 34 -13.147 -5.913 -4.024 232 HG2 ARG 34 2HG ARG 34 -12.956 -5.012 -6.885 233 HG3 ARG 34 1HG ARG 34 -11.630 -4.858 -5.730 234 HD2 ARG 34 2HD ARG 34 -11.188 -7.071 -5.744 235 HD3 ARG 34 1HD ARG 34 -12.888 -7.516 -5.874 236 HE ARG 34 HE ARG 34 -12.090 -6.387 -8.303 237 HH11 ARG 34 1HH1 ARG 34 -11.459 -9.231 -6.380 238 HH12 ARG 34 2HH1 ARG 34 -11.084 -10.226 -7.747 239 HH21 ARG 34 1HH2 ARG 34 -11.597 -7.696 -10.102 240 HH22 ARG 34 2HH2 ARG 34 -11.161 -9.354 -9.859 241 HA PRO 35 HA PRO 35 -17.734 -6.635 -2.219 242 HB2 PRO 35 2HB PRO 35 -16.625 -8.388 -0.472 243 HB3 PRO 35 1HB PRO 35 -17.418 -8.898 -1.967 244 HG2 PRO 35 2HG PRO 35 -14.499 -8.558 -1.392 245 HG3 PRO 35 1HG PRO 35 -15.323 -9.861 -2.270 246 HD2 PRO 35 2HD PRO 35 -14.038 -7.832 -3.528 247 HD3 PRO 35 1HD PRO 35 -15.471 -8.628 -4.211 248 H GLU 36 H GLU 36 -14.326 -6.578 -1.169 249 HA GLU 36 HA GLU 36 -14.625 -4.123 0.222 250 HB2 GLU 36 2HB GLU 36 -15.715 -6.047 1.694 251 HB3 GLU 36 1HB GLU 36 -14.037 -6.334 2.136 252 HG2 GLU 36 2HG GLU 36 -13.946 -3.835 2.672 253 HG3 GLU 36 1HG GLU 36 -15.707 -3.891 2.600 254 H LEU 37 H LEU 37 -12.694 -3.175 0.257 255 HA LEU 37 HA LEU 37 -10.363 -4.683 -0.511 256 HB2 LEU 37 2HB LEU 37 -11.017 -1.801 -0.141 257 HB3 LEU 37 1HB LEU 37 -9.329 -2.276 -0.070 258 HG LEU 37 HG LEU 37 -10.133 -1.480 -2.314 259 HD11 LEU 37 1HD1 LEU 37 -8.126 -2.620 -2.403 260 HD12 LEU 37 2HD1 LEU 37 -9.137 -3.553 -3.508 261 HD13 LEU 37 3HD1 LEU 37 -8.846 -4.141 -1.872 262 HD21 LEU 37 3HD2 LEU 37 -11.556 -4.138 -2.361 263 HD22 LEU 37 1HD2 LEU 37 -11.451 -2.971 -3.679 264 HD23 LEU 37 2HD2 LEU 37 -12.349 -2.570 -2.214 265 H ILE 38 H ILE 38 -8.775 -5.395 0.747 266 HA ILE 38 HA ILE 38 -8.931 -4.825 3.623 267 HB ILE 38 HB ILE 38 -7.058 -6.902 2.613 268 HG12 ILE 38 2HG1 ILE 38 -9.957 -7.627 2.952 269 HG13 ILE 38 1HG1 ILE 38 -9.334 -7.139 1.380 270 HG21 ILE 38 1HG2 ILE 38 -8.455 -6.198 5.067 271 HG22 ILE 38 2HG2 ILE 38 -6.962 -7.109 4.831 272 HG23 ILE 38 3HG2 ILE 38 -8.522 -7.922 4.704 273 HD11 ILE 38 3HD1 ILE 38 -9.318 -9.683 2.449 274 HD12 ILE 38 1HD1 ILE 38 -7.652 -9.128 2.623 275 HD13 ILE 38 2HD1 ILE 38 -8.421 -9.129 1.036 276 H THR 39 H THR 39 -6.483 -5.201 4.556 277 HA THR 39 HA THR 39 -4.424 -3.966 2.982 278 HB THR 39 HB THR 39 -4.279 -2.100 4.852 279 HG1 THR 39 1HG THR 39 -7.068 -2.529 4.660 280 HG21 THR 39 3HG2 THR 39 -5.273 -2.128 2.212 281 HG22 THR 39 1HG2 THR 39 -4.579 -0.782 3.111 282 HG23 THR 39 2HG2 THR 39 -6.315 -1.083 3.175 283 H ARG 40 H ARG 40 -2.648 -4.919 3.599 284 HA ARG 40 HA ARG 40 -2.108 -5.377 6.437 285 HB2 ARG 40 2HB ARG 40 -1.386 -7.596 4.585 286 HB3 ARG 40 1HB ARG 40 -1.766 -7.650 6.298 287 HG2 ARG 40 2HG ARG 40 -3.937 -6.997 4.368 288 HG3 ARG 40 1HG ARG 40 -3.384 -8.664 4.511 289 HD2 ARG 40 2HD ARG 40 -5.348 -7.763 5.999 290 HD3 ARG 40 1HD ARG 40 -4.162 -8.890 6.651 291 HE ARG 40 HE ARG 40 -4.412 -6.050 7.278 292 HH11 ARG 40 1HH1 ARG 40 -2.666 -9.046 7.716 293 HH12 ARG 40 2HH1 ARG 40 -1.865 -8.508 9.152 294 HH21 ARG 40 1HH2 ARG 40 -3.354 -5.349 9.163 295 HH22 ARG 40 2HH2 ARG 40 -2.253 -6.413 9.973 296 H THR 41 H THR 41 -0.295 -4.226 6.705 297 HA THR 41 HA THR 41 1.576 -3.900 4.527 298 HB THR 41 HB THR 41 1.041 -2.018 6.032 299 HG1 THR 41 1HG THR 41 2.991 -1.308 5.763 300 HG21 THR 41 3HG2 THR 41 2.710 -3.235 8.177 301 HG22 THR 41 1HG2 THR 41 0.980 -3.573 8.110 302 HG23 THR 41 2HG2 THR 41 1.548 -1.911 8.264 303 H GLU 42 H GLU 42 3.310 -4.957 4.153 304 HA GLU 42 HA GLU 42 4.154 -7.011 6.059 305 HB2 GLU 42 2HB GLU 42 5.395 -6.824 3.363 306 HB3 GLU 42 1HB GLU 42 4.925 -8.244 4.287 307 HG2 GLU 42 2HG GLU 42 2.501 -7.388 3.781 308 HG3 GLU 42 1HG GLU 42 3.306 -6.547 2.456 309 H GLU 43 H GLU 43 6.256 -7.161 6.760 310 HA GLU 43 HA GLU 43 7.618 -4.719 7.166 311 HB2 GLU 43 2HB GLU 43 8.130 -7.576 7.826 312 HB3 GLU 43 1HB GLU 43 9.499 -6.474 7.882 313 HG2 GLU 43 2HG GLU 43 6.943 -5.839 9.305 314 HG3 GLU 43 1HG GLU 43 8.159 -6.891 10.029 315 H ILE 44 H ILE 44 8.147 -3.803 5.206 316 HA ILE 44 HA ILE 44 9.814 -5.264 3.324 317 HB ILE 44 HB ILE 44 8.842 -2.406 3.192 318 HG12 ILE 44 2HG1 ILE 44 7.526 -3.981 1.273 319 HG13 ILE 44 1HG1 ILE 44 7.469 -4.921 2.761 320 HG21 ILE 44 1HG2 ILE 44 10.861 -2.992 1.835 321 HG22 ILE 44 2HG2 ILE 44 9.475 -2.436 0.896 322 HG23 ILE 44 3HG2 ILE 44 9.862 -4.155 0.965 323 HD11 ILE 44 3HD1 ILE 44 6.454 -2.115 2.345 324 HD12 ILE 44 1HD1 ILE 44 6.518 -2.933 3.901 325 HD13 ILE 44 2HD1 ILE 44 5.491 -3.581 2.620 326 HA PRO 45 HA PRO 45 13.343 -3.388 5.462 327 HB2 PRO 45 2HB PRO 45 15.039 -5.353 4.258 328 HB3 PRO 45 1HB PRO 45 14.465 -5.290 5.925 329 HG2 PRO 45 2HG PRO 45 13.741 -7.210 4.070 330 HG3 PRO 45 1HG PRO 45 12.826 -6.814 5.534 331 HD2 PRO 45 2HD PRO 45 12.356 -5.960 2.710 332 HD3 PRO 45 1HD PRO 45 11.183 -6.378 3.977 333 H PHE 46 H PHE 46 15.252 -2.304 4.801 334 HA PHE 46 HA PHE 46 15.147 -1.333 2.074 335 HB2 PHE 46 2HB PHE 46 16.706 0.362 2.804 336 HB3 PHE 46 1HB PHE 46 15.450 0.207 4.024 337 HD1 PHE 46 1HD PHE 46 18.967 -0.483 3.236 338 HD2 PHE 46 2HD PHE 46 15.938 -0.569 6.224 339 HE1 PHE 46 1HE PHE 46 20.684 -0.836 4.963 340 HE2 PHE 46 2HE PHE 46 17.649 -0.921 7.955 341 HZ PHE 46 HZ PHE 46 20.027 -1.055 7.326 342 H GLU 47 H GLU 47 17.639 -0.741 1.363 343 HA GLU 47 HA GLU 47 19.436 -2.963 1.725 344 HB2 GLU 47 2HB GLU 47 17.708 -2.738 -0.665 345 HB3 GLU 47 1HB GLU 47 19.405 -3.077 -0.978 346 HG2 GLU 47 2HG GLU 47 18.328 -4.734 1.143 347 HG3 GLU 47 1HG GLU 47 17.442 -4.916 -0.371 348 H VAL 48 H VAL 48 21.341 -2.014 1.911 349 HA VAL 48 HA VAL 48 21.887 0.615 1.020 350 HB VAL 48 HB VAL 48 23.881 -1.501 1.847 351 HG11 VAL 48 1HG1 VAL 48 24.925 0.834 2.679 352 HG12 VAL 48 2HG1 VAL 48 24.069 1.379 1.237 353 HG13 VAL 48 3HG1 VAL 48 25.285 0.107 1.113 354 HG21 VAL 48 3HG2 VAL 48 21.812 -0.439 3.372 355 HG22 VAL 48 1HG2 VAL 48 23.239 0.478 3.855 356 HG23 VAL 48 2HG2 VAL 48 23.242 -1.283 3.966 357 H ILE 49 H ILE 49 23.285 1.349 -0.600 358 HA ILE 49 HA ILE 49 23.906 -0.610 -2.714 359 HB ILE 49 HB ILE 49 23.099 2.264 -3.172 360 HG12 ILE 49 2HG1 ILE 49 21.199 0.982 -2.320 361 HG13 ILE 49 1HG1 ILE 49 20.978 1.345 -4.029 362 HG21 ILE 49 1HG2 ILE 49 24.359 1.708 -5.011 363 HG22 ILE 49 2HG2 ILE 49 22.754 1.200 -5.535 364 HG23 ILE 49 3HG2 ILE 49 23.907 0.005 -4.942 365 HD11 ILE 49 3HD1 ILE 49 20.336 -0.964 -3.332 366 HD12 ILE 49 1HD1 ILE 49 22.044 -1.274 -3.018 367 HD13 ILE 49 2HD1 ILE 49 21.505 -0.881 -4.651 368 H LYS 50 H LYS 50 25.727 -0.087 -4.067 369 HA LYS 50 HA LYS 50 27.670 1.694 -2.747 370 HB2 LYS 50 2HB LYS 50 29.441 0.179 -3.512 371 HB3 LYS 50 1HB LYS 50 28.295 -0.650 -2.469 372 HG2 LYS 50 2HG LYS 50 27.192 -1.204 -4.841 373 HG3 LYS 50 1HG LYS 50 28.879 -1.037 -5.336 374 HD2 LYS 50 2HD LYS 50 29.525 -2.665 -3.603 375 HD3 LYS 50 1HD LYS 50 27.823 -2.859 -3.173 376 HE2 LYS 50 2HE LYS 50 27.939 -4.583 -4.626 377 HE3 LYS 50 1HE LYS 50 27.688 -3.311 -5.820 378 HZ1 LYS 50 3HZ LYS 50 30.201 -4.674 -5.083 379 HZ2 LYS 50 1HZ LYS 50 30.223 -3.164 -5.845 380 HZ3 LYS 50 2HZ LYS 50 29.506 -4.489 -6.614 381 H LYS 51 H LYS 51 27.566 3.494 -3.977 382 HA LYS 51 HA LYS 51 27.758 3.194 -6.895 383 HB2 LYS 51 2HB LYS 51 26.592 5.269 -5.104 384 HB3 LYS 51 1HB LYS 51 27.256 5.797 -6.645 385 HG2 LYS 51 2HG LYS 51 25.785 3.830 -7.582 386 HG3 LYS 51 1HG LYS 51 24.892 4.088 -6.081 387 HD2 LYS 51 2HD LYS 51 25.192 6.640 -6.951 388 HD3 LYS 51 1HD LYS 51 25.089 5.773 -8.485 389 HE2 LYS 51 2HE LYS 51 23.117 4.987 -6.443 390 HE3 LYS 51 1HE LYS 51 22.947 6.626 -7.070 391 HZ1 LYS 51 3HZ LYS 51 21.652 5.219 -8.434 392 HZ2 LYS 51 1HZ LYS 51 22.904 4.093 -8.607 393 HZ3 LYS 51 2HZ LYS 51 23.026 5.613 -9.339 394 H GLU 52 H GLU 52 29.392 4.142 -8.054 395 HA GLU 52 HA GLU 52 31.659 5.126 -6.466 396 HB2 GLU 52 2HB GLU 52 32.959 4.619 -8.601 397 HB3 GLU 52 1HB GLU 52 32.342 3.240 -7.704 398 HG2 GLU 52 2HG GLU 52 30.667 2.817 -9.270 399 HG3 GLU 52 1HG GLU 52 30.806 4.422 -9.985 400 H ASN 53 H ASN 53 32.201 7.202 -6.576 401 HA ASN 53 HA ASN 53 31.387 8.747 -8.943 402 HB2 ASN 53 2HB ASN 53 30.180 9.046 -6.533 403 HB3 ASN 53 1HB ASN 53 31.493 10.208 -6.376 404 HD21 ASN 53 1HD2 ASN 53 29.891 11.850 -6.327 405 HD22 ASN 53 2HD2 ASN 53 29.162 12.412 -7.788 406 HA PRO 54 HA PRO 54 35.705 9.836 -8.884 407 HB2 PRO 54 2HB PRO 54 35.706 11.596 -10.916 408 HB3 PRO 54 1HB PRO 54 35.489 9.861 -11.185 409 HG2 PRO 54 2HG PRO 54 33.433 12.034 -11.084 410 HG3 PRO 54 1HG PRO 54 33.569 10.674 -12.213 411 HD2 PRO 54 2HD PRO 54 31.879 10.695 -10.061 412 HD3 PRO 54 1HD PRO 54 32.558 9.213 -10.764 413 H ASN 55 H ASN 55 33.111 12.113 -8.467 414 HA ASN 55 HA ASN 55 34.484 14.497 -8.111 415 HB2 ASN 55 2HB ASN 55 31.935 14.002 -8.095 416 HB3 ASN 55 1HB ASN 55 32.152 13.766 -6.363 417 HD21 ASN 55 1HD2 ASN 55 31.253 15.496 -5.473 418 HD22 ASN 55 2HD2 ASN 55 31.641 17.135 -5.856 419 H LEU 56 H LEU 56 33.963 11.843 -5.846 420 HA LEU 56 HA LEU 56 34.929 13.123 -3.538 421 HB2 LEU 56 2HB LEU 56 35.122 10.183 -4.186 422 HB3 LEU 56 1HB LEU 56 35.147 10.912 -2.591 423 HG LEU 56 HG LEU 56 32.766 11.112 -4.426 424 HD11 LEU 56 1HD1 LEU 56 31.830 9.325 -2.860 425 HD12 LEU 56 2HD1 LEU 56 33.510 8.982 -2.449 426 HD13 LEU 56 3HD1 LEU 56 32.955 8.803 -4.113 427 HD21 LEU 56 3HD2 LEU 56 32.523 11.175 -1.490 428 HD22 LEU 56 1HD2 LEU 56 31.699 12.132 -2.721 429 HD23 LEU 56 2HD2 LEU 56 33.339 12.555 -2.225 430 HA PRO 57 HA PRO 57 39.304 13.086 -4.136 431 HB2 PRO 57 2HB PRO 57 39.884 12.660 -1.348 432 HB3 PRO 57 1HB PRO 57 39.883 14.178 -2.246 433 HG2 PRO 57 2HG PRO 57 38.078 13.544 -0.272 434 HG3 PRO 57 1HG PRO 57 37.777 14.718 -1.563 435 HD2 PRO 57 2HD PRO 57 36.883 11.870 -1.341 436 HD3 PRO 57 1HD PRO 57 36.001 13.287 -1.952 437 H ALA 58 H ALA 58 38.248 10.510 -4.649 438 HA ALA 58 HA ALA 58 38.915 8.353 -4.899 439 HB1 ALA 58 1HB ALA 58 41.427 9.797 -4.313 440 HB2 ALA 58 2HB ALA 58 40.989 8.790 -5.692 441 HB3 ALA 58 3HB ALA 58 41.468 8.038 -4.170 442 H GLY 59 H GLY 59 38.339 6.676 -3.691 443 HA2 GLY 59 2HA GLY 59 37.918 5.361 -1.860 444 HA3 GLY 59 1HA GLY 59 39.487 5.897 -1.279 445 H GLN 60 H GLN 60 36.328 7.491 -1.741 446 HA GLN 60 HA GLN 60 36.564 8.507 1.012 447 HB2 GLN 60 2HB GLN 60 36.285 9.987 -1.214 448 HB3 GLN 60 1HB GLN 60 34.587 9.702 -0.849 449 HG2 GLN 60 2HG GLN 60 35.485 10.433 1.583 450 HG3 GLN 60 1HG GLN 60 36.577 11.353 0.551 451 HE21 GLN 60 1HE2 GLN 60 33.153 10.633 1.059 452 HE22 GLN 60 2HE2 GLN 60 32.571 12.183 0.566 453 H GLU 61 H GLU 61 34.492 8.809 2.179 454 HA GLU 61 HA GLU 61 32.339 7.019 1.357 455 HB2 GLU 61 2HB GLU 61 34.119 6.606 3.711 456 HB3 GLU 61 1HB GLU 61 32.407 6.256 3.908 457 HG2 GLU 61 2HG GLU 61 32.515 4.398 2.668 458 HG3 GLU 61 1HG GLU 61 33.602 5.125 1.486 459 H ASN 62 H ASN 62 30.585 8.245 1.443 460 HA ASN 62 HA ASN 62 30.055 9.803 3.857 461 HB2 ASN 62 2HB ASN 62 29.251 11.718 2.417 462 HB3 ASN 62 1HB ASN 62 30.996 11.484 2.446 463 HD21 ASN 62 1HD2 ASN 62 28.276 11.819 0.518 464 HD22 ASN 62 2HD2 ASN 62 28.980 11.380 -0.998 465 H ILE 63 H ILE 63 28.092 9.334 4.573 466 HA ILE 63 HA ILE 63 26.214 7.958 2.844 467 HB ILE 63 HB ILE 63 25.891 8.689 5.755 468 HG12 ILE 63 2HG1 ILE 63 26.944 6.154 4.480 469 HG13 ILE 63 1HG1 ILE 63 27.866 7.288 5.462 470 HG21 ILE 63 1HG2 ILE 63 24.230 6.856 5.739 471 HG22 ILE 63 2HG2 ILE 63 24.442 6.718 3.994 472 HG23 ILE 63 3HG2 ILE 63 23.784 8.200 4.687 473 HD11 ILE 63 3HD1 ILE 63 26.663 6.694 7.418 474 HD12 ILE 63 1HD1 ILE 63 27.159 5.198 6.624 475 HD13 ILE 63 2HD1 ILE 63 25.492 5.759 6.486 476 H ILE 64 H ILE 64 24.447 8.812 1.950 477 HA ILE 64 HA ILE 64 23.870 11.639 2.468 478 HB ILE 64 HB ILE 64 22.764 9.945 0.231 479 HG12 ILE 64 2HG1 ILE 64 25.192 9.924 0.056 480 HG13 ILE 64 1HG1 ILE 64 24.520 10.970 -1.190 481 HG21 ILE 64 1HG2 ILE 64 23.160 12.840 -0.087 482 HG22 ILE 64 2HG2 ILE 64 21.944 12.370 1.099 483 HG23 ILE 64 3HG2 ILE 64 21.807 11.815 -0.569 484 HD11 ILE 64 3HD1 ILE 64 26.333 11.589 0.988 485 HD12 ILE 64 1HD1 ILE 64 24.969 12.702 0.891 486 HD13 ILE 64 2HD1 ILE 64 26.014 12.463 -0.509 487 H THR 65 H THR 65 22.274 8.488 2.215 488 HA THR 65 HA THR 65 20.201 9.430 4.041 489 HB THR 65 HB THR 65 19.569 8.097 1.399 490 HG1 THR 65 1HG THR 65 19.350 10.032 0.664 491 HG21 THR 65 3HG2 THR 65 17.666 9.200 3.448 492 HG22 THR 65 1HG2 THR 65 18.010 7.485 3.215 493 HG23 THR 65 2HG2 THR 65 17.257 8.418 1.920 494 H ALA 66 H ALA 66 20.675 8.066 5.673 495 HA ALA 66 HA ALA 66 21.701 5.503 5.513 496 HB1 ALA 66 1HB ALA 66 21.801 6.458 7.620 497 HB2 ALA 66 2HB ALA 66 20.550 5.229 7.815 498 HB3 ALA 66 3HB ALA 66 20.099 6.921 7.603 499 H GLY 67 H GLY 67 20.755 3.420 5.811 500 HA2 GLY 67 2HA GLY 67 18.264 3.124 4.355 501 HA3 GLY 67 1HA GLY 67 19.329 1.825 4.876 502 H VAL 68 H VAL 68 16.309 2.698 5.192 503 HA VAL 68 HA VAL 68 16.131 1.681 7.934 504 HB VAL 68 HB VAL 68 14.485 4.034 7.002 505 HG11 VAL 68 1HG1 VAL 68 14.832 2.774 9.721 506 HG12 VAL 68 2HG1 VAL 68 13.414 2.625 8.683 507 HG13 VAL 68 3HG1 VAL 68 13.852 4.193 9.359 508 HG21 VAL 68 3HG2 VAL 68 15.872 5.299 8.704 509 HG22 VAL 68 1HG2 VAL 68 16.681 4.880 7.195 510 HG23 VAL 68 2HG2 VAL 68 16.997 3.942 8.654 511 H LYS 69 H LYS 69 14.502 0.267 8.253 512 HA LYS 69 HA LYS 69 13.184 -0.870 6.045 513 HB2 LYS 69 2HB LYS 69 12.633 -1.133 9.004 514 HB3 LYS 69 1HB LYS 69 11.887 -2.135 7.767 515 HG2 LYS 69 2HG LYS 69 13.766 -3.348 7.415 516 HG3 LYS 69 1HG LYS 69 14.842 -1.996 7.780 517 HD2 LYS 69 2HD LYS 69 13.218 -3.012 10.027 518 HD3 LYS 69 1HD LYS 69 14.475 -4.094 9.426 519 HE2 LYS 69 2HE LYS 69 15.739 -2.935 10.906 520 HE3 LYS 69 1HE LYS 69 15.888 -1.832 9.538 521 HZ1 LYS 69 3HZ LYS 69 15.328 -0.526 11.397 522 HZ2 LYS 69 1HZ LYS 69 14.099 -1.581 11.885 523 HZ3 LYS 69 2HZ LYS 69 13.905 -0.645 10.490 524 H GLY 70 H GLY 70 11.397 -0.298 5.008 525 HA2 GLY 70 2HA GLY 70 9.709 1.803 6.169 526 HA3 GLY 70 1HA GLY 70 9.763 1.340 4.473 527 H GLU 71 H GLU 71 7.457 1.132 4.388 528 HA GLU 71 HA GLU 71 6.583 -1.477 5.110 529 HB2 GLU 71 2HB GLU 71 6.097 0.610 6.970 530 HB3 GLU 71 1HB GLU 71 4.565 0.262 6.181 531 HG2 GLU 71 2HG GLU 71 5.176 -2.214 6.689 532 HG3 GLU 71 1HG GLU 71 6.261 -1.501 7.883 533 H ARG 72 H ARG 72 4.735 -2.043 3.994 534 HA ARG 72 HA ARG 72 3.527 -0.034 2.275 535 HB2 ARG 72 2HB ARG 72 5.375 -1.169 0.972 536 HB3 ARG 72 1HB ARG 72 4.483 -2.675 1.155 537 HG2 ARG 72 2HG ARG 72 2.668 -1.846 -0.129 538 HG3 ARG 72 1HG ARG 72 3.343 -0.220 -0.127 539 HD2 ARG 72 2HD ARG 72 5.375 -1.785 -1.167 540 HD3 ARG 72 1HD ARG 72 3.909 -2.459 -1.878 541 HE ARG 72 HE ARG 72 3.945 0.381 -2.053 542 HH11 ARG 72 1HH1 ARG 72 5.252 -2.512 -3.505 543 HH12 ARG 72 2HH1 ARG 72 5.495 -1.775 -5.053 544 HH21 ARG 72 1HH2 ARG 72 4.265 1.351 -4.089 545 HH22 ARG 72 2HH2 ARG 72 4.935 0.418 -5.385 546 H THR 73 H THR 73 1.516 -0.123 2.829 547 HA THR 73 HA THR 73 0.389 -2.477 4.009 548 HB THR 73 HB THR 73 -1.143 -0.102 2.967 549 HG1 THR 73 1HG THR 73 -0.028 -0.452 5.547 550 HG21 THR 73 3HG2 THR 73 -1.911 -1.553 5.405 551 HG22 THR 73 1HG2 THR 73 -2.151 -2.372 3.860 552 HG23 THR 73 2HG2 THR 73 -2.910 -0.803 4.157 553 H HIS 74 H HIS 74 -0.524 -4.124 3.023 554 HA HIS 74 HA HIS 74 -0.985 -3.854 0.163 555 HB2 HIS 74 2HB HIS 74 0.120 -5.999 1.858 556 HB3 HIS 74 1HB HIS 74 -0.789 -6.490 0.412 557 HD1 HIS 74 1HD HIS 74 1.999 -4.237 1.473 558 HD2 HIS 74 2HD HIS 74 0.570 -6.131 -1.928 559 HE1 HIS 74 1HE HIS 74 3.670 -3.707 -0.348 560 HE2 HIS 74 2HE HIS 74 2.572 -4.583 -2.442 561 H TYR 75 H TYR 75 -2.837 -3.806 -0.597 562 HA TYR 75 HA TYR 75 -5.125 -4.522 1.014 563 HB2 TYR 75 2HB TYR 75 -5.502 -3.414 -1.712 564 HB3 TYR 75 1HB TYR 75 -6.287 -2.972 -0.200 565 HD1 TYR 75 1HD TYR 75 -3.552 -2.516 1.283 566 HD2 TYR 75 2HD TYR 75 -5.132 -1.109 -2.410 567 HE1 TYR 75 1HE TYR 75 -2.095 -0.552 1.417 568 HE2 TYR 75 2HE TYR 75 -3.704 0.887 -2.252 569 HH TYR 75 HH TYR 75 -2.274 1.910 0.464 570 H ILE 76 H ILE 76 -5.547 -6.609 0.987 571 HA ILE 76 HA ILE 76 -5.318 -8.168 -1.454 572 HB ILE 76 HB ILE 76 -6.211 -9.007 1.308 573 HG12 ILE 76 2HG1 ILE 76 -3.803 -10.184 0.932 574 HG13 ILE 76 1HG1 ILE 76 -3.562 -8.694 0.026 575 HG21 ILE 76 1HG2 ILE 76 -7.085 -10.560 -0.265 576 HG22 ILE 76 2HG2 ILE 76 -5.654 -11.301 0.449 577 HG23 ILE 76 3HG2 ILE 76 -5.569 -10.598 -1.165 578 HD11 ILE 76 3HD1 ILE 76 -4.025 -7.375 1.959 579 HD12 ILE 76 1HD1 ILE 76 -2.823 -8.591 2.388 580 HD13 ILE 76 2HD1 ILE 76 -4.505 -8.801 2.877 581 H SER 77 H SER 77 -7.100 -9.556 -2.179 582 HA SER 77 HA SER 77 -9.643 -8.111 -2.042 583 HB2 SER 77 2HB SER 77 -8.232 -9.565 -4.115 584 HB3 SER 77 1HB SER 77 -9.880 -10.167 -3.932 585 HG SER 77 HG SER 77 -10.518 -7.890 -4.041 586 H VAL 78 H VAL 78 -11.327 -8.892 -0.953 587 HA VAL 78 HA VAL 78 -11.090 -11.416 0.421 588 HB VAL 78 HB VAL 78 -13.464 -9.554 0.397 589 HG11 VAL 78 1HG1 VAL 78 -12.755 -11.189 2.753 590 HG12 VAL 78 2HG1 VAL 78 -13.378 -12.056 1.349 591 HG13 VAL 78 3HG1 VAL 78 -14.336 -10.775 2.090 592 HG21 VAL 78 3HG2 VAL 78 -12.561 -8.361 2.196 593 HG22 VAL 78 1HG2 VAL 78 -11.216 -8.527 1.069 594 HG23 VAL 78 2HG2 VAL 78 -11.312 -9.571 2.487 595 H LEU 79 H LEU 79 -11.506 -13.236 -0.647 596 HA LEU 79 HA LEU 79 -13.822 -13.292 -2.470 597 HB2 LEU 79 2HB LEU 79 -11.135 -14.571 -2.605 598 HB3 LEU 79 1HB LEU 79 -12.498 -15.438 -3.287 599 HG LEU 79 HG LEU 79 -11.751 -12.626 -4.082 600 HD11 LEU 79 1HD1 LEU 79 -10.798 -13.625 -6.102 601 HD12 LEU 79 2HD1 LEU 79 -11.073 -15.234 -5.434 602 HD13 LEU 79 3HD1 LEU 79 -9.933 -14.137 -4.653 603 HD21 LEU 79 3HD2 LEU 79 -14.013 -13.005 -4.599 604 HD22 LEU 79 1HD2 LEU 79 -13.703 -14.662 -5.118 605 HD23 LEU 79 2HD2 LEU 79 -13.138 -13.310 -6.100 606 H THR 80 H THR 80 -15.463 -14.076 -1.284 607 HA THR 80 HA THR 80 -15.001 -16.265 0.582 608 HB THR 80 HB THR 80 -17.683 -15.817 0.686 609 HG1 THR 80 1HG THR 80 -16.541 -13.279 0.177 610 HG21 THR 80 3HG2 THR 80 -16.330 -13.770 2.209 611 HG22 THR 80 1HG2 THR 80 -15.537 -15.338 2.352 612 HG23 THR 80 2HG2 THR 80 -17.246 -15.174 2.758 613 H GLU 81 H GLU 81 -15.285 -18.319 0.051 614 HA GLU 81 HA GLU 81 -17.144 -18.974 -2.136 615 HB2 GLU 81 2HB GLU 81 -14.537 -19.092 -2.575 616 HB3 GLU 81 1HB GLU 81 -14.692 -20.630 -1.738 617 HG2 GLU 81 2HG GLU 81 -15.900 -21.584 -3.415 618 HG3 GLU 81 1HG GLU 81 -16.587 -20.049 -3.945 619 H ASN 82 H ASN 82 -18.765 -19.648 -0.760 620 HA ASN 82 HA ASN 82 -19.945 -21.089 0.543 621 HB2 ASN 82 2HB ASN 82 -17.661 -22.978 -0.066 622 HB3 ASN 82 1HB ASN 82 -19.222 -23.442 0.604 623 HD21 ASN 82 1HD2 ASN 82 -18.173 -24.508 -1.742 624 HD22 ASN 82 2HD2 ASN 82 -19.172 -24.021 -3.065 625 H GLY 83 H GLY 83 -18.152 -19.272 1.811 626 HA2 GLY 83 2HA GLY 83 -17.753 -18.881 4.080 627 HA3 GLY 83 1HA GLY 83 -17.956 -20.599 4.388 628 H LYS 84 H LYS 84 -15.768 -18.880 2.177 629 HA LYS 84 HA LYS 84 -13.482 -19.694 3.796 630 HB2 LYS 84 2HB LYS 84 -13.919 -21.538 2.174 631 HB3 LYS 84 1HB LYS 84 -13.685 -20.391 0.861 632 HG2 LYS 84 2HG LYS 84 -11.507 -20.545 2.840 633 HG3 LYS 84 1HG LYS 84 -11.745 -21.972 1.828 634 HD2 LYS 84 2HD LYS 84 -11.743 -19.318 0.496 635 HD3 LYS 84 1HD LYS 84 -10.199 -19.945 1.078 636 HE2 LYS 84 2HE LYS 84 -11.989 -21.718 -0.519 637 HE3 LYS 84 1HE LYS 84 -11.036 -20.488 -1.347 638 HZ1 LYS 84 3HZ LYS 84 -9.794 -22.387 0.550 639 HZ2 LYS 84 1HZ LYS 84 -9.050 -21.462 -0.658 640 HZ3 LYS 84 2HZ LYS 84 -10.016 -22.785 -1.080 641 H THR 85 H THR 85 -12.365 -17.890 4.088 642 HA THR 85 HA THR 85 -12.436 -15.789 2.063 643 HB THR 85 HB THR 85 -10.910 -15.412 4.579 644 HG1 THR 85 1HG THR 85 -12.504 -15.905 5.819 645 HG21 THR 85 3HG2 THR 85 -12.571 -13.354 4.499 646 HG22 THR 85 1HG2 THR 85 -12.609 -13.785 2.789 647 HG23 THR 85 2HG2 THR 85 -11.074 -13.397 3.567 648 H THR 86 H THR 86 -10.946 -15.878 0.520 649 HA THR 86 HA THR 86 -8.320 -17.029 1.117 650 HB THR 86 HB THR 86 -9.095 -16.187 -1.637 651 HG1 THR 86 1HG THR 86 -10.918 -17.256 -1.229 652 HG21 THR 86 3HG2 THR 86 -7.468 -18.377 -0.427 653 HG22 THR 86 1HG2 THR 86 -7.019 -17.191 -1.653 654 HG23 THR 86 2HG2 THR 86 -8.099 -18.523 -2.067 655 H GLU 87 H GLU 87 -6.388 -15.949 0.560 656 HA GLU 87 HA GLU 87 -6.669 -13.021 0.490 657 HB2 GLU 87 2HB GLU 87 -4.524 -14.819 1.603 658 HB3 GLU 87 1HB GLU 87 -4.246 -13.105 1.324 659 HG2 GLU 87 2HG GLU 87 -5.584 -12.463 3.042 660 HG3 GLU 87 1HG GLU 87 -6.641 -13.866 2.892 661 H THR 88 H THR 88 -6.660 -12.508 -1.639 662 HA THR 88 HA THR 88 -4.388 -13.474 -3.247 663 HB THR 88 HB THR 88 -7.125 -12.570 -4.164 664 HG1 THR 88 1HG THR 88 -5.902 -15.124 -4.299 665 HG21 THR 88 3HG2 THR 88 -4.651 -13.206 -5.678 666 HG22 THR 88 1HG2 THR 88 -5.904 -12.008 -6.004 667 HG23 THR 88 2HG2 THR 88 -6.207 -13.714 -6.335 668 H VAL 89 H VAL 89 -2.873 -11.986 -3.543 669 HA VAL 89 HA VAL 89 -2.977 -9.329 -2.834 670 HB VAL 89 HB VAL 89 -1.079 -8.996 -4.490 671 HG11 VAL 89 1HG1 VAL 89 -1.151 -10.918 -2.235 672 HG12 VAL 89 2HG1 VAL 89 -0.244 -9.417 -2.419 673 HG13 VAL 89 3HG1 VAL 89 0.306 -10.884 -3.226 674 HG21 VAL 89 3HG2 VAL 89 -2.115 -11.129 -5.779 675 HG22 VAL 89 1HG2 VAL 89 -0.853 -11.914 -4.828 676 HG23 VAL 89 2HG2 VAL 89 -0.438 -10.606 -5.936 677 H LEU 90 H LEU 90 -4.012 -7.611 -3.601 678 HA LEU 90 HA LEU 90 -5.034 -7.717 -6.360 679 HB2 LEU 90 2HB LEU 90 -6.406 -7.312 -4.003 680 HB3 LEU 90 1HB LEU 90 -6.190 -5.682 -4.609 681 HG LEU 90 HG LEU 90 -8.331 -6.663 -5.313 682 HD11 LEU 90 1HD1 LEU 90 -7.634 -5.003 -6.768 683 HD12 LEU 90 2HD1 LEU 90 -7.910 -6.373 -7.845 684 HD13 LEU 90 3HD1 LEU 90 -6.268 -5.951 -7.358 685 HD21 LEU 90 3HD2 LEU 90 -7.069 -8.474 -7.259 686 HD22 LEU 90 1HD2 LEU 90 -8.553 -8.663 -6.325 687 HD23 LEU 90 2HD2 LEU 90 -6.993 -8.996 -5.577 688 H ASP 91 H ASP 91 -4.288 -5.129 -4.013 689 HA ASP 91 HA ASP 91 -2.297 -3.973 -5.723 690 HB2 ASP 91 2HB ASP 91 -4.787 -3.325 -6.512 691 HB3 ASP 91 1HB ASP 91 -4.542 -2.082 -5.287 692 H SER 92 H SER 92 -1.017 -2.514 -4.659 693 HA SER 92 HA SER 92 -1.898 -1.468 -2.080 694 HB2 SER 92 2HB SER 92 -0.265 -2.369 -0.780 695 HB3 SER 92 1HB SER 92 -0.574 -3.719 -1.878 696 HG SER 92 HG SER 92 1.251 -3.166 -3.042 697 H GLN 93 H GLN 93 -0.757 0.292 -1.348 698 HA GLN 93 HA GLN 93 0.912 1.642 -3.354 699 HB2 GLN 93 2HB GLN 93 -1.206 2.615 -1.503 700 HB3 GLN 93 1HB GLN 93 0.187 3.664 -1.722 701 HG2 GLN 93 2HG GLN 93 -1.699 2.655 -3.837 702 HG3 GLN 93 1HG GLN 93 -1.523 4.311 -3.257 703 HE21 GLN 93 1HE2 GLN 93 -0.435 1.956 -5.452 704 HE22 GLN 93 2HE2 GLN 93 0.823 2.883 -6.189 705 H VAL 94 H VAL 94 2.577 3.161 -2.236 706 HA VAL 94 HA VAL 94 3.921 1.509 -0.276 707 HB VAL 94 HB VAL 94 5.230 2.512 -2.089 708 HG11 VAL 94 1HG1 VAL 94 5.195 4.680 -2.659 709 HG12 VAL 94 2HG1 VAL 94 5.213 5.224 -0.981 710 HG13 VAL 94 3HG1 VAL 94 3.694 4.732 -1.731 711 HG21 VAL 94 3HG2 VAL 94 6.054 3.790 0.507 712 HG22 VAL 94 1HG2 VAL 94 7.086 3.210 -0.798 713 HG23 VAL 94 2HG2 VAL 94 6.200 2.059 0.200 714 H THR 95 H THR 95 3.215 1.647 1.722 715 HA THR 95 HA THR 95 2.632 4.304 2.834 716 HB THR 95 HB THR 95 1.104 3.270 4.346 717 HG1 THR 95 1HG THR 95 1.300 1.279 4.964 718 HG21 THR 95 3HG2 THR 95 -0.384 3.188 2.701 719 HG22 THR 95 1HG2 THR 95 -0.003 1.470 2.549 720 HG23 THR 95 2HG2 THR 95 0.822 2.656 1.532 721 H LYS 96 H LYS 96 4.828 4.623 3.178 722 HA LYS 96 HA LYS 96 6.246 5.017 5.057 723 HB2 LYS 96 2HB LYS 96 5.014 3.288 6.434 724 HB3 LYS 96 1HB LYS 96 5.998 2.067 5.641 725 HG2 LYS 96 2HG LYS 96 7.858 2.605 6.810 726 HG3 LYS 96 1HG LYS 96 7.437 4.316 6.904 727 HD2 LYS 96 2HD LYS 96 6.138 4.035 8.774 728 HD3 LYS 96 1HD LYS 96 5.762 2.353 8.389 729 HE2 LYS 96 2HE LYS 96 7.875 1.609 9.132 730 HE3 LYS 96 1HE LYS 96 8.521 3.249 9.175 731 HZ1 LYS 96 3HZ LYS 96 8.083 2.695 11.388 732 HZ2 LYS 96 1HZ LYS 96 6.584 1.997 11.028 733 HZ3 LYS 96 2HZ LYS 96 6.779 3.675 10.943 734 H GLU 97 H GLU 97 6.775 4.843 2.456 735 HA GLU 97 HA GLU 97 8.253 3.042 1.201 736 HB2 GLU 97 2HB GLU 97 9.726 4.912 0.349 737 HB3 GLU 97 1HB GLU 97 7.994 5.170 0.192 738 HG2 GLU 97 2HG GLU 97 9.133 6.193 2.682 739 HG3 GLU 97 1HG GLU 97 9.768 6.955 1.224 740 H VAL 98 H VAL 98 9.963 1.804 1.542 741 HA VAL 98 HA VAL 98 11.486 2.020 3.939 742 HB VAL 98 HB VAL 98 11.066 -0.174 3.052 743 HG11 VAL 98 1HG1 VAL 98 12.666 -0.534 0.846 744 HG12 VAL 98 2HG1 VAL 98 11.923 1.040 0.552 745 HG13 VAL 98 3HG1 VAL 98 10.909 -0.374 0.836 746 HG21 VAL 98 3HG2 VAL 98 13.130 0.043 4.271 747 HG22 VAL 98 1HG2 VAL 98 13.972 0.574 2.816 748 HG23 VAL 98 2HG2 VAL 98 13.362 -1.072 2.928 749 H ILE 99 H ILE 99 13.119 3.292 4.300 750 HA ILE 99 HA ILE 99 14.376 4.829 2.260 751 HB ILE 99 HB ILE 99 15.363 4.423 5.082 752 HG12 ILE 99 2HG1 ILE 99 13.026 5.110 5.145 753 HG13 ILE 99 1HG1 ILE 99 14.057 6.449 5.638 754 HG21 ILE 99 1HG2 ILE 99 16.467 6.530 4.807 755 HG22 ILE 99 2HG2 ILE 99 15.713 6.773 3.231 756 HG23 ILE 99 3HG2 ILE 99 16.909 5.495 3.449 757 HD11 ILE 99 3HD1 ILE 99 12.659 7.553 4.241 758 HD12 ILE 99 1HD1 ILE 99 12.369 6.138 3.229 759 HD13 ILE 99 2HD1 ILE 99 13.873 7.046 3.067 760 H ASN 100 H ASN 100 15.842 4.100 0.877 761 HA ASN 100 HA ASN 100 17.420 1.744 1.526 762 HB2 ASN 100 2HB ASN 100 16.710 3.213 -0.962 763 HB3 ASN 100 1HB ASN 100 18.241 2.342 -0.952 764 HD21 ASN 100 1HD2 ASN 100 16.450 1.534 -2.721 765 HD22 ASN 100 2HD2 ASN 100 15.722 0.039 -2.252 766 H GLN 101 H GLN 101 19.516 1.761 2.055 767 HA GLN 101 HA GLN 101 20.816 4.205 2.673 768 HB2 GLN 101 2HB GLN 101 21.129 1.618 3.471 769 HB3 GLN 101 1HB GLN 101 22.513 1.813 2.407 770 HG2 GLN 101 2HG GLN 101 22.026 3.947 4.391 771 HG3 GLN 101 1HG GLN 101 22.597 2.393 4.994 772 HE21 GLN 101 1HE2 GLN 101 23.330 5.119 2.944 773 HE22 GLN 101 2HE2 GLN 101 25.030 4.834 2.839 774 H VAL 102 H VAL 102 22.052 5.477 1.454 775 HA VAL 102 HA VAL 102 23.156 4.380 -1.049 776 HB VAL 102 HB VAL 102 22.851 6.722 -1.993 777 HG11 VAL 102 1HG1 VAL 102 20.778 4.673 -1.531 778 HG12 VAL 102 2HG1 VAL 102 21.417 5.327 -3.041 779 HG13 VAL 102 3HG1 VAL 102 20.214 6.236 -2.125 780 HG21 VAL 102 3HG2 VAL 102 20.574 7.170 -0.185 781 HG22 VAL 102 1HG2 VAL 102 21.703 8.322 -0.899 782 HG23 VAL 102 2HG2 VAL 102 22.167 7.405 0.535 783 H VAL 103 H VAL 103 25.256 4.160 -0.458 784 HA VAL 103 HA VAL 103 26.606 6.506 0.699 785 HB VAL 103 HB VAL 103 26.799 4.449 2.034 786 HG11 VAL 103 1HG1 VAL 103 27.331 2.440 1.206 787 HG12 VAL 103 2HG1 VAL 103 28.639 3.090 0.218 788 HG13 VAL 103 3HG1 VAL 103 26.976 3.148 -0.370 789 HG21 VAL 103 3HG2 VAL 103 29.032 4.718 2.561 790 HG22 VAL 103 1HG2 VAL 103 28.676 6.221 1.707 791 HG23 VAL 103 2HG2 VAL 103 29.515 4.911 0.876 792 H GLU 104 H GLU 104 27.702 7.701 -0.703 793 HA GLU 104 HA GLU 104 28.512 6.598 -3.262 794 HB2 GLU 104 2HB GLU 104 29.037 9.402 -2.297 795 HB3 GLU 104 1HB GLU 104 28.899 8.828 -3.953 796 HG2 GLU 104 2HG GLU 104 26.455 8.187 -2.912 797 HG3 GLU 104 1HG GLU 104 26.836 9.699 -2.087 798 H VAL 105 H VAL 105 30.345 5.467 -3.292 799 HA VAL 105 HA VAL 105 32.578 6.290 -1.585 800 HB VAL 105 HB VAL 105 31.906 3.923 -1.501 801 HG11 VAL 105 1HG1 VAL 105 32.647 3.947 -4.422 802 HG12 VAL 105 2HG1 VAL 105 31.079 3.564 -3.712 803 HG13 VAL 105 3HG1 VAL 105 32.444 2.476 -3.467 804 HG21 VAL 105 3HG2 VAL 105 34.310 3.092 -2.396 805 HG22 VAL 105 1HG2 VAL 105 34.069 3.931 -0.865 806 HG23 VAL 105 2HG2 VAL 105 34.597 4.829 -2.287 807 H GLY 106 H GLY 106 34.502 7.000 -2.367 808 HA2 GLY 106 2HA GLY 106 34.568 8.019 -5.036 809 HA3 GLY 106 1HA GLY 106 35.877 8.086 -3.865 810 H ALA 107 H ALA 107 35.377 7.170 -6.840 811 HA ALA 107 HA ALA 107 37.172 4.851 -6.624 812 HB1 ALA 107 1HB ALA 107 35.936 3.527 -8.014 813 HB2 ALA 107 2HB ALA 107 35.195 4.897 -8.842 814 HB3 ALA 107 3HB ALA 107 34.635 4.429 -7.236 815 HA PRO 108 HA PRO 108 39.671 6.906 -9.617 816 HB2 PRO 108 2HB PRO 108 40.724 4.829 -11.005 817 HB3 PRO 108 1HB PRO 108 41.207 5.217 -9.351 818 HG2 PRO 108 2HG PRO 108 39.280 3.141 -10.325 819 HG3 PRO 108 1HG PRO 108 40.529 3.010 -9.071 820 HD2 PRO 108 2HD PRO 108 37.911 3.381 -8.488 821 HD3 PRO 108 1HD PRO 108 39.216 4.035 -7.479 822 H VAL 109 H VAL 109 40.294 6.402 -12.166 823 HA VAL 109 HA VAL 109 37.713 6.643 -13.540 824 HB VAL 109 HB VAL 109 39.111 7.595 -15.419 825 HG11 VAL 109 1HG1 VAL 109 38.977 9.735 -14.567 826 HG12 VAL 109 2HG1 VAL 109 39.499 9.241 -12.956 827 HG13 VAL 109 3HG1 VAL 109 37.870 8.857 -13.511 828 HG21 VAL 109 3HG2 VAL 109 41.351 8.328 -14.959 829 HG22 VAL 109 1HG2 VAL 109 41.252 6.597 -14.633 830 HG23 VAL 109 2HG2 VAL 109 41.247 7.748 -13.296 831 H THR 110 H THR 110 40.787 4.925 -13.635 832 HA THR 110 HA THR 110 40.429 3.555 -16.050 833 HB THR 110 HB THR 110 41.895 2.625 -13.574 834 HG1 THR 110 1HG THR 110 43.268 4.108 -14.064 835 HG21 THR 110 3HG2 THR 110 42.612 1.901 -16.383 836 HG22 THR 110 1HG2 THR 110 41.470 0.932 -15.452 837 HG23 THR 110 2HG2 THR 110 43.122 1.150 -14.870 838 H HIS 111 H HIS 111 40.125 2.088 -12.814 839 HA HIS 111 HA HIS 111 38.771 0.447 -12.008 840 HB2 HIS 111 2HB HIS 111 37.091 2.251 -13.078 841 HB3 HIS 111 1HB HIS 111 36.700 0.868 -14.095 842 HD1 HIS 111 1HD HIS 111 37.339 -1.025 -11.411 843 HD2 HIS 111 2HD HIS 111 34.467 1.926 -11.968 844 HE1 HIS 111 1HE HIS 111 35.532 -1.522 -9.735 845 HE2 HIS 111 2HE HIS 111 33.845 0.326 -10.032 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -31.268 -13.162 44.477 2 H2 MET 1 2HT MET 1 -30.192 -13.506 45.769 3 H3 MET 1 3HT MET 1 -30.293 -11.915 45.134 4 HA MET 1 HA MET 1 -32.264 -13.396 46.725 5 HB2 MET 1 2HB MET 1 -30.454 -11.058 47.045 6 HB3 MET 1 1HB MET 1 -32.032 -10.952 47.812 7 HG2 MET 1 2HG MET 1 -30.571 -13.463 48.262 8 HG3 MET 1 1HG MET 1 -29.848 -12.019 48.968 9 HE1 MET 1 2HE MET 1 -33.242 -14.261 48.970 10 HE2 MET 1 3HE MET 1 -33.516 -12.701 48.196 11 HE3 MET 1 1HE MET 1 -34.257 -13.053 49.757 12 H GLY 2 H GLY 2 -34.094 -13.400 45.485 13 HA2 GLY 2 2HA GLY 2 -36.135 -12.171 45.142 14 HA3 GLY 2 1HA GLY 2 -35.170 -10.745 44.798 15 H SER 3 H SER 3 -34.370 -13.865 43.461 16 HA SER 3 HA SER 3 -34.293 -14.644 41.326 17 HB2 SER 3 2HB SER 3 -36.652 -12.852 40.747 18 HB3 SER 3 1HB SER 3 -36.223 -14.366 39.953 19 HG SER 3 HG SER 3 -37.481 -13.923 42.392 20 H SER 4 H SER 4 -34.696 -13.574 38.864 21 HA SER 4 HA SER 4 -33.713 -12.279 37.275 22 HB2 SER 4 2HB SER 4 -33.305 -9.982 39.114 23 HB3 SER 4 1HB SER 4 -34.005 -10.020 37.496 24 HG SER 4 HG SER 4 -35.290 -9.899 39.772 25 H HIS 5 H HIS 5 -31.679 -11.282 36.617 26 HA HIS 5 HA HIS 5 -29.407 -11.226 36.535 27 HB2 HIS 5 2HB HIS 5 -29.626 -11.036 39.548 28 HB3 HIS 5 1HB HIS 5 -28.200 -10.646 38.591 29 HD1 HIS 5 1HD HIS 5 -30.879 -9.388 36.671 30 HD2 HIS 5 2HD HIS 5 -28.981 -8.125 40.145 31 HE1 HIS 5 1HE HIS 5 -31.422 -6.942 36.882 32 HE2 HIS 5 2HE HIS 5 -30.335 -6.220 39.037 33 H HIS 6 H HIS 6 -29.455 -13.426 35.768 34 HA HIS 6 HA HIS 6 -27.916 -15.184 37.487 35 HB2 HIS 6 2HB HIS 6 -30.583 -15.549 37.592 36 HB3 HIS 6 1HB HIS 6 -30.210 -16.540 36.186 37 HD1 HIS 6 1HD HIS 6 -28.246 -18.397 36.659 38 HD2 HIS 6 2HD HIS 6 -30.219 -16.819 39.958 39 HE1 HIS 6 1HE HIS 6 -27.803 -20.005 38.539 40 HE2 HIS 6 2HE HIS 6 -29.078 -19.076 40.503 41 H HIS 7 H HIS 7 -27.356 -13.727 35.083 42 HA HIS 7 HA HIS 7 -26.155 -15.806 33.559 43 HB2 HIS 7 2HB HIS 7 -27.308 -15.415 31.432 44 HB3 HIS 7 1HB HIS 7 -28.430 -15.997 32.658 45 HD1 HIS 7 1HD HIS 7 -27.978 -13.347 30.227 46 HD2 HIS 7 2HD HIS 7 -30.039 -13.811 33.805 47 HE1 HIS 7 1HE HIS 7 -29.680 -11.497 30.267 48 HE2 HIS 7 2HE HIS 7 -30.973 -11.850 32.401 49 H HIS 8 H HIS 8 -24.260 -14.983 33.001 50 HA HIS 8 HA HIS 8 -24.119 -12.265 31.940 51 HB2 HIS 8 2HB HIS 8 -22.863 -13.210 34.466 52 HB3 HIS 8 1HB HIS 8 -21.895 -12.167 33.429 53 HD1 HIS 8 1HD HIS 8 -23.969 -10.160 32.486 54 HD2 HIS 8 2HD HIS 8 -23.723 -11.522 36.404 55 HE1 HIS 8 1HE HIS 8 -25.074 -8.386 33.884 56 HE2 HIS 8 2HE HIS 8 -24.836 -9.192 36.261 57 H HIS 9 H HIS 9 -23.428 -12.772 29.945 58 HA HIS 9 HA HIS 9 -20.749 -13.620 29.558 59 HB2 HIS 9 2HB HIS 9 -21.188 -15.712 28.338 60 HB3 HIS 9 1HB HIS 9 -21.690 -15.831 30.020 61 HD1 HIS 9 1HD HIS 9 -24.334 -15.624 30.440 62 HD2 HIS 9 2HD HIS 9 -23.147 -16.249 26.508 63 HE1 HIS 9 1HE HIS 9 -26.398 -16.396 29.231 64 HE2 HIS 9 2HE HIS 9 -25.677 -16.682 26.834 65 H SER 10 H SER 10 -23.953 -13.458 28.032 66 HA SER 10 HA SER 10 -24.670 -12.525 26.087 67 HB2 SER 10 2HB SER 10 -23.136 -10.630 27.226 68 HB3 SER 10 1HB SER 10 -22.225 -10.876 25.735 69 HG SER 10 HG SER 10 -23.763 -9.932 24.654 70 H SER 11 H SER 11 -23.529 -11.743 23.772 71 HA SER 11 HA SER 11 -22.223 -14.208 22.860 72 HB2 SER 11 2HB SER 11 -24.445 -13.079 21.869 73 HB3 SER 11 1HB SER 11 -23.248 -12.223 20.898 74 HG SER 11 HG SER 11 -24.077 -14.308 20.068 75 H GLY 12 H GLY 12 -20.722 -13.871 20.926 76 HA2 GLY 12 2HA GLY 12 -19.387 -11.521 20.361 77 HA3 GLY 12 1HA GLY 12 -18.577 -12.191 21.769 78 H LEU 13 H LEU 13 -16.839 -12.060 19.985 79 HA LEU 13 HA LEU 13 -16.906 -14.387 18.217 80 HB2 LEU 13 2HB LEU 13 -15.277 -11.891 18.355 81 HB3 LEU 13 1HB LEU 13 -14.589 -13.298 17.569 82 HG LEU 13 HG LEU 13 -16.881 -13.281 16.255 83 HD11 LEU 13 1HD1 LEU 13 -17.271 -10.715 15.823 84 HD12 LEU 13 2HD1 LEU 13 -16.691 -10.580 17.484 85 HD13 LEU 13 3HD1 LEU 13 -18.111 -11.562 17.122 86 HD21 LEU 13 3HD2 LEU 13 -14.460 -11.571 15.780 87 HD22 LEU 13 1HD2 LEU 13 -15.768 -11.695 14.603 88 HD23 LEU 13 2HD2 LEU 13 -14.862 -13.134 15.070 89 H VAL 14 H VAL 14 -15.192 -13.090 20.986 90 HA VAL 14 HA VAL 14 -13.496 -13.911 22.285 91 HB VAL 14 HB VAL 14 -15.419 -15.179 23.097 92 HG11 VAL 14 1HG1 VAL 14 -14.647 -17.107 20.927 93 HG12 VAL 14 2HG1 VAL 14 -16.213 -16.353 21.227 94 HG13 VAL 14 3HG1 VAL 14 -15.608 -17.597 22.321 95 HG21 VAL 14 3HG2 VAL 14 -12.839 -15.660 23.669 96 HG22 VAL 14 1HG2 VAL 14 -13.335 -17.267 23.142 97 HG23 VAL 14 2HG2 VAL 14 -14.181 -16.476 24.472 98 HA PRO 15 HA PRO 15 -11.333 -16.054 18.642 99 HB2 PRO 15 2HB PRO 15 -9.684 -14.016 17.942 100 HB3 PRO 15 1HB PRO 15 -11.296 -14.226 17.247 101 HG2 PRO 15 2HG PRO 15 -10.408 -12.404 19.451 102 HG3 PRO 15 1HG PRO 15 -11.494 -12.067 18.089 103 HD2 PRO 15 2HD PRO 15 -12.405 -12.605 20.581 104 HD3 PRO 15 1HD PRO 15 -13.298 -13.067 19.119 105 H ARG 16 H ARG 16 -10.280 -17.391 20.094 106 HA ARG 16 HA ARG 16 -8.561 -18.197 21.345 107 HB2 ARG 16 2HB ARG 16 -7.374 -16.860 19.361 108 HB3 ARG 16 1HB ARG 16 -6.812 -15.877 20.706 109 HG2 ARG 16 2HG ARG 16 -6.197 -18.242 21.710 110 HG3 ARG 16 1HG ARG 16 -6.167 -18.686 20.003 111 HD2 ARG 16 2HD ARG 16 -4.766 -16.383 19.930 112 HD3 ARG 16 1HD ARG 16 -4.353 -16.949 21.547 113 HE ARG 16 HE ARG 16 -4.080 -19.022 19.622 114 HH11 ARG 16 1HH1 ARG 16 -2.515 -16.156 20.854 115 HH12 ARG 16 2HH1 ARG 16 -0.927 -16.680 20.409 116 HH21 ARG 16 1HH2 ARG 16 -1.990 -19.714 19.037 117 HH22 ARG 16 2HH2 ARG 16 -0.628 -18.700 19.377 118 H GLY 17 H GLY 17 -10.466 -16.350 22.534 119 HA2 GLY 17 2HA GLY 17 -10.656 -15.759 24.805 120 HA3 GLY 17 1HA GLY 17 -8.904 -15.686 24.911 121 H SER 18 H SER 18 -10.711 -14.096 22.373 122 HA SER 18 HA SER 18 -10.953 -11.906 21.807 123 HB2 SER 18 2HB SER 18 -12.337 -11.785 23.816 124 HB3 SER 18 1HB SER 18 -10.905 -11.521 24.810 125 HG SER 18 HG SER 18 -10.742 -9.510 24.080 126 H HIS 19 H HIS 19 -9.253 -11.115 20.752 127 HA HIS 19 HA HIS 19 -6.731 -10.683 22.147 128 HB2 HIS 19 2HB HIS 19 -6.776 -11.795 19.916 129 HB3 HIS 19 1HB HIS 19 -7.381 -10.297 19.218 130 HD1 HIS 19 1HD HIS 19 -4.465 -10.980 21.577 131 HD2 HIS 19 2HD HIS 19 -5.296 -9.165 17.932 132 HE1 HIS 19 1HE HIS 19 -2.289 -9.973 20.814 133 HE2 HIS 19 2HE HIS 19 -2.837 -8.807 18.648 134 H MET 20 H MET 20 -9.349 -8.888 20.690 135 HA MET 20 HA MET 20 -7.942 -6.360 21.176 136 HB2 MET 20 2HB MET 20 -10.276 -7.149 19.473 137 HB3 MET 20 1HB MET 20 -10.100 -5.474 19.980 138 HG2 MET 20 2HG MET 20 -8.348 -5.101 18.618 139 HG3 MET 20 1HG MET 20 -7.697 -6.725 18.830 140 HE1 MET 20 3HE MET 20 -9.495 -8.876 16.297 141 HE2 MET 20 1HE MET 20 -9.008 -8.795 17.990 142 HE3 MET 20 2HE MET 20 -7.826 -8.492 16.716 143 H SER 21 H SER 21 -8.554 -4.960 22.725 144 HA SER 21 HA SER 21 -10.540 -5.851 24.637 145 HB2 SER 21 2HB SER 21 -8.412 -3.748 24.603 146 HB3 SER 21 1HB SER 21 -9.734 -3.603 25.761 147 HG SER 21 HG SER 21 -7.727 -4.850 26.353 148 H LEU 22 H LEU 22 -10.153 -3.371 22.208 149 HA LEU 22 HA LEU 22 -12.205 -1.632 22.986 150 HB2 LEU 22 2HB LEU 22 -11.209 -2.292 20.212 151 HB3 LEU 22 1HB LEU 22 -12.232 -0.925 20.610 152 HG LEU 22 HG LEU 22 -9.567 -1.251 21.944 153 HD11 LEU 22 1HD1 LEU 22 -10.127 -0.382 19.148 154 HD12 LEU 22 2HD1 LEU 22 -8.774 -1.313 19.789 155 HD13 LEU 22 3HD1 LEU 22 -8.858 0.426 20.067 156 HD21 LEU 22 3HD2 LEU 22 -10.677 1.362 21.142 157 HD22 LEU 22 1HD2 LEU 22 -9.860 0.879 22.630 158 HD23 LEU 22 2HD2 LEU 22 -11.564 0.489 22.391 159 H ASP 23 H ASP 23 -14.253 -1.297 21.681 160 HA ASP 23 HA ASP 23 -15.483 -3.820 20.845 161 HB2 ASP 23 2HB ASP 23 -16.863 -1.919 22.744 162 HB3 ASP 23 1HB ASP 23 -17.423 -3.504 22.219 163 H GLU 24 H GLU 24 -18.026 -2.993 20.381 164 HA GLU 24 HA GLU 24 -19.340 -1.948 18.847 165 HB2 GLU 24 2HB GLU 24 -18.468 0.035 20.320 166 HB3 GLU 24 1HB GLU 24 -17.532 0.441 18.887 167 HG2 GLU 24 2HG GLU 24 -20.406 -0.077 18.472 168 HG3 GLU 24 1HG GLU 24 -19.987 1.383 19.367 169 H ASN 25 H ASN 25 -19.293 -2.727 16.852 170 HA ASN 25 HA ASN 25 -17.027 -2.002 15.118 171 HB2 ASN 25 2HB ASN 25 -17.397 -4.253 13.994 172 HB3 ASN 25 1HB ASN 25 -16.672 -4.300 15.598 173 HD21 ASN 25 1HD2 ASN 25 -19.794 -4.499 13.950 174 HD22 ASN 25 2HD2 ASN 25 -20.495 -5.640 15.041 175 H GLU 26 H GLU 26 -17.753 -2.749 12.722 176 HA GLU 26 HA GLU 26 -20.118 -1.141 12.188 177 HB2 GLU 26 2HB GLU 26 -17.724 -1.254 10.938 178 HB3 GLU 26 1HB GLU 26 -18.637 -2.383 9.946 179 HG2 GLU 26 2HG GLU 26 -19.299 -0.594 8.808 180 HG3 GLU 26 1HG GLU 26 -20.365 -0.275 10.175 181 H VAL 27 H VAL 27 -21.368 -2.003 10.120 182 HA VAL 27 HA VAL 27 -22.635 -4.439 10.974 183 HB VAL 27 HB VAL 27 -23.180 -2.885 8.445 184 HG11 VAL 27 1HG1 VAL 27 -24.726 -4.922 10.023 185 HG12 VAL 27 2HG1 VAL 27 -24.240 -4.986 8.329 186 HG13 VAL 27 3HG1 VAL 27 -25.492 -3.855 8.845 187 HG21 VAL 27 3HG2 VAL 27 -25.008 -1.816 9.795 188 HG22 VAL 27 1HG2 VAL 27 -23.372 -1.319 10.229 189 HG23 VAL 27 2HG2 VAL 27 -24.237 -2.479 11.237 190 H ALA 28 H ALA 28 -23.029 -6.266 9.542 191 HA ALA 28 HA ALA 28 -20.601 -7.111 8.246 192 HB1 ALA 28 1HB ALA 28 -22.472 -8.449 9.636 193 HB2 ALA 28 2HB ALA 28 -21.381 -9.216 8.482 194 HB3 ALA 28 3HB ALA 28 -23.019 -8.781 7.992 195 H ALA 29 H ALA 29 -23.975 -7.269 7.099 196 HA ALA 29 HA ALA 29 -24.900 -6.972 5.043 197 HB1 ALA 29 1HB ALA 29 -23.429 -5.309 3.555 198 HB2 ALA 29 2HB ALA 29 -22.730 -4.962 5.136 199 HB3 ALA 29 3HB ALA 29 -24.462 -4.754 4.873 200 H ASN 30 H ASN 30 -24.187 -6.937 2.539 201 HA ASN 30 HA ASN 30 -21.895 -8.373 1.773 202 HB2 ASN 30 2HB ASN 30 -23.434 -10.095 3.066 203 HB3 ASN 30 1HB ASN 30 -24.280 -10.155 1.522 204 HD21 ASN 30 1HD2 ASN 30 -23.714 -12.176 0.919 205 HD22 ASN 30 2HD2 ASN 30 -22.092 -12.667 0.584 206 H VAL 31 H VAL 31 -21.818 -8.787 -0.491 207 HA VAL 31 HA VAL 31 -24.088 -7.782 -2.054 208 HB VAL 31 HB VAL 31 -22.412 -6.616 -3.561 209 HG11 VAL 31 1HG1 VAL 31 -22.125 -4.714 -1.734 210 HG12 VAL 31 2HG1 VAL 31 -23.271 -5.732 -0.862 211 HG13 VAL 31 3HG1 VAL 31 -23.690 -5.094 -2.452 212 HG21 VAL 31 3HG2 VAL 31 -20.453 -7.805 -2.437 213 HG22 VAL 31 1HG2 VAL 31 -20.634 -6.625 -1.138 214 HG23 VAL 31 2HG2 VAL 31 -20.262 -6.085 -2.775 215 H GLU 32 H GLU 32 -23.417 -8.054 -4.528 216 HA GLU 32 HA GLU 32 -22.126 -10.676 -4.854 217 HB2 GLU 32 2HB GLU 32 -24.853 -9.813 -5.715 218 HB3 GLU 32 1HB GLU 32 -23.958 -10.923 -6.746 219 HG2 GLU 32 2HG GLU 32 -24.028 -11.634 -3.896 220 HG3 GLU 32 1HG GLU 32 -25.580 -11.681 -4.731 221 H THR 33 H THR 33 -20.993 -8.102 -5.290 222 HA THR 33 HA THR 33 -20.615 -8.206 -8.210 223 HB THR 33 HB THR 33 -20.518 -5.707 -6.511 224 HG1 THR 33 1HG THR 33 -22.628 -6.132 -6.639 225 HG21 THR 33 3HG2 THR 33 -19.951 -6.258 -9.347 226 HG22 THR 33 1HG2 THR 33 -19.332 -4.995 -8.282 227 HG23 THR 33 2HG2 THR 33 -20.932 -4.833 -9.003 228 H ARG 34 H ARG 34 -19.153 -7.045 -5.174 229 HA ARG 34 HA ARG 34 -16.659 -8.319 -5.813 230 HB2 ARG 34 2HB ARG 34 -16.912 -5.856 -6.909 231 HB3 ARG 34 1HB ARG 34 -16.262 -5.427 -5.332 232 HG2 ARG 34 2HG ARG 34 -14.271 -6.565 -5.702 233 HG3 ARG 34 1HG ARG 34 -14.960 -7.541 -7.001 234 HD2 ARG 34 2HD ARG 34 -13.387 -5.715 -7.730 235 HD3 ARG 34 1HD ARG 34 -14.974 -5.705 -8.497 236 HE ARG 34 HE ARG 34 -14.805 -4.028 -6.169 237 HH11 ARG 34 1HH1 ARG 34 -14.267 -4.201 -9.613 238 HH12 ARG 34 2HH1 ARG 34 -14.401 -2.491 -9.848 239 HH21 ARG 34 1HH2 ARG 34 -14.983 -1.777 -6.475 240 HH22 ARG 34 2HH2 ARG 34 -14.808 -1.114 -8.066 241 HA PRO 35 HA PRO 35 -16.575 -8.543 -1.396 242 HB2 PRO 35 2HB PRO 35 -13.858 -8.798 -1.037 243 HB3 PRO 35 1HB PRO 35 -14.930 -10.124 -1.495 244 HG2 PRO 35 2HG PRO 35 -13.170 -8.426 -3.217 245 HG3 PRO 35 1HG PRO 35 -13.462 -10.174 -3.292 246 HD2 PRO 35 2HD PRO 35 -14.648 -8.474 -4.998 247 HD3 PRO 35 1HD PRO 35 -15.487 -9.915 -4.387 248 H GLU 36 H GLU 36 -14.679 -7.652 0.329 249 HA GLU 36 HA GLU 36 -14.915 -4.749 0.034 250 HB2 GLU 36 2HB GLU 36 -14.520 -4.639 2.434 251 HB3 GLU 36 1HB GLU 36 -15.819 -5.771 2.084 252 HG2 GLU 36 2HG GLU 36 -14.746 -7.209 3.382 253 HG3 GLU 36 1HG GLU 36 -13.567 -7.359 2.080 254 H LEU 37 H LEU 37 -12.999 -3.642 1.408 255 HA LEU 37 HA LEU 37 -10.514 -4.615 0.162 256 HB2 LEU 37 2HB LEU 37 -11.331 -1.813 0.929 257 HB3 LEU 37 1HB LEU 37 -9.731 -2.250 0.357 258 HG LEU 37 HG LEU 37 -12.000 -3.017 -1.387 259 HD11 LEU 37 1HD1 LEU 37 -11.054 -0.171 -1.381 260 HD12 LEU 37 2HD1 LEU 37 -12.483 -0.681 -0.481 261 HD13 LEU 37 3HD1 LEU 37 -12.426 -0.879 -2.234 262 HD21 LEU 37 3HD2 LEU 37 -10.388 -2.241 -3.110 263 HD22 LEU 37 1HD2 LEU 37 -9.755 -3.519 -2.073 264 HD23 LEU 37 2HD2 LEU 37 -9.256 -1.847 -1.818 265 H ILE 38 H ILE 38 -9.163 -5.530 1.525 266 HA ILE 38 HA ILE 38 -9.190 -4.715 4.339 267 HB ILE 38 HB ILE 38 -9.390 -7.209 3.457 268 HG12 ILE 38 2HG1 ILE 38 -8.842 -7.980 5.581 269 HG13 ILE 38 1HG1 ILE 38 -7.497 -6.865 5.759 270 HG21 ILE 38 1HG2 ILE 38 -7.285 -8.394 3.410 271 HG22 ILE 38 2HG2 ILE 38 -6.405 -6.888 3.660 272 HG23 ILE 38 3HG2 ILE 38 -7.311 -7.140 2.172 273 HD11 ILE 38 3HD1 ILE 38 -9.675 -6.526 7.124 274 HD12 ILE 38 1HD1 ILE 38 -10.281 -5.808 5.631 275 HD13 ILE 38 2HD1 ILE 38 -8.854 -5.133 6.420 276 H THR 39 H THR 39 -6.735 -5.242 5.245 277 HA THR 39 HA THR 39 -4.680 -4.192 3.492 278 HB THR 39 HB THR 39 -4.254 -2.342 5.314 279 HG1 THR 39 1HG THR 39 -7.061 -2.682 5.490 280 HG21 THR 39 3HG2 THR 39 -5.493 -2.300 2.809 281 HG22 THR 39 1HG2 THR 39 -4.761 -0.952 3.674 282 HG23 THR 39 2HG2 THR 39 -6.480 -1.291 3.864 283 H ARG 40 H ARG 40 -2.695 -4.684 4.151 284 HA ARG 40 HA ARG 40 -2.022 -5.367 6.852 285 HB2 ARG 40 2HB ARG 40 -3.123 -7.459 6.141 286 HB3 ARG 40 1HB ARG 40 -2.042 -7.554 4.757 287 HG2 ARG 40 2HG ARG 40 -0.231 -8.154 6.039 288 HG3 ARG 40 1HG ARG 40 -0.891 -7.423 7.503 289 HD2 ARG 40 2HD ARG 40 -1.035 -9.764 7.806 290 HD3 ARG 40 1HD ARG 40 -2.670 -9.207 7.451 291 HE ARG 40 HE ARG 40 -1.238 -10.072 5.121 292 HH11 ARG 40 1HH1 ARG 40 -3.185 -11.130 7.817 293 HH12 ARG 40 2HH1 ARG 40 -3.732 -12.566 7.020 294 HH21 ARG 40 1HH2 ARG 40 -1.956 -11.960 4.071 295 HH22 ARG 40 2HH2 ARG 40 -3.035 -13.039 4.893 296 H THR 41 H THR 41 -0.209 -4.178 6.888 297 HA THR 41 HA THR 41 1.449 -3.935 4.538 298 HB THR 41 HB THR 41 1.015 -2.032 6.091 299 HG1 THR 41 1HG THR 41 3.015 -1.233 5.835 300 HG21 THR 41 3HG2 THR 41 3.065 -3.068 7.966 301 HG22 THR 41 1HG2 THR 41 1.394 -3.595 8.166 302 HG23 THR 41 2HG2 THR 41 1.789 -1.878 8.223 303 H GLU 42 H GLU 42 3.232 -4.883 4.069 304 HA GLU 42 HA GLU 42 4.242 -6.940 5.889 305 HB2 GLU 42 2HB GLU 42 5.340 -6.693 3.142 306 HB3 GLU 42 1HB GLU 42 4.921 -8.132 4.058 307 HG2 GLU 42 2HG GLU 42 2.980 -6.289 2.679 308 HG3 GLU 42 1HG GLU 42 3.502 -7.870 2.101 309 H GLU 43 H GLU 43 6.371 -7.010 6.500 310 HA GLU 43 HA GLU 43 7.675 -4.525 6.830 311 HB2 GLU 43 2HB GLU 43 7.824 -6.675 8.271 312 HB3 GLU 43 1HB GLU 43 9.074 -7.166 7.134 313 HG2 GLU 43 2HG GLU 43 10.469 -5.368 7.739 314 HG3 GLU 43 1HG GLU 43 9.167 -4.550 8.602 315 H ILE 44 H ILE 44 8.083 -3.602 4.840 316 HA ILE 44 HA ILE 44 9.640 -5.015 2.849 317 HB ILE 44 HB ILE 44 8.793 -2.115 2.866 318 HG12 ILE 44 2HG1 ILE 44 7.224 -3.471 1.020 319 HG13 ILE 44 1HG1 ILE 44 7.283 -4.571 2.393 320 HG21 ILE 44 1HG2 ILE 44 10.507 -2.340 1.290 321 HG22 ILE 44 2HG2 ILE 44 9.024 -2.485 0.345 322 HG23 ILE 44 3HG2 ILE 44 9.944 -3.929 0.770 323 HD11 ILE 44 3HD1 ILE 44 5.363 -3.197 2.656 324 HD12 ILE 44 1HD1 ILE 44 6.308 -1.723 2.367 325 HD13 ILE 44 2HD1 ILE 44 6.564 -2.657 3.835 326 HA PRO 45 HA PRO 45 13.349 -3.295 4.774 327 HB2 PRO 45 2HB PRO 45 15.069 -5.144 3.934 328 HB3 PRO 45 1HB PRO 45 13.866 -5.524 5.172 329 HG2 PRO 45 2HG PRO 45 13.872 -6.199 2.264 330 HG3 PRO 45 1HG PRO 45 13.338 -7.178 3.642 331 HD2 PRO 45 2HD PRO 45 11.678 -5.688 1.964 332 HD3 PRO 45 1HD PRO 45 11.241 -6.306 3.566 333 H PHE 46 H PHE 46 15.169 -2.183 4.040 334 HA PHE 46 HA PHE 46 15.051 -1.329 1.271 335 HB2 PHE 46 2HB PHE 46 16.656 0.385 1.936 336 HB3 PHE 46 1HB PHE 46 15.313 0.341 3.072 337 HD1 PHE 46 2HD PHE 46 15.623 -0.607 5.319 338 HD2 PHE 46 1HD PHE 46 18.881 -0.141 2.619 339 HE1 PHE 46 2HE PHE 46 17.203 -0.869 7.186 340 HE2 PHE 46 1HE PHE 46 20.465 -0.405 4.482 341 HZ PHE 46 HZ PHE 46 19.627 -0.768 6.768 342 H GLU 47 H GLU 47 17.492 -0.767 0.473 343 HA GLU 47 HA GLU 47 19.267 -3.023 0.922 344 HB2 GLU 47 2HB GLU 47 19.428 -3.546 -1.489 345 HB3 GLU 47 1HB GLU 47 17.832 -3.879 -0.833 346 HG2 GLU 47 2HG GLU 47 17.361 -1.426 -1.693 347 HG3 GLU 47 1HG GLU 47 18.695 -1.815 -2.778 348 H VAL 48 H VAL 48 21.133 -2.057 1.330 349 HA VAL 48 HA VAL 48 21.805 0.554 0.468 350 HB VAL 48 HB VAL 48 23.753 -1.540 1.427 351 HG11 VAL 48 1HG1 VAL 48 25.046 0.247 0.809 352 HG12 VAL 48 2HG1 VAL 48 24.682 0.683 2.478 353 HG13 VAL 48 3HG1 VAL 48 23.780 1.425 1.155 354 HG21 VAL 48 3HG2 VAL 48 23.141 -0.066 3.637 355 HG22 VAL 48 1HG2 VAL 48 22.475 -1.655 3.268 356 HG23 VAL 48 2HG2 VAL 48 21.570 -0.203 2.850 357 H ILE 49 H ILE 49 23.372 1.244 -1.017 358 HA ILE 49 HA ILE 49 24.167 -0.756 -3.033 359 HB ILE 49 HB ILE 49 23.415 2.102 -3.644 360 HG12 ILE 49 2HG1 ILE 49 21.441 0.851 -2.895 361 HG13 ILE 49 1HG1 ILE 49 21.354 1.190 -4.621 362 HG21 ILE 49 1HG2 ILE 49 24.299 -0.238 -5.277 363 HG22 ILE 49 2HG2 ILE 49 24.838 1.440 -5.337 364 HG23 ILE 49 3HG2 ILE 49 23.260 0.996 -5.990 365 HD11 ILE 49 3HD1 ILE 49 20.653 -1.117 -3.872 366 HD12 ILE 49 1HD1 ILE 49 22.359 -1.423 -3.548 367 HD13 ILE 49 2HD1 ILE 49 21.828 -1.039 -5.184 368 H LYS 50 H LYS 50 26.101 -0.256 -4.228 369 HA LYS 50 HA LYS 50 27.912 1.562 -2.778 370 HB2 LYS 50 2HB LYS 50 28.198 -1.114 -2.850 371 HB3 LYS 50 1HB LYS 50 29.066 -0.692 -4.320 372 HG2 LYS 50 2HG LYS 50 30.794 -0.568 -2.873 373 HG3 LYS 50 1HG LYS 50 30.183 1.075 -2.668 374 HD2 LYS 50 2HD LYS 50 30.341 0.434 -0.477 375 HD3 LYS 50 1HD LYS 50 28.688 -0.077 -0.825 376 HE2 LYS 50 2HE LYS 50 31.165 -1.792 -0.780 377 HE3 LYS 50 1HE LYS 50 29.803 -1.852 0.337 378 HZ1 LYS 50 3HZ LYS 50 29.694 -2.507 -2.557 379 HZ2 LYS 50 1HZ LYS 50 28.387 -2.570 -1.485 380 HZ3 LYS 50 2HZ LYS 50 29.691 -3.630 -1.293 381 H LYS 51 H LYS 51 27.914 3.338 -4.049 382 HA LYS 51 HA LYS 51 28.264 3.006 -6.940 383 HB2 LYS 51 2HB LYS 51 26.545 4.608 -5.658 384 HB3 LYS 51 1HB LYS 51 27.922 5.700 -5.731 385 HG2 LYS 51 2HG LYS 51 27.029 6.277 -7.705 386 HG3 LYS 51 1HG LYS 51 27.864 4.833 -8.282 387 HD2 LYS 51 2HD LYS 51 25.195 4.363 -7.139 388 HD3 LYS 51 1HD LYS 51 25.216 5.316 -8.624 389 HE2 LYS 51 2HE LYS 51 26.914 2.903 -8.601 390 HE3 LYS 51 1HE LYS 51 25.173 2.624 -8.573 391 HZ1 LYS 51 3HZ LYS 51 24.914 3.835 -10.581 392 HZ2 LYS 51 1HZ LYS 51 26.179 2.740 -10.832 393 HZ3 LYS 51 2HZ LYS 51 26.517 4.374 -10.555 394 H GLU 52 H GLU 52 30.052 3.681 -8.010 395 HA GLU 52 HA GLU 52 32.353 4.417 -6.371 396 HB2 GLU 52 2HB GLU 52 31.981 3.232 -9.084 397 HB3 GLU 52 1HB GLU 52 33.464 4.120 -8.759 398 HG2 GLU 52 2HG GLU 52 34.193 2.101 -8.101 399 HG3 GLU 52 1HG GLU 52 33.402 2.549 -6.591 400 H ASN 53 H ASN 53 32.386 6.558 -5.988 401 HA ASN 53 HA ASN 53 31.890 8.399 -8.217 402 HB2 ASN 53 2HB ASN 53 31.633 8.590 -5.263 403 HB3 ASN 53 1HB ASN 53 32.109 10.054 -6.118 404 HD21 ASN 53 1HD2 ASN 53 30.170 11.064 -5.589 405 HD22 ASN 53 2HD2 ASN 53 28.684 10.654 -6.370 406 HA PRO 54 HA PRO 54 36.459 8.529 -8.139 407 HB2 PRO 54 2HB PRO 54 36.695 9.584 -10.638 408 HB3 PRO 54 1HB PRO 54 36.499 7.855 -10.330 409 HG2 PRO 54 2HG PRO 54 34.448 9.881 -11.135 410 HG3 PRO 54 1HG PRO 54 34.678 8.225 -11.727 411 HD2 PRO 54 2HD PRO 54 32.781 8.859 -9.912 412 HD3 PRO 54 1HD PRO 54 33.614 7.291 -9.902 413 H ASN 55 H ASN 55 34.058 10.973 -8.603 414 HA ASN 55 HA ASN 55 35.636 13.250 -8.924 415 HB2 ASN 55 2HB ASN 55 32.899 12.712 -7.878 416 HB3 ASN 55 1HB ASN 55 33.606 14.290 -7.541 417 HD21 ASN 55 1HD2 ASN 55 33.875 12.179 -10.368 418 HD22 ASN 55 2HD2 ASN 55 33.248 13.325 -11.499 419 H LEU 56 H LEU 56 34.902 11.361 -6.075 420 HA LEU 56 HA LEU 56 35.883 13.301 -4.209 421 HB2 LEU 56 2HB LEU 56 35.544 10.340 -3.759 422 HB3 LEU 56 1HB LEU 56 35.591 11.602 -2.543 423 HG LEU 56 HG LEU 56 33.426 11.548 -4.622 424 HD11 LEU 56 1HD1 LEU 56 32.101 10.112 -3.389 425 HD12 LEU 56 2HD1 LEU 56 33.062 10.314 -1.923 426 HD13 LEU 56 3HD1 LEU 56 33.688 9.355 -3.265 427 HD21 LEU 56 3HD2 LEU 56 32.973 12.445 -1.852 428 HD22 LEU 56 1HD2 LEU 56 32.433 13.145 -3.377 429 HD23 LEU 56 2HD2 LEU 56 34.078 13.430 -2.809 430 HA PRO 57 HA PRO 57 40.163 12.210 -4.245 431 HB2 PRO 57 2HB PRO 57 40.594 12.609 -1.454 432 HB3 PRO 57 1HB PRO 57 40.806 13.779 -2.754 433 HG2 PRO 57 2HG PRO 57 38.882 13.929 -0.757 434 HG3 PRO 57 1HG PRO 57 38.830 14.799 -2.299 435 HD2 PRO 57 2HD PRO 57 37.426 12.292 -1.485 436 HD3 PRO 57 1HD PRO 57 36.858 13.622 -2.517 437 H ALA 58 H ALA 58 38.551 9.857 -3.988 438 HA ALA 58 HA ALA 58 38.745 7.652 -3.471 439 HB1 ALA 58 1HB ALA 58 40.871 7.428 -4.256 440 HB2 ALA 58 2HB ALA 58 41.160 7.049 -2.559 441 HB3 ALA 58 3HB ALA 58 41.520 8.661 -3.176 442 H GLY 59 H GLY 59 38.581 6.192 -1.731 443 HA2 GLY 59 2HA GLY 59 38.011 5.603 0.414 444 HA3 GLY 59 1HA GLY 59 39.346 6.633 0.904 445 H GLN 60 H GLN 60 36.631 7.936 -0.842 446 HA GLN 60 HA GLN 60 35.958 9.548 1.500 447 HB2 GLN 60 2HB GLN 60 36.405 10.590 -0.759 448 HB3 GLN 60 1HB GLN 60 34.908 9.854 -1.313 449 HG2 GLN 60 2HG GLN 60 34.650 12.214 -0.676 450 HG3 GLN 60 1HG GLN 60 33.632 11.129 0.271 451 HE21 GLN 60 1HE2 GLN 60 33.416 12.352 2.069 452 HE22 GLN 60 2HE2 GLN 60 34.727 12.795 3.104 453 H GLU 61 H GLU 61 34.374 8.887 2.777 454 HA GLU 61 HA GLU 61 32.186 7.301 1.610 455 HB2 GLU 61 2HB GLU 61 33.498 7.271 4.302 456 HB3 GLU 61 1HB GLU 61 31.836 6.721 4.139 457 HG2 GLU 61 2HG GLU 61 33.666 5.577 2.171 458 HG3 GLU 61 1HG GLU 61 34.050 5.167 3.841 459 H ASN 62 H ASN 62 30.126 7.988 1.783 460 HA ASN 62 HA ASN 62 29.412 10.068 3.676 461 HB2 ASN 62 2HB ASN 62 28.439 11.519 1.899 462 HB3 ASN 62 1HB ASN 62 30.195 11.414 1.824 463 HD21 ASN 62 1HD2 ASN 62 28.584 12.223 -0.307 464 HD22 ASN 62 2HD2 ASN 62 28.724 11.056 -1.573 465 H ILE 63 H ILE 63 27.063 10.494 3.683 466 HA ILE 63 HA ILE 63 25.519 8.219 2.626 467 HB ILE 63 HB ILE 63 25.063 9.533 5.305 468 HG12 ILE 63 2HG1 ILE 63 27.162 8.197 5.217 469 HG13 ILE 63 1HG1 ILE 63 25.961 7.522 6.312 470 HG21 ILE 63 1HG2 ILE 63 23.775 7.144 5.366 471 HG22 ILE 63 2HG2 ILE 63 23.564 7.609 3.678 472 HG23 ILE 63 3HG2 ILE 63 23.014 8.683 4.964 473 HD11 ILE 63 3HD1 ILE 63 27.089 5.801 5.001 474 HD12 ILE 63 1HD1 ILE 63 26.510 6.555 3.516 475 HD13 ILE 63 2HD1 ILE 63 25.360 5.856 4.656 476 H ILE 64 H ILE 64 24.593 9.292 0.925 477 HA ILE 64 HA ILE 64 23.475 11.911 1.151 478 HB ILE 64 HB ILE 64 22.826 9.884 -0.984 479 HG12 ILE 64 2HG1 ILE 64 25.244 10.000 -0.815 480 HG13 ILE 64 1HG1 ILE 64 24.723 10.865 -2.256 481 HG21 ILE 64 1HG2 ILE 64 22.421 11.822 -2.372 482 HG22 ILE 64 2HG2 ILE 64 22.916 12.896 -1.061 483 HG23 ILE 64 3HG2 ILE 64 21.452 11.926 -0.902 484 HD11 ILE 64 3HD1 ILE 64 26.534 11.938 -0.847 485 HD12 ILE 64 1HD1 ILE 64 25.267 12.272 0.333 486 HD13 ILE 64 2HD1 ILE 64 25.161 12.952 -1.291 487 H THR 65 H THR 65 22.265 8.652 1.494 488 HA THR 65 HA THR 65 19.901 9.572 2.813 489 HB THR 65 HB THR 65 19.513 8.077 0.215 490 HG1 THR 65 1HG THR 65 19.637 9.954 -0.678 491 HG21 THR 65 3HG2 THR 65 17.291 9.575 1.383 492 HG22 THR 65 1HG2 THR 65 17.810 8.175 2.320 493 HG23 THR 65 2HG2 THR 65 17.325 7.978 0.636 494 H ALA 66 H ALA 66 20.466 8.278 4.513 495 HA ALA 66 HA ALA 66 21.470 5.700 4.441 496 HB1 ALA 66 1HB ALA 66 20.053 7.337 6.454 497 HB2 ALA 66 2HB ALA 66 21.609 6.512 6.549 498 HB3 ALA 66 3HB ALA 66 20.114 5.597 6.742 499 H GLY 67 H GLY 67 20.525 3.640 4.754 500 HA2 GLY 67 2HA GLY 67 17.919 3.389 3.455 501 HA3 GLY 67 1HA GLY 67 19.075 2.090 3.720 502 H VAL 68 H VAL 68 16.121 3.149 4.589 503 HA VAL 68 HA VAL 68 16.249 1.713 7.150 504 HB VAL 68 HB VAL 68 14.559 4.176 6.720 505 HG11 VAL 68 1HG1 VAL 68 13.714 2.525 8.347 506 HG12 VAL 68 2HG1 VAL 68 14.163 4.054 9.102 507 HG13 VAL 68 3HG1 VAL 68 15.231 2.657 9.237 508 HG21 VAL 68 3HG2 VAL 68 17.053 4.599 6.743 509 HG22 VAL 68 1HG2 VAL 68 17.048 4.005 8.404 510 HG23 VAL 68 2HG2 VAL 68 16.116 5.440 7.979 511 H LYS 69 H LYS 69 14.688 0.238 7.449 512 HA LYS 69 HA LYS 69 13.080 -0.620 5.331 513 HB2 LYS 69 2HB LYS 69 12.627 -1.176 8.266 514 HB3 LYS 69 1HB LYS 69 12.067 -2.147 6.912 515 HG2 LYS 69 2HG LYS 69 14.061 -3.152 6.633 516 HG3 LYS 69 1HG LYS 69 14.974 -1.695 7.037 517 HD2 LYS 69 2HD LYS 69 13.455 -3.202 9.140 518 HD3 LYS 69 1HD LYS 69 15.073 -3.710 8.649 519 HE2 LYS 69 2HE LYS 69 15.564 -2.312 10.407 520 HE3 LYS 69 1HE LYS 69 15.659 -1.193 9.046 521 HZ1 LYS 69 3HZ LYS 69 13.084 -1.512 10.408 522 HZ2 LYS 69 1HZ LYS 69 13.741 -0.150 9.649 523 HZ3 LYS 69 2HZ LYS 69 14.289 -0.612 11.181 524 H GLY 70 H GLY 70 11.194 0.052 4.563 525 HA2 GLY 70 2HA GLY 70 9.711 2.082 6.069 526 HA3 GLY 70 1HA GLY 70 9.530 1.728 4.357 527 H GLU 71 H GLU 71 7.333 1.339 4.270 528 HA GLU 71 HA GLU 71 6.453 -1.201 5.144 529 HB2 GLU 71 2HB GLU 71 6.167 0.845 7.042 530 HB3 GLU 71 1HB GLU 71 4.577 0.674 6.317 531 HG2 GLU 71 2HG GLU 71 4.964 -1.865 6.730 532 HG3 GLU 71 1HG GLU 71 6.165 -1.298 7.889 533 H ARG 72 H ARG 72 4.676 -1.805 4.025 534 HA ARG 72 HA ARG 72 3.297 0.205 2.428 535 HB2 ARG 72 2HB ARG 72 5.107 -0.930 1.039 536 HB3 ARG 72 1HB ARG 72 4.191 -2.420 1.226 537 HG2 ARG 72 2HG ARG 72 2.423 -1.634 -0.055 538 HG3 ARG 72 1HG ARG 72 2.922 0.044 0.130 539 HD2 ARG 72 2HD ARG 72 4.253 -2.089 -1.519 540 HD3 ARG 72 1HD ARG 72 3.459 -0.624 -2.095 541 HE ARG 72 HE ARG 72 5.419 0.343 -0.519 542 HH11 ARG 72 1HH1 ARG 72 5.417 -1.981 -3.123 543 HH12 ARG 72 2HH1 ARG 72 7.033 -1.608 -3.622 544 HH21 ARG 72 1HH2 ARG 72 7.544 0.834 -1.174 545 HH22 ARG 72 2HH2 ARG 72 8.241 -0.012 -2.516 546 H THR 73 H THR 73 1.321 0.074 3.103 547 HA THR 73 HA THR 73 0.315 -2.308 4.331 548 HB THR 73 HB THR 73 -1.260 0.107 3.436 549 HG1 THR 73 1HG THR 73 -0.684 1.064 5.243 550 HG21 THR 73 3HG2 THR 73 -2.054 -1.352 5.832 551 HG22 THR 73 1HG2 THR 73 -2.220 -2.252 4.322 552 HG23 THR 73 2HG2 THR 73 -3.029 -0.694 4.517 553 H HIS 74 H HIS 74 -0.567 -3.977 3.380 554 HA HIS 74 HA HIS 74 -1.214 -3.704 0.560 555 HB2 HIS 74 2HB HIS 74 0.069 -5.792 2.171 556 HB3 HIS 74 1HB HIS 74 -0.991 -6.365 0.864 557 HD1 HIS 74 1HD HIS 74 1.686 -3.809 1.420 558 HD2 HIS 74 2HD HIS 74 0.229 -6.296 -1.560 559 HE1 HIS 74 1HE HIS 74 3.126 -3.352 -0.605 560 HE2 HIS 74 2HE HIS 74 2.008 -4.644 -2.453 561 H TYR 75 H TYR 75 -3.113 -3.599 -0.063 562 HA TYR 75 HA TYR 75 -5.301 -4.416 1.630 563 HB2 TYR 75 2HB TYR 75 -5.842 -3.244 -1.041 564 HB3 TYR 75 1HB TYR 75 -6.566 -2.867 0.517 565 HD1 TYR 75 1HD TYR 75 -3.740 -2.376 1.854 566 HD2 TYR 75 2HD TYR 75 -5.615 -0.898 -1.672 567 HE1 TYR 75 1HE TYR 75 -2.349 -0.360 1.963 568 HE2 TYR 75 2HE TYR 75 -4.247 1.144 -1.535 569 HH TYR 75 HH TYR 75 -2.732 2.165 1.074 570 H ILE 76 H ILE 76 -5.620 -6.528 1.562 571 HA ILE 76 HA ILE 76 -5.511 -8.010 -0.926 572 HB ILE 76 HB ILE 76 -6.206 -8.962 1.857 573 HG12 ILE 76 2HG1 ILE 76 -3.732 -9.941 1.377 574 HG13 ILE 76 1HG1 ILE 76 -3.634 -8.423 0.493 575 HG21 ILE 76 1HG2 ILE 76 -7.019 -10.531 0.268 576 HG22 ILE 76 2HG2 ILE 76 -5.511 -11.183 0.909 577 HG23 ILE 76 3HG2 ILE 76 -5.537 -10.429 -0.685 578 HD11 ILE 76 3HD1 ILE 76 -3.044 -7.533 2.439 579 HD12 ILE 76 1HD1 ILE 76 -3.610 -8.932 3.351 580 HD13 ILE 76 2HD1 ILE 76 -4.745 -7.668 2.882 581 H SER 77 H SER 77 -7.286 -9.475 -1.535 582 HA SER 77 HA SER 77 -9.897 -8.202 -1.065 583 HB2 SER 77 2HB SER 77 -9.501 -8.090 -3.370 584 HB3 SER 77 1HB SER 77 -8.740 -9.681 -3.413 585 HG SER 77 HG SER 77 -11.465 -9.355 -2.741 586 H VAL 78 H VAL 78 -11.100 -9.247 0.374 587 HA VAL 78 HA VAL 78 -10.687 -12.045 0.936 588 HB VAL 78 HB VAL 78 -11.164 -10.499 2.770 589 HG11 VAL 78 1HG1 VAL 78 -12.950 -9.321 1.104 590 HG12 VAL 78 2HG1 VAL 78 -12.895 -9.071 2.848 591 HG13 VAL 78 3HG1 VAL 78 -14.023 -10.239 2.160 592 HG21 VAL 78 3HG2 VAL 78 -13.053 -11.784 3.814 593 HG22 VAL 78 1HG2 VAL 78 -11.737 -12.772 3.179 594 HG23 VAL 78 2HG2 VAL 78 -13.242 -12.621 2.272 595 H LEU 79 H LEU 79 -11.404 -13.384 -0.624 596 HA LEU 79 HA LEU 79 -14.154 -13.008 -1.608 597 HB2 LEU 79 2HB LEU 79 -12.194 -13.032 -3.241 598 HB3 LEU 79 1HB LEU 79 -12.042 -14.740 -2.873 599 HG LEU 79 HG LEU 79 -14.612 -14.748 -3.535 600 HD11 LEU 79 1HD1 LEU 79 -13.540 -12.204 -4.606 601 HD12 LEU 79 2HD1 LEU 79 -15.176 -12.623 -4.096 602 HD13 LEU 79 3HD1 LEU 79 -14.575 -13.161 -5.664 603 HD21 LEU 79 3HD2 LEU 79 -12.368 -14.668 -5.549 604 HD22 LEU 79 1HD2 LEU 79 -13.950 -15.412 -5.780 605 HD23 LEU 79 2HD2 LEU 79 -12.834 -16.068 -4.583 606 H THR 80 H THR 80 -15.529 -14.204 -0.461 607 HA THR 80 HA THR 80 -14.703 -16.722 0.711 608 HB THR 80 HB THR 80 -16.114 -15.168 1.995 609 HG1 THR 80 1HG THR 80 -17.532 -17.531 1.337 610 HG21 THR 80 3HG2 THR 80 -18.045 -14.294 1.319 611 HG22 THR 80 1HG2 THR 80 -18.594 -15.813 0.611 612 HG23 THR 80 2HG2 THR 80 -17.522 -14.750 -0.303 613 H GLU 81 H GLU 81 -14.609 -18.417 -0.620 614 HA GLU 81 HA GLU 81 -16.712 -18.746 -2.645 615 HB2 GLU 81 2HB GLU 81 -13.864 -19.587 -2.463 616 HB3 GLU 81 1HB GLU 81 -14.968 -20.644 -3.333 617 HG2 GLU 81 2HG GLU 81 -15.641 -18.323 -4.457 618 HG3 GLU 81 1HG GLU 81 -13.974 -17.951 -4.024 619 H ASN 82 H ASN 82 -18.343 -19.656 -1.428 620 HA ASN 82 HA ASN 82 -19.539 -21.303 -0.415 621 HB2 ASN 82 2HB ASN 82 -17.313 -23.149 -1.292 622 HB3 ASN 82 1HB ASN 82 -18.972 -23.595 -0.910 623 HD21 ASN 82 1HD2 ASN 82 -16.825 -22.760 -3.334 624 HD22 ASN 82 2HD2 ASN 82 -17.961 -22.490 -4.606 625 H GLY 83 H GLY 83 -17.540 -19.823 1.103 626 HA2 GLY 83 2HA GLY 83 -17.231 -19.925 3.448 627 HA3 GLY 83 1HA GLY 83 -17.347 -21.675 3.363 628 H LYS 84 H LYS 84 -15.297 -19.468 1.492 629 HA LYS 84 HA LYS 84 -12.933 -20.369 2.923 630 HB2 LYS 84 2HB LYS 84 -13.633 -21.851 0.792 631 HB3 LYS 84 1HB LYS 84 -12.718 -20.594 -0.027 632 HG2 LYS 84 2HG LYS 84 -10.795 -21.066 1.420 633 HG3 LYS 84 1HG LYS 84 -11.716 -22.353 2.202 634 HD2 LYS 84 2HD LYS 84 -10.635 -23.616 0.654 635 HD3 LYS 84 1HD LYS 84 -12.008 -23.122 -0.337 636 HE2 LYS 84 2HE LYS 84 -10.726 -21.375 -1.356 637 HE3 LYS 84 1HE LYS 84 -9.388 -21.638 -0.238 638 HZ1 LYS 84 3HZ LYS 84 -8.637 -22.801 -2.018 639 HZ2 LYS 84 1HZ LYS 84 -10.182 -23.187 -2.586 640 HZ3 LYS 84 2HZ LYS 84 -9.522 -24.038 -1.282 641 H THR 85 H THR 85 -11.957 -18.521 3.403 642 HA THR 85 HA THR 85 -12.070 -16.300 1.492 643 HB THR 85 HB THR 85 -10.941 -15.173 3.647 644 HG1 THR 85 1HG THR 85 -12.588 -17.194 4.751 645 HG21 THR 85 3HG2 THR 85 -13.869 -15.698 3.840 646 HG22 THR 85 1HG2 THR 85 -13.223 -14.731 2.514 647 HG23 THR 85 2HG2 THR 85 -12.964 -14.224 4.184 648 H THR 86 H THR 86 -10.423 -16.252 0.112 649 HA THR 86 HA THR 86 -7.765 -17.097 1.034 650 HB THR 86 HB THR 86 -8.245 -16.513 -1.835 651 HG1 THR 86 1HG THR 86 -9.335 -18.436 -2.153 652 HG21 THR 86 3HG2 THR 86 -6.170 -17.609 -0.622 653 HG22 THR 86 1HG2 THR 86 -6.674 -18.091 -2.242 654 HG23 THR 86 2HG2 THR 86 -7.131 -19.072 -0.850 655 H GLU 87 H GLU 87 -6.127 -15.690 1.201 656 HA GLU 87 HA GLU 87 -6.684 -12.881 0.745 657 HB2 GLU 87 2HB GLU 87 -4.619 -14.436 2.223 658 HB3 GLU 87 1HB GLU 87 -4.194 -12.817 1.687 659 HG2 GLU 87 2HG GLU 87 -5.042 -12.240 3.683 660 HG3 GLU 87 1HG GLU 87 -6.571 -12.302 2.809 661 H THR 88 H THR 88 -6.561 -12.395 -1.388 662 HA THR 88 HA THR 88 -4.068 -13.100 -2.791 663 HB THR 88 HB THR 88 -6.100 -14.065 -3.802 664 HG1 THR 88 1HG THR 88 -5.507 -13.554 -5.810 665 HG21 THR 88 3HG2 THR 88 -7.965 -12.957 -4.292 666 HG22 THR 88 1HG2 THR 88 -7.085 -11.555 -4.901 667 HG23 THR 88 2HG2 THR 88 -7.365 -11.737 -3.169 668 H VAL 89 H VAL 89 -2.730 -11.492 -3.287 669 HA VAL 89 HA VAL 89 -3.027 -8.874 -2.481 670 HB VAL 89 HB VAL 89 -1.259 -8.335 -4.229 671 HG11 VAL 89 1HG1 VAL 89 -0.419 -10.698 -2.608 672 HG12 VAL 89 2HG1 VAL 89 -0.967 -9.230 -1.801 673 HG13 VAL 89 3HG1 VAL 89 0.420 -9.172 -2.888 674 HG21 VAL 89 3HG2 VAL 89 -0.564 -9.849 -5.745 675 HG22 VAL 89 1HG2 VAL 89 -2.163 -10.550 -5.496 676 HG23 VAL 89 2HG2 VAL 89 -0.769 -11.207 -4.638 677 H LEU 90 H LEU 90 -4.464 -7.395 -3.070 678 HA LEU 90 HA LEU 90 -5.569 -7.481 -5.785 679 HB2 LEU 90 2HB LEU 90 -6.827 -7.267 -3.380 680 HB3 LEU 90 1HB LEU 90 -6.703 -5.581 -3.845 681 HG LEU 90 HG LEU 90 -8.839 -6.482 -4.545 682 HD11 LEU 90 1HD1 LEU 90 -8.116 -4.805 -5.998 683 HD12 LEU 90 2HD1 LEU 90 -8.564 -6.134 -7.069 684 HD13 LEU 90 3HD1 LEU 90 -6.865 -5.828 -6.704 685 HD21 LEU 90 3HD2 LEU 90 -7.677 -8.298 -6.557 686 HD22 LEU 90 1HD2 LEU 90 -9.153 -8.450 -5.603 687 HD23 LEU 90 2HD2 LEU 90 -7.591 -8.841 -4.881 688 H ASP 91 H ASP 91 -4.713 -4.927 -3.440 689 HA ASP 91 HA ASP 91 -3.007 -3.582 -5.295 690 HB2 ASP 91 2HB ASP 91 -5.610 -3.078 -5.814 691 HB3 ASP 91 1HB ASP 91 -5.302 -1.839 -4.601 692 H SER 92 H SER 92 -1.643 -2.227 -4.241 693 HA SER 92 HA SER 92 -2.391 -1.197 -1.614 694 HB2 SER 92 2HB SER 92 0.326 -2.320 -1.707 695 HB3 SER 92 1HB SER 92 -0.843 -2.225 -0.382 696 HG SER 92 HG SER 92 -2.021 -3.901 -1.634 697 H GLN 93 H GLN 93 -1.235 0.544 -0.916 698 HA GLN 93 HA GLN 93 0.360 1.916 -2.964 699 HB2 GLN 93 2HB GLN 93 -1.672 2.847 -1.001 700 HB3 GLN 93 1HB GLN 93 -0.297 3.908 -1.271 701 HG2 GLN 93 2HG GLN 93 -1.001 3.309 -3.815 702 HG3 GLN 93 1HG GLN 93 -2.567 3.265 -3.005 703 HE21 GLN 93 1HE2 GLN 93 -2.312 5.204 -1.126 704 HE22 GLN 93 2HE2 GLN 93 -2.103 6.745 -1.881 705 H VAL 94 H VAL 94 2.080 3.408 -1.916 706 HA VAL 94 HA VAL 94 3.511 1.755 -0.018 707 HB VAL 94 HB VAL 94 5.346 3.395 -0.294 708 HG11 VAL 94 1HG1 VAL 94 4.165 1.779 -2.411 709 HG12 VAL 94 2HG1 VAL 94 5.839 1.884 -1.863 710 HG13 VAL 94 3HG1 VAL 94 5.214 3.060 -3.019 711 HG21 VAL 94 3HG2 VAL 94 4.591 4.866 -2.524 712 HG22 VAL 94 1HG2 VAL 94 4.799 5.474 -0.882 713 HG23 VAL 94 2HG2 VAL 94 3.203 4.971 -1.441 714 H THR 95 H THR 95 2.885 1.907 2.018 715 HA THR 95 HA THR 95 2.342 4.575 3.118 716 HB THR 95 HB THR 95 0.900 3.548 4.719 717 HG1 THR 95 1HG THR 95 1.800 1.724 5.380 718 HG21 THR 95 3HG2 THR 95 -0.685 3.421 3.178 719 HG22 THR 95 1HG2 THR 95 -0.246 1.726 2.937 720 HG23 THR 95 2HG2 THR 95 0.480 2.984 1.930 721 H LYS 96 H LYS 96 4.544 4.935 3.374 722 HA LYS 96 HA LYS 96 5.804 5.286 5.505 723 HB2 LYS 96 2HB LYS 96 5.260 3.215 6.591 724 HB3 LYS 96 1HB LYS 96 5.943 2.282 5.270 725 HG2 LYS 96 2HG LYS 96 7.490 2.203 7.067 726 HG3 LYS 96 1HG LYS 96 8.173 3.268 5.840 727 HD2 LYS 96 2HD LYS 96 8.503 4.639 7.603 728 HD3 LYS 96 1HD LYS 96 6.814 5.062 7.318 729 HE2 LYS 96 2HE LYS 96 6.382 3.004 8.902 730 HE3 LYS 96 1HE LYS 96 8.020 3.364 9.448 731 HZ1 LYS 96 3HZ LYS 96 7.385 5.484 10.163 732 HZ2 LYS 96 1HZ LYS 96 6.127 4.476 10.679 733 HZ3 LYS 96 2HZ LYS 96 5.924 5.448 9.310 734 H GLU 97 H GLU 97 6.291 3.204 2.715 735 HA GLU 97 HA GLU 97 7.912 3.111 1.127 736 HB2 GLU 97 2HB GLU 97 7.314 5.496 0.896 737 HB3 GLU 97 1HB GLU 97 8.545 5.908 2.081 738 HG2 GLU 97 2HG GLU 97 9.404 6.338 -0.105 739 HG3 GLU 97 1HG GLU 97 10.256 4.952 0.575 740 H VAL 98 H VAL 98 9.671 1.901 1.235 741 HA VAL 98 HA VAL 98 11.368 1.977 3.571 742 HB VAL 98 HB VAL 98 10.788 -0.186 2.582 743 HG11 VAL 98 1HG1 VAL 98 12.548 -0.128 0.304 744 HG12 VAL 98 2HG1 VAL 98 11.292 1.099 0.150 745 HG13 VAL 98 3HG1 VAL 98 10.849 -0.590 0.397 746 HG21 VAL 98 3HG2 VAL 98 13.225 0.571 3.519 747 HG22 VAL 98 1HG2 VAL 98 13.652 -0.159 1.971 748 HG23 VAL 98 2HG2 VAL 98 12.751 -1.091 3.168 749 H ILE 99 H ILE 99 12.960 3.393 3.748 750 HA ILE 99 HA ILE 99 14.037 4.781 1.486 751 HB ILE 99 HB ILE 99 15.060 4.782 4.327 752 HG12 ILE 99 2HG1 ILE 99 13.742 7.105 4.132 753 HG13 ILE 99 1HG1 ILE 99 12.774 6.157 3.007 754 HG21 ILE 99 1HG2 ILE 99 15.381 6.884 2.195 755 HG22 ILE 99 2HG2 ILE 99 16.588 5.644 2.539 756 HG23 ILE 99 3HG2 ILE 99 16.158 6.824 3.777 757 HD11 ILE 99 3HD1 ILE 99 12.670 6.208 5.835 758 HD12 ILE 99 1HD1 ILE 99 13.170 4.595 5.330 759 HD13 ILE 99 2HD1 ILE 99 11.672 5.289 4.708 760 H ASN 100 H ASN 100 15.833 4.384 0.359 761 HA ASN 100 HA ASN 100 17.344 1.972 0.998 762 HB2 ASN 100 2HB ASN 100 16.950 3.624 -1.463 763 HB3 ASN 100 1HB ASN 100 18.394 2.624 -1.333 764 HD21 ASN 100 1HD2 ASN 100 16.658 2.127 -3.324 765 HD22 ASN 100 2HD2 ASN 100 15.803 0.655 -3.032 766 H GLN 101 H GLN 101 19.509 1.927 1.428 767 HA GLN 101 HA GLN 101 20.679 4.348 2.432 768 HB2 GLN 101 2HB GLN 101 21.007 2.146 3.524 769 HB3 GLN 101 1HB GLN 101 21.912 1.609 2.118 770 HG2 GLN 101 2HG GLN 101 23.763 2.435 2.980 771 HG3 GLN 101 1HG GLN 101 23.050 4.045 2.994 772 HE21 GLN 101 1HE2 GLN 101 23.646 4.853 4.897 773 HE22 GLN 101 2HE2 GLN 101 23.353 4.116 6.432 774 H VAL 102 H VAL 102 21.615 5.802 1.168 775 HA VAL 102 HA VAL 102 22.976 4.889 -1.276 776 HB VAL 102 HB VAL 102 22.052 7.695 -0.661 777 HG11 VAL 102 1HG1 VAL 102 22.300 7.980 -3.112 778 HG12 VAL 102 2HG1 VAL 102 22.990 6.358 -3.196 779 HG13 VAL 102 3HG1 VAL 102 23.821 7.625 -2.293 780 HG21 VAL 102 3HG2 VAL 102 20.159 7.267 -2.134 781 HG22 VAL 102 1HG2 VAL 102 20.135 6.168 -0.755 782 HG23 VAL 102 2HG2 VAL 102 20.676 5.592 -2.332 783 H VAL 103 H VAL 103 25.043 4.506 -0.647 784 HA VAL 103 HA VAL 103 26.482 6.743 0.623 785 HB VAL 103 HB VAL 103 26.311 4.813 2.137 786 HG11 VAL 103 1HG1 VAL 103 27.210 2.686 1.647 787 HG12 VAL 103 2HG1 VAL 103 27.986 3.269 0.174 788 HG13 VAL 103 3HG1 VAL 103 26.230 3.128 0.248 789 HG21 VAL 103 3HG2 VAL 103 28.215 5.804 2.793 790 HG22 VAL 103 1HG2 VAL 103 28.842 5.913 1.149 791 HG23 VAL 103 2HG2 VAL 103 29.002 4.409 2.054 792 H GLU 104 H GLU 104 27.909 7.664 -0.680 793 HA GLU 104 HA GLU 104 28.859 6.223 -3.032 794 HB2 GLU 104 2HB GLU 104 29.424 9.100 -2.329 795 HB3 GLU 104 1HB GLU 104 29.507 8.336 -3.911 796 HG2 GLU 104 2HG GLU 104 26.906 7.910 -3.227 797 HG3 GLU 104 1HG GLU 104 27.225 9.477 -2.485 798 H VAL 105 H VAL 105 30.899 5.529 -3.303 799 HA VAL 105 HA VAL 105 32.824 6.117 -1.152 800 HB VAL 105 HB VAL 105 33.952 3.978 -1.926 801 HG11 VAL 105 1HG1 VAL 105 32.120 4.409 -0.011 802 HG12 VAL 105 2HG1 VAL 105 32.874 2.839 -0.299 803 HG13 VAL 105 3HG1 VAL 105 31.277 3.187 -0.964 804 HG21 VAL 105 3HG2 VAL 105 32.827 3.827 -4.104 805 HG22 VAL 105 1HG2 VAL 105 31.293 3.547 -3.283 806 HG23 VAL 105 2HG2 VAL 105 32.596 2.368 -3.139 807 H GLY 106 H GLY 106 34.544 7.288 -1.683 808 HA2 GLY 106 2HA GLY 106 35.023 8.162 -4.337 809 HA3 GLY 106 1HA GLY 106 36.072 8.438 -2.955 810 H ALA 107 H ALA 107 36.071 7.202 -5.936 811 HA ALA 107 HA ALA 107 38.531 5.865 -5.647 812 HB1 ALA 107 1HB ALA 107 37.706 3.924 -4.822 813 HB2 ALA 107 2HB ALA 107 37.402 3.604 -6.530 814 HB3 ALA 107 3HB ALA 107 36.097 4.193 -5.497 815 HA PRO 108 HA PRO 108 38.517 6.758 -9.971 816 HB2 PRO 108 2HB PRO 108 40.502 5.128 -10.833 817 HB3 PRO 108 1HB PRO 108 40.810 6.583 -9.877 818 HG2 PRO 108 2HG PRO 108 40.679 3.727 -8.990 819 HG3 PRO 108 1HG PRO 108 41.841 4.988 -8.536 820 HD2 PRO 108 2HD PRO 108 39.758 4.277 -6.953 821 HD3 PRO 108 1HD PRO 108 40.408 5.928 -6.995 822 H VAL 109 H VAL 109 37.551 6.059 -11.815 823 HA VAL 109 HA VAL 109 36.430 3.349 -11.768 824 HB VAL 109 HB VAL 109 34.830 5.204 -12.003 825 HG11 VAL 109 1HG1 VAL 109 34.774 6.430 -14.187 826 HG12 VAL 109 2HG1 VAL 109 36.383 5.789 -14.516 827 HG13 VAL 109 3HG1 VAL 109 36.124 6.854 -13.134 828 HG21 VAL 109 3HG2 VAL 109 35.147 3.043 -13.965 829 HG22 VAL 109 1HG2 VAL 109 34.055 4.338 -14.457 830 HG23 VAL 109 2HG2 VAL 109 33.766 3.466 -12.952 831 H THR 110 H THR 110 38.447 5.496 -13.661 832 HA THR 110 HA THR 110 38.649 3.616 -15.861 833 HB THR 110 HB THR 110 40.436 5.999 -15.585 834 HG1 THR 110 1HG THR 110 38.852 7.385 -15.973 835 HG21 THR 110 3HG2 THR 110 38.937 4.852 -17.926 836 HG22 THR 110 1HG2 THR 110 40.650 4.622 -17.577 837 HG23 THR 110 2HG2 THR 110 40.037 6.228 -17.969 838 H HIS 111 H HIS 111 40.847 5.029 -13.441 839 HA HIS 111 HA HIS 111 43.110 3.526 -14.134 840 HB2 HIS 111 2HB HIS 111 42.369 4.624 -11.412 841 HB3 HIS 111 1HB HIS 111 43.982 4.144 -11.931 842 HD1 HIS 111 1HD HIS 111 44.094 6.853 -11.042 843 HD2 HIS 111 2HD HIS 111 42.655 5.996 -14.845 844 HE1 HIS 111 1HE HIS 111 44.316 8.994 -12.344 845 HE2 HIS 111 2HE HIS 111 43.521 8.426 -14.667 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -19.605 -6.464 -19.894 2 H2 MET 1 2HT MET 1 -21.171 -5.805 -20.132 3 H3 MET 1 3HT MET 1 -20.618 -6.154 -18.545 4 HA MET 1 HA MET 1 -18.875 -4.520 -18.814 5 HB2 MET 1 2HB MET 1 -20.347 -4.054 -21.414 6 HB3 MET 1 1HB MET 1 -19.170 -2.933 -20.744 7 HG2 MET 1 2HG MET 1 -17.735 -4.049 -22.045 8 HG3 MET 1 1HG MET 1 -17.733 -5.212 -20.722 9 HE1 MET 1 2HE MET 1 -18.521 -7.759 -21.040 10 HE2 MET 1 3HE MET 1 -17.044 -7.216 -21.837 11 HE3 MET 1 1HE MET 1 -18.175 -8.264 -22.693 12 H GLY 2 H GLY 2 -19.268 -2.615 -17.752 13 HA2 GLY 2 2HA GLY 2 -22.105 -2.029 -17.225 14 HA3 GLY 2 1HA GLY 2 -20.771 -1.640 -16.149 15 H SER 3 H SER 3 -19.010 -0.335 -17.726 16 HA SER 3 HA SER 3 -18.524 1.714 -18.582 17 HB2 SER 3 2HB SER 3 -20.036 0.651 -20.436 18 HB3 SER 3 1HB SER 3 -21.222 1.836 -19.889 19 HG SER 3 HG SER 3 -18.723 2.244 -21.105 20 H SER 4 H SER 4 -18.636 2.605 -16.445 21 HA SER 4 HA SER 4 -20.882 4.478 -16.137 22 HB2 SER 4 2HB SER 4 -19.618 2.774 -13.984 23 HB3 SER 4 1HB SER 4 -20.665 4.152 -13.643 24 HG SER 4 HG SER 4 -22.339 3.099 -14.707 25 H HIS 5 H HIS 5 -17.559 3.694 -15.160 26 HA HIS 5 HA HIS 5 -16.980 6.580 -15.152 27 HB2 HIS 5 2HB HIS 5 -17.053 5.155 -12.867 28 HB3 HIS 5 1HB HIS 5 -15.386 4.853 -13.343 29 HD1 HIS 5 1HD HIS 5 -13.728 6.650 -12.827 30 HD2 HIS 5 2HD HIS 5 -17.651 7.993 -12.555 31 HE1 HIS 5 1HE HIS 5 -13.579 8.975 -11.881 32 HE2 HIS 5 2HE HIS 5 -15.958 9.799 -11.809 33 H HIS 6 H HIS 6 -14.482 6.897 -15.165 34 HA HIS 6 HA HIS 6 -13.270 4.947 -17.008 35 HB2 HIS 6 2HB HIS 6 -13.375 7.947 -17.237 36 HB3 HIS 6 1HB HIS 6 -12.126 7.008 -18.046 37 HD1 HIS 6 1HD HIS 6 -15.771 7.791 -18.164 38 HD2 HIS 6 2HD HIS 6 -13.005 5.485 -20.236 39 HE1 HIS 6 1HE HIS 6 -16.933 7.089 -20.280 40 HE2 HIS 6 2HE HIS 6 -15.270 5.622 -21.477 41 H HIS 7 H HIS 7 -12.139 4.045 -15.240 42 HA HIS 7 HA HIS 7 -10.315 3.748 -13.917 43 HB2 HIS 7 2HB HIS 7 -9.461 5.866 -15.796 44 HB3 HIS 7 1HB HIS 7 -8.513 5.731 -14.319 45 HD1 HIS 7 1HD HIS 7 -9.525 3.716 -17.345 46 HD2 HIS 7 2HD HIS 7 -6.769 3.605 -14.239 47 HE1 HIS 7 1HE HIS 7 -7.944 1.846 -17.917 48 HE2 HIS 7 2HE HIS 7 -6.339 1.740 -15.977 49 H HIS 8 H HIS 8 -10.158 7.290 -14.027 50 HA HIS 8 HA HIS 8 -11.512 7.719 -11.580 51 HB2 HIS 8 2HB HIS 8 -9.096 6.621 -11.090 52 HB3 HIS 8 1HB HIS 8 -8.642 8.320 -11.153 53 HD1 HIS 8 1HD HIS 8 -10.566 5.856 -9.118 54 HD2 HIS 8 2HD HIS 8 -9.622 9.900 -9.050 55 HE1 HIS 8 1HE HIS 8 -11.213 6.658 -6.824 56 HE2 HIS 8 2HE HIS 8 -10.548 9.088 -6.776 57 H HIS 9 H HIS 9 -11.417 8.828 -14.214 58 HA HIS 9 HA HIS 9 -11.506 11.567 -13.612 59 HB2 HIS 9 2HB HIS 9 -8.933 10.939 -13.752 60 HB3 HIS 9 1HB HIS 9 -9.227 11.091 -15.481 61 HD1 HIS 9 1HD HIS 9 -11.430 13.490 -14.530 62 HD2 HIS 9 2HD HIS 9 -7.294 13.300 -14.178 63 HE1 HIS 9 1HE HIS 9 -10.663 15.875 -14.311 64 HE2 HIS 9 2HE HIS 9 -8.151 15.741 -14.188 65 H SER 10 H SER 10 -13.000 12.321 -14.949 66 HA SER 10 HA SER 10 -13.748 10.873 -17.307 67 HB2 SER 10 2HB SER 10 -14.814 13.610 -16.786 68 HB3 SER 10 1HB SER 10 -15.660 12.153 -17.308 69 HG SER 10 HG SER 10 -15.315 11.355 -15.137 70 H SER 11 H SER 11 -12.095 10.971 -18.794 71 HA SER 11 HA SER 11 -11.317 13.643 -19.746 72 HB2 SER 11 2HB SER 11 -9.629 11.736 -18.966 73 HB3 SER 11 1HB SER 11 -9.854 11.199 -20.631 74 HG SER 11 HG SER 11 -8.442 13.310 -19.671 75 H GLY 12 H GLY 12 -13.821 12.474 -20.468 76 HA2 GLY 12 2HA GLY 12 -13.506 11.435 -23.163 77 HA3 GLY 12 1HA GLY 12 -15.023 11.682 -22.309 78 H LEU 13 H LEU 13 -14.738 12.377 -24.967 79 HA LEU 13 HA LEU 13 -15.147 14.078 -26.421 80 HB2 LEU 13 2HB LEU 13 -16.689 14.605 -24.313 81 HB3 LEU 13 1HB LEU 13 -15.646 16.012 -24.220 82 HG LEU 13 HG LEU 13 -17.649 16.573 -25.445 83 HD11 LEU 13 1HD1 LEU 13 -15.233 17.280 -26.194 84 HD12 LEU 13 2HD1 LEU 13 -16.646 17.705 -27.161 85 HD13 LEU 13 3HD1 LEU 13 -15.639 16.334 -27.626 86 HD21 LEU 13 3HD2 LEU 13 -18.565 15.357 -27.139 87 HD22 LEU 13 1HD2 LEU 13 -17.796 14.047 -26.241 88 HD23 LEU 13 2HD2 LEU 13 -17.010 14.715 -27.671 89 H VAL 14 H VAL 14 -12.927 14.152 -27.017 90 HA VAL 14 HA VAL 14 -11.668 16.694 -26.314 91 HB VAL 14 HB VAL 14 -9.425 15.523 -26.216 92 HG11 VAL 14 1HG1 VAL 14 -11.209 14.668 -23.961 93 HG12 VAL 14 2HG1 VAL 14 -10.847 16.369 -24.254 94 HG13 VAL 14 3HG1 VAL 14 -9.541 15.238 -23.902 95 HG21 VAL 14 3HG2 VAL 14 -9.313 13.199 -25.768 96 HG22 VAL 14 1HG2 VAL 14 -10.338 13.382 -27.191 97 HG23 VAL 14 2HG2 VAL 14 -11.065 13.072 -25.614 98 HA PRO 15 HA PRO 15 -10.790 16.883 -30.632 99 HB2 PRO 15 2HB PRO 15 -8.494 18.327 -30.672 100 HB3 PRO 15 1HB PRO 15 -10.067 19.038 -30.290 101 HG2 PRO 15 2HG PRO 15 -7.889 18.145 -28.438 102 HG3 PRO 15 1HG PRO 15 -8.881 19.616 -28.375 103 HD2 PRO 15 2HD PRO 15 -9.383 17.454 -26.825 104 HD3 PRO 15 1HD PRO 15 -10.670 18.520 -27.422 105 H ARG 16 H ARG 16 -8.064 15.958 -28.565 106 HA ARG 16 HA ARG 16 -7.480 13.621 -30.011 107 HB2 ARG 16 2HB ARG 16 -6.703 15.340 -31.676 108 HB3 ARG 16 1HB ARG 16 -5.494 15.845 -30.502 109 HG2 ARG 16 2HG ARG 16 -4.556 13.564 -30.536 110 HG3 ARG 16 1HG ARG 16 -5.722 13.132 -31.787 111 HD2 ARG 16 2HD ARG 16 -3.590 13.669 -32.797 112 HD3 ARG 16 1HD ARG 16 -4.783 14.890 -33.234 113 HE ARG 16 HE ARG 16 -2.442 15.247 -31.559 114 HH11 ARG 16 1HH1 ARG 16 -5.474 16.580 -32.673 115 HH12 ARG 16 2HH1 ARG 16 -5.048 18.207 -32.261 116 HH21 ARG 16 1HH2 ARG 16 -1.888 17.385 -31.018 117 HH22 ARG 16 2HH2 ARG 16 -3.016 18.664 -31.323 118 H GLY 17 H GLY 17 -7.398 12.794 -27.919 119 HA2 GLY 17 2HA GLY 17 -4.853 13.300 -26.546 120 HA3 GLY 17 1HA GLY 17 -6.342 13.449 -25.625 121 H SER 18 H SER 18 -5.984 11.071 -28.149 122 HA SER 18 HA SER 18 -5.207 8.951 -26.367 123 HB2 SER 18 2HB SER 18 -8.059 9.392 -27.083 124 HB3 SER 18 1HB SER 18 -7.471 7.731 -27.132 125 HG SER 18 HG SER 18 -7.912 7.849 -25.064 126 H HIS 19 H HIS 19 -3.580 8.920 -28.049 127 HA HIS 19 HA HIS 19 -4.509 7.657 -30.543 128 HB2 HIS 19 2HB HIS 19 -2.303 8.430 -31.484 129 HB3 HIS 19 1HB HIS 19 -3.419 9.723 -31.058 130 HD1 HIS 19 1HD HIS 19 -0.039 8.470 -30.410 131 HD2 HIS 19 2HD HIS 19 -2.708 11.096 -28.608 132 HE1 HIS 19 1HE HIS 19 1.335 9.821 -28.794 133 HE2 HIS 19 2HE HIS 19 -0.317 11.341 -27.649 134 H MET 20 H MET 20 -2.135 7.523 -27.944 135 HA MET 20 HA MET 20 -0.611 5.366 -28.868 136 HB2 MET 20 2HB MET 20 -0.449 6.988 -26.727 137 HB3 MET 20 1HB MET 20 -1.101 5.553 -25.949 138 HG2 MET 20 2HG MET 20 1.190 5.308 -25.727 139 HG3 MET 20 1HG MET 20 0.797 4.293 -27.114 140 HE1 MET 20 3HE MET 20 3.435 7.875 -26.768 141 HE2 MET 20 1HE MET 20 3.976 6.243 -26.372 142 HE3 MET 20 2HE MET 20 2.576 6.932 -25.549 143 H SER 21 H SER 21 -1.502 3.515 -29.540 144 HA SER 21 HA SER 21 -3.679 2.328 -27.975 145 HB2 SER 21 2HB SER 21 -2.785 1.126 -30.552 146 HB3 SER 21 1HB SER 21 -4.411 1.290 -29.890 147 HG SER 21 HG SER 21 -4.103 2.693 -31.650 148 H LEU 22 H LEU 22 -0.390 1.793 -29.024 149 HA LEU 22 HA LEU 22 -0.143 -0.930 -28.432 150 HB2 LEU 22 2HB LEU 22 2.018 1.139 -28.069 151 HB3 LEU 22 1HB LEU 22 2.226 -0.570 -28.399 152 HG LEU 22 HG LEU 22 1.121 1.499 -30.299 153 HD11 LEU 22 1HD1 LEU 22 3.134 1.535 -31.326 154 HD12 LEU 22 2HD1 LEU 22 3.491 -0.147 -30.931 155 HD13 LEU 22 3HD1 LEU 22 3.701 1.109 -29.709 156 HD21 LEU 22 3HD2 LEU 22 1.222 -1.483 -30.411 157 HD22 LEU 22 1HD2 LEU 22 1.393 -0.543 -31.894 158 HD23 LEU 22 2HD2 LEU 22 -0.063 -0.383 -30.910 159 H ASP 23 H ASP 23 -0.111 1.890 -26.371 160 HA ASP 23 HA ASP 23 0.996 0.661 -24.073 161 HB2 ASP 23 2HB ASP 23 -0.430 3.187 -24.680 162 HB3 ASP 23 1HB ASP 23 -0.505 2.638 -23.007 163 H GLU 24 H GLU 24 0.140 -0.847 -22.817 164 HA GLU 24 HA GLU 24 -2.723 -1.391 -22.981 165 HB2 GLU 24 2HB GLU 24 -0.678 -3.107 -23.073 166 HB3 GLU 24 1HB GLU 24 -0.915 -3.080 -21.331 167 HG2 GLU 24 2HG GLU 24 -2.136 -4.908 -22.356 168 HG3 GLU 24 1HG GLU 24 -3.238 -3.743 -21.623 169 H ASN 25 H ASN 25 -3.870 -1.970 -20.949 170 HA ASN 25 HA ASN 25 -2.848 -0.670 -18.546 171 HB2 ASN 25 2HB ASN 25 -4.445 0.802 -20.154 172 HB3 ASN 25 1HB ASN 25 -5.666 -0.011 -19.180 173 HD21 ASN 25 1HD2 ASN 25 -4.516 -0.169 -16.748 174 HD22 ASN 25 2HD2 ASN 25 -4.222 1.411 -16.114 175 H GLU 26 H GLU 26 -5.990 -1.924 -19.677 176 HA GLU 26 HA GLU 26 -6.008 -3.714 -17.342 177 HB2 GLU 26 2HB GLU 26 -8.509 -3.819 -17.830 178 HB3 GLU 26 1HB GLU 26 -7.887 -2.296 -17.207 179 HG2 GLU 26 2HG GLU 26 -8.349 -1.174 -19.103 180 HG3 GLU 26 1HG GLU 26 -7.965 -2.548 -20.140 181 H VAL 27 H VAL 27 -7.367 -5.753 -17.744 182 HA VAL 27 HA VAL 27 -6.987 -6.803 -20.453 183 HB VAL 27 HB VAL 27 -4.999 -7.500 -19.227 184 HG11 VAL 27 1HG1 VAL 27 -6.447 -9.263 -17.369 185 HG12 VAL 27 2HG1 VAL 27 -6.544 -7.538 -17.014 186 HG13 VAL 27 3HG1 VAL 27 -4.971 -8.326 -17.133 187 HG21 VAL 27 3HG2 VAL 27 -6.307 -9.039 -20.842 188 HG22 VAL 27 1HG2 VAL 27 -6.711 -9.952 -19.389 189 HG23 VAL 27 2HG2 VAL 27 -5.023 -9.735 -19.854 190 H ALA 28 H ALA 28 -9.189 -6.853 -20.797 191 HA ALA 28 HA ALA 28 -11.310 -7.679 -20.759 192 HB1 ALA 28 1HB ALA 28 -9.787 -9.953 -19.531 193 HB2 ALA 28 2HB ALA 28 -10.459 -9.819 -21.155 194 HB3 ALA 28 3HB ALA 28 -11.532 -10.032 -19.772 195 H ALA 29 H ALA 29 -10.399 -5.965 -18.573 196 HA ALA 29 HA ALA 29 -11.169 -5.119 -16.606 197 HB1 ALA 29 1HB ALA 29 -13.597 -6.806 -16.592 198 HB2 ALA 29 2HB ALA 29 -13.366 -5.758 -17.992 199 HB3 ALA 29 3HB ALA 29 -13.421 -5.065 -16.371 200 H ASN 30 H ASN 30 -12.517 -6.098 -14.473 201 HA ASN 30 HA ASN 30 -11.635 -8.722 -13.730 202 HB2 ASN 30 2HB ASN 30 -10.214 -7.899 -11.814 203 HB3 ASN 30 1HB ASN 30 -9.509 -7.678 -13.412 204 HD21 ASN 30 1HD2 ASN 30 -8.468 -6.228 -11.456 205 HD22 ASN 30 2HD2 ASN 30 -8.954 -4.575 -11.563 206 H VAL 31 H VAL 31 -12.620 -5.550 -12.463 207 HA VAL 31 HA VAL 31 -15.062 -6.449 -11.434 208 HB VAL 31 HB VAL 31 -13.678 -7.683 -9.823 209 HG11 VAL 31 1HG1 VAL 31 -11.961 -5.595 -9.931 210 HG12 VAL 31 2HG1 VAL 31 -11.964 -6.813 -8.655 211 HG13 VAL 31 3HG1 VAL 31 -12.780 -5.270 -8.404 212 HG21 VAL 31 3HG2 VAL 31 -14.923 -7.140 -7.933 213 HG22 VAL 31 1HG2 VAL 31 -15.917 -6.535 -9.258 214 HG23 VAL 31 2HG2 VAL 31 -14.932 -5.417 -8.314 215 H GLU 32 H GLU 32 -16.199 -4.799 -10.208 216 HA GLU 32 HA GLU 32 -14.993 -2.128 -10.529 217 HB2 GLU 32 2HB GLU 32 -17.859 -2.993 -10.924 218 HB3 GLU 32 1HB GLU 32 -17.352 -1.311 -10.847 219 HG2 GLU 32 2HG GLU 32 -16.551 -3.355 -12.901 220 HG3 GLU 32 1HG GLU 32 -17.593 -1.952 -13.138 221 H THR 33 H THR 33 -17.219 -4.119 -8.633 222 HA THR 33 HA THR 33 -16.864 -2.241 -6.390 223 HB THR 33 HB THR 33 -19.219 -4.063 -6.922 224 HG1 THR 33 1HG THR 33 -18.975 -2.148 -8.290 225 HG21 THR 33 3HG2 THR 33 -18.832 -1.955 -4.812 226 HG22 THR 33 1HG2 THR 33 -18.947 -3.695 -4.549 227 HG23 THR 33 2HG2 THR 33 -20.341 -2.800 -5.154 228 H ARG 34 H ARG 34 -16.353 -3.056 -4.388 229 HA ARG 34 HA ARG 34 -15.748 -5.939 -4.285 230 HB2 ARG 34 2HB ARG 34 -14.102 -3.602 -3.700 231 HB3 ARG 34 1HB ARG 34 -14.142 -4.745 -2.364 232 HG2 ARG 34 2HG ARG 34 -12.268 -5.147 -3.892 233 HG3 ARG 34 1HG ARG 34 -13.372 -6.522 -3.805 234 HD2 ARG 34 2HD ARG 34 -14.483 -5.580 -5.879 235 HD3 ARG 34 1HD ARG 34 -13.103 -4.487 -6.006 236 HE ARG 34 HE ARG 34 -11.825 -6.240 -6.745 237 HH11 ARG 34 1HH1 ARG 34 -14.770 -7.493 -5.354 238 HH12 ARG 34 2HH1 ARG 34 -14.481 -9.113 -5.890 239 HH21 ARG 34 1HH2 ARG 34 -11.443 -8.370 -7.449 240 HH22 ARG 34 2HH2 ARG 34 -12.592 -9.613 -7.080 241 HA PRO 35 HA PRO 35 -18.383 -6.209 -0.757 242 HB2 PRO 35 2HB PRO 35 -17.233 -8.256 0.602 243 HB3 PRO 35 1HB PRO 35 -18.138 -8.492 -0.898 244 HG2 PRO 35 2HG PRO 35 -15.179 -8.326 -0.477 245 HG3 PRO 35 1HG PRO 35 -16.103 -9.450 -1.493 246 HD2 PRO 35 2HD PRO 35 -14.830 -7.279 -2.499 247 HD3 PRO 35 1HD PRO 35 -16.332 -7.914 -3.197 248 H GLU 36 H GLU 36 -14.913 -6.410 0.040 249 HA GLU 36 HA GLU 36 -15.040 -4.216 1.838 250 HB2 GLU 36 2HB GLU 36 -16.144 -6.059 3.173 251 HB3 GLU 36 1HB GLU 36 -14.600 -6.900 3.149 252 HG2 GLU 36 2HG GLU 36 -14.460 -4.119 4.059 253 HG3 GLU 36 1HG GLU 36 -15.410 -5.189 5.089 254 H LEU 37 H LEU 37 -13.156 -3.297 1.388 255 HA LEU 37 HA LEU 37 -10.899 -4.819 0.486 256 HB2 LEU 37 2HB LEU 37 -11.188 -1.887 1.145 257 HB3 LEU 37 1HB LEU 37 -9.751 -2.606 0.443 258 HG LEU 37 HG LEU 37 -11.593 -3.429 -1.350 259 HD11 LEU 37 1HD1 LEU 37 -12.740 -1.104 0.068 260 HD12 LEU 37 2HD1 LEU 37 -13.539 -2.425 -0.784 261 HD13 LEU 37 3HD1 LEU 37 -12.832 -1.089 -1.693 262 HD21 LEU 37 3HD2 LEU 37 -10.670 -0.668 -1.793 263 HD22 LEU 37 1HD2 LEU 37 -10.444 -2.117 -2.775 264 HD23 LEU 37 2HD2 LEU 37 -9.415 -1.833 -1.371 265 H ILE 38 H ILE 38 -9.178 -5.489 1.591 266 HA ILE 38 HA ILE 38 -9.089 -4.917 4.469 267 HB ILE 38 HB ILE 38 -7.278 -6.968 3.308 268 HG12 ILE 38 2HG1 ILE 38 -10.101 -7.788 3.907 269 HG13 ILE 38 1HG1 ILE 38 -9.686 -7.216 2.295 270 HG21 ILE 38 1HG2 ILE 38 -8.554 -8.006 5.511 271 HG22 ILE 38 2HG2 ILE 38 -8.480 -6.280 5.866 272 HG23 ILE 38 3HG2 ILE 38 -7.000 -7.172 5.510 273 HD11 ILE 38 3HD1 ILE 38 -8.795 -9.167 1.766 274 HD12 ILE 38 1HD1 ILE 38 -9.414 -9.793 3.295 275 HD13 ILE 38 2HD1 ILE 38 -7.772 -9.152 3.204 276 H THR 39 H THR 39 -6.569 -5.261 5.185 277 HA THR 39 HA THR 39 -4.655 -4.012 3.447 278 HB THR 39 HB THR 39 -4.376 -2.130 5.295 279 HG1 THR 39 1HG THR 39 -5.990 -2.278 6.640 280 HG21 THR 39 3HG2 THR 39 -5.583 -2.186 2.741 281 HG22 THR 39 1HG2 THR 39 -4.816 -0.832 3.569 282 HG23 THR 39 2HG2 THR 39 -6.541 -1.131 3.780 283 H ARG 40 H ARG 40 -2.809 -4.885 3.938 284 HA ARG 40 HA ARG 40 -1.992 -5.288 6.698 285 HB2 ARG 40 2HB ARG 40 -1.466 -7.671 5.048 286 HB3 ARG 40 1HB ARG 40 -1.949 -7.557 6.734 287 HG2 ARG 40 2HG ARG 40 -4.275 -7.062 5.933 288 HG3 ARG 40 1HG ARG 40 -3.718 -7.455 4.305 289 HD2 ARG 40 2HD ARG 40 -3.758 -9.273 6.709 290 HD3 ARG 40 1HD ARG 40 -4.756 -9.401 5.261 291 HE ARG 40 HE ARG 40 -2.209 -9.541 4.319 292 HH11 ARG 40 1HH1 ARG 40 -4.003 -11.302 6.739 293 HH12 ARG 40 2HH1 ARG 40 -3.121 -12.774 6.501 294 HH21 ARG 40 1HH2 ARG 40 -1.047 -11.476 4.005 295 HH22 ARG 40 2HH2 ARG 40 -1.443 -12.873 4.950 296 H THR 41 H THR 41 -0.131 -4.195 6.661 297 HA THR 41 HA THR 41 1.449 -4.056 4.250 298 HB THR 41 HB THR 41 1.124 -2.097 5.754 299 HG1 THR 41 1HG THR 41 3.051 -1.369 5.250 300 HG21 THR 41 3HG2 THR 41 2.110 -1.878 7.835 301 HG22 THR 41 1HG2 THR 41 3.143 -3.288 7.607 302 HG23 THR 41 2HG2 THR 41 1.413 -3.497 7.884 303 H GLU 42 H GLU 42 3.195 -5.037 3.746 304 HA GLU 42 HA GLU 42 4.206 -7.097 5.562 305 HB2 GLU 42 2HB GLU 42 5.168 -6.853 2.747 306 HB3 GLU 42 1HB GLU 42 4.891 -8.295 3.713 307 HG2 GLU 42 2HG GLU 42 2.379 -7.565 3.500 308 HG3 GLU 42 1HG GLU 42 2.980 -6.704 2.084 309 H GLU 43 H GLU 43 6.380 -7.253 6.031 310 HA GLU 43 HA GLU 43 7.742 -4.805 6.386 311 HB2 GLU 43 2HB GLU 43 7.917 -7.205 7.584 312 HB3 GLU 43 1HB GLU 43 9.303 -7.325 6.509 313 HG2 GLU 43 2HG GLU 43 8.973 -4.881 8.173 314 HG3 GLU 43 1HG GLU 43 9.551 -6.367 8.927 315 H ILE 44 H ILE 44 8.243 -3.742 4.545 316 HA ILE 44 HA ILE 44 9.694 -5.127 2.418 317 HB ILE 44 HB ILE 44 8.655 -2.290 2.499 318 HG12 ILE 44 2HG1 ILE 44 7.253 -3.786 0.584 319 HG13 ILE 44 1HG1 ILE 44 7.332 -4.822 2.005 320 HG21 ILE 44 1HG2 ILE 44 10.430 -2.363 0.952 321 HG22 ILE 44 2HG2 ILE 44 8.954 -2.489 -0.007 322 HG23 ILE 44 3HG2 ILE 44 9.919 -3.930 0.323 323 HD11 ILE 44 3HD1 ILE 44 6.172 -2.051 1.819 324 HD12 ILE 44 1HD1 ILE 44 6.432 -2.906 3.336 325 HD13 ILE 44 2HD1 ILE 44 5.316 -3.573 2.138 326 HA PRO 45 HA PRO 45 13.335 -3.255 4.376 327 HB2 PRO 45 2HB PRO 45 15.121 -5.069 3.601 328 HB3 PRO 45 1HB PRO 45 13.930 -5.445 4.853 329 HG2 PRO 45 2HG PRO 45 13.932 -6.191 1.955 330 HG3 PRO 45 1HG PRO 45 13.492 -7.174 3.364 331 HD2 PRO 45 2HD PRO 45 11.687 -5.867 1.724 332 HD3 PRO 45 1HD PRO 45 11.358 -6.371 3.392 333 H PHE 46 H PHE 46 15.044 -2.038 3.626 334 HA PHE 46 HA PHE 46 14.974 -1.328 0.819 335 HB2 PHE 46 2HB PHE 46 16.387 0.536 1.446 336 HB3 PHE 46 1HB PHE 46 15.066 0.412 2.599 337 HD1 PHE 46 1HD PHE 46 15.494 -0.530 4.860 338 HD2 PHE 46 2HD PHE 46 18.642 0.314 2.124 339 HE1 PHE 46 1HE PHE 46 17.110 -0.598 6.710 340 HE2 PHE 46 2HE PHE 46 20.267 0.245 3.973 341 HZ PHE 46 HZ PHE 46 19.501 -0.212 6.267 342 H GLU 47 H GLU 47 17.418 -0.604 0.123 343 HA GLU 47 HA GLU 47 19.324 -2.713 0.715 344 HB2 GLU 47 2HB GLU 47 17.677 -3.311 -1.274 345 HB3 GLU 47 1HB GLU 47 18.771 -2.279 -2.185 346 HG2 GLU 47 2HG GLU 47 19.969 -4.124 -2.503 347 HG3 GLU 47 1HG GLU 47 20.503 -3.903 -0.837 348 H VAL 48 H VAL 48 21.165 -1.688 1.063 349 HA VAL 48 HA VAL 48 21.682 0.967 0.229 350 HB VAL 48 HB VAL 48 23.644 -1.097 1.245 351 HG11 VAL 48 1HG1 VAL 48 24.647 1.222 2.097 352 HG12 VAL 48 2HG1 VAL 48 23.857 1.791 0.628 353 HG13 VAL 48 3HG1 VAL 48 25.073 0.517 0.537 354 HG21 VAL 48 3HG2 VAL 48 22.304 -0.979 3.060 355 HG22 VAL 48 1HG2 VAL 48 21.610 0.572 2.582 356 HG23 VAL 48 2HG2 VAL 48 23.198 0.514 3.350 357 H ILE 49 H ILE 49 23.212 1.756 -1.253 358 HA ILE 49 HA ILE 49 23.935 -0.148 -3.387 359 HB ILE 49 HB ILE 49 23.454 2.817 -3.696 360 HG12 ILE 49 2HG1 ILE 49 21.494 1.592 -5.138 361 HG13 ILE 49 1HG1 ILE 49 21.634 0.495 -3.767 362 HG21 ILE 49 1HG2 ILE 49 24.862 2.258 -5.433 363 HG22 ILE 49 2HG2 ILE 49 23.277 1.987 -6.160 364 HG23 ILE 49 3HG2 ILE 49 24.220 0.621 -5.566 365 HD11 ILE 49 3HD1 ILE 49 20.041 2.643 -3.796 366 HD12 ILE 49 1HD1 ILE 49 21.501 3.364 -3.120 367 HD13 ILE 49 2HD1 ILE 49 20.753 1.979 -2.325 368 H LYS 50 H LYS 50 25.922 0.261 -4.530 369 HA LYS 50 HA LYS 50 27.888 1.785 -2.948 370 HB2 LYS 50 2HB LYS 50 29.568 0.102 -3.517 371 HB3 LYS 50 1HB LYS 50 28.220 -0.623 -2.653 372 HG2 LYS 50 2HG LYS 50 27.396 -1.008 -5.178 373 HG3 LYS 50 1HG LYS 50 29.143 -1.034 -5.421 374 HD2 LYS 50 2HD LYS 50 28.164 -2.591 -3.123 375 HD3 LYS 50 1HD LYS 50 27.671 -3.191 -4.707 376 HE2 LYS 50 2HE LYS 50 30.289 -2.680 -5.154 377 HE3 LYS 50 1HE LYS 50 30.332 -3.116 -3.447 378 HZ1 LYS 50 3HZ LYS 50 30.550 -4.943 -5.248 379 HZ2 LYS 50 1HZ LYS 50 28.865 -4.820 -5.345 380 HZ3 LYS 50 2HZ LYS 50 29.603 -5.237 -3.879 381 H LYS 51 H LYS 51 28.335 3.553 -4.099 382 HA LYS 51 HA LYS 51 28.792 3.247 -6.995 383 HB2 LYS 51 2HB LYS 51 26.872 4.735 -6.221 384 HB3 LYS 51 1HB LYS 51 28.101 5.828 -5.599 385 HG2 LYS 51 2HG LYS 51 28.697 6.550 -7.651 386 HG3 LYS 51 1HG LYS 51 28.407 4.982 -8.408 387 HD2 LYS 51 2HD LYS 51 26.799 6.592 -9.229 388 HD3 LYS 51 1HD LYS 51 25.977 5.384 -8.240 389 HE2 LYS 51 2HE LYS 51 25.050 7.385 -7.509 390 HE3 LYS 51 1HE LYS 51 26.303 7.060 -6.311 391 HZ1 LYS 51 3HZ LYS 51 26.107 9.402 -7.344 392 HZ2 LYS 51 1HZ LYS 51 26.920 8.721 -8.662 393 HZ3 LYS 51 2HZ LYS 51 27.643 8.723 -7.133 394 H GLU 52 H GLU 52 30.364 4.860 -7.899 395 HA GLU 52 HA GLU 52 32.628 5.179 -6.041 396 HB2 GLU 52 2HB GLU 52 32.559 4.635 -9.006 397 HB3 GLU 52 1HB GLU 52 34.014 5.175 -8.179 398 HG2 GLU 52 2HG GLU 52 32.701 2.875 -6.934 399 HG3 GLU 52 1HG GLU 52 33.299 2.583 -8.565 400 H ASN 53 H ASN 53 33.631 7.126 -5.865 401 HA ASN 53 HA ASN 53 32.806 9.292 -7.658 402 HB2 ASN 53 2HB ASN 53 32.321 9.107 -4.739 403 HB3 ASN 53 1HB ASN 53 32.887 10.662 -5.342 404 HD21 ASN 53 1HD2 ASN 53 30.805 11.436 -4.632 405 HD22 ASN 53 2HD2 ASN 53 29.431 11.249 -5.661 406 HA PRO 54 HA PRO 54 37.362 9.381 -7.274 407 HB2 PRO 54 2HB PRO 54 37.733 10.811 -9.571 408 HB3 PRO 54 1HB PRO 54 37.557 9.054 -9.532 409 HG2 PRO 54 2HG PRO 54 35.516 11.149 -10.162 410 HG3 PRO 54 1HG PRO 54 35.813 9.598 -10.969 411 HD2 PRO 54 2HD PRO 54 33.796 9.936 -9.212 412 HD3 PRO 54 1HD PRO 54 34.673 8.397 -9.358 413 H ASN 55 H ASN 55 35.001 11.908 -7.599 414 HA ASN 55 HA ASN 55 36.619 14.174 -7.417 415 HB2 ASN 55 2HB ASN 55 34.565 15.237 -6.363 416 HB3 ASN 55 1HB ASN 55 34.326 14.491 -7.940 417 HD21 ASN 55 1HD2 ASN 55 32.851 12.929 -8.152 418 HD22 ASN 55 2HD2 ASN 55 31.945 12.240 -6.852 419 H LEU 56 H LEU 56 35.623 11.883 -4.985 420 HA LEU 56 HA LEU 56 36.271 13.487 -2.724 421 HB2 LEU 56 2HB LEU 56 36.244 10.475 -2.830 422 HB3 LEU 56 1HB LEU 56 35.993 11.500 -1.430 423 HG LEU 56 HG LEU 56 34.081 11.756 -3.697 424 HD11 LEU 56 1HD1 LEU 56 34.158 9.444 -1.771 425 HD12 LEU 56 2HD1 LEU 56 34.182 9.383 -3.533 426 HD13 LEU 56 3HD1 LEU 56 32.727 9.912 -2.689 427 HD21 LEU 56 3HD2 LEU 56 34.223 13.013 -1.368 428 HD22 LEU 56 1HD2 LEU 56 33.327 11.594 -0.831 429 HD23 LEU 56 2HD2 LEU 56 32.679 12.610 -2.117 430 HA PRO 57 HA PRO 57 40.631 12.895 -2.424 431 HB2 PRO 57 2HB PRO 57 40.624 12.471 0.434 432 HB3 PRO 57 1HB PRO 57 41.019 13.938 -0.459 433 HG2 PRO 57 2HG PRO 57 38.805 13.671 1.130 434 HG3 PRO 57 1HG PRO 57 38.910 14.790 -0.242 435 HD2 PRO 57 2HD PRO 57 37.620 12.090 -0.088 436 HD3 PRO 57 1HD PRO 57 37.051 13.568 -0.894 437 H ALA 58 H ALA 58 39.447 10.453 -3.141 438 HA ALA 58 HA ALA 58 39.902 8.231 -3.264 439 HB1 ALA 58 1HB ALA 58 42.204 7.646 -2.042 440 HB2 ALA 58 2HB ALA 58 42.388 9.395 -2.169 441 HB3 ALA 58 3HB ALA 58 42.129 8.429 -3.621 442 H GLY 59 H GLY 59 38.949 6.620 -2.211 443 HA2 GLY 59 2HA GLY 59 37.966 5.432 -0.508 444 HA3 GLY 59 1HA GLY 59 39.477 5.712 0.342 445 H GLN 60 H GLN 60 36.682 7.729 -0.588 446 HA GLN 60 HA GLN 60 36.644 8.750 2.173 447 HB2 GLN 60 2HB GLN 60 36.918 10.235 -0.024 448 HB3 GLN 60 1HB GLN 60 35.162 10.144 0.001 449 HG2 GLN 60 2HG GLN 60 35.687 10.786 2.581 450 HG3 GLN 60 1HG GLN 60 37.004 11.609 1.746 451 HE21 GLN 60 1HE2 GLN 60 33.519 11.291 1.968 452 HE22 GLN 60 2HE2 GLN 60 33.143 12.832 1.287 453 H GLU 61 H GLU 61 34.736 8.821 3.327 454 HA GLU 61 HA GLU 61 32.574 7.148 2.250 455 HB2 GLU 61 2HB GLU 61 31.884 7.054 4.713 456 HB3 GLU 61 1HB GLU 61 33.344 6.190 4.250 457 HG2 GLU 61 2HG GLU 61 33.788 8.954 5.105 458 HG3 GLU 61 1HG GLU 61 33.138 7.891 6.352 459 H ASN 62 H ASN 62 30.618 7.977 1.863 460 HA ASN 62 HA ASN 62 29.783 10.442 3.174 461 HB2 ASN 62 2HB ASN 62 30.932 11.170 1.109 462 HB3 ASN 62 1HB ASN 62 29.838 10.168 0.160 463 HD21 ASN 62 1HD2 ASN 62 29.282 12.128 -0.940 464 HD22 ASN 62 2HD2 ASN 62 28.130 13.212 -0.246 465 H ILE 63 H ILE 63 27.710 10.330 3.745 466 HA ILE 63 HA ILE 63 26.056 8.222 2.536 467 HB ILE 63 HB ILE 63 25.727 9.648 5.179 468 HG12 ILE 63 2HG1 ILE 63 27.621 8.002 4.994 469 HG13 ILE 63 1HG1 ILE 63 26.416 7.597 6.210 470 HG21 ILE 63 1HG2 ILE 63 24.147 7.369 5.195 471 HG22 ILE 63 2HG2 ILE 63 23.881 8.069 3.598 472 HG23 ILE 63 3HG2 ILE 63 23.589 9.035 5.045 473 HD11 ILE 63 3HD1 ILE 63 25.924 6.426 3.573 474 HD12 ILE 63 1HD1 ILE 63 25.841 5.699 5.178 475 HD13 ILE 63 2HD1 ILE 63 27.397 5.875 4.369 476 H ILE 64 H ILE 64 25.297 9.336 0.735 477 HA ILE 64 HA ILE 64 24.205 11.944 0.811 478 HB ILE 64 HB ILE 64 23.504 9.764 -1.158 479 HG12 ILE 64 2HG1 ILE 64 25.926 9.963 -1.032 480 HG13 ILE 64 1HG1 ILE 64 25.349 10.673 -2.537 481 HG21 ILE 64 1HG2 ILE 64 23.134 11.666 -2.689 482 HG22 ILE 64 2HG2 ILE 64 23.433 12.772 -1.348 483 HG23 ILE 64 3HG2 ILE 64 22.047 11.682 -1.301 484 HD11 ILE 64 3HD1 ILE 64 25.438 12.905 -1.332 485 HD12 ILE 64 1HD1 ILE 64 26.977 12.145 -1.737 486 HD13 ILE 64 2HD1 ILE 64 26.362 12.066 -0.087 487 H THR 65 H THR 65 22.886 8.762 1.375 488 HA THR 65 HA THR 65 20.579 9.856 2.670 489 HB THR 65 HB THR 65 20.007 9.869 0.185 490 HG1 THR 65 1HG THR 65 18.382 8.271 1.872 491 HG21 THR 65 3HG2 THR 65 19.804 8.017 -1.051 492 HG22 THR 65 1HG2 THR 65 19.280 7.031 0.314 493 HG23 THR 65 2HG2 THR 65 20.994 7.368 0.078 494 H ALA 66 H ALA 66 20.059 8.551 4.314 495 HA ALA 66 HA ALA 66 21.404 6.013 4.570 496 HB1 ALA 66 1HB ALA 66 20.018 6.033 6.785 497 HB2 ALA 66 2HB ALA 66 19.755 7.725 6.368 498 HB3 ALA 66 3HB ALA 66 21.395 7.114 6.585 499 H GLY 67 H GLY 67 20.562 4.012 4.405 500 HA2 GLY 67 2HA GLY 67 17.953 3.745 3.182 501 HA3 GLY 67 1HA GLY 67 19.107 2.452 3.477 502 H VAL 68 H VAL 68 16.108 3.034 4.092 503 HA VAL 68 HA VAL 68 16.192 1.762 6.716 504 HB VAL 68 HB VAL 68 14.383 4.128 6.233 505 HG11 VAL 68 1HG1 VAL 68 14.803 2.194 8.430 506 HG12 VAL 68 2HG1 VAL 68 13.337 3.027 7.913 507 HG13 VAL 68 3HG1 VAL 68 14.535 3.876 8.890 508 HG21 VAL 68 3HG2 VAL 68 15.841 5.432 7.663 509 HG22 VAL 68 1HG2 VAL 68 16.743 4.841 6.268 510 HG23 VAL 68 2HG2 VAL 68 16.938 4.061 7.838 511 H LYS 69 H LYS 69 14.494 0.399 7.122 512 HA LYS 69 HA LYS 69 13.047 -0.538 4.853 513 HB2 LYS 69 2HB LYS 69 11.982 -2.086 6.525 514 HB3 LYS 69 1HB LYS 69 13.737 -2.154 6.458 515 HG2 LYS 69 2HG LYS 69 12.649 -0.265 8.423 516 HG3 LYS 69 1HG LYS 69 12.290 -1.965 8.734 517 HD2 LYS 69 2HD LYS 69 14.921 -2.098 8.080 518 HD3 LYS 69 1HD LYS 69 14.845 -0.515 8.858 519 HE2 LYS 69 2HE LYS 69 15.329 -2.050 10.580 520 HE3 LYS 69 1HE LYS 69 13.619 -1.658 10.755 521 HZ1 LYS 69 3HZ LYS 69 14.795 -4.119 9.595 522 HZ2 LYS 69 1HZ LYS 69 13.155 -3.726 9.458 523 HZ3 LYS 69 2HZ LYS 69 13.838 -3.988 10.984 524 H GLY 70 H GLY 70 11.219 0.240 4.078 525 HA2 GLY 70 2HA GLY 70 9.584 2.027 5.702 526 HA3 GLY 70 1HA GLY 70 9.421 1.746 3.973 527 H GLU 71 H GLU 71 7.264 1.203 3.844 528 HA GLU 71 HA GLU 71 6.554 -1.424 4.568 529 HB2 GLU 71 2HB GLU 71 6.157 0.506 6.595 530 HB3 GLU 71 1HB GLU 71 4.568 0.153 5.929 531 HG2 GLU 71 2HG GLU 71 5.117 -2.288 6.252 532 HG3 GLU 71 1HG GLU 71 6.521 -1.758 7.175 533 H ARG 72 H ARG 72 4.664 -2.045 3.571 534 HA ARG 72 HA ARG 72 3.226 -0.014 2.050 535 HB2 ARG 72 2HB ARG 72 4.933 -1.111 0.557 536 HB3 ARG 72 1HB ARG 72 4.110 -2.640 0.837 537 HG2 ARG 72 2HG ARG 72 2.189 -1.935 -0.304 538 HG3 ARG 72 1HG ARG 72 2.698 -0.251 -0.273 539 HD2 ARG 72 2HD ARG 72 4.734 -1.755 -1.555 540 HD3 ARG 72 1HD ARG 72 3.187 -2.209 -2.268 541 HE ARG 72 HE ARG 72 3.172 0.537 -2.157 542 HH11 ARG 72 1HH1 ARG 72 5.176 -1.909 -3.631 543 HH12 ARG 72 2HH1 ARG 72 5.635 -0.907 -4.966 544 HH21 ARG 72 1HH2 ARG 72 3.773 1.858 -3.914 545 HH22 ARG 72 2HH2 ARG 72 4.839 1.231 -5.127 546 H THR 73 H THR 73 1.262 -0.129 2.799 547 HA THR 73 HA THR 73 0.290 -2.511 4.055 548 HB THR 73 HB THR 73 -1.305 -0.086 3.232 549 HG1 THR 73 1HG THR 73 -0.323 0.886 4.796 550 HG21 THR 73 3HG2 THR 73 -2.026 -1.598 5.624 551 HG22 THR 73 1HG2 THR 73 -2.263 -2.442 4.093 552 HG23 THR 73 2HG2 THR 73 -3.042 -0.881 4.372 553 H HIS 74 H HIS 74 -0.692 -4.154 3.155 554 HA HIS 74 HA HIS 74 -1.417 -3.880 0.356 555 HB2 HIS 74 2HB HIS 74 -0.115 -5.987 1.927 556 HB3 HIS 74 1HB HIS 74 -1.231 -6.545 0.661 557 HD1 HIS 74 1HD HIS 74 1.562 -4.092 1.129 558 HD2 HIS 74 2HD HIS 74 -0.135 -6.454 -1.828 559 HE1 HIS 74 1HE HIS 74 2.930 -3.660 -0.949 560 HE2 HIS 74 2HE HIS 74 1.671 -4.860 -2.768 561 H TYR 75 H TYR 75 -3.332 -3.746 -0.204 562 HA TYR 75 HA TYR 75 -5.481 -4.491 1.576 563 HB2 TYR 75 2HB TYR 75 -6.081 -3.320 -1.085 564 HB3 TYR 75 1HB TYR 75 -6.737 -2.912 0.495 565 HD1 TYR 75 1HD TYR 75 -3.854 -2.493 1.726 566 HD2 TYR 75 2HD TYR 75 -5.811 -0.982 -1.742 567 HE1 TYR 75 1HE TYR 75 -2.407 -0.514 1.772 568 HE2 TYR 75 2HE TYR 75 -4.383 1.024 -1.665 569 HH TYR 75 HH TYR 75 -2.969 2.182 0.605 570 H ILE 76 H ILE 76 -5.844 -6.614 1.524 571 HA ILE 76 HA ILE 76 -5.909 -8.063 -0.994 572 HB ILE 76 HB ILE 76 -6.378 -8.995 1.842 573 HG12 ILE 76 2HG1 ILE 76 -4.154 -10.160 1.405 574 HG13 ILE 76 1HG1 ILE 76 -4.003 -9.127 -0.015 575 HG21 ILE 76 1HG2 ILE 76 -7.581 -10.467 0.410 576 HG22 ILE 76 2HG2 ILE 76 -6.081 -11.280 0.850 577 HG23 ILE 76 3HG2 ILE 76 -6.246 -10.537 -0.740 578 HD11 ILE 76 3HD1 ILE 76 -4.584 -7.770 2.537 579 HD12 ILE 76 1HD1 ILE 76 -3.530 -7.296 1.206 580 HD13 ILE 76 2HD1 ILE 76 -2.989 -8.504 2.371 581 H SER 77 H SER 77 -7.765 -9.429 -1.555 582 HA SER 77 HA SER 77 -10.286 -8.048 -0.956 583 HB2 SER 77 2HB SER 77 -9.743 -8.133 -3.324 584 HB3 SER 77 1HB SER 77 -9.530 -9.882 -3.244 585 HG SER 77 HG SER 77 -11.763 -8.525 -3.691 586 H VAL 78 H VAL 78 -11.797 -9.007 0.237 587 HA VAL 78 HA VAL 78 -11.347 -11.673 1.242 588 HB VAL 78 HB VAL 78 -13.384 -11.280 2.590 589 HG11 VAL 78 1HG1 VAL 78 -11.338 -9.065 2.646 590 HG12 VAL 78 2HG1 VAL 78 -11.241 -10.613 3.485 591 HG13 VAL 78 3HG1 VAL 78 -12.467 -9.433 3.950 592 HG21 VAL 78 3HG2 VAL 78 -13.734 -9.132 0.665 593 HG22 VAL 78 1HG2 VAL 78 -13.873 -8.572 2.332 594 HG23 VAL 78 2HG2 VAL 78 -14.905 -9.879 1.752 595 H LEU 79 H LEU 79 -11.820 -13.315 -0.082 596 HA LEU 79 HA LEU 79 -14.373 -13.230 -1.546 597 HB2 LEU 79 2HB LEU 79 -12.145 -13.417 -2.813 598 HB3 LEU 79 1HB LEU 79 -12.073 -15.054 -2.190 599 HG LEU 79 HG LEU 79 -12.961 -14.908 -4.502 600 HD11 LEU 79 1HD1 LEU 79 -13.691 -16.578 -2.556 601 HD12 LEU 79 2HD1 LEU 79 -14.359 -16.662 -4.187 602 HD13 LEU 79 3HD1 LEU 79 -15.263 -15.857 -2.903 603 HD21 LEU 79 3HD2 LEU 79 -14.188 -12.705 -3.935 604 HD22 LEU 79 1HD2 LEU 79 -15.476 -13.761 -3.356 605 HD23 LEU 79 2HD2 LEU 79 -14.953 -13.848 -5.038 606 H THR 80 H THR 80 -15.891 -14.701 -1.092 607 HA THR 80 HA THR 80 -15.256 -16.735 0.917 608 HB THR 80 HB THR 80 -17.915 -16.910 0.741 609 HG1 THR 80 1HG THR 80 -18.841 -15.200 -0.087 610 HG21 THR 80 3HG2 THR 80 -16.456 -14.707 2.176 611 HG22 THR 80 1HG2 THR 80 -16.826 -16.317 2.793 612 HG23 THR 80 2HG2 THR 80 -18.130 -15.173 2.475 613 H GLU 81 H GLU 81 -15.406 -18.881 0.538 614 HA GLU 81 HA GLU 81 -16.743 -19.883 -1.829 615 HB2 GLU 81 2HB GLU 81 -14.298 -19.217 -2.392 616 HB3 GLU 81 1HB GLU 81 -13.862 -20.649 -1.469 617 HG2 GLU 81 2HG GLU 81 -14.040 -21.726 -3.407 618 HG3 GLU 81 1HG GLU 81 -15.781 -21.623 -3.141 619 H ASN 82 H ASN 82 -17.915 -21.514 -1.087 620 HA ASN 82 HA ASN 82 -18.576 -23.366 0.056 621 HB2 ASN 82 2HB ASN 82 -15.593 -23.846 0.210 622 HB3 ASN 82 1HB ASN 82 -16.823 -25.035 0.623 623 HD21 ASN 82 1HD2 ASN 82 -18.165 -25.852 -1.035 624 HD22 ASN 82 2HD2 ASN 82 -17.659 -25.811 -2.687 625 H GLY 83 H GLY 83 -18.255 -20.908 1.499 626 HA2 GLY 83 2HA GLY 83 -18.537 -20.237 3.685 627 HA3 GLY 83 1HA GLY 83 -18.454 -21.927 4.158 628 H LYS 84 H LYS 84 -15.913 -20.374 2.333 629 HA LYS 84 HA LYS 84 -14.239 -20.313 4.754 630 HB2 LYS 84 2HB LYS 84 -13.686 -21.578 2.097 631 HB3 LYS 84 1HB LYS 84 -12.351 -20.930 3.039 632 HG2 LYS 84 2HG LYS 84 -14.303 -22.827 4.277 633 HG3 LYS 84 1HG LYS 84 -12.973 -23.421 3.280 634 HD2 LYS 84 2HD LYS 84 -11.420 -22.942 4.842 635 HD3 LYS 84 1HD LYS 84 -12.214 -21.437 5.313 636 HE2 LYS 84 2HE LYS 84 -13.634 -23.921 6.022 637 HE3 LYS 84 1HE LYS 84 -12.114 -23.637 6.870 638 HZ1 LYS 84 3HZ LYS 84 -13.134 -21.281 7.206 639 HZ2 LYS 84 1HZ LYS 84 -13.598 -22.558 8.215 640 HZ3 LYS 84 2HZ LYS 84 -14.602 -22.078 6.941 641 H THR 85 H THR 85 -12.253 -18.965 4.463 642 HA THR 85 HA THR 85 -12.924 -16.574 2.887 643 HB THR 85 HB THR 85 -10.816 -16.412 4.959 644 HG1 THR 85 1HG THR 85 -12.116 -16.679 6.636 645 HG21 THR 85 3HG2 THR 85 -13.114 -14.616 5.081 646 HG22 THR 85 1HG2 THR 85 -12.231 -14.567 3.555 647 HG23 THR 85 2HG2 THR 85 -11.386 -14.261 5.074 648 H THR 86 H THR 86 -11.770 -16.208 1.124 649 HA THR 86 HA THR 86 -9.166 -17.525 0.831 650 HB THR 86 HB THR 86 -10.528 -16.108 -1.420 651 HG1 THR 86 1HG THR 86 -11.764 -17.976 -1.803 652 HG21 THR 86 3HG2 THR 86 -8.482 -17.047 -2.061 653 HG22 THR 86 1HG2 THR 86 -9.712 -18.172 -2.636 654 HG23 THR 86 2HG2 THR 86 -8.795 -18.540 -1.175 655 H GLU 87 H GLU 87 -7.346 -16.376 0.060 656 HA GLU 87 HA GLU 87 -7.505 -13.460 0.462 657 HB2 GLU 87 2HB GLU 87 -4.948 -13.826 1.001 658 HB3 GLU 87 1HB GLU 87 -6.175 -14.045 2.239 659 HG2 GLU 87 2HG GLU 87 -4.729 -15.869 2.459 660 HG3 GLU 87 1HG GLU 87 -6.152 -16.502 1.637 661 H THR 88 H THR 88 -7.070 -12.296 -1.275 662 HA THR 88 HA THR 88 -5.065 -13.217 -3.185 663 HB THR 88 HB THR 88 -7.899 -12.498 -3.958 664 HG1 THR 88 1HG THR 88 -8.155 -14.561 -3.867 665 HG21 THR 88 3HG2 THR 88 -5.428 -12.706 -5.575 666 HG22 THR 88 1HG2 THR 88 -6.849 -11.683 -5.793 667 HG23 THR 88 2HG2 THR 88 -6.912 -13.389 -6.239 668 H VAL 89 H VAL 89 -3.729 -11.597 -3.625 669 HA VAL 89 HA VAL 89 -4.046 -8.995 -2.662 670 HB VAL 89 HB VAL 89 -1.856 -9.951 -3.225 671 HG11 VAL 89 1HG1 VAL 89 -2.981 -10.779 -5.542 672 HG12 VAL 89 2HG1 VAL 89 -1.242 -10.672 -5.267 673 HG13 VAL 89 3HG1 VAL 89 -2.086 -9.365 -6.098 674 HG21 VAL 89 3HG2 VAL 89 -2.355 -7.480 -4.874 675 HG22 VAL 89 1HG2 VAL 89 -0.854 -7.965 -4.085 676 HG23 VAL 89 2HG2 VAL 89 -2.243 -7.478 -3.115 677 H LEU 90 H LEU 90 -5.000 -7.203 -3.438 678 HA LEU 90 HA LEU 90 -6.133 -7.342 -6.153 679 HB2 LEU 90 2HB LEU 90 -7.480 -7.058 -3.762 680 HB3 LEU 90 1HB LEU 90 -7.368 -5.409 -4.344 681 HG LEU 90 HG LEU 90 -8.389 -6.162 -6.499 682 HD11 LEU 90 1HD1 LEU 90 -8.254 -8.369 -6.860 683 HD12 LEU 90 2HD1 LEU 90 -9.727 -8.447 -5.893 684 HD13 LEU 90 3HD1 LEU 90 -8.162 -8.751 -5.139 685 HD21 LEU 90 3HD2 LEU 90 -10.644 -6.833 -5.153 686 HD22 LEU 90 1HD2 LEU 90 -10.052 -5.184 -5.349 687 HD23 LEU 90 2HD2 LEU 90 -9.698 -6.077 -3.871 688 H ASP 91 H ASP 91 -5.102 -4.953 -3.701 689 HA ASP 91 HA ASP 91 -3.401 -3.594 -5.533 690 HB2 ASP 91 2HB ASP 91 -5.981 -2.947 -5.991 691 HB3 ASP 91 1HB ASP 91 -5.599 -1.774 -4.730 692 H SER 92 H SER 92 -1.963 -2.337 -4.469 693 HA SER 92 HA SER 92 -2.604 -1.348 -1.801 694 HB2 SER 92 2HB SER 92 0.051 -2.614 -2.007 695 HB3 SER 92 1HB SER 92 -1.044 -2.442 -0.629 696 HG SER 92 HG SER 92 -2.386 -4.037 -1.857 697 H GLN 93 H GLN 93 -1.480 0.401 -1.164 698 HA GLN 93 HA GLN 93 0.192 1.687 -3.205 699 HB2 GLN 93 2HB GLN 93 -1.779 2.715 -1.210 700 HB3 GLN 93 1HB GLN 93 -0.395 3.734 -1.586 701 HG2 GLN 93 2HG GLN 93 -2.495 2.712 -3.480 702 HG3 GLN 93 1HG GLN 93 -2.219 4.379 -2.977 703 HE21 GLN 93 1HE2 GLN 93 -1.744 2.216 -5.401 704 HE22 GLN 93 2HE2 GLN 93 -0.415 2.968 -6.207 705 H VAL 94 H VAL 94 1.964 3.117 -2.182 706 HA VAL 94 HA VAL 94 3.322 1.445 -0.246 707 HB VAL 94 HB VAL 94 4.584 2.326 -2.154 708 HG11 VAL 94 1HG1 VAL 94 3.191 4.635 -1.784 709 HG12 VAL 94 2HG1 VAL 94 4.637 4.479 -2.781 710 HG13 VAL 94 3HG1 VAL 94 4.768 5.062 -1.122 711 HG21 VAL 94 3HG2 VAL 94 5.667 1.863 0.063 712 HG22 VAL 94 1HG2 VAL 94 5.587 3.595 0.387 713 HG23 VAL 94 2HG2 VAL 94 6.538 2.996 -0.971 714 H THR 95 H THR 95 2.719 1.682 1.790 715 HA THR 95 HA THR 95 2.337 4.407 2.819 716 HB THR 95 HB THR 95 0.819 3.540 4.419 717 HG1 THR 95 1HG THR 95 1.743 1.732 5.180 718 HG21 THR 95 3HG2 THR 95 -0.775 3.336 2.900 719 HG22 THR 95 1HG2 THR 95 -0.355 1.627 2.732 720 HG23 THR 95 2HG2 THR 95 0.389 2.832 1.676 721 H LYS 96 H LYS 96 4.571 4.623 3.049 722 HA LYS 96 HA LYS 96 5.785 4.886 5.277 723 HB2 LYS 96 2HB LYS 96 5.607 1.945 4.909 724 HB3 LYS 96 1HB LYS 96 7.121 2.577 5.529 725 HG2 LYS 96 2HG LYS 96 4.863 3.747 6.894 726 HG3 LYS 96 1HG LYS 96 4.832 1.984 6.984 727 HD2 LYS 96 2HD LYS 96 6.060 2.850 8.869 728 HD3 LYS 96 1HD LYS 96 7.178 2.029 7.779 729 HE2 LYS 96 2HE LYS 96 8.278 3.930 7.266 730 HE3 LYS 96 1HE LYS 96 6.807 4.902 7.270 731 HZ1 LYS 96 3HZ LYS 96 6.970 5.309 9.499 732 HZ2 LYS 96 1HZ LYS 96 8.612 5.223 9.100 733 HZ3 LYS 96 2HZ LYS 96 7.848 3.900 9.824 734 H GLU 97 H GLU 97 6.231 3.143 2.278 735 HA GLU 97 HA GLU 97 7.846 3.184 0.684 736 HB2 GLU 97 2HB GLU 97 8.543 5.879 1.852 737 HB3 GLU 97 1HB GLU 97 8.877 5.314 0.220 738 HG2 GLU 97 2HG GLU 97 6.715 5.588 -0.470 739 HG3 GLU 97 1HG GLU 97 6.056 5.379 1.152 740 H VAL 98 H VAL 98 9.520 1.861 0.783 741 HA VAL 98 HA VAL 98 11.337 1.911 3.028 742 HB VAL 98 HB VAL 98 10.623 -0.238 2.040 743 HG11 VAL 98 1HG1 VAL 98 12.432 -0.172 -0.229 744 HG12 VAL 98 2HG1 VAL 98 11.109 0.984 -0.390 745 HG13 VAL 98 3HG1 VAL 98 10.760 -0.725 -0.133 746 HG21 VAL 98 3HG2 VAL 98 12.557 -1.230 2.599 747 HG22 VAL 98 1HG2 VAL 98 13.044 0.408 3.029 748 HG23 VAL 98 2HG2 VAL 98 13.501 -0.263 1.466 749 H ILE 99 H ILE 99 12.779 3.502 3.063 750 HA ILE 99 HA ILE 99 13.878 4.628 0.652 751 HB ILE 99 HB ILE 99 13.434 6.053 2.591 752 HG12 ILE 99 2HG1 ILE 99 16.399 6.148 2.412 753 HG13 ILE 99 1HG1 ILE 99 15.502 6.265 0.901 754 HG21 ILE 99 1HG2 ILE 99 14.389 4.051 4.115 755 HG22 ILE 99 2HG2 ILE 99 14.230 5.717 4.670 756 HG23 ILE 99 3HG2 ILE 99 15.788 5.124 4.094 757 HD11 ILE 99 3HD1 ILE 99 15.853 8.216 3.031 758 HD12 ILE 99 1HD1 ILE 99 14.178 8.035 2.508 759 HD13 ILE 99 2HD1 ILE 99 15.428 8.445 1.334 760 H ASN 100 H ASN 100 15.779 4.219 -0.290 761 HA ASN 100 HA ASN 100 17.383 2.032 0.778 762 HB2 ASN 100 2HB ASN 100 17.450 3.444 -1.896 763 HB3 ASN 100 1HB ASN 100 18.499 2.100 -1.452 764 HD21 ASN 100 1HD2 ASN 100 17.316 1.426 -3.532 765 HD22 ASN 100 2HD2 ASN 100 15.892 0.477 -3.299 766 H GLN 101 H GLN 101 19.759 2.187 0.678 767 HA GLN 101 HA GLN 101 20.620 4.792 1.688 768 HB2 GLN 101 2HB GLN 101 21.011 2.543 2.901 769 HB3 GLN 101 1HB GLN 101 22.278 2.285 1.711 770 HG2 GLN 101 2HG GLN 101 22.483 4.903 2.907 771 HG3 GLN 101 1HG GLN 101 22.491 3.630 4.128 772 HE21 GLN 101 1HE2 GLN 101 24.471 3.103 4.673 773 HE22 GLN 101 2HE2 GLN 101 25.829 2.981 3.611 774 H VAL 102 H VAL 102 22.244 5.981 0.783 775 HA VAL 102 HA VAL 102 23.397 4.969 -1.734 776 HB VAL 102 HB VAL 102 22.465 7.793 -1.188 777 HG11 VAL 102 1HG1 VAL 102 23.142 8.337 -3.415 778 HG12 VAL 102 2HG1 VAL 102 23.592 6.663 -3.745 779 HG13 VAL 102 3HG1 VAL 102 24.524 7.617 -2.591 780 HG21 VAL 102 3HG2 VAL 102 21.415 5.886 -3.261 781 HG22 VAL 102 1HG2 VAL 102 20.717 7.415 -2.725 782 HG23 VAL 102 2HG2 VAL 102 20.713 6.019 -1.648 783 H VAL 103 H VAL 103 25.526 4.811 -1.599 784 HA VAL 103 HA VAL 103 27.009 6.825 -0.050 785 HB VAL 103 HB VAL 103 28.642 4.951 0.516 786 HG11 VAL 103 1HG1 VAL 103 25.969 5.421 1.706 787 HG12 VAL 103 2HG1 VAL 103 27.575 5.668 2.391 788 HG13 VAL 103 3HG1 VAL 103 26.893 4.045 2.305 789 HG21 VAL 103 3HG2 VAL 103 27.452 3.394 -1.165 790 HG22 VAL 103 1HG2 VAL 103 26.299 3.121 0.142 791 HG23 VAL 103 2HG2 VAL 103 28.002 2.720 0.369 792 H GLU 104 H GLU 104 29.016 7.411 -0.856 793 HA GLU 104 HA GLU 104 29.632 6.392 -3.552 794 HB2 GLU 104 2HB GLU 104 30.381 9.121 -2.514 795 HB3 GLU 104 1HB GLU 104 30.402 8.552 -4.178 796 HG2 GLU 104 2HG GLU 104 27.933 8.969 -2.507 797 HG3 GLU 104 1HG GLU 104 28.540 10.071 -3.742 798 H VAL 105 H VAL 105 31.298 5.033 -3.397 799 HA VAL 105 HA VAL 105 33.359 5.422 -1.390 800 HB VAL 105 HB VAL 105 33.230 3.278 -3.511 801 HG11 VAL 105 1HG1 VAL 105 34.958 2.256 -2.465 802 HG12 VAL 105 2HG1 VAL 105 34.476 2.832 -0.869 803 HG13 VAL 105 3HG1 VAL 105 35.329 3.910 -1.975 804 HG21 VAL 105 3HG2 VAL 105 32.440 1.994 -1.304 805 HG22 VAL 105 1HG2 VAL 105 31.309 2.738 -2.433 806 HG23 VAL 105 2HG2 VAL 105 31.768 3.587 -0.958 807 H GLY 106 H GLY 106 34.923 6.839 -1.811 808 HA2 GLY 106 2HA GLY 106 35.618 7.806 -4.350 809 HA3 GLY 106 1HA GLY 106 36.603 7.962 -2.902 810 H ALA 107 H ALA 107 36.971 7.157 -5.900 811 HA ALA 107 HA ALA 107 38.428 4.648 -5.458 812 HB1 ALA 107 1HB ALA 107 38.267 4.214 -7.735 813 HB2 ALA 107 2HB ALA 107 38.025 5.913 -8.143 814 HB3 ALA 107 3HB ALA 107 36.730 4.998 -7.370 815 HA PRO 108 HA PRO 108 42.399 6.556 -5.445 816 HB2 PRO 108 2HB PRO 108 43.800 4.718 -6.967 817 HB3 PRO 108 1HB PRO 108 43.466 4.558 -5.241 818 HG2 PRO 108 2HG PRO 108 42.056 3.329 -7.568 819 HG3 PRO 108 1HG PRO 108 42.433 2.628 -5.985 820 HD2 PRO 108 2HD PRO 108 39.966 3.497 -6.593 821 HD3 PRO 108 1HD PRO 108 40.636 3.663 -4.957 822 H VAL 109 H VAL 109 42.228 4.964 -8.625 823 HA VAL 109 HA VAL 109 41.803 7.270 -10.153 824 HB VAL 109 HB VAL 109 43.996 7.974 -9.303 825 HG11 VAL 109 1HG1 VAL 109 44.833 5.591 -9.051 826 HG12 VAL 109 2HG1 VAL 109 45.989 6.776 -9.660 827 HG13 VAL 109 3HG1 VAL 109 45.209 5.651 -10.773 828 HG21 VAL 109 3HG2 VAL 109 43.310 8.684 -11.530 829 HG22 VAL 109 1HG2 VAL 109 44.030 7.233 -12.228 830 HG23 VAL 109 2HG2 VAL 109 45.056 8.444 -11.462 831 H THR 110 H THR 110 43.519 4.180 -10.003 832 HA THR 110 HA THR 110 42.957 3.668 -12.817 833 HB THR 110 HB THR 110 45.170 3.078 -12.000 834 HG1 THR 110 1HG THR 110 45.165 0.894 -12.662 835 HG21 THR 110 3HG2 THR 110 45.186 2.521 -9.805 836 HG22 THR 110 1HG2 THR 110 45.141 0.902 -10.503 837 HG23 THR 110 2HG2 THR 110 43.659 1.643 -9.899 838 H HIS 111 H HIS 111 41.921 1.683 -13.498 839 HA HIS 111 HA HIS 111 40.181 0.218 -13.521 840 HB2 HIS 111 2HB HIS 111 41.259 -0.021 -10.759 841 HB3 HIS 111 1HB HIS 111 39.676 -0.727 -11.067 842 HD1 HIS 111 1HD HIS 111 42.315 -0.780 -13.717 843 HD2 HIS 111 2HD HIS 111 40.660 -3.335 -10.890 844 HE1 HIS 111 1HE HIS 111 43.169 -3.071 -14.303 845 HE2 HIS 111 2HE HIS 111 42.224 -4.588 -12.526 Start of MODEL 6 1 H1 MET 1 1HT MET 1 15.089 15.660 -18.090 2 H2 MET 1 2HT MET 1 14.164 17.043 -18.517 3 H3 MET 1 3HT MET 1 14.130 15.644 -19.510 4 HA MET 1 HA MET 1 12.180 16.024 -18.039 5 HB2 MET 1 2HB MET 1 12.165 13.568 -17.417 6 HB3 MET 1 1HB MET 1 12.487 13.924 -19.108 7 HG2 MET 1 2HG MET 1 14.819 13.505 -18.827 8 HG3 MET 1 1HG MET 1 14.635 13.375 -17.078 9 HE1 MET 1 2HE MET 1 14.752 11.608 -15.990 10 HE2 MET 1 3HE MET 1 14.688 9.928 -16.523 11 HE3 MET 1 1HE MET 1 13.214 10.745 -16.006 12 H GLY 2 H GLY 2 14.148 17.429 -16.552 13 HA2 GLY 2 2HA GLY 2 13.429 16.498 -13.877 14 HA3 GLY 2 1HA GLY 2 15.143 16.649 -14.232 15 H SER 3 H SER 3 12.695 18.801 -15.524 16 HA SER 3 HA SER 3 13.964 21.007 -14.067 17 HB2 SER 3 2HB SER 3 13.663 20.954 -16.647 18 HB3 SER 3 1HB SER 3 11.981 21.359 -16.300 19 HG SER 3 HG SER 3 13.288 23.220 -16.627 20 H SER 4 H SER 4 12.028 22.911 -14.107 21 HA SER 4 HA SER 4 10.475 22.286 -11.857 22 HB2 SER 4 2HB SER 4 11.051 24.583 -12.329 23 HB3 SER 4 1HB SER 4 10.203 24.525 -13.874 24 HG SER 4 HG SER 4 8.982 24.197 -11.332 25 H HIS 5 H HIS 5 9.081 23.283 -14.973 26 HA HIS 5 HA HIS 5 6.927 21.325 -14.526 27 HB2 HIS 5 2HB HIS 5 6.769 23.782 -16.273 28 HB3 HIS 5 1HB HIS 5 5.442 22.770 -15.713 29 HD1 HIS 5 1HD HIS 5 6.460 25.974 -15.170 30 HD2 HIS 5 2HD HIS 5 5.842 22.815 -12.543 31 HE1 HIS 5 1HE HIS 5 6.079 27.035 -12.922 32 HE2 HIS 5 2HE HIS 5 5.621 25.107 -11.365 33 H HIS 6 H HIS 6 6.478 19.830 -16.049 34 HA HIS 6 HA HIS 6 7.694 20.077 -18.698 35 HB2 HIS 6 2HB HIS 6 8.360 18.042 -16.646 36 HB3 HIS 6 1HB HIS 6 8.136 17.449 -18.288 37 HD1 HIS 6 1HD HIS 6 10.279 17.308 -19.492 38 HD2 HIS 6 2HD HIS 6 10.234 20.481 -16.809 39 HE1 HIS 6 1HE HIS 6 12.533 18.400 -19.706 40 HE2 HIS 6 2HE HIS 6 12.450 20.373 -18.139 41 H HIS 7 H HIS 7 6.105 17.405 -16.970 42 HA HIS 7 HA HIS 7 3.558 17.742 -18.101 43 HB2 HIS 7 2HB HIS 7 3.574 15.913 -19.764 44 HB3 HIS 7 1HB HIS 7 4.634 17.240 -20.224 45 HD1 HIS 7 1HD HIS 7 7.228 16.801 -19.994 46 HD2 HIS 7 2HD HIS 7 4.807 13.468 -19.446 47 HE1 HIS 7 1HE HIS 7 8.765 14.818 -20.167 48 HE2 HIS 7 2HE HIS 7 7.292 12.817 -19.747 49 H HIS 8 H HIS 8 2.696 17.079 -16.205 50 HA HIS 8 HA HIS 8 2.381 14.336 -15.696 51 HB2 HIS 8 2HB HIS 8 4.825 14.897 -14.902 52 HB3 HIS 8 1HB HIS 8 4.001 15.569 -13.499 53 HD1 HIS 8 1HD HIS 8 5.456 12.530 -14.646 54 HD2 HIS 8 2HD HIS 8 2.132 13.491 -12.347 55 HE1 HIS 8 1HE HIS 8 4.882 10.431 -13.384 56 HE2 HIS 8 2HE HIS 8 2.816 11.013 -12.064 57 H HIS 9 H HIS 9 0.240 15.169 -15.666 58 HA HIS 9 HA HIS 9 -0.461 16.747 -13.289 59 HB2 HIS 9 2HB HIS 9 -2.088 16.206 -15.782 60 HB3 HIS 9 1HB HIS 9 -2.576 17.234 -14.440 61 HD1 HIS 9 1HD HIS 9 -1.268 19.503 -14.164 62 HD2 HIS 9 2HD HIS 9 -0.414 17.386 -17.635 63 HE1 HIS 9 1HE HIS 9 -0.090 21.133 -15.674 64 HE2 HIS 9 2HE HIS 9 0.340 19.853 -17.800 65 H SER 10 H SER 10 -2.138 14.279 -15.240 66 HA SER 10 HA SER 10 -3.366 12.456 -14.659 67 HB2 SER 10 2HB SER 10 -1.338 12.539 -12.441 68 HB3 SER 10 1HB SER 10 -2.619 11.326 -12.443 69 HG SER 10 HG SER 10 -1.859 10.853 -14.653 70 H SER 11 H SER 11 -5.207 13.885 -14.459 71 HA SER 11 HA SER 11 -6.160 14.061 -11.678 72 HB2 SER 11 2HB SER 11 -7.400 16.127 -12.343 73 HB3 SER 11 1HB SER 11 -5.648 16.314 -12.407 74 HG SER 11 HG SER 11 -5.837 15.854 -14.695 75 H GLY 12 H GLY 12 -7.534 14.561 -14.934 76 HA2 GLY 12 2HA GLY 12 -8.980 12.316 -15.318 77 HA3 GLY 12 1HA GLY 12 -9.958 13.192 -14.149 78 H LEU 13 H LEU 13 -11.582 13.144 -15.862 79 HA LEU 13 HA LEU 13 -11.083 15.131 -17.975 80 HB2 LEU 13 2HB LEU 13 -12.828 12.719 -17.801 81 HB3 LEU 13 1HB LEU 13 -13.335 14.048 -18.827 82 HG LEU 13 HG LEU 13 -12.119 12.279 -20.055 83 HD11 LEU 13 1HD1 LEU 13 -11.098 13.751 -21.460 84 HD12 LEU 13 2HD1 LEU 13 -10.315 14.634 -20.149 85 HD13 LEU 13 3HD1 LEU 13 -12.029 14.886 -20.484 86 HD21 LEU 13 3HD2 LEU 13 -10.556 11.935 -17.987 87 HD22 LEU 13 1HD2 LEU 13 -9.579 13.174 -18.773 88 HD23 LEU 13 2HD2 LEU 13 -9.945 11.670 -19.619 89 H VAL 14 H VAL 14 -13.137 14.287 -15.284 90 HA VAL 14 HA VAL 14 -14.673 15.478 -14.098 91 HB VAL 14 HB VAL 14 -13.781 17.889 -15.682 92 HG11 VAL 14 1HG1 VAL 14 -15.682 18.519 -14.512 93 HG12 VAL 14 2HG1 VAL 14 -14.380 18.964 -13.408 94 HG13 VAL 14 3HG1 VAL 14 -15.300 17.485 -13.136 95 HG21 VAL 14 3HG2 VAL 14 -12.179 18.300 -13.872 96 HG22 VAL 14 1HG2 VAL 14 -11.835 16.789 -14.715 97 HG23 VAL 14 2HG2 VAL 14 -12.621 16.759 -13.137 98 HA PRO 15 HA PRO 15 -17.585 15.232 -17.706 99 HB2 PRO 15 2HB PRO 15 -19.299 13.482 -16.545 100 HB3 PRO 15 1HB PRO 15 -17.852 12.966 -17.417 101 HG2 PRO 15 2HG PRO 15 -18.281 13.263 -14.469 102 HG3 PRO 15 1HG PRO 15 -17.464 11.961 -15.356 103 HD2 PRO 15 2HD PRO 15 -16.116 13.952 -14.101 104 HD3 PRO 15 1HD PRO 15 -15.512 13.168 -15.574 105 H ARG 16 H ARG 16 -18.458 15.238 -14.249 106 HA ARG 16 HA ARG 16 -19.985 17.662 -14.594 107 HB2 ARG 16 2HB ARG 16 -22.042 16.592 -13.541 108 HB3 ARG 16 1HB ARG 16 -21.737 16.218 -15.231 109 HG2 ARG 16 2HG ARG 16 -20.936 14.052 -14.699 110 HG3 ARG 16 1HG ARG 16 -20.882 14.426 -12.975 111 HD2 ARG 16 2HD ARG 16 -22.829 13.016 -13.718 112 HD3 ARG 16 1HD ARG 16 -23.247 14.475 -12.821 113 HE ARG 16 HE ARG 16 -24.351 15.233 -14.666 114 HH11 ARG 16 1HH1 ARG 16 -22.136 12.726 -15.662 115 HH12 ARG 16 2HH1 ARG 16 -22.709 12.696 -17.296 116 HH21 ARG 16 1HH2 ARG 16 -25.104 15.195 -16.814 117 HH22 ARG 16 2HH2 ARG 16 -24.394 14.099 -17.951 118 H GLY 17 H GLY 17 -21.265 17.993 -12.343 119 HA2 GLY 17 2HA GLY 17 -19.199 18.214 -10.388 120 HA3 GLY 17 1HA GLY 17 -20.890 18.639 -10.166 121 H SER 18 H SER 18 -21.669 15.853 -11.007 122 HA SER 18 HA SER 18 -21.963 14.733 -8.469 123 HB2 SER 18 2HB SER 18 -23.481 14.008 -10.128 124 HB3 SER 18 1HB SER 18 -22.186 13.568 -11.241 125 HG SER 18 HG SER 18 -22.078 11.682 -10.328 126 H HIS 19 H HIS 19 -20.621 13.662 -7.184 127 HA HIS 19 HA HIS 19 -18.332 12.254 -8.377 128 HB2 HIS 19 2HB HIS 19 -18.032 14.610 -7.046 129 HB3 HIS 19 1HB HIS 19 -17.860 13.461 -5.725 130 HD1 HIS 19 1HD HIS 19 -16.525 11.448 -8.097 131 HD2 HIS 19 2HD HIS 19 -15.210 15.081 -6.567 132 HE1 HIS 19 1HE HIS 19 -14.052 11.513 -8.550 133 HE2 HIS 19 2HE HIS 19 -13.295 13.758 -7.693 134 H MET 20 H MET 20 -17.210 11.231 -6.094 135 HA MET 20 HA MET 20 -18.786 8.986 -5.572 136 HB2 MET 20 2HB MET 20 -16.301 10.141 -4.414 137 HB3 MET 20 1HB MET 20 -17.133 8.914 -3.469 138 HG2 MET 20 2HG MET 20 -16.732 8.272 -6.311 139 HG3 MET 20 1HG MET 20 -15.270 8.386 -5.335 140 HE1 MET 20 3HE MET 20 -16.548 5.769 -6.901 141 HE2 MET 20 1HE MET 20 -18.183 6.246 -6.442 142 HE3 MET 20 2HE MET 20 -17.521 4.713 -5.874 143 H SER 21 H SER 21 -19.770 8.275 -3.591 144 HA SER 21 HA SER 21 -21.556 10.149 -2.495 145 HB2 SER 21 2HB SER 21 -20.783 7.357 -1.644 146 HB3 SER 21 1HB SER 21 -22.031 8.291 -0.821 147 HG SER 21 HG SER 21 -22.625 6.800 -2.659 148 H LEU 22 H LEU 22 -21.755 10.040 0.110 149 HA LEU 22 HA LEU 22 -19.133 10.749 1.234 150 HB2 LEU 22 2HB LEU 22 -21.671 12.357 1.307 151 HB3 LEU 22 1HB LEU 22 -20.417 12.569 2.514 152 HG LEU 22 HG LEU 22 -18.848 12.954 0.483 153 HD11 LEU 22 1HD1 LEU 22 -21.544 12.978 -0.750 154 HD12 LEU 22 2HD1 LEU 22 -19.991 12.485 -1.425 155 HD13 LEU 22 3HD1 LEU 22 -20.387 14.197 -1.283 156 HD21 LEU 22 3HD2 LEU 22 -20.814 14.779 1.742 157 HD22 LEU 22 1HD2 LEU 22 -19.931 15.378 0.338 158 HD23 LEU 22 2HD2 LEU 22 -19.052 14.822 1.762 159 H ASP 23 H ASP 23 -22.458 10.828 2.493 160 HA ASP 23 HA ASP 23 -21.610 8.927 4.580 161 HB2 ASP 23 2HB ASP 23 -23.700 11.111 4.730 162 HB3 ASP 23 1HB ASP 23 -23.335 9.968 6.020 163 H GLU 24 H GLU 24 -22.204 7.169 3.181 164 HA GLU 24 HA GLU 24 -25.109 6.840 2.835 165 HB2 GLU 24 2HB GLU 24 -23.265 6.654 0.903 166 HB3 GLU 24 1HB GLU 24 -23.205 4.998 1.489 167 HG2 GLU 24 2HG GLU 24 -25.900 6.066 1.024 168 HG3 GLU 24 1HG GLU 24 -24.897 5.887 -0.414 169 H ASN 25 H ASN 25 -22.212 5.440 4.197 170 HA ASN 25 HA ASN 25 -21.868 3.757 5.686 171 HB2 ASN 25 2HB ASN 25 -23.810 5.076 6.793 172 HB3 ASN 25 1HB ASN 25 -24.815 3.725 6.281 173 HD21 ASN 25 1HD2 ASN 25 -25.065 2.188 7.717 174 HD22 ASN 25 2HD2 ASN 25 -23.967 1.788 8.989 175 H GLU 26 H GLU 26 -22.199 1.465 6.057 176 HA GLU 26 HA GLU 26 -22.647 0.033 3.686 177 HB2 GLU 26 2HB GLU 26 -22.213 -0.708 6.546 178 HB3 GLU 26 1HB GLU 26 -22.759 -1.952 5.429 179 HG2 GLU 26 2HG GLU 26 -20.329 -0.251 4.950 180 HG3 GLU 26 1HG GLU 26 -20.282 -1.808 5.775 181 H VAL 27 H VAL 27 -24.332 -1.218 2.962 182 HA VAL 27 HA VAL 27 -26.813 -1.202 4.536 183 HB VAL 27 HB VAL 27 -26.750 -0.625 1.573 184 HG11 VAL 27 1HG1 VAL 27 -28.863 -1.374 1.844 185 HG12 VAL 27 2HG1 VAL 27 -29.132 0.260 2.453 186 HG13 VAL 27 3HG1 VAL 27 -28.863 -1.069 3.581 187 HG21 VAL 27 3HG2 VAL 27 -27.208 1.323 3.831 188 HG22 VAL 27 1HG2 VAL 27 -27.248 1.681 2.104 189 HG23 VAL 27 2HG2 VAL 27 -25.731 1.212 2.873 190 H ALA 28 H ALA 28 -28.046 -3.024 4.374 191 HA ALA 28 HA ALA 28 -26.844 -5.418 3.564 192 HB1 ALA 28 1HB ALA 28 -29.646 -4.675 4.316 193 HB2 ALA 28 2HB ALA 28 -28.476 -5.652 5.201 194 HB3 ALA 28 3HB ALA 28 -29.261 -6.304 3.763 195 H ALA 29 H ALA 29 -29.201 -3.345 1.941 196 HA ALA 29 HA ALA 29 -29.732 -5.062 -0.235 197 HB1 ALA 29 1HB ALA 29 -30.948 -3.326 -1.140 198 HB2 ALA 29 2HB ALA 29 -29.846 -2.092 -0.527 199 HB3 ALA 29 3HB ALA 29 -30.957 -2.907 0.573 200 H ASN 30 H ASN 30 -28.704 -5.411 -2.120 201 HA ASN 30 HA ASN 30 -26.802 -3.623 -3.248 202 HB2 ASN 30 2HB ASN 30 -24.857 -5.255 -3.068 203 HB3 ASN 30 1HB ASN 30 -25.270 -4.374 -1.601 204 HD21 ASN 30 1HD2 ASN 30 -25.899 -7.421 -3.283 205 HD22 ASN 30 2HD2 ASN 30 -26.015 -8.387 -1.856 206 H VAL 31 H VAL 31 -26.267 -4.165 -5.352 207 HA VAL 31 HA VAL 31 -27.802 -6.400 -6.465 208 HB VAL 31 HB VAL 31 -27.269 -5.281 -8.677 209 HG11 VAL 31 1HG1 VAL 31 -29.085 -3.802 -8.511 210 HG12 VAL 31 2HG1 VAL 31 -28.771 -3.473 -6.807 211 HG13 VAL 31 3HG1 VAL 31 -29.399 -5.046 -7.300 212 HG21 VAL 31 3HG2 VAL 31 -25.329 -3.986 -7.759 213 HG22 VAL 31 1HG2 VAL 31 -26.494 -2.949 -6.934 214 HG23 VAL 31 2HG2 VAL 31 -26.479 -3.032 -8.696 215 H GLU 32 H GLU 32 -25.269 -6.813 -5.080 216 HA GLU 32 HA GLU 32 -23.369 -8.044 -5.294 217 HB2 GLU 32 2HB GLU 32 -25.136 -9.367 -6.745 218 HB3 GLU 32 1HB GLU 32 -24.109 -8.846 -8.076 219 HG2 GLU 32 2HG GLU 32 -23.070 -10.791 -7.635 220 HG3 GLU 32 1HG GLU 32 -22.228 -9.804 -6.442 221 H THR 33 H THR 33 -21.658 -6.722 -5.386 222 HA THR 33 HA THR 33 -20.878 -5.682 -8.031 223 HB THR 33 HB THR 33 -20.440 -4.350 -5.351 224 HG1 THR 33 1HG THR 33 -22.180 -3.251 -5.754 225 HG21 THR 33 3HG2 THR 33 -20.014 -2.397 -7.105 226 HG22 THR 33 1HG2 THR 33 -19.430 -3.762 -8.059 227 HG23 THR 33 2HG2 THR 33 -18.723 -3.423 -6.478 228 H ARG 34 H ARG 34 -19.361 -5.943 -4.814 229 HA ARG 34 HA ARG 34 -17.474 -7.905 -5.687 230 HB2 ARG 34 2HB ARG 34 -16.822 -5.112 -6.030 231 HB3 ARG 34 1HB ARG 34 -15.716 -5.861 -4.887 232 HG2 ARG 34 2HG ARG 34 -14.563 -6.524 -6.666 233 HG3 ARG 34 1HG ARG 34 -15.845 -7.710 -6.915 234 HD2 ARG 34 2HD ARG 34 -16.017 -6.757 -8.942 235 HD3 ARG 34 1HD ARG 34 -16.937 -5.522 -8.083 236 HE ARG 34 HE ARG 34 -14.387 -4.651 -7.871 237 HH11 ARG 34 1HH1 ARG 34 -16.347 -5.647 -10.580 238 HH12 ARG 34 2HH1 ARG 34 -15.548 -4.602 -11.704 239 HH21 ARG 34 1HH2 ARG 34 -13.335 -3.273 -9.348 240 HH22 ARG 34 2HH2 ARG 34 -13.838 -3.252 -11.005 241 HA PRO 35 HA PRO 35 -17.094 -8.621 -1.361 242 HB2 PRO 35 2HB PRO 35 -14.473 -9.261 -1.033 243 HB3 PRO 35 1HB PRO 35 -15.636 -10.338 -1.812 244 HG2 PRO 35 2HG PRO 35 -13.637 -8.490 -3.057 245 HG3 PRO 35 1HG PRO 35 -14.054 -10.155 -3.506 246 HD2 PRO 35 2HD PRO 35 -15.016 -8.010 -4.842 247 HD3 PRO 35 1HD PRO 35 -15.951 -9.507 -4.647 248 H GLU 36 H GLU 36 -15.168 -8.194 0.473 249 HA GLU 36 HA GLU 36 -15.101 -5.280 0.635 250 HB2 GLU 36 2HB GLU 36 -16.022 -6.527 2.539 251 HB3 GLU 36 1HB GLU 36 -14.495 -7.381 2.724 252 HG2 GLU 36 2HG GLU 36 -14.245 -4.470 2.757 253 HG3 GLU 36 1HG GLU 36 -15.215 -5.132 4.072 254 H LEU 37 H LEU 37 -13.208 -4.107 1.085 255 HA LEU 37 HA LEU 37 -10.767 -5.457 0.186 256 HB2 LEU 37 2HB LEU 37 -9.939 -3.008 0.066 257 HB3 LEU 37 1HB LEU 37 -11.040 -3.602 -1.161 258 HG LEU 37 HG LEU 37 -12.246 -2.263 1.199 259 HD11 LEU 37 1HD1 LEU 37 -11.876 -0.129 -0.397 260 HD12 LEU 37 2HD1 LEU 37 -10.349 -0.975 -0.653 261 HD13 LEU 37 3HD1 LEU 37 -10.842 -0.515 0.979 262 HD21 LEU 37 3HD2 LEU 37 -12.981 -1.598 -1.575 263 HD22 LEU 37 1HD2 LEU 37 -14.000 -1.964 -0.184 264 HD23 LEU 37 2HD2 LEU 37 -13.244 -3.273 -1.092 265 H ILE 38 H ILE 38 -9.383 -6.099 1.664 266 HA ILE 38 HA ILE 38 -9.344 -4.764 4.274 267 HB ILE 38 HB ILE 38 -8.345 -6.702 5.206 268 HG12 ILE 38 2HG1 ILE 38 -8.190 -8.601 3.129 269 HG13 ILE 38 1HG1 ILE 38 -7.410 -7.149 2.512 270 HG21 ILE 38 1HG2 ILE 38 -9.955 -8.505 4.543 271 HG22 ILE 38 2HG2 ILE 38 -10.524 -7.430 3.265 272 HG23 ILE 38 3HG2 ILE 38 -10.692 -6.956 4.956 273 HD11 ILE 38 3HD1 ILE 38 -5.697 -7.279 3.987 274 HD12 ILE 38 1HD1 ILE 38 -6.106 -8.992 3.893 275 HD13 ILE 38 2HD1 ILE 38 -6.686 -8.020 5.245 276 H THR 39 H THR 39 -6.905 -5.169 5.237 277 HA THR 39 HA THR 39 -4.882 -4.382 3.273 278 HB THR 39 HB THR 39 -4.328 -2.476 5.059 279 HG1 THR 39 1HG THR 39 -5.986 -2.603 6.430 280 HG21 THR 39 3HG2 THR 39 -5.668 -2.504 2.533 281 HG22 THR 39 1HG2 THR 39 -4.596 -1.285 3.221 282 HG23 THR 39 2HG2 THR 39 -6.326 -1.230 3.559 283 H ARG 40 H ARG 40 -2.780 -4.527 4.028 284 HA ARG 40 HA ARG 40 -2.065 -5.247 6.670 285 HB2 ARG 40 2HB ARG 40 -3.135 -7.375 6.050 286 HB3 ARG 40 1HB ARG 40 -2.111 -7.482 4.625 287 HG2 ARG 40 2HG ARG 40 -0.257 -8.063 5.829 288 HG3 ARG 40 1HG ARG 40 -0.815 -7.249 7.292 289 HD2 ARG 40 2HD ARG 40 -2.269 -8.994 7.845 290 HD3 ARG 40 1HD ARG 40 -2.230 -9.664 6.216 291 HE ARG 40 HE ARG 40 -0.466 -10.287 8.343 292 HH11 ARG 40 1HH1 ARG 40 -0.539 -9.814 4.886 293 HH12 ARG 40 2HH1 ARG 40 0.814 -10.852 4.588 294 HH21 ARG 40 1HH2 ARG 40 1.315 -11.653 7.953 295 HH22 ARG 40 2HH2 ARG 40 1.867 -11.897 6.331 296 H THR 41 H THR 41 -0.213 -4.151 6.712 297 HA THR 41 HA THR 41 1.361 -3.834 4.314 298 HB THR 41 HB THR 41 1.013 -1.969 5.915 299 HG1 THR 41 1HG THR 41 3.633 -2.858 5.375 300 HG21 THR 41 3HG2 THR 41 3.078 -2.999 7.748 301 HG22 THR 41 1HG2 THR 41 1.455 -3.663 7.925 302 HG23 THR 41 2HG2 THR 41 1.715 -1.924 8.052 303 H GLU 42 H GLU 42 3.079 -4.784 3.733 304 HA GLU 42 HA GLU 42 4.122 -6.935 5.417 305 HB2 GLU 42 2HB GLU 42 5.128 -7.808 3.378 306 HB3 GLU 42 1HB GLU 42 3.415 -7.505 3.123 307 HG2 GLU 42 2HG GLU 42 3.799 -6.001 1.523 308 HG3 GLU 42 1HG GLU 42 5.108 -5.238 2.424 309 H GLU 43 H GLU 43 6.320 -7.160 5.786 310 HA GLU 43 HA GLU 43 7.707 -4.756 6.314 311 HB2 GLU 43 2HB GLU 43 7.941 -6.971 7.539 312 HB3 GLU 43 1HB GLU 43 8.951 -7.502 6.202 313 HG2 GLU 43 2HG GLU 43 10.296 -6.724 8.064 314 HG3 GLU 43 1HG GLU 43 10.518 -5.697 6.649 315 H ILE 44 H ILE 44 8.374 -3.500 4.696 316 HA ILE 44 HA ILE 44 9.763 -4.733 2.415 317 HB ILE 44 HB ILE 44 8.616 -1.946 2.592 318 HG12 ILE 44 2HG1 ILE 44 7.203 -3.487 0.699 319 HG13 ILE 44 1HG1 ILE 44 7.320 -4.486 2.143 320 HG21 ILE 44 1HG2 ILE 44 10.558 -2.585 0.979 321 HG22 ILE 44 2HG2 ILE 44 9.190 -1.645 0.381 322 HG23 ILE 44 3HG2 ILE 44 9.280 -3.377 0.058 323 HD11 ILE 44 3HD1 ILE 44 5.274 -3.185 2.160 324 HD12 ILE 44 1HD1 ILE 44 6.209 -1.688 2.010 325 HD13 ILE 44 2HD1 ILE 44 6.347 -2.669 3.462 326 HA PRO 45 HA PRO 45 13.260 -2.695 4.486 327 HB2 PRO 45 2HB PRO 45 15.015 -4.681 3.477 328 HB3 PRO 45 1HB PRO 45 14.351 -4.572 5.105 329 HG2 PRO 45 2HG PRO 45 13.774 -6.559 3.232 330 HG3 PRO 45 1HG PRO 45 12.848 -6.216 4.701 331 HD2 PRO 45 2HD PRO 45 12.298 -5.423 1.882 332 HD3 PRO 45 1HD PRO 45 11.165 -5.834 3.186 333 H PHE 46 H PHE 46 15.131 -1.620 3.725 334 HA PHE 46 HA PHE 46 14.992 -0.906 0.917 335 HB2 PHE 46 2HB PHE 46 16.490 0.903 1.480 336 HB3 PHE 46 1HB PHE 46 15.225 0.825 2.700 337 HD1 PHE 46 2HD PHE 46 18.775 0.265 2.005 338 HD2 PHE 46 1HD PHE 46 15.724 0.203 4.971 339 HE1 PHE 46 2HE PHE 46 20.492 0.139 3.764 340 HE2 PHE 46 1HE PHE 46 17.434 0.078 6.734 341 HZ PHE 46 HZ PHE 46 19.821 0.044 6.132 342 H GLU 47 H GLU 47 17.468 -0.291 0.158 343 HA GLU 47 HA GLU 47 19.292 -2.475 0.691 344 HB2 GLU 47 2HB GLU 47 17.811 -3.439 -1.010 345 HB3 GLU 47 1HB GLU 47 18.126 -2.070 -2.068 346 HG2 GLU 47 2HG GLU 47 20.647 -2.944 -1.548 347 HG3 GLU 47 1HG GLU 47 19.735 -4.453 -1.540 348 H VAL 48 H VAL 48 21.075 -1.338 1.090 349 HA VAL 48 HA VAL 48 21.646 1.198 -0.026 350 HB VAL 48 HB VAL 48 22.549 0.492 2.145 351 HG11 VAL 48 1HG1 VAL 48 23.074 -1.884 1.056 352 HG12 VAL 48 2HG1 VAL 48 23.918 -1.284 2.485 353 HG13 VAL 48 3HG1 VAL 48 24.670 -1.151 0.895 354 HG21 VAL 48 3HG2 VAL 48 24.640 1.541 1.949 355 HG22 VAL 48 1HG2 VAL 48 23.676 2.215 0.635 356 HG23 VAL 48 2HG2 VAL 48 24.872 0.962 0.300 357 H ILE 49 H ILE 49 23.374 1.789 -1.434 358 HA ILE 49 HA ILE 49 24.213 -0.350 -3.283 359 HB ILE 49 HB ILE 49 23.552 2.490 -4.070 360 HG12 ILE 49 2HG1 ILE 49 21.716 1.064 -5.375 361 HG13 ILE 49 1HG1 ILE 49 21.927 -0.006 -3.992 362 HG21 ILE 49 1HG2 ILE 49 25.076 1.789 -5.645 363 HG22 ILE 49 2HG2 ILE 49 23.556 1.275 -6.379 364 HG23 ILE 49 3HG2 ILE 49 24.571 0.101 -5.539 365 HD11 ILE 49 3HD1 ILE 49 21.370 1.820 -2.484 366 HD12 ILE 49 1HD1 ILE 49 20.083 1.541 -3.658 367 HD13 ILE 49 2HD1 ILE 49 21.182 2.905 -3.861 368 H LYS 50 H LYS 50 26.222 0.021 -4.399 369 HA LYS 50 HA LYS 50 28.062 1.697 -2.831 370 HB2 LYS 50 2HB LYS 50 29.835 0.201 -3.872 371 HB3 LYS 50 1HB LYS 50 28.767 -0.555 -2.698 372 HG2 LYS 50 2HG LYS 50 28.042 -0.701 -5.578 373 HG3 LYS 50 1HG LYS 50 29.345 -1.727 -4.974 374 HD2 LYS 50 2HD LYS 50 27.935 -3.042 -3.804 375 HD3 LYS 50 1HD LYS 50 26.915 -1.687 -3.319 376 HE2 LYS 50 2HE LYS 50 25.720 -3.265 -4.771 377 HE3 LYS 50 1HE LYS 50 25.857 -1.665 -5.500 378 HZ1 LYS 50 3HZ LYS 50 27.851 -2.565 -6.707 379 HZ2 LYS 50 1HZ LYS 50 26.362 -3.212 -7.181 380 HZ3 LYS 50 2HZ LYS 50 27.391 -4.105 -6.181 381 H LYS 51 H LYS 51 28.111 3.635 -3.838 382 HA LYS 51 HA LYS 51 28.277 3.768 -6.741 383 HB2 LYS 51 2HB LYS 51 26.880 5.321 -5.200 384 HB3 LYS 51 1HB LYS 51 28.408 6.141 -4.908 385 HG2 LYS 51 2HG LYS 51 27.081 7.211 -6.671 386 HG3 LYS 51 1HG LYS 51 28.642 6.631 -7.260 387 HD2 LYS 51 2HD LYS 51 27.699 5.109 -8.634 388 HD3 LYS 51 1HD LYS 51 26.421 4.712 -7.483 389 HE2 LYS 51 2HE LYS 51 24.993 6.227 -8.348 390 HE3 LYS 51 1HE LYS 51 26.268 7.405 -8.655 391 HZ1 LYS 51 3HZ LYS 51 25.707 5.004 -10.310 392 HZ2 LYS 51 1HZ LYS 51 26.918 6.145 -10.608 393 HZ3 LYS 51 2HZ LYS 51 25.291 6.593 -10.710 394 H GLU 52 H GLU 52 29.990 4.702 -7.876 395 HA GLU 52 HA GLU 52 32.534 4.740 -6.401 396 HB2 GLU 52 2HB GLU 52 31.813 3.998 -9.214 397 HB3 GLU 52 1HB GLU 52 33.447 4.534 -8.846 398 HG2 GLU 52 2HG GLU 52 33.810 2.722 -7.374 399 HG3 GLU 52 1HG GLU 52 32.102 2.287 -7.375 400 H ASN 53 H ASN 53 32.902 6.798 -5.810 401 HA ASN 53 HA ASN 53 32.359 8.966 -7.687 402 HB2 ASN 53 2HB ASN 53 32.776 8.756 -4.758 403 HB3 ASN 53 1HB ASN 53 33.339 10.238 -5.526 404 HD21 ASN 53 1HD2 ASN 53 31.911 11.792 -5.368 405 HD22 ASN 53 2HD2 ASN 53 30.195 11.623 -5.472 406 HA PRO 54 HA PRO 54 36.751 8.515 -8.791 407 HB2 PRO 54 2HB PRO 54 36.614 10.163 -10.959 408 HB3 PRO 54 1HB PRO 54 36.157 8.457 -11.003 409 HG2 PRO 54 2HG PRO 54 34.417 10.879 -10.746 410 HG3 PRO 54 1HG PRO 54 34.173 9.423 -11.729 411 HD2 PRO 54 2HD PRO 54 32.905 9.799 -9.377 412 HD3 PRO 54 1HD PRO 54 33.404 8.188 -9.935 413 H ASN 55 H ASN 55 34.856 11.420 -8.308 414 HA ASN 55 HA ASN 55 37.026 13.253 -8.293 415 HB2 ASN 55 2HB ASN 55 34.619 13.877 -8.613 416 HB3 ASN 55 1HB ASN 55 34.355 13.548 -6.903 417 HD21 ASN 55 1HD2 ASN 55 36.807 15.262 -8.818 418 HD22 ASN 55 2HD2 ASN 55 36.766 16.713 -7.882 419 H LEU 56 H LEU 56 35.560 11.197 -5.877 420 HA LEU 56 HA LEU 56 36.631 12.416 -3.578 421 HB2 LEU 56 2HB LEU 56 35.628 9.669 -4.216 422 HB3 LEU 56 1HB LEU 56 36.404 9.976 -2.674 423 HG LEU 56 HG LEU 56 33.943 11.389 -3.706 424 HD11 LEU 56 1HD1 LEU 56 32.654 10.012 -2.427 425 HD12 LEU 56 2HD1 LEU 56 33.957 9.661 -1.291 426 HD13 LEU 56 3HD1 LEU 56 33.933 8.883 -2.873 427 HD21 LEU 56 3HD2 LEU 56 34.725 12.981 -2.304 428 HD22 LEU 56 1HD2 LEU 56 35.748 11.854 -1.415 429 HD23 LEU 56 2HD2 LEU 56 34.018 11.927 -1.080 430 HA PRO 57 HA PRO 57 40.821 11.002 -3.649 431 HB2 PRO 57 2HB PRO 57 41.473 11.032 -1.066 432 HB3 PRO 57 1HB PRO 57 40.997 12.517 -1.900 433 HG2 PRO 57 2HG PRO 57 39.416 10.797 -0.042 434 HG3 PRO 57 1HG PRO 57 39.447 12.561 -0.183 435 HD2 PRO 57 2HD PRO 57 37.522 10.874 -1.297 436 HD3 PRO 57 1HD PRO 57 37.821 12.558 -1.774 437 H ALA 58 H ALA 58 38.771 8.798 -3.579 438 HA ALA 58 HA ALA 58 38.683 6.541 -3.322 439 HB1 ALA 58 1HB ALA 58 40.556 6.175 -4.571 440 HB2 ALA 58 2HB ALA 58 41.097 5.500 -3.035 441 HB3 ALA 58 3HB ALA 58 41.589 7.126 -3.506 442 H GLY 59 H GLY 59 37.649 6.015 -1.485 443 HA2 GLY 59 2HA GLY 59 38.048 4.692 0.562 444 HA3 GLY 59 1HA GLY 59 39.273 5.879 0.983 445 H GLN 60 H GLN 60 37.467 8.063 -0.033 446 HA GLN 60 HA GLN 60 36.227 8.649 2.460 447 HB2 GLN 60 2HB GLN 60 37.151 10.229 0.557 448 HB3 GLN 60 1HB GLN 60 35.500 10.121 -0.037 449 HG2 GLN 60 2HG GLN 60 35.917 10.781 2.827 450 HG3 GLN 60 1HG GLN 60 36.267 12.020 1.620 451 HE21 GLN 60 1HE2 GLN 60 34.634 13.181 0.851 452 HE22 GLN 60 2HE2 GLN 60 32.959 12.841 1.098 453 H GLU 61 H GLU 61 34.163 8.428 3.116 454 HA GLU 61 HA GLU 61 32.136 7.607 1.164 455 HB2 GLU 61 2HB GLU 61 33.185 5.613 2.369 456 HB3 GLU 61 1HB GLU 61 32.413 6.221 3.826 457 HG2 GLU 61 2HG GLU 61 30.631 5.961 1.515 458 HG3 GLU 61 1HG GLU 61 31.308 4.444 2.107 459 H ASN 62 H ASN 62 30.280 8.672 1.410 460 HA ASN 62 HA ASN 62 29.697 9.897 4.021 461 HB2 ASN 62 2HB ASN 62 28.718 11.835 2.755 462 HB3 ASN 62 1HB ASN 62 30.467 11.688 2.622 463 HD21 ASN 62 1HD2 ASN 62 29.127 13.180 0.815 464 HD22 ASN 62 2HD2 ASN 62 29.114 12.393 -0.723 465 H ILE 63 H ILE 63 27.511 10.089 4.580 466 HA ILE 63 HA ILE 63 25.765 8.229 3.142 467 HB ILE 63 HB ILE 63 25.327 9.497 5.849 468 HG12 ILE 63 2HG1 ILE 63 27.352 8.055 5.772 469 HG13 ILE 63 1HG1 ILE 63 26.089 7.407 6.815 470 HG21 ILE 63 1HG2 ILE 63 23.991 7.125 4.551 471 HG22 ILE 63 2HG2 ILE 63 23.288 8.734 4.706 472 HG23 ILE 63 3HG2 ILE 63 23.638 7.782 6.150 473 HD11 ILE 63 3HD1 ILE 63 25.440 5.841 5.068 474 HD12 ILE 63 1HD1 ILE 63 27.143 5.662 5.493 475 HD13 ILE 63 2HD1 ILE 63 26.686 6.500 4.009 476 H ILE 64 H ILE 64 25.193 9.608 1.410 477 HA ILE 64 HA ILE 64 24.156 12.205 1.698 478 HB ILE 64 HB ILE 64 23.418 10.253 -0.482 479 HG12 ILE 64 2HG1 ILE 64 25.831 10.277 -0.317 480 HG13 ILE 64 1HG1 ILE 64 25.355 11.223 -1.722 481 HG21 ILE 64 1HG2 ILE 64 23.700 13.236 -0.675 482 HG22 ILE 64 2HG2 ILE 64 22.180 12.454 -0.238 483 HG23 ILE 64 3HG2 ILE 64 22.920 12.131 -1.807 484 HD11 ILE 64 3HD1 ILE 64 26.398 12.188 0.913 485 HD12 ILE 64 1HD1 ILE 64 25.556 13.258 -0.208 486 HD13 ILE 64 2HD1 ILE 64 27.048 12.459 -0.704 487 H THR 65 H THR 65 22.655 9.035 1.830 488 HA THR 65 HA THR 65 20.392 10.057 3.243 489 HB THR 65 HB THR 65 19.824 8.840 0.538 490 HG1 THR 65 1HG THR 65 20.516 10.779 -0.044 491 HG21 THR 65 3HG2 THR 65 17.964 10.448 2.250 492 HG22 THR 65 1HG2 THR 65 18.082 8.693 2.372 493 HG23 THR 65 2HG2 THR 65 17.586 9.440 0.853 494 H ALA 66 H ALA 66 21.007 8.538 4.779 495 HA ALA 66 HA ALA 66 21.655 5.884 4.404 496 HB1 ALA 66 1HB ALA 66 22.016 6.499 6.561 497 HB2 ALA 66 2HB ALA 66 20.463 5.690 6.773 498 HB3 ALA 66 3HB ALA 66 20.533 7.448 6.657 499 H GLY 67 H GLY 67 20.497 3.927 4.562 500 HA2 GLY 67 2HA GLY 67 17.837 4.081 3.384 501 HA3 GLY 67 1HA GLY 67 18.817 2.632 3.562 502 H VAL 68 H VAL 68 15.964 3.592 4.364 503 HA VAL 68 HA VAL 68 16.075 2.372 7.039 504 HB VAL 68 HB VAL 68 14.229 4.654 6.330 505 HG11 VAL 68 1HG1 VAL 68 14.585 2.886 8.666 506 HG12 VAL 68 2HG1 VAL 68 13.139 3.701 8.066 507 HG13 VAL 68 3HG1 VAL 68 14.329 4.596 9.011 508 HG21 VAL 68 3HG2 VAL 68 16.611 4.840 8.151 509 HG22 VAL 68 1HG2 VAL 68 15.627 6.146 7.491 510 HG23 VAL 68 2HG2 VAL 68 16.706 5.235 6.434 511 H LYS 69 H LYS 69 14.645 0.785 7.374 512 HA LYS 69 HA LYS 69 13.217 -0.385 5.298 513 HB2 LYS 69 2HB LYS 69 13.057 -0.649 8.285 514 HB3 LYS 69 1HB LYS 69 11.957 -1.541 7.245 515 HG2 LYS 69 2HG LYS 69 13.577 -2.937 6.490 516 HG3 LYS 69 1HG LYS 69 14.845 -1.717 6.621 517 HD2 LYS 69 2HD LYS 69 14.793 -1.959 9.072 518 HD3 LYS 69 1HD LYS 69 13.569 -3.221 8.906 519 HE2 LYS 69 2HE LYS 69 15.391 -4.563 8.988 520 HE3 LYS 69 1HE LYS 69 15.427 -4.212 7.261 521 HZ1 LYS 69 3HZ LYS 69 17.574 -3.765 7.885 522 HZ2 LYS 69 1HZ LYS 69 17.140 -3.157 9.403 523 HZ3 LYS 69 2HZ LYS 69 16.887 -2.226 8.014 524 H GLY 70 H GLY 70 11.341 0.044 4.353 525 HA2 GLY 70 2HA GLY 70 9.603 2.079 5.566 526 HA3 GLY 70 1HA GLY 70 9.610 1.608 3.872 527 H GLU 71 H GLU 71 7.271 1.399 4.027 528 HA GLU 71 HA GLU 71 6.531 -1.277 4.670 529 HB2 GLU 71 2HB GLU 71 6.219 0.607 6.710 530 HB3 GLU 71 1HB GLU 71 4.621 0.470 5.990 531 HG2 GLU 71 2HG GLU 71 4.346 -1.273 7.340 532 HG3 GLU 71 1HG GLU 71 5.386 -2.146 6.216 533 H ARG 72 H ARG 72 4.532 -1.807 3.754 534 HA ARG 72 HA ARG 72 3.185 0.251 2.209 535 HB2 ARG 72 2HB ARG 72 4.944 -0.903 0.742 536 HB3 ARG 72 1HB ARG 72 3.954 -2.351 0.887 537 HG2 ARG 72 2HG ARG 72 2.170 -1.372 -0.276 538 HG3 ARG 72 1HG ARG 72 2.850 0.245 -0.108 539 HD2 ARG 72 2HD ARG 72 4.450 -0.111 -1.737 540 HD3 ARG 72 1HD ARG 72 4.385 -1.864 -1.558 541 HE ARG 72 HE ARG 72 1.906 -1.088 -2.493 542 HH11 ARG 72 1HH1 ARG 72 5.212 -0.918 -3.597 543 HH12 ARG 72 2HH1 ARG 72 4.789 -0.977 -5.274 544 HH21 ARG 72 1HH2 ARG 72 1.345 -1.166 -4.699 545 HH22 ARG 72 2HH2 ARG 72 2.592 -1.118 -5.901 546 H THR 73 H THR 73 1.234 0.129 2.957 547 HA THR 73 HA THR 73 0.225 -2.279 4.130 548 HB THR 73 HB THR 73 -1.258 0.243 3.385 549 HG1 THR 73 1HG THR 73 -0.413 1.015 5.128 550 HG21 THR 73 3HG2 THR 73 -2.246 -1.456 5.551 551 HG22 THR 73 1HG2 THR 73 -2.407 -2.112 3.918 552 HG23 THR 73 2HG2 THR 73 -3.123 -0.544 4.318 553 H HIS 74 H HIS 74 -0.587 -3.926 3.101 554 HA HIS 74 HA HIS 74 -1.383 -3.532 0.337 555 HB2 HIS 74 2HB HIS 74 -0.055 -5.701 1.813 556 HB3 HIS 74 1HB HIS 74 -1.130 -6.186 0.481 557 HD1 HIS 74 1HD HIS 74 1.629 -3.776 1.213 558 HD2 HIS 74 2HD HIS 74 -0.043 -5.824 -1.977 559 HE1 HIS 74 1HE HIS 74 3.054 -3.179 -0.792 560 HE2 HIS 74 2HE HIS 74 1.809 -4.187 -2.739 561 H TYR 75 H TYR 75 -3.294 -3.551 -0.286 562 HA TYR 75 HA TYR 75 -5.393 -4.358 1.512 563 HB2 TYR 75 2HB TYR 75 -6.029 -3.287 -1.183 564 HB3 TYR 75 1HB TYR 75 -6.779 -2.943 0.364 565 HD1 TYR 75 2HD TYR 75 -3.703 -2.310 1.451 566 HD2 TYR 75 1HD TYR 75 -6.272 -0.835 -1.603 567 HE1 TYR 75 2HE TYR 75 -2.523 -0.160 1.527 568 HE2 TYR 75 1HE TYR 75 -5.118 1.334 -1.507 569 HH TYR 75 HH TYR 75 -3.328 2.330 0.930 570 H ILE 76 H ILE 76 -5.917 -6.415 1.525 571 HA ILE 76 HA ILE 76 -5.882 -7.958 -0.962 572 HB ILE 76 HB ILE 76 -6.168 -8.871 1.905 573 HG12 ILE 76 2HG1 ILE 76 -3.885 -9.863 1.448 574 HG13 ILE 76 1HG1 ILE 76 -3.845 -8.904 -0.027 575 HG21 ILE 76 1HG2 ILE 76 -7.312 -10.436 0.523 576 HG22 ILE 76 2HG2 ILE 76 -5.747 -11.141 0.927 577 HG23 ILE 76 3HG2 ILE 76 -6.009 -10.430 -0.666 578 HD11 ILE 76 3HD1 ILE 76 -2.836 -8.106 2.331 579 HD12 ILE 76 1HD1 ILE 76 -4.457 -7.419 2.430 580 HD13 ILE 76 2HD1 ILE 76 -3.405 -7.005 1.078 581 H SER 77 H SER 77 -7.682 -9.421 -1.415 582 HA SER 77 HA SER 77 -10.254 -8.308 -0.499 583 HB2 SER 77 2HB SER 77 -10.192 -9.852 -3.027 584 HB3 SER 77 1HB SER 77 -11.074 -8.378 -2.624 585 HG SER 77 HG SER 77 -8.889 -7.365 -2.705 586 H VAL 78 H VAL 78 -11.233 -9.623 0.882 587 HA VAL 78 HA VAL 78 -10.637 -12.444 0.962 588 HB VAL 78 HB VAL 78 -10.963 -11.185 3.047 589 HG11 VAL 78 1HG1 VAL 78 -13.001 -9.928 1.797 590 HG12 VAL 78 2HG1 VAL 78 -12.778 -9.953 3.547 591 HG13 VAL 78 3HG1 VAL 78 -13.891 -11.088 2.784 592 HG21 VAL 78 3HG2 VAL 78 -13.010 -13.344 2.547 593 HG22 VAL 78 1HG2 VAL 78 -12.520 -12.766 4.140 594 HG23 VAL 78 2HG2 VAL 78 -11.348 -13.567 3.094 595 H LEU 79 H LEU 79 -11.575 -13.812 -0.397 596 HA LEU 79 HA LEU 79 -14.370 -13.320 -1.190 597 HB2 LEU 79 2HB LEU 79 -12.287 -13.483 -2.866 598 HB3 LEU 79 1HB LEU 79 -12.675 -15.189 -2.750 599 HG LEU 79 HG LEU 79 -14.829 -13.210 -3.397 600 HD11 LEU 79 1HD1 LEU 79 -14.210 -14.015 -5.840 601 HD12 LEU 79 2HD1 LEU 79 -12.593 -14.092 -5.140 602 HD13 LEU 79 3HD1 LEU 79 -13.491 -12.573 -5.126 603 HD21 LEU 79 3HD2 LEU 79 -15.393 -15.550 -2.843 604 HD22 LEU 79 1HD2 LEU 79 -14.393 -16.087 -4.194 605 HD23 LEU 79 2HD2 LEU 79 -15.832 -15.112 -4.494 606 H THR 80 H THR 80 -15.649 -14.524 0.065 607 HA THR 80 HA THR 80 -14.819 -17.040 1.161 608 HB THR 80 HB THR 80 -17.629 -15.947 1.112 609 HG1 THR 80 1HG THR 80 -17.132 -14.686 2.804 610 HG21 THR 80 3HG2 THR 80 -16.521 -17.263 3.497 611 HG22 THR 80 1HG2 THR 80 -16.815 -18.300 2.101 612 HG23 THR 80 2HG2 THR 80 -18.134 -17.352 2.788 613 H GLU 81 H GLU 81 -14.558 -18.679 -0.237 614 HA GLU 81 HA GLU 81 -16.747 -19.232 -2.129 615 HB2 GLU 81 2HB GLU 81 -13.792 -19.465 -2.364 616 HB3 GLU 81 1HB GLU 81 -14.762 -20.690 -3.167 617 HG2 GLU 81 2HG GLU 81 -15.771 -19.136 -4.582 618 HG3 GLU 81 1HG GLU 81 -15.301 -17.772 -3.569 619 H ASN 82 H ASN 82 -18.017 -20.751 -1.281 620 HA ASN 82 HA ASN 82 -18.723 -22.710 -0.365 621 HB2 ASN 82 2HB ASN 82 -16.051 -23.443 -1.490 622 HB3 ASN 82 1HB ASN 82 -16.892 -24.608 -0.470 623 HD21 ASN 82 1HD2 ASN 82 -16.233 -24.553 -3.375 624 HD22 ASN 82 2HD2 ASN 82 -17.735 -24.842 -4.175 625 H GLY 83 H GLY 83 -17.598 -20.719 1.358 626 HA2 GLY 83 2HA GLY 83 -17.209 -20.542 3.624 627 HA3 GLY 83 1HA GLY 83 -17.308 -22.292 3.725 628 H LYS 84 H LYS 84 -15.089 -20.160 1.940 629 HA LYS 84 HA LYS 84 -12.882 -20.990 3.646 630 HB2 LYS 84 2HB LYS 84 -12.996 -22.726 1.898 631 HB3 LYS 84 1HB LYS 84 -12.870 -21.481 0.662 632 HG2 LYS 84 2HG LYS 84 -10.691 -22.014 0.729 633 HG3 LYS 84 1HG LYS 84 -10.676 -20.917 2.112 634 HD2 LYS 84 2HD LYS 84 -9.743 -22.673 3.175 635 HD3 LYS 84 1HD LYS 84 -11.412 -23.230 3.312 636 HE2 LYS 84 2HE LYS 84 -11.125 -24.886 1.803 637 HE3 LYS 84 1HE LYS 84 -10.034 -23.927 0.803 638 HZ1 LYS 84 3HZ LYS 84 -9.258 -25.139 3.398 639 HZ2 LYS 84 1HZ LYS 84 -8.238 -24.388 2.275 640 HZ3 LYS 84 2HZ LYS 84 -8.973 -25.863 1.897 641 H THR 85 H THR 85 -12.152 -19.049 4.239 642 HA THR 85 HA THR 85 -12.227 -16.782 2.465 643 HB THR 85 HB THR 85 -10.860 -15.779 4.475 644 HG1 THR 85 1HG THR 85 -10.565 -17.967 5.352 645 HG21 THR 85 3HG2 THR 85 -13.583 -16.580 5.324 646 HG22 THR 85 1HG2 THR 85 -13.415 -15.596 3.871 647 HG23 THR 85 2HG2 THR 85 -12.781 -15.012 5.410 648 H THR 86 H THR 86 -10.687 -16.167 1.102 649 HA THR 86 HA THR 86 -7.952 -17.180 1.522 650 HB THR 86 HB THR 86 -7.863 -16.963 -1.085 651 HG1 THR 86 1HG THR 86 -10.631 -17.407 -0.676 652 HG21 THR 86 3HG2 THR 86 -7.638 -19.098 0.072 653 HG22 THR 86 1HG2 THR 86 -8.600 -19.248 -1.399 654 HG23 THR 86 2HG2 THR 86 -9.394 -19.224 0.176 655 H GLU 87 H GLU 87 -6.239 -15.821 0.862 656 HA GLU 87 HA GLU 87 -6.993 -12.982 0.745 657 HB2 GLU 87 2HB GLU 87 -4.542 -12.656 1.420 658 HB3 GLU 87 1HB GLU 87 -5.634 -13.309 2.633 659 HG2 GLU 87 2HG GLU 87 -4.804 -15.530 2.267 660 HG3 GLU 87 1HG GLU 87 -3.815 -14.979 0.915 661 H THR 88 H THR 88 -6.939 -12.127 -1.219 662 HA THR 88 HA THR 88 -4.790 -12.967 -3.053 663 HB THR 88 HB THR 88 -6.997 -13.802 -3.780 664 HG1 THR 88 1HG THR 88 -5.762 -13.448 -5.500 665 HG21 THR 88 3HG2 THR 88 -8.751 -12.382 -4.486 666 HG22 THR 88 1HG2 THR 88 -7.789 -10.935 -4.190 667 HG23 THR 88 2HG2 THR 88 -8.343 -11.919 -2.835 668 H VAL 89 H VAL 89 -3.449 -11.387 -3.607 669 HA VAL 89 HA VAL 89 -3.668 -8.754 -2.710 670 HB VAL 89 HB VAL 89 -1.894 -8.254 -4.466 671 HG11 VAL 89 1HG1 VAL 89 -0.926 -10.604 -2.964 672 HG12 VAL 89 2HG1 VAL 89 -1.700 -9.336 -2.014 673 HG13 VAL 89 3HG1 VAL 89 -0.304 -8.954 -3.021 674 HG21 VAL 89 3HG2 VAL 89 -2.711 -10.150 -5.957 675 HG22 VAL 89 1HG2 VAL 89 -1.855 -11.233 -4.860 676 HG23 VAL 89 2HG2 VAL 89 -0.967 -9.995 -5.748 677 H LEU 90 H LEU 90 -4.695 -7.001 -3.449 678 HA LEU 90 HA LEU 90 -5.869 -7.130 -6.151 679 HB2 LEU 90 2HB LEU 90 -7.264 -7.049 -3.821 680 HB3 LEU 90 1HB LEU 90 -7.131 -5.338 -4.180 681 HG LEU 90 HG LEU 90 -8.070 -5.878 -6.479 682 HD11 LEU 90 1HD1 LEU 90 -8.143 -8.537 -5.207 683 HD12 LEU 90 2HD1 LEU 90 -8.024 -8.090 -6.910 684 HD13 LEU 90 3HD1 LEU 90 -9.590 -8.062 -6.098 685 HD21 LEU 90 3HD2 LEU 90 -9.669 -4.821 -5.291 686 HD22 LEU 90 1HD2 LEU 90 -9.471 -5.867 -3.885 687 HD23 LEU 90 2HD2 LEU 90 -10.415 -6.417 -5.269 688 H ASP 91 H ASP 91 -5.011 -4.740 -3.632 689 HA ASP 91 HA ASP 91 -3.347 -3.263 -5.422 690 HB2 ASP 91 2HB ASP 91 -5.929 -2.708 -5.875 691 HB3 ASP 91 1HB ASP 91 -5.647 -1.603 -4.530 692 H SER 92 H SER 92 -2.014 -1.870 -4.343 693 HA SER 92 HA SER 92 -2.644 -1.144 -1.580 694 HB2 SER 92 2HB SER 92 -0.728 -1.992 -0.614 695 HB3 SER 92 1HB SER 92 -1.253 -3.306 -1.676 696 HG SER 92 HG SER 92 0.330 -2.751 -3.130 697 H GLN 93 H GLN 93 -1.561 0.631 -0.825 698 HA GLN 93 HA GLN 93 -0.245 2.277 -2.867 699 HB2 GLN 93 2HB GLN 93 -1.157 4.163 -1.896 700 HB3 GLN 93 1HB GLN 93 -2.423 2.993 -1.537 701 HG2 GLN 93 2HG GLN 93 -1.370 2.660 0.707 702 HG3 GLN 93 1HG GLN 93 -0.273 3.990 0.324 703 HE21 GLN 93 1HE2 GLN 93 -0.860 5.791 1.277 704 HE22 GLN 93 2HE2 GLN 93 -2.478 6.342 1.524 705 H VAL 94 H VAL 94 1.508 3.766 -1.866 706 HA VAL 94 HA VAL 94 3.239 2.031 -0.318 707 HB VAL 94 HB VAL 94 3.814 4.836 -1.284 708 HG11 VAL 94 1HG1 VAL 94 5.360 4.178 0.403 709 HG12 VAL 94 2HG1 VAL 94 6.182 4.014 -1.149 710 HG13 VAL 94 3HG1 VAL 94 5.567 2.583 -0.323 711 HG21 VAL 94 3HG2 VAL 94 5.162 3.393 -3.037 712 HG22 VAL 94 1HG2 VAL 94 3.472 3.822 -3.304 713 HG23 VAL 94 2HG2 VAL 94 3.889 2.219 -2.697 714 H THR 95 H THR 95 2.810 1.955 1.771 715 HA THR 95 HA THR 95 2.255 4.476 3.177 716 HB THR 95 HB THR 95 1.001 3.216 4.790 717 HG1 THR 95 1HG THR 95 1.685 1.283 5.174 718 HG21 THR 95 3HG2 THR 95 -0.771 3.145 3.472 719 HG22 THR 95 1HG2 THR 95 -0.218 1.619 2.771 720 HG23 THR 95 2HG2 THR 95 0.276 3.158 2.055 721 H LYS 96 H LYS 96 4.450 4.892 3.298 722 HA LYS 96 HA LYS 96 6.097 5.220 4.961 723 HB2 LYS 96 2HB LYS 96 5.008 3.385 6.378 724 HB3 LYS 96 1HB LYS 96 6.034 2.258 5.505 725 HG2 LYS 96 2HG LYS 96 6.970 2.918 7.679 726 HG3 LYS 96 1HG LYS 96 8.018 3.349 6.326 727 HD2 LYS 96 2HD LYS 96 6.085 5.419 7.125 728 HD3 LYS 96 1HD LYS 96 7.321 5.043 8.326 729 HE2 LYS 96 2HE LYS 96 8.004 5.589 5.454 730 HE3 LYS 96 1HE LYS 96 7.837 6.888 6.635 731 HZ1 LYS 96 3HZ LYS 96 10.015 6.488 6.935 732 HZ2 LYS 96 1HZ LYS 96 9.936 4.905 6.343 733 HZ3 LYS 96 2HZ LYS 96 9.470 5.238 7.935 734 H GLU 97 H GLU 97 6.341 5.122 2.316 735 HA GLU 97 HA GLU 97 7.701 3.360 0.870 736 HB2 GLU 97 2HB GLU 97 7.192 5.844 0.378 737 HB3 GLU 97 1HB GLU 97 8.803 6.151 1.011 738 HG2 GLU 97 2HG GLU 97 9.805 4.818 -0.696 739 HG3 GLU 97 1HG GLU 97 8.229 4.254 -1.250 740 H VAL 98 H VAL 98 9.477 2.171 0.984 741 HA VAL 98 HA VAL 98 11.249 2.375 3.204 742 HB VAL 98 HB VAL 98 10.716 0.208 2.193 743 HG11 VAL 98 1HG1 VAL 98 12.513 0.347 -0.063 744 HG12 VAL 98 2HG1 VAL 98 11.196 1.508 -0.222 745 HG13 VAL 98 3HG1 VAL 98 10.840 -0.203 0.011 746 HG21 VAL 98 3HG2 VAL 98 13.151 1.043 3.132 747 HG22 VAL 98 1HG2 VAL 98 13.573 0.253 1.614 748 HG23 VAL 98 2HG2 VAL 98 12.679 -0.633 2.849 749 H ILE 99 H ILE 99 12.741 3.878 3.380 750 HA ILE 99 HA ILE 99 13.796 5.317 1.153 751 HB ILE 99 HB ILE 99 14.789 5.265 4.007 752 HG12 ILE 99 2HG1 ILE 99 13.509 7.599 3.832 753 HG13 ILE 99 1HG1 ILE 99 12.574 6.712 2.633 754 HG21 ILE 99 1HG2 ILE 99 16.507 6.188 2.695 755 HG22 ILE 99 2HG2 ILE 99 15.633 7.574 3.347 756 HG23 ILE 99 3HG2 ILE 99 15.369 7.071 1.678 757 HD11 ILE 99 3HD1 ILE 99 12.297 6.689 5.431 758 HD12 ILE 99 1HD1 ILE 99 12.865 5.089 4.951 759 HD13 ILE 99 2HD1 ILE 99 11.397 5.756 4.235 760 H ASN 100 H ASN 100 15.489 4.864 -0.081 761 HA ASN 100 HA ASN 100 17.084 2.512 0.501 762 HB2 ASN 100 2HB ASN 100 16.759 4.298 -1.894 763 HB3 ASN 100 1HB ASN 100 18.109 3.170 -1.795 764 HD21 ASN 100 1HD2 ASN 100 17.632 1.598 -3.164 765 HD22 ASN 100 2HD2 ASN 100 16.155 0.704 -3.193 766 H GLN 101 H GLN 101 19.158 2.499 1.154 767 HA GLN 101 HA GLN 101 20.312 4.855 2.216 768 HB2 GLN 101 2HB GLN 101 20.722 2.577 3.113 769 HB3 GLN 101 1HB GLN 101 21.644 2.201 1.666 770 HG2 GLN 101 2HG GLN 101 23.461 3.279 2.390 771 HG3 GLN 101 1HG GLN 101 22.524 4.624 3.039 772 HE21 GLN 101 1HE2 GLN 101 23.855 4.641 4.882 773 HE22 GLN 101 2HE2 GLN 101 23.671 3.466 6.135 774 H VAL 102 H VAL 102 22.196 5.965 1.587 775 HA VAL 102 HA VAL 102 23.075 5.531 -1.185 776 HB VAL 102 HB VAL 102 22.567 8.268 -0.016 777 HG11 VAL 102 1HG1 VAL 102 23.045 7.463 -2.879 778 HG12 VAL 102 2HG1 VAL 102 24.316 8.025 -1.794 779 HG13 VAL 102 3HG1 VAL 102 22.978 9.096 -2.213 780 HG21 VAL 102 3HG2 VAL 102 20.885 6.800 -2.044 781 HG22 VAL 102 1HG2 VAL 102 20.581 8.398 -1.361 782 HG23 VAL 102 2HG2 VAL 102 20.471 6.965 -0.337 783 H VAL 103 H VAL 103 25.085 4.773 -0.761 784 HA VAL 103 HA VAL 103 26.845 6.482 0.876 785 HB VAL 103 HB VAL 103 28.240 4.363 1.148 786 HG11 VAL 103 1HG1 VAL 103 27.351 4.825 3.158 787 HG12 VAL 103 2HG1 VAL 103 26.276 3.473 2.802 788 HG13 VAL 103 3HG1 VAL 103 25.747 5.127 2.490 789 HG21 VAL 103 3HG2 VAL 103 25.656 3.133 0.198 790 HG22 VAL 103 1HG2 VAL 103 26.938 2.247 1.021 791 HG23 VAL 103 2HG2 VAL 103 27.246 2.985 -0.551 792 H GLU 104 H GLU 104 28.001 7.672 -0.508 793 HA GLU 104 HA GLU 104 28.929 6.496 -3.014 794 HB2 GLU 104 2HB GLU 104 29.355 9.336 -2.100 795 HB3 GLU 104 1HB GLU 104 29.401 8.706 -3.741 796 HG2 GLU 104 2HG GLU 104 26.862 8.073 -2.946 797 HG3 GLU 104 1HG GLU 104 27.141 9.615 -2.137 798 H VAL 105 H VAL 105 30.771 5.392 -2.892 799 HA VAL 105 HA VAL 105 32.885 6.348 -1.085 800 HB VAL 105 HB VAL 105 33.899 4.084 -1.437 801 HG11 VAL 105 1HG1 VAL 105 32.833 4.191 0.587 802 HG12 VAL 105 2HG1 VAL 105 31.909 2.902 -0.184 803 HG13 VAL 105 3HG1 VAL 105 31.262 4.543 -0.134 804 HG21 VAL 105 3HG2 VAL 105 32.794 2.374 -2.562 805 HG22 VAL 105 1HG2 VAL 105 32.548 3.770 -3.613 806 HG23 VAL 105 2HG2 VAL 105 31.251 3.228 -2.547 807 H GLY 106 H GLY 106 34.919 6.819 -1.823 808 HA2 GLY 106 2HA GLY 106 35.199 7.700 -4.483 809 HA3 GLY 106 1HA GLY 106 36.506 7.528 -3.322 810 H ALA 107 H ALA 107 36.383 6.923 -6.216 811 HA ALA 107 HA ALA 107 37.898 4.551 -6.202 812 HB1 ALA 107 1HB ALA 107 35.206 4.150 -7.478 813 HB2 ALA 107 2HB ALA 107 35.564 3.639 -5.828 814 HB3 ALA 107 3HB ALA 107 36.466 2.952 -7.181 815 HA PRO 108 HA PRO 108 38.382 7.309 -9.886 816 HB2 PRO 108 2HB PRO 108 41.098 7.240 -9.874 817 HB3 PRO 108 1HB PRO 108 40.160 8.380 -8.902 818 HG2 PRO 108 2HG PRO 108 41.433 5.795 -8.088 819 HG3 PRO 108 1HG PRO 108 41.408 7.348 -7.230 820 HD2 PRO 108 2HD PRO 108 39.756 5.306 -6.584 821 HD3 PRO 108 1HD PRO 108 39.275 7.007 -6.419 822 H VAL 109 H VAL 109 37.824 6.091 -11.600 823 HA VAL 109 HA VAL 109 39.679 3.952 -12.412 824 HB VAL 109 HB VAL 109 37.695 2.776 -13.418 825 HG11 VAL 109 1HG1 VAL 109 38.800 2.154 -11.252 826 HG12 VAL 109 2HG1 VAL 109 37.120 1.640 -11.408 827 HG13 VAL 109 3HG1 VAL 109 37.525 3.047 -10.425 828 HG21 VAL 109 3HG2 VAL 109 36.045 4.458 -13.518 829 HG22 VAL 109 1HG2 VAL 109 36.239 4.860 -11.812 830 HG23 VAL 109 2HG2 VAL 109 35.494 3.331 -12.277 831 H THR 110 H THR 110 37.155 6.205 -13.491 832 HA THR 110 HA THR 110 38.701 6.717 -15.909 833 HB THR 110 HB THR 110 37.245 5.011 -16.715 834 HG1 THR 110 1HG THR 110 36.072 6.150 -18.233 835 HG21 THR 110 3HG2 THR 110 35.447 4.568 -15.463 836 HG22 THR 110 1HG2 THR 110 34.652 5.739 -16.515 837 HG23 THR 110 2HG2 THR 110 35.267 6.242 -14.940 838 H HIS 111 H HIS 111 37.583 8.534 -17.207 839 HA HIS 111 HA HIS 111 35.790 10.300 -15.955 840 HB2 HIS 111 2HB HIS 111 37.493 12.146 -15.491 841 HB3 HIS 111 1HB HIS 111 37.426 10.822 -14.331 842 HD1 HIS 111 1HD HIS 111 39.640 9.932 -13.703 843 HD2 HIS 111 2HD HIS 111 39.686 11.626 -17.496 844 HE1 HIS 111 1HE HIS 111 42.025 9.769 -14.483 845 HE2 HIS 111 2HE HIS 111 42.011 10.722 -16.815 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -18.405 29.497 20.031 2 H2 MET 1 2HT MET 1 -17.862 27.977 20.615 3 H3 MET 1 3HT MET 1 -19.108 28.051 19.438 4 HA MET 1 HA MET 1 -17.524 29.114 17.927 5 HB2 MET 1 2HB MET 1 -15.576 28.224 20.064 6 HB3 MET 1 1HB MET 1 -15.144 28.900 18.499 7 HG2 MET 1 2HG MET 1 -16.647 30.895 19.330 8 HG3 MET 1 1HG MET 1 -16.237 30.239 20.913 9 HE1 MET 1 2HE MET 1 -13.853 29.060 20.859 10 HE2 MET 1 3HE MET 1 -12.660 30.289 21.276 11 HE3 MET 1 1HE MET 1 -12.606 29.509 19.696 12 H GLY 2 H GLY 2 -17.514 27.695 16.312 13 HA2 GLY 2 2HA GLY 2 -16.189 25.233 16.327 14 HA3 GLY 2 1HA GLY 2 -17.882 24.925 16.685 15 H SER 3 H SER 3 -16.502 27.374 14.532 16 HA SER 3 HA SER 3 -18.336 26.760 12.454 17 HB2 SER 3 2HB SER 3 -17.341 28.517 11.251 18 HB3 SER 3 1HB SER 3 -17.118 28.990 12.935 19 HG SER 3 HG SER 3 -15.041 28.850 12.675 20 H SER 4 H SER 4 -15.050 25.790 13.162 21 HA SER 4 HA SER 4 -14.938 24.287 10.639 22 HB2 SER 4 2HB SER 4 -12.880 25.475 12.429 23 HB3 SER 4 1HB SER 4 -12.457 23.978 11.599 24 HG SER 4 HG SER 4 -13.231 25.121 9.644 25 H HIS 5 H HIS 5 -16.067 22.444 11.075 26 HA HIS 5 HA HIS 5 -15.272 20.872 13.426 27 HB2 HIS 5 2HB HIS 5 -17.342 19.541 12.921 28 HB3 HIS 5 1HB HIS 5 -17.642 21.225 13.338 29 HD1 HIS 5 1HD HIS 5 -17.211 19.171 10.160 30 HD2 HIS 5 2HD HIS 5 -19.328 22.437 11.612 31 HE1 HIS 5 1HE HIS 5 -18.738 19.869 8.287 32 HE2 HIS 5 2HE HIS 5 -20.070 21.793 9.220 33 H HIS 6 H HIS 6 -15.411 20.842 9.935 34 HA HIS 6 HA HIS 6 -14.506 19.463 8.370 35 HB2 HIS 6 2HB HIS 6 -12.801 18.850 10.764 36 HB3 HIS 6 1HB HIS 6 -12.577 17.963 9.261 37 HD1 HIS 6 1HD HIS 6 -10.996 18.990 7.659 38 HD2 HIS 6 2HD HIS 6 -12.534 21.783 10.324 39 HE1 HIS 6 1HE HIS 6 -9.793 21.140 7.150 40 HE2 HIS 6 2HE HIS 6 -10.679 22.794 8.833 41 H HIS 7 H HIS 7 -14.439 17.242 7.611 42 HA HIS 7 HA HIS 7 -16.595 15.699 8.724 43 HB2 HIS 7 2HB HIS 7 -14.810 15.403 6.324 44 HB3 HIS 7 1HB HIS 7 -15.863 14.085 6.826 45 HD1 HIS 7 1HD HIS 7 -17.312 17.405 7.382 46 HD2 HIS 7 2HD HIS 7 -17.206 14.605 4.315 47 HE1 HIS 7 1HE HIS 7 -19.146 18.075 5.797 48 HE2 HIS 7 2HE HIS 7 -19.119 16.317 3.993 49 H HIS 8 H HIS 8 -16.467 14.022 10.071 50 HA HIS 8 HA HIS 8 -13.841 13.166 10.982 51 HB2 HIS 8 2HB HIS 8 -16.094 13.679 12.364 52 HB3 HIS 8 1HB HIS 8 -16.293 11.946 12.123 53 HD1 HIS 8 1HD HIS 8 -13.366 14.153 13.181 54 HD2 HIS 8 2HD HIS 8 -15.293 10.631 14.248 55 HE1 HIS 8 1HE HIS 8 -12.110 13.278 15.175 56 HE2 HIS 8 2HE HIS 8 -13.241 11.101 15.751 57 H HIS 9 H HIS 9 -12.960 11.760 9.556 58 HA HIS 9 HA HIS 9 -14.538 9.665 8.342 59 HB2 HIS 9 2HB HIS 9 -11.616 10.403 8.196 60 HB3 HIS 9 1HB HIS 9 -12.272 8.976 7.401 61 HD1 HIS 9 1HD HIS 9 -11.286 10.407 5.265 62 HD2 HIS 9 2HD HIS 9 -14.763 11.794 7.067 63 HE1 HIS 9 1HE HIS 9 -12.350 11.940 3.579 64 HE2 HIS 9 2HE HIS 9 -14.408 12.835 4.726 65 H SER 10 H SER 10 -11.396 9.407 9.990 66 HA SER 10 HA SER 10 -12.196 6.811 11.039 67 HB2 SER 10 2HB SER 10 -9.679 7.071 11.933 68 HB3 SER 10 1HB SER 10 -10.050 6.537 10.295 69 HG SER 10 HG SER 10 -9.256 8.333 9.536 70 H SER 11 H SER 11 -12.532 6.349 13.151 71 HA SER 11 HA SER 11 -12.800 8.609 14.963 72 HB2 SER 11 2HB SER 11 -13.733 6.682 16.476 73 HB3 SER 11 1HB SER 11 -14.693 7.268 15.118 74 HG SER 11 HG SER 11 -14.241 5.468 13.998 75 H GLY 12 H GLY 12 -10.748 9.151 15.619 76 HA2 GLY 12 2HA GLY 12 -9.554 8.398 17.803 77 HA3 GLY 12 1HA GLY 12 -9.080 7.040 16.795 78 H LEU 13 H LEU 13 -6.942 7.329 16.541 79 HA LEU 13 HA LEU 13 -6.087 9.709 15.082 80 HB2 LEU 13 2HB LEU 13 -4.941 8.781 17.704 81 HB3 LEU 13 1HB LEU 13 -4.013 9.757 16.582 82 HG LEU 13 HG LEU 13 -6.680 10.640 17.667 83 HD11 LEU 13 1HD1 LEU 13 -5.302 12.089 19.188 84 HD12 LEU 13 2HD1 LEU 13 -3.920 11.072 18.782 85 HD13 LEU 13 3HD1 LEU 13 -5.323 10.372 19.591 86 HD21 LEU 13 3HD2 LEU 13 -5.311 12.874 17.130 87 HD22 LEU 13 1HD2 LEU 13 -6.320 12.056 15.937 88 HD23 LEU 13 2HD2 LEU 13 -4.576 11.797 15.943 89 H VAL 14 H VAL 14 -5.607 8.610 13.244 90 HA VAL 14 HA VAL 14 -3.754 6.334 13.453 91 HB VAL 14 HB VAL 14 -4.417 5.918 11.042 92 HG11 VAL 14 1HG1 VAL 14 -5.277 4.558 12.853 93 HG12 VAL 14 2HG1 VAL 14 -6.542 4.839 11.656 94 HG13 VAL 14 3HG1 VAL 14 -6.544 5.742 13.173 95 HG21 VAL 14 3HG2 VAL 14 -6.927 7.405 11.475 96 HG22 VAL 14 1HG2 VAL 14 -6.016 7.123 9.993 97 HG23 VAL 14 2HG2 VAL 14 -5.502 8.380 11.118 98 HA PRO 15 HA PRO 15 -0.500 8.716 11.657 99 HB2 PRO 15 2HB PRO 15 0.905 6.782 10.372 100 HB3 PRO 15 1HB PRO 15 0.897 6.953 12.131 101 HG2 PRO 15 2HG PRO 15 -0.673 5.079 10.403 102 HG3 PRO 15 1HG PRO 15 0.166 4.754 11.932 103 HD2 PRO 15 2HD PRO 15 -2.510 5.146 11.795 104 HD3 PRO 15 1HD PRO 15 -1.545 5.631 13.204 105 H ARG 16 H ARG 16 -0.445 9.998 9.926 106 HA ARG 16 HA ARG 16 -0.510 9.124 7.259 107 HB2 ARG 16 2HB ARG 16 -2.719 10.166 6.617 108 HB3 ARG 16 1HB ARG 16 -2.826 8.655 7.508 109 HG2 ARG 16 2HG ARG 16 -2.940 10.377 9.555 110 HG3 ARG 16 1HG ARG 16 -3.646 11.379 8.286 111 HD2 ARG 16 2HD ARG 16 -4.583 8.565 8.653 112 HD3 ARG 16 1HD ARG 16 -5.166 9.828 9.736 113 HE ARG 16 HE ARG 16 -5.879 9.442 6.981 114 HH11 ARG 16 1HH1 ARG 16 -5.639 11.773 9.566 115 HH12 ARG 16 2HH1 ARG 16 -6.824 12.836 8.888 116 HH21 ARG 16 1HH2 ARG 16 -7.439 10.839 6.086 117 HH22 ARG 16 2HH2 ARG 16 -7.848 12.305 6.911 118 H GLY 17 H GLY 17 -1.449 11.816 9.382 119 HA2 GLY 17 2HA GLY 17 -0.344 13.889 9.499 120 HA3 GLY 17 1HA GLY 17 0.450 13.528 7.974 121 H SER 18 H SER 18 -0.087 15.665 7.282 122 HA SER 18 HA SER 18 -2.663 15.765 5.970 123 HB2 SER 18 2HB SER 18 -2.059 18.238 7.500 124 HB3 SER 18 1HB SER 18 -3.615 17.521 7.083 125 HG SER 18 HG SER 18 -3.492 16.207 8.799 126 H HIS 19 H HIS 19 -1.461 15.738 4.063 127 HA HIS 19 HA HIS 19 -0.499 18.323 3.220 128 HB2 HIS 19 2HB HIS 19 1.513 17.324 4.264 129 HB3 HIS 19 1HB HIS 19 1.383 15.953 3.167 130 HD1 HIS 19 1HD HIS 19 2.024 19.684 3.094 131 HD2 HIS 19 2HD HIS 19 2.582 16.308 0.735 132 HE1 HIS 19 1HE HIS 19 3.430 20.445 1.154 133 HE2 HIS 19 2HE HIS 19 3.683 18.405 -0.304 134 H MET 20 H MET 20 -1.740 18.505 1.464 135 HA MET 20 HA MET 20 -2.425 16.254 -0.180 136 HB2 MET 20 2HB MET 20 -2.858 19.158 -0.862 137 HB3 MET 20 1HB MET 20 -3.772 17.766 -1.428 138 HG2 MET 20 2HG MET 20 -4.221 17.499 1.178 139 HG3 MET 20 1HG MET 20 -3.941 19.241 1.130 140 HE1 MET 20 3HE MET 20 -5.821 20.617 -1.347 141 HE2 MET 20 1HE MET 20 -5.110 20.850 0.250 142 HE3 MET 20 2HE MET 20 -6.864 20.817 0.061 143 H SER 21 H SER 21 -0.679 15.399 -1.204 144 HA SER 21 HA SER 21 0.651 17.139 -3.167 145 HB2 SER 21 2HB SER 21 2.740 15.704 -2.731 146 HB3 SER 21 1HB SER 21 2.328 16.917 -1.518 147 HG SER 21 HG SER 21 2.096 14.124 -1.400 148 H LEU 22 H LEU 22 0.200 13.744 -2.179 149 HA LEU 22 HA LEU 22 0.365 12.918 -4.975 150 HB2 LEU 22 2HB LEU 22 0.415 10.642 -4.107 151 HB3 LEU 22 1HB LEU 22 1.643 11.635 -3.346 152 HG LEU 22 HG LEU 22 -0.334 11.916 -1.538 153 HD11 LEU 22 1HD1 LEU 22 -2.007 10.544 -2.246 154 HD12 LEU 22 2HD1 LEU 22 -1.064 9.382 -1.314 155 HD13 LEU 22 3HD1 LEU 22 -0.906 9.440 -3.070 156 HD21 LEU 22 3HD2 LEU 22 2.069 11.109 -1.304 157 HD22 LEU 22 1HD2 LEU 22 1.425 9.481 -1.522 158 HD23 LEU 22 2HD2 LEU 22 0.892 10.464 -0.160 159 H ASP 23 H ASP 23 -1.899 12.989 -2.275 160 HA ASP 23 HA ASP 23 -4.166 13.170 -3.914 161 HB2 ASP 23 2HB ASP 23 -3.282 10.622 -4.004 162 HB3 ASP 23 1HB ASP 23 -4.312 10.528 -2.579 163 H GLU 24 H GLU 24 -6.195 12.295 -2.447 164 HA GLU 24 HA GLU 24 -5.820 13.688 0.107 165 HB2 GLU 24 2HB GLU 24 -8.137 13.266 -1.721 166 HB3 GLU 24 1HB GLU 24 -8.466 13.453 -0.005 167 HG2 GLU 24 2HG GLU 24 -7.522 15.617 0.037 168 HG3 GLU 24 1HG GLU 24 -6.816 15.416 -1.565 169 H ASN 25 H ASN 25 -6.767 10.629 -1.287 170 HA ASN 25 HA ASN 25 -7.138 8.576 -0.383 171 HB2 ASN 25 2HB ASN 25 -5.420 9.923 1.636 172 HB3 ASN 25 1HB ASN 25 -6.234 8.443 2.135 173 HD21 ASN 25 1HD2 ASN 25 -4.304 7.321 2.303 174 HD22 ASN 25 2HD2 ASN 25 -3.407 6.813 0.916 175 H GLU 26 H GLU 26 -9.265 8.246 -0.175 176 HA GLU 26 HA GLU 26 -10.484 8.681 2.413 177 HB2 GLU 26 2HB GLU 26 -10.922 10.811 1.274 178 HB3 GLU 26 1HB GLU 26 -11.652 9.947 -0.072 179 HG2 GLU 26 2HG GLU 26 -13.415 9.129 1.393 180 HG3 GLU 26 1HG GLU 26 -12.677 9.965 2.758 181 H VAL 27 H VAL 27 -12.393 7.456 2.734 182 HA VAL 27 HA VAL 27 -13.060 5.557 0.593 183 HB VAL 27 HB VAL 27 -13.289 3.785 2.395 184 HG11 VAL 27 1HG1 VAL 27 -10.697 4.886 1.404 185 HG12 VAL 27 2HG1 VAL 27 -11.533 3.401 0.954 186 HG13 VAL 27 3HG1 VAL 27 -10.698 3.507 2.503 187 HG21 VAL 27 3HG2 VAL 27 -12.940 5.767 4.157 188 HG22 VAL 27 1HG2 VAL 27 -11.269 5.223 4.009 189 HG23 VAL 27 2HG2 VAL 27 -12.524 4.090 4.509 190 H ALA 28 H ALA 28 -14.941 6.860 0.282 191 HA ALA 28 HA ALA 28 -17.210 5.948 1.686 192 HB1 ALA 28 1HB ALA 28 -17.864 7.758 2.993 193 HB2 ALA 28 2HB ALA 28 -16.733 8.860 2.207 194 HB3 ALA 28 3HB ALA 28 -16.135 7.626 3.317 195 H ALA 29 H ALA 29 -16.330 6.235 -1.012 196 HA ALA 29 HA ALA 29 -18.215 8.235 -2.066 197 HB1 ALA 29 1HB ALA 29 -15.611 7.989 -2.693 198 HB2 ALA 29 2HB ALA 29 -16.826 8.626 -3.800 199 HB3 ALA 29 3HB ALA 29 -16.324 6.940 -3.919 200 H ASN 30 H ASN 30 -19.008 5.635 -1.048 201 HA ASN 30 HA ASN 30 -20.397 3.916 -1.586 202 HB2 ASN 30 2HB ASN 30 -20.788 5.428 -4.178 203 HB3 ASN 30 1HB ASN 30 -21.848 4.181 -3.527 204 HD21 ASN 30 1HD2 ASN 30 -23.480 4.798 -2.292 205 HD22 ASN 30 2HD2 ASN 30 -23.680 6.365 -1.595 206 H VAL 31 H VAL 31 -19.059 2.184 -1.721 207 HA VAL 31 HA VAL 31 -17.290 1.717 -3.903 208 HB VAL 31 HB VAL 31 -18.294 -0.307 -1.900 209 HG11 VAL 31 1HG1 VAL 31 -15.766 -1.025 -2.436 210 HG12 VAL 31 2HG1 VAL 31 -16.200 -0.293 -3.982 211 HG13 VAL 31 3HG1 VAL 31 -17.156 -1.629 -3.339 212 HG21 VAL 31 3HG2 VAL 31 -17.031 2.006 -1.235 213 HG22 VAL 31 1HG2 VAL 31 -15.661 0.921 -1.474 214 HG23 VAL 31 2HG2 VAL 31 -16.924 0.506 -0.313 215 H GLU 32 H GLU 32 -17.518 0.463 -5.695 216 HA GLU 32 HA GLU 32 -20.086 -0.914 -6.087 217 HB2 GLU 32 2HB GLU 32 -20.144 -0.122 -8.414 218 HB3 GLU 32 1HB GLU 32 -20.203 1.214 -7.271 219 HG2 GLU 32 2HG GLU 32 -17.535 1.019 -7.710 220 HG3 GLU 32 1HG GLU 32 -18.181 0.529 -9.275 221 H THR 33 H THR 33 -17.470 -1.932 -5.328 222 HA THR 33 HA THR 33 -17.303 -4.073 -7.218 223 HB THR 33 HB THR 33 -14.816 -2.388 -6.930 224 HG1 THR 33 1HG THR 33 -15.328 -1.357 -8.734 225 HG21 THR 33 3HG2 THR 33 -15.441 -4.351 -9.102 226 HG22 THR 33 1HG2 THR 33 -14.666 -4.840 -7.595 227 HG23 THR 33 2HG2 THR 33 -13.884 -3.659 -8.645 228 H ARG 34 H ARG 34 -16.324 -5.876 -6.360 229 HA ARG 34 HA ARG 34 -15.533 -7.280 -4.755 230 HB2 ARG 34 2HB ARG 34 -14.038 -4.795 -3.902 231 HB3 ARG 34 1HB ARG 34 -13.737 -6.405 -3.261 232 HG2 ARG 34 2HG ARG 34 -13.377 -5.515 -6.113 233 HG3 ARG 34 1HG ARG 34 -12.103 -5.872 -4.945 234 HD2 ARG 34 2HD ARG 34 -14.053 -7.778 -6.213 235 HD3 ARG 34 1HD ARG 34 -12.294 -7.778 -6.339 236 HE ARG 34 HE ARG 34 -12.724 -8.114 -3.691 237 HH11 ARG 34 1HH1 ARG 34 -13.924 -9.754 -6.526 238 HH12 ARG 34 2HH1 ARG 34 -14.100 -11.278 -5.723 239 HH21 ARG 34 1HH2 ARG 34 -12.953 -10.118 -2.633 240 HH22 ARG 34 2HH2 ARG 34 -13.548 -11.485 -3.513 241 HA PRO 35 HA PRO 35 -18.193 -6.891 -1.265 242 HB2 PRO 35 2HB PRO 35 -16.948 -8.460 0.571 243 HB3 PRO 35 1HB PRO 35 -17.807 -9.114 -0.827 244 HG2 PRO 35 2HG PRO 35 -14.872 -8.665 -0.448 245 HG3 PRO 35 1HG PRO 35 -15.707 -10.055 -1.162 246 HD2 PRO 35 2HD PRO 35 -14.546 -8.132 -2.667 247 HD3 PRO 35 1HD PRO 35 -16.007 -8.995 -3.189 248 H GLU 36 H GLU 36 -14.750 -6.667 -0.370 249 HA GLU 36 HA GLU 36 -15.040 -4.106 0.802 250 HB2 GLU 36 2HB GLU 36 -14.488 -4.830 3.161 251 HB3 GLU 36 1HB GLU 36 -16.128 -5.170 2.628 252 HG2 GLU 36 2HG GLU 36 -14.285 -7.359 2.100 253 HG3 GLU 36 1HG GLU 36 -14.407 -6.948 3.810 254 H LEU 37 H LEU 37 -13.117 -3.137 0.716 255 HA LEU 37 HA LEU 37 -10.783 -4.712 0.056 256 HB2 LEU 37 2HB LEU 37 -11.256 -1.741 0.257 257 HB3 LEU 37 1HB LEU 37 -9.688 -2.435 -0.112 258 HG LEU 37 HG LEU 37 -12.194 -2.659 -1.780 259 HD11 LEU 37 1HD1 LEU 37 -10.761 -1.474 -3.447 260 HD12 LEU 37 2HD1 LEU 37 -9.575 -1.226 -2.166 261 HD13 LEU 37 3HD1 LEU 37 -11.182 -0.515 -2.028 262 HD21 LEU 37 3HD2 LEU 37 -10.716 -3.825 -3.402 263 HD22 LEU 37 1HD2 LEU 37 -11.018 -4.745 -1.929 264 HD23 LEU 37 2HD2 LEU 37 -9.479 -3.914 -2.148 265 H ILE 38 H ILE 38 -9.332 -5.399 1.457 266 HA ILE 38 HA ILE 38 -9.317 -4.250 4.154 267 HB ILE 38 HB ILE 38 -8.446 -6.247 4.996 268 HG12 ILE 38 2HG1 ILE 38 -7.906 -8.053 3.006 269 HG13 ILE 38 1HG1 ILE 38 -7.341 -6.546 2.294 270 HG21 ILE 38 1HG2 ILE 38 -9.915 -8.022 4.133 271 HG22 ILE 38 2HG2 ILE 38 -10.296 -7.007 2.742 272 HG23 ILE 38 3HG2 ILE 38 -10.764 -6.494 4.362 273 HD11 ILE 38 3HD1 ILE 38 -5.955 -8.179 4.039 274 HD12 ILE 38 1HD1 ILE 38 -6.467 -6.814 5.032 275 HD13 ILE 38 2HD1 ILE 38 -5.527 -6.533 3.565 276 H THR 39 H THR 39 -6.892 -4.742 5.113 277 HA THR 39 HA THR 39 -4.797 -3.930 3.268 278 HB THR 39 HB THR 39 -4.323 -1.924 4.890 279 HG1 THR 39 1HG THR 39 -5.982 -2.278 6.342 280 HG21 THR 39 3HG2 THR 39 -5.577 -2.084 2.410 281 HG22 THR 39 1HG2 THR 39 -4.857 -0.660 3.158 282 HG23 THR 39 2HG2 THR 39 -6.573 -0.996 3.375 283 H ARG 40 H ARG 40 -2.800 -4.337 4.019 284 HA ARG 40 HA ARG 40 -2.197 -4.814 6.774 285 HB2 ARG 40 2HB ARG 40 -1.432 -7.216 6.286 286 HB3 ARG 40 1HB ARG 40 -3.156 -6.950 6.517 287 HG2 ARG 40 2HG ARG 40 -3.664 -7.467 4.378 288 HG3 ARG 40 1HG ARG 40 -2.164 -6.789 3.741 289 HD2 ARG 40 2HD ARG 40 -2.410 -9.299 3.572 290 HD3 ARG 40 1HD ARG 40 -0.930 -8.715 4.332 291 HE ARG 40 HE ARG 40 -1.573 -9.746 6.265 292 HH11 ARG 40 1HH1 ARG 40 -4.376 -9.391 4.214 293 HH12 ARG 40 2HH1 ARG 40 -5.406 -10.319 5.251 294 HH21 ARG 40 1HH2 ARG 40 -2.928 -10.966 7.630 295 HH22 ARG 40 2HH2 ARG 40 -4.586 -11.212 7.191 296 H THR 41 H THR 41 -0.368 -3.661 6.755 297 HA THR 41 HA THR 41 1.351 -3.648 4.437 298 HB THR 41 HB THR 41 0.918 -1.602 5.774 299 HG1 THR 41 1HG THR 41 3.566 -2.541 5.511 300 HG21 THR 41 3HG2 THR 41 2.877 -2.353 7.832 301 HG22 THR 41 1HG2 THR 41 1.268 -3.056 7.997 302 HG23 THR 41 2HG2 THR 41 1.462 -1.305 7.929 303 H GLU 42 H GLU 42 3.065 -4.724 4.075 304 HA GLU 42 HA GLU 42 4.024 -6.589 6.117 305 HB2 GLU 42 2HB GLU 42 5.212 -6.774 3.436 306 HB3 GLU 42 1HB GLU 42 4.516 -8.031 4.446 307 HG2 GLU 42 2HG GLU 42 2.250 -6.978 3.762 308 HG3 GLU 42 1HG GLU 42 3.183 -6.250 2.454 309 H GLU 43 H GLU 43 6.170 -6.689 6.692 310 HA GLU 43 HA GLU 43 7.552 -4.227 6.789 311 HB2 GLU 43 2HB GLU 43 8.574 -7.006 7.402 312 HB3 GLU 43 1HB GLU 43 9.356 -5.503 7.872 313 HG2 GLU 43 2HG GLU 43 6.543 -5.961 8.713 314 HG3 GLU 43 1HG GLU 43 7.828 -6.845 9.537 315 H ILE 44 H ILE 44 8.045 -3.448 4.783 316 HA ILE 44 HA ILE 44 9.494 -5.079 2.873 317 HB ILE 44 HB ILE 44 8.717 -2.164 2.716 318 HG12 ILE 44 2HG1 ILE 44 7.200 -3.616 0.887 319 HG13 ILE 44 1HG1 ILE 44 7.207 -4.630 2.328 320 HG21 ILE 44 1HG2 ILE 44 10.625 -2.839 1.277 321 HG22 ILE 44 2HG2 ILE 44 9.210 -2.307 0.370 322 HG23 ILE 44 3HG2 ILE 44 9.573 -4.027 0.507 323 HD11 ILE 44 3HD1 ILE 44 6.431 -2.660 3.630 324 HD12 ILE 44 1HD1 ILE 44 5.285 -3.213 2.406 325 HD13 ILE 44 2HD1 ILE 44 6.281 -1.771 2.122 326 HA PRO 45 HA PRO 45 13.310 -3.498 4.727 327 HB2 PRO 45 2HB PRO 45 14.724 -5.524 3.239 328 HB3 PRO 45 1HB PRO 45 14.415 -5.450 4.974 329 HG2 PRO 45 2HG PRO 45 13.302 -7.309 3.290 330 HG3 PRO 45 1HG PRO 45 12.588 -6.805 4.831 331 HD2 PRO 45 2HD PRO 45 11.896 -5.952 2.049 332 HD3 PRO 45 1HD PRO 45 10.826 -6.284 3.429 333 H PHE 46 H PHE 46 15.113 -2.375 3.961 334 HA PHE 46 HA PHE 46 14.866 -1.377 1.251 335 HB2 PHE 46 2HB PHE 46 16.598 0.244 1.935 336 HB3 PHE 46 1HB PHE 46 15.248 0.225 3.060 337 HD1 PHE 46 2HD PHE 46 18.770 -0.644 2.576 338 HD2 PHE 46 1HD PHE 46 15.510 -0.562 5.311 339 HE1 PHE 46 2HE PHE 46 20.327 -1.032 4.442 340 HE2 PHE 46 1HE PHE 46 17.063 -0.946 7.180 341 HZ PHE 46 HZ PHE 46 19.474 -1.183 6.746 342 H GLU 47 H GLU 47 17.232 -0.818 0.311 343 HA GLU 47 HA GLU 47 18.917 -3.209 0.478 344 HB2 GLU 47 2HB GLU 47 17.346 -3.494 -1.426 345 HB3 GLU 47 1HB GLU 47 17.972 -2.009 -2.132 346 HG2 GLU 47 2HG GLU 47 20.258 -3.424 -1.739 347 HG3 GLU 47 1HG GLU 47 19.103 -4.707 -2.099 348 H VAL 48 H VAL 48 20.832 -2.461 1.086 349 HA VAL 48 HA VAL 48 21.704 0.202 0.694 350 HB VAL 48 HB VAL 48 23.384 -2.212 1.390 351 HG11 VAL 48 1HG1 VAL 48 24.043 0.541 0.961 352 HG12 VAL 48 2HG1 VAL 48 25.102 -0.807 1.372 353 HG13 VAL 48 3HG1 VAL 48 24.322 0.123 2.651 354 HG21 VAL 48 3HG2 VAL 48 22.890 -1.884 3.645 355 HG22 VAL 48 1HG2 VAL 48 21.330 -1.688 2.846 356 HG23 VAL 48 2HG2 VAL 48 22.239 -0.269 3.365 357 H ILE 49 H ILE 49 23.147 1.085 -0.735 358 HA ILE 49 HA ILE 49 24.119 -0.644 -2.911 359 HB ILE 49 HB ILE 49 23.022 2.141 -3.308 360 HG12 ILE 49 2HG1 ILE 49 21.752 -0.407 -4.286 361 HG13 ILE 49 1HG1 ILE 49 21.355 0.268 -2.709 362 HG21 ILE 49 1HG2 ILE 49 24.597 1.795 -4.983 363 HG22 ILE 49 2HG2 ILE 49 23.082 1.309 -5.743 364 HG23 ILE 49 3HG2 ILE 49 24.199 0.085 -5.139 365 HD11 ILE 49 3HD1 ILE 49 20.463 1.057 -5.346 366 HD12 ILE 49 1HD1 ILE 49 21.096 2.415 -4.417 367 HD13 ILE 49 2HD1 ILE 49 19.788 1.432 -3.760 368 H LYS 50 H LYS 50 25.991 0.161 -4.036 369 HA LYS 50 HA LYS 50 27.502 2.220 -2.579 370 HB2 LYS 50 2HB LYS 50 29.541 0.864 -2.782 371 HB3 LYS 50 1HB LYS 50 28.313 0.045 -1.825 372 HG2 LYS 50 2HG LYS 50 27.740 -0.978 -4.229 373 HG3 LYS 50 1HG LYS 50 29.463 -0.662 -4.450 374 HD2 LYS 50 2HD LYS 50 29.572 -2.763 -3.561 375 HD3 LYS 50 1HD LYS 50 29.610 -1.815 -2.074 376 HE2 LYS 50 2HE LYS 50 28.036 -3.594 -1.786 377 HE3 LYS 50 1HE LYS 50 27.141 -2.082 -1.916 378 HZ1 LYS 50 3HZ LYS 50 27.582 -3.933 -4.193 379 HZ2 LYS 50 1HZ LYS 50 26.556 -2.587 -4.151 380 HZ3 LYS 50 2HZ LYS 50 26.197 -3.953 -3.220 381 H LYS 51 H LYS 51 27.443 3.802 -4.083 382 HA LYS 51 HA LYS 51 28.032 3.160 -6.871 383 HB2 LYS 51 2HB LYS 51 27.309 5.850 -5.712 384 HB3 LYS 51 1HB LYS 51 27.260 5.366 -7.402 385 HG2 LYS 51 2HG LYS 51 25.491 3.704 -6.774 386 HG3 LYS 51 1HG LYS 51 25.453 4.456 -5.178 387 HD2 LYS 51 2HD LYS 51 24.370 6.289 -5.928 388 HD3 LYS 51 1HD LYS 51 25.252 6.311 -7.456 389 HE2 LYS 51 2HE LYS 51 23.771 4.075 -7.774 390 HE3 LYS 51 1HE LYS 51 22.691 5.027 -6.755 391 HZ1 LYS 51 3HZ LYS 51 22.604 6.735 -8.337 392 HZ2 LYS 51 1HZ LYS 51 22.456 5.310 -9.240 393 HZ3 LYS 51 2HZ LYS 51 23.930 6.139 -9.203 394 H GLU 52 H GLU 52 29.422 4.887 -8.017 395 HA GLU 52 HA GLU 52 31.848 5.299 -6.398 396 HB2 GLU 52 2HB GLU 52 33.001 5.341 -8.672 397 HB3 GLU 52 1HB GLU 52 32.391 3.786 -8.124 398 HG2 GLU 52 2HG GLU 52 30.433 4.041 -9.546 399 HG3 GLU 52 1HG GLU 52 31.016 5.616 -10.079 400 H ASN 53 H ASN 53 32.828 7.273 -6.359 401 HA ASN 53 HA ASN 53 31.721 9.412 -8.026 402 HB2 ASN 53 2HB ASN 53 30.565 9.440 -5.817 403 HB3 ASN 53 1HB ASN 53 32.128 9.677 -5.042 404 HD21 ASN 53 1HD2 ASN 53 30.342 11.507 -4.484 405 HD22 ASN 53 2HD2 ASN 53 30.630 12.983 -5.337 406 HA PRO 54 HA PRO 54 36.211 9.841 -8.358 407 HB2 PRO 54 2HB PRO 54 36.151 11.688 -10.356 408 HB3 PRO 54 1HB PRO 54 35.960 9.953 -10.636 409 HG2 PRO 54 2HG PRO 54 33.866 12.083 -10.433 410 HG3 PRO 54 1HG PRO 54 33.988 10.739 -11.585 411 HD2 PRO 54 2HD PRO 54 32.345 10.658 -9.443 412 HD3 PRO 54 1HD PRO 54 33.147 9.205 -10.078 413 H ASN 55 H ASN 55 33.820 12.355 -7.907 414 HA ASN 55 HA ASN 55 35.511 14.542 -7.471 415 HB2 ASN 55 2HB ASN 55 32.858 14.291 -7.596 416 HB3 ASN 55 1HB ASN 55 33.028 14.305 -5.843 417 HD21 ASN 55 1HD2 ASN 55 34.585 16.087 -5.070 418 HD22 ASN 55 2HD2 ASN 55 34.321 17.648 -5.764 419 H LEU 56 H LEU 56 34.549 11.908 -5.376 420 HA LEU 56 HA LEU 56 35.400 13.026 -2.928 421 HB2 LEU 56 2HB LEU 56 34.787 10.289 -3.921 422 HB3 LEU 56 1HB LEU 56 35.687 10.428 -2.423 423 HG LEU 56 HG LEU 56 33.886 11.694 -1.405 424 HD11 LEU 56 1HD1 LEU 56 32.778 12.988 -2.885 425 HD12 LEU 56 2HD1 LEU 56 31.690 11.600 -2.939 426 HD13 LEU 56 3HD1 LEU 56 32.916 11.808 -4.190 427 HD21 LEU 56 3HD2 LEU 56 32.446 9.437 -2.709 428 HD22 LEU 56 1HD2 LEU 56 32.492 9.918 -1.012 429 HD23 LEU 56 2HD2 LEU 56 33.872 9.086 -1.731 430 HA PRO 57 HA PRO 57 39.775 12.402 -3.123 431 HB2 PRO 57 2HB PRO 57 40.440 12.154 -0.557 432 HB3 PRO 57 1HB PRO 57 39.688 13.637 -1.159 433 HG2 PRO 57 2HG PRO 57 38.473 11.383 0.381 434 HG3 PRO 57 1HG PRO 57 38.182 13.126 0.522 435 HD2 PRO 57 2HD PRO 57 36.579 11.321 -0.874 436 HD3 PRO 57 1HD PRO 57 36.567 13.082 -1.078 437 H ALA 58 H ALA 58 38.183 9.880 -3.457 438 HA ALA 58 HA ALA 58 38.577 7.649 -3.641 439 HB1 ALA 58 1HB ALA 58 40.864 6.871 -3.696 440 HB2 ALA 58 2HB ALA 58 41.417 8.352 -2.914 441 HB3 ALA 58 3HB ALA 58 40.743 8.415 -4.542 442 H GLY 59 H GLY 59 38.438 5.836 -2.366 443 HA2 GLY 59 2HA GLY 59 38.155 4.628 -0.436 444 HA3 GLY 59 1HA GLY 59 39.565 5.484 0.166 445 H GLN 60 H GLN 60 36.679 7.187 -0.789 446 HA GLN 60 HA GLN 60 36.221 7.864 2.039 447 HB2 GLN 60 2HB GLN 60 36.852 9.677 0.330 448 HB3 GLN 60 1HB GLN 60 35.230 9.461 -0.314 449 HG2 GLN 60 2HG GLN 60 34.747 9.763 2.355 450 HG3 GLN 60 1HG GLN 60 36.128 10.827 2.102 451 HE21 GLN 60 1HE2 GLN 60 32.799 10.222 1.368 452 HE22 GLN 60 2HE2 GLN 60 32.466 11.750 0.633 453 H GLU 61 H GLU 61 34.192 7.722 2.921 454 HA GLU 61 HA GLU 61 32.013 6.771 1.203 455 HB2 GLU 61 2HB GLU 61 32.701 5.517 3.866 456 HB3 GLU 61 1HB GLU 61 31.419 5.024 2.770 457 HG2 GLU 61 2HG GLU 61 32.941 4.164 1.204 458 HG3 GLU 61 1HG GLU 61 34.307 4.978 1.964 459 H ASN 62 H ASN 62 30.220 7.906 1.518 460 HA ASN 62 HA ASN 62 29.759 9.128 4.153 461 HB2 ASN 62 2HB ASN 62 28.816 11.120 2.971 462 HB3 ASN 62 1HB ASN 62 30.549 10.910 2.736 463 HD21 ASN 62 1HD2 ASN 62 28.706 12.381 1.096 464 HD22 ASN 62 2HD2 ASN 62 28.753 11.668 -0.477 465 H ILE 63 H ILE 63 27.659 9.168 4.867 466 HA ILE 63 HA ILE 63 25.799 7.477 3.380 467 HB ILE 63 HB ILE 63 25.516 8.569 6.180 468 HG12 ILE 63 2HG1 ILE 63 27.504 7.104 5.919 469 HG13 ILE 63 1HG1 ILE 63 26.275 6.400 6.966 470 HG21 ILE 63 1HG2 ILE 63 24.057 6.350 4.753 471 HG22 ILE 63 2HG2 ILE 63 23.400 7.937 5.154 472 HG23 ILE 63 3HG2 ILE 63 23.833 6.811 6.440 473 HD11 ILE 63 3HD1 ILE 63 25.549 5.331 4.613 474 HD12 ILE 63 1HD1 ILE 63 26.683 4.571 5.728 475 HD13 ILE 63 2HD1 ILE 63 27.286 5.501 4.356 476 H ILE 64 H ILE 64 24.956 8.801 1.801 477 HA ILE 64 HA ILE 64 24.001 11.441 2.338 478 HB ILE 64 HB ILE 64 23.222 9.728 -0.015 479 HG12 ILE 64 2HG1 ILE 64 25.643 9.651 0.146 480 HG13 ILE 64 1HG1 ILE 64 25.185 10.717 -1.178 481 HG21 ILE 64 1HG2 ILE 64 22.913 11.815 -1.158 482 HG22 ILE 64 2HG2 ILE 64 23.555 12.713 0.217 483 HG23 ILE 64 3HG2 ILE 64 22.016 11.864 0.359 484 HD11 ILE 64 3HD1 ILE 64 25.381 12.500 0.828 485 HD12 ILE 64 1HD1 ILE 64 26.709 12.071 -0.250 486 HD13 ILE 64 2HD1 ILE 64 26.579 11.309 1.335 487 H THR 65 H THR 65 22.592 8.241 2.268 488 HA THR 65 HA THR 65 20.303 9.109 3.738 489 HB THR 65 HB THR 65 19.690 7.965 1.021 490 HG1 THR 65 1HG THR 65 19.870 10.687 1.777 491 HG21 THR 65 3HG2 THR 65 18.106 9.018 3.269 492 HG22 THR 65 1HG2 THR 65 17.719 7.770 2.086 493 HG23 THR 65 2HG2 THR 65 17.580 9.473 1.649 494 H ALA 66 H ALA 66 21.176 7.514 5.135 495 HA ALA 66 HA ALA 66 21.782 4.891 4.554 496 HB1 ALA 66 1HB ALA 66 20.823 6.289 6.997 497 HB2 ALA 66 2HB ALA 66 22.341 5.441 6.699 498 HB3 ALA 66 3HB ALA 66 20.864 4.525 6.998 499 H GLY 67 H GLY 67 20.679 3.082 4.090 500 HA2 GLY 67 2HA GLY 67 18.015 3.173 3.230 501 HA3 GLY 67 1HA GLY 67 18.924 1.703 3.555 502 H VAL 68 H VAL 68 16.102 2.956 4.219 503 HA VAL 68 HA VAL 68 16.071 1.894 6.965 504 HB VAL 68 HB VAL 68 14.399 4.236 6.052 505 HG11 VAL 68 1HG1 VAL 68 13.779 2.577 8.010 506 HG12 VAL 68 2HG1 VAL 68 13.519 4.315 8.160 507 HG13 VAL 68 3HG1 VAL 68 14.935 3.567 8.900 508 HG21 VAL 68 3HG2 VAL 68 17.012 4.163 7.538 509 HG22 VAL 68 1HG2 VAL 68 15.908 5.535 7.629 510 HG23 VAL 68 2HG2 VAL 68 16.606 5.066 6.079 511 H LYS 69 H LYS 69 14.468 0.499 7.423 512 HA LYS 69 HA LYS 69 13.007 -0.709 5.358 513 HB2 LYS 69 2HB LYS 69 12.353 -0.829 8.304 514 HB3 LYS 69 1HB LYS 69 11.939 -2.015 7.075 515 HG2 LYS 69 2HG LYS 69 14.602 -2.011 6.797 516 HG3 LYS 69 1HG LYS 69 14.481 -1.569 8.501 517 HD2 LYS 69 2HD LYS 69 13.616 -3.588 9.102 518 HD3 LYS 69 1HD LYS 69 12.790 -3.813 7.559 519 HE2 LYS 69 2HE LYS 69 14.437 -5.384 7.357 520 HE3 LYS 69 1HE LYS 69 15.258 -3.992 6.654 521 HZ1 LYS 69 3HZ LYS 69 15.542 -4.973 9.443 522 HZ2 LYS 69 1HZ LYS 69 16.284 -3.583 8.827 523 HZ3 LYS 69 2HZ LYS 69 16.695 -5.105 8.213 524 H GLY 70 H GLY 70 11.325 0.062 4.287 525 HA2 GLY 70 2HA GLY 70 9.690 2.181 5.437 526 HA3 GLY 70 1HA GLY 70 9.631 1.597 3.779 527 H GLU 71 H GLU 71 7.348 1.394 3.767 528 HA GLU 71 HA GLU 71 6.437 -1.101 4.757 529 HB2 GLU 71 2HB GLU 71 6.158 1.044 6.528 530 HB3 GLU 71 1HB GLU 71 4.579 0.890 5.771 531 HG2 GLU 71 2HG GLU 71 4.147 -0.685 7.268 532 HG3 GLU 71 1HG GLU 71 5.264 -1.713 6.370 533 H ARG 72 H ARG 72 4.567 -1.712 3.740 534 HA ARG 72 HA ARG 72 3.296 0.198 1.958 535 HB2 ARG 72 2HB ARG 72 5.111 -1.130 0.703 536 HB3 ARG 72 1HB ARG 72 4.066 -2.529 0.925 537 HG2 ARG 72 2HG ARG 72 2.505 -1.765 -0.544 538 HG3 ARG 72 1HG ARG 72 2.895 -0.074 -0.240 539 HD2 ARG 72 2HD ARG 72 3.562 -0.903 -2.503 540 HD3 ARG 72 1HD ARG 72 4.871 -0.203 -1.556 541 HE ARG 72 HE ARG 72 5.767 -2.363 -1.240 542 HH11 ARG 72 1HH1 ARG 72 2.943 -2.382 -3.304 543 HH12 ARG 72 2HH1 ARG 72 3.302 -3.934 -3.980 544 HH21 ARG 72 1HH2 ARG 72 6.227 -4.401 -2.132 545 HH22 ARG 72 2HH2 ARG 72 5.162 -5.081 -3.315 546 H THR 73 H THR 73 1.318 0.165 2.614 547 HA THR 73 HA THR 73 0.242 -2.089 4.010 548 HB THR 73 HB THR 73 -1.215 0.318 2.911 549 HG1 THR 73 1HG THR 73 -0.436 1.344 4.552 550 HG21 THR 73 3HG2 THR 73 -2.217 -1.026 5.298 551 HG22 THR 73 1HG2 THR 73 -2.338 -1.956 3.801 552 HG23 THR 73 2HG2 THR 73 -3.082 -0.356 3.912 553 H HIS 74 H HIS 74 -0.669 -3.813 3.179 554 HA HIS 74 HA HIS 74 -1.286 -3.738 0.338 555 HB2 HIS 74 2HB HIS 74 -0.052 -5.736 2.107 556 HB3 HIS 74 1HB HIS 74 -1.079 -6.363 0.797 557 HD1 HIS 74 1HD HIS 74 1.706 -3.938 1.372 558 HD2 HIS 74 2HD HIS 74 0.102 -6.268 -1.654 559 HE1 HIS 74 1HE HIS 74 3.199 -3.559 -0.631 560 HE2 HIS 74 2HE HIS 74 1.989 -4.724 -2.510 561 H TYR 75 H TYR 75 -3.158 -3.725 -0.333 562 HA TYR 75 HA TYR 75 -5.380 -4.323 1.406 563 HB2 TYR 75 2HB TYR 75 -5.817 -3.404 -1.388 564 HB3 TYR 75 1HB TYR 75 -6.602 -2.886 0.100 565 HD1 TYR 75 2HD TYR 75 -3.786 -2.341 1.489 566 HD2 TYR 75 1HD TYR 75 -5.565 -1.085 -2.168 567 HE1 TYR 75 2HE TYR 75 -2.370 -0.333 1.490 568 HE2 TYR 75 1HE TYR 75 -4.182 0.945 -2.135 569 HH TYR 75 HH TYR 75 -2.748 2.148 0.397 570 H ILE 76 H ILE 76 -5.687 -6.447 1.551 571 HA ILE 76 HA ILE 76 -5.656 -8.151 -0.793 572 HB ILE 76 HB ILE 76 -6.131 -8.729 2.133 573 HG12 ILE 76 2HG1 ILE 76 -3.960 -9.882 1.978 574 HG13 ILE 76 1HG1 ILE 76 -3.833 -9.422 0.284 575 HG21 ILE 76 1HG2 ILE 76 -6.684 -10.362 -0.218 576 HG22 ILE 76 2HG2 ILE 76 -7.199 -10.571 1.455 577 HG23 ILE 76 3HG2 ILE 76 -5.614 -11.149 0.942 578 HD11 ILE 76 3HD1 ILE 76 -4.105 -7.364 2.440 579 HD12 ILE 76 1HD1 ILE 76 -3.474 -7.183 0.804 580 HD13 ILE 76 2HD1 ILE 76 -2.542 -8.060 2.016 581 H SER 77 H SER 77 -7.414 -9.204 -1.667 582 HA SER 77 HA SER 77 -9.997 -7.982 -1.118 583 HB2 SER 77 2HB SER 77 -8.967 -9.773 -3.314 584 HB3 SER 77 1HB SER 77 -10.683 -9.410 -3.140 585 HG SER 77 HG SER 77 -10.249 -7.651 -4.187 586 H VAL 78 H VAL 78 -11.455 -8.883 0.169 587 HA VAL 78 HA VAL 78 -11.040 -11.543 1.206 588 HB VAL 78 HB VAL 78 -13.382 -9.712 1.727 589 HG11 VAL 78 1HG1 VAL 78 -12.317 -11.637 3.721 590 HG12 VAL 78 2HG1 VAL 78 -13.239 -12.284 2.364 591 HG13 VAL 78 3HG1 VAL 78 -13.973 -11.094 3.441 592 HG21 VAL 78 3HG2 VAL 78 -11.782 -8.335 2.536 593 HG22 VAL 78 1HG2 VAL 78 -10.596 -9.630 2.697 594 HG23 VAL 78 2HG2 VAL 78 -11.852 -9.429 3.917 595 H LEU 79 H LEU 79 -11.453 -13.075 -0.316 596 HA LEU 79 HA LEU 79 -14.121 -13.044 -1.565 597 HB2 LEU 79 2HB LEU 79 -12.217 -12.965 -3.137 598 HB3 LEU 79 1HB LEU 79 -11.626 -14.478 -2.478 599 HG LEU 79 HG LEU 79 -14.037 -15.328 -3.175 600 HD11 LEU 79 1HD1 LEU 79 -14.827 -14.288 -5.208 601 HD12 LEU 79 2HD1 LEU 79 -13.522 -13.101 -5.143 602 HD13 LEU 79 3HD1 LEU 79 -14.784 -13.097 -3.908 603 HD21 LEU 79 3HD2 LEU 79 -12.368 -16.522 -4.149 604 HD22 LEU 79 1HD2 LEU 79 -11.488 -15.084 -4.665 605 HD23 LEU 79 2HD2 LEU 79 -12.903 -15.624 -5.569 606 H THR 80 H THR 80 -15.528 -14.556 -0.971 607 HA THR 80 HA THR 80 -14.662 -16.657 0.843 608 HB THR 80 HB THR 80 -17.495 -16.256 -0.067 609 HG1 THR 80 1HG THR 80 -17.392 -14.304 0.673 610 HG21 THR 80 3HG2 THR 80 -17.377 -16.567 2.687 611 HG22 THR 80 1HG2 THR 80 -16.185 -17.701 2.051 612 HG23 THR 80 2HG2 THR 80 -17.859 -17.776 1.496 613 H GLU 81 H GLU 81 -14.142 -18.611 0.145 614 HA GLU 81 HA GLU 81 -15.398 -19.606 -2.330 615 HB2 GLU 81 2HB GLU 81 -12.777 -19.032 -2.129 616 HB3 GLU 81 1HB GLU 81 -12.752 -20.687 -1.536 617 HG2 GLU 81 2HG GLU 81 -12.569 -21.252 -3.680 618 HG3 GLU 81 1HG GLU 81 -14.298 -20.918 -3.766 619 H ASN 82 H ASN 82 -16.994 -20.820 -1.392 620 HA ASN 82 HA ASN 82 -17.971 -22.610 -0.385 621 HB2 ASN 82 2HB ASN 82 -15.208 -23.833 -0.350 622 HB3 ASN 82 1HB ASN 82 -16.751 -24.682 -0.313 623 HD21 ASN 82 1HD2 ASN 82 -14.239 -23.867 -2.231 624 HD22 ASN 82 2HD2 ASN 82 -15.005 -23.950 -3.777 625 H GLY 83 H GLY 83 -17.074 -20.468 1.265 626 HA2 GLY 83 2HA GLY 83 -17.286 -20.148 3.571 627 HA3 GLY 83 1HA GLY 83 -17.050 -21.872 3.810 628 H LYS 84 H LYS 84 -14.865 -19.979 1.861 629 HA LYS 84 HA LYS 84 -12.894 -20.005 4.043 630 HB2 LYS 84 2HB LYS 84 -12.473 -21.907 2.516 631 HB3 LYS 84 1HB LYS 84 -12.333 -20.779 1.174 632 HG2 LYS 84 2HG LYS 84 -10.143 -20.899 1.620 633 HG3 LYS 84 1HG LYS 84 -10.525 -19.737 2.892 634 HD2 LYS 84 2HD LYS 84 -10.960 -22.518 3.678 635 HD3 LYS 84 1HD LYS 84 -9.285 -22.159 3.257 636 HE2 LYS 84 2HE LYS 84 -9.278 -21.616 5.482 637 HE3 LYS 84 1HE LYS 84 -9.691 -20.055 4.774 638 HZ1 LYS 84 3HZ LYS 84 -11.083 -21.249 6.726 639 HZ2 LYS 84 1HZ LYS 84 -11.954 -21.755 5.365 640 HZ3 LYS 84 2HZ LYS 84 -11.732 -20.105 5.663 641 H THR 85 H THR 85 -11.944 -18.101 4.354 642 HA THR 85 HA THR 85 -12.485 -15.929 2.518 643 HB THR 85 HB THR 85 -10.728 -15.543 4.888 644 HG1 THR 85 1HG THR 85 -12.103 -16.527 6.119 645 HG21 THR 85 3HG2 THR 85 -13.075 -13.895 4.746 646 HG22 THR 85 1HG2 THR 85 -12.196 -13.871 3.217 647 HG23 THR 85 2HG2 THR 85 -11.371 -13.438 4.714 648 H THR 86 H THR 86 -11.241 -15.980 0.732 649 HA THR 86 HA THR 86 -8.547 -16.867 0.685 650 HB THR 86 HB THR 86 -9.657 -15.018 -1.394 651 HG1 THR 86 1HG THR 86 -10.438 -17.712 -0.983 652 HG21 THR 86 3HG2 THR 86 -8.210 -15.968 -2.802 653 HG22 THR 86 1HG2 THR 86 -8.478 -17.585 -2.151 654 HG23 THR 86 2HG2 THR 86 -7.378 -16.476 -1.332 655 H GLU 87 H GLU 87 -6.660 -15.785 0.873 656 HA GLU 87 HA GLU 87 -6.825 -12.897 1.439 657 HB2 GLU 87 2HB GLU 87 -4.675 -13.316 2.749 658 HB3 GLU 87 1HB GLU 87 -6.165 -13.934 3.449 659 HG2 GLU 87 2HG GLU 87 -4.789 -15.838 1.715 660 HG3 GLU 87 1HG GLU 87 -3.864 -15.350 3.133 661 H THR 88 H THR 88 -6.521 -12.375 -0.773 662 HA THR 88 HA THR 88 -3.726 -12.653 -1.639 663 HB THR 88 HB THR 88 -6.157 -12.930 -3.417 664 HG1 THR 88 1HG THR 88 -5.964 -14.951 -2.965 665 HG21 THR 88 3HG2 THR 88 -3.234 -12.844 -4.046 666 HG22 THR 88 1HG2 THR 88 -4.562 -11.966 -4.806 667 HG23 THR 88 2HG2 THR 88 -4.380 -13.700 -5.078 668 H VAL 89 H VAL 89 -2.791 -10.789 -2.216 669 HA VAL 89 HA VAL 89 -4.371 -8.364 -2.136 670 HB VAL 89 HB VAL 89 -2.196 -8.442 -0.991 671 HG11 VAL 89 1HG1 VAL 89 -0.234 -8.977 -1.969 672 HG12 VAL 89 2HG1 VAL 89 -0.664 -8.213 -3.499 673 HG13 VAL 89 3HG1 VAL 89 -1.278 -9.821 -3.112 674 HG21 VAL 89 3HG2 VAL 89 -1.867 -6.248 -1.339 675 HG22 VAL 89 1HG2 VAL 89 -3.249 -6.383 -2.426 676 HG23 VAL 89 2HG2 VAL 89 -1.609 -6.459 -3.070 677 H LEU 90 H LEU 90 -4.755 -6.976 -3.807 678 HA LEU 90 HA LEU 90 -3.743 -7.745 -6.457 679 HB2 LEU 90 2HB LEU 90 -6.120 -6.871 -7.205 680 HB3 LEU 90 1HB LEU 90 -5.847 -8.545 -6.762 681 HG LEU 90 HG LEU 90 -6.740 -6.637 -4.648 682 HD11 LEU 90 1HD1 LEU 90 -8.135 -6.594 -6.925 683 HD12 LEU 90 2HD1 LEU 90 -8.888 -6.480 -5.335 684 HD13 LEU 90 3HD1 LEU 90 -8.848 -8.026 -6.183 685 HD21 LEU 90 3HD2 LEU 90 -6.122 -9.248 -4.587 686 HD22 LEU 90 1HD2 LEU 90 -7.840 -9.357 -4.970 687 HD23 LEU 90 2HD2 LEU 90 -7.313 -8.508 -3.518 688 H ASP 91 H ASP 91 -3.757 -5.371 -4.208 689 HA ASP 91 HA ASP 91 -2.758 -3.407 -5.922 690 HB2 ASP 91 2HB ASP 91 -5.491 -3.537 -6.187 691 HB3 ASP 91 1HB ASP 91 -5.292 -2.259 -4.993 692 H SER 92 H SER 92 -1.389 -2.403 -4.634 693 HA SER 92 HA SER 92 -2.317 -1.345 -2.076 694 HB2 SER 92 2HB SER 92 -0.749 -2.309 -0.732 695 HB3 SER 92 1HB SER 92 -1.078 -3.646 -1.841 696 HG SER 92 HG SER 92 0.774 -2.952 -3.046 697 H GLN 93 H GLN 93 -1.538 0.590 -1.640 698 HA GLN 93 HA GLN 93 0.268 1.823 -3.555 699 HB2 GLN 93 2HB GLN 93 -1.717 2.797 -1.568 700 HB3 GLN 93 1HB GLN 93 -0.335 3.838 -1.878 701 HG2 GLN 93 2HG GLN 93 -1.050 3.282 -4.396 702 HG3 GLN 93 1HG GLN 93 -2.619 3.130 -3.602 703 HE21 GLN 93 1HE2 GLN 93 -0.563 5.223 -5.102 704 HE22 GLN 93 2HE2 GLN 93 -1.181 6.718 -4.495 705 H VAL 94 H VAL 94 2.007 3.306 -2.564 706 HA VAL 94 HA VAL 94 3.479 1.676 -0.676 707 HB VAL 94 HB VAL 94 4.328 4.305 -1.896 708 HG11 VAL 94 1HG1 VAL 94 6.614 3.301 -1.494 709 HG12 VAL 94 2HG1 VAL 94 5.803 2.081 -0.510 710 HG13 VAL 94 3HG1 VAL 94 5.714 3.782 -0.056 711 HG21 VAL 94 3HG2 VAL 94 4.043 3.077 -3.810 712 HG22 VAL 94 1HG2 VAL 94 4.330 1.538 -2.996 713 HG23 VAL 94 2HG2 VAL 94 5.685 2.601 -3.375 714 H THR 95 H THR 95 2.931 1.875 1.378 715 HA THR 95 HA THR 95 2.417 4.567 2.438 716 HB THR 95 HB THR 95 1.038 3.557 4.118 717 HG1 THR 95 1HG THR 95 2.137 1.723 4.644 718 HG21 THR 95 3HG2 THR 95 -0.634 3.410 2.681 719 HG22 THR 95 1HG2 THR 95 -0.166 1.742 2.330 720 HG23 THR 95 2HG2 THR 95 0.480 3.071 1.359 721 H LYS 96 H LYS 96 4.621 4.932 2.621 722 HA LYS 96 HA LYS 96 6.224 5.412 4.277 723 HB2 LYS 96 2HB LYS 96 4.949 3.805 5.863 724 HB3 LYS 96 1HB LYS 96 6.055 2.578 5.262 725 HG2 LYS 96 2HG LYS 96 6.811 3.558 7.373 726 HG3 LYS 96 1HG LYS 96 7.953 3.846 6.058 727 HD2 LYS 96 2HD LYS 96 7.599 6.084 6.065 728 HD3 LYS 96 1HD LYS 96 5.890 5.920 6.474 729 HE2 LYS 96 2HE LYS 96 8.054 5.320 8.466 730 HE3 LYS 96 1HE LYS 96 7.453 6.960 8.221 731 HZ1 LYS 96 3HZ LYS 96 5.633 4.703 8.809 732 HZ2 LYS 96 1HZ LYS 96 5.330 6.362 8.952 733 HZ3 LYS 96 2HZ LYS 96 6.372 5.595 10.041 734 H GLU 97 H GLU 97 6.410 4.703 1.631 735 HA GLU 97 HA GLU 97 7.776 2.720 0.585 736 HB2 GLU 97 2HB GLU 97 7.328 4.981 -0.459 737 HB3 GLU 97 1HB GLU 97 8.846 5.516 0.248 738 HG2 GLU 97 2HG GLU 97 9.043 3.033 -1.285 739 HG3 GLU 97 1HG GLU 97 8.562 4.442 -2.230 740 H VAL 98 H VAL 98 9.587 1.586 0.813 741 HA VAL 98 HA VAL 98 11.307 2.068 3.033 742 HB VAL 98 HB VAL 98 10.863 -0.210 2.395 743 HG11 VAL 98 1HG1 VAL 98 12.234 -0.824 0.133 744 HG12 VAL 98 2HG1 VAL 98 11.576 0.762 -0.276 745 HG13 VAL 98 3HG1 VAL 98 10.494 -0.543 0.209 746 HG21 VAL 98 3HG2 VAL 98 13.149 -1.085 2.206 747 HG22 VAL 98 1HG2 VAL 98 13.024 0.194 3.408 748 HG23 VAL 98 2HG2 VAL 98 13.727 0.534 1.826 749 H ILE 99 H ILE 99 13.081 3.217 3.146 750 HA ILE 99 HA ILE 99 14.140 4.469 0.746 751 HB ILE 99 HB ILE 99 15.086 4.853 3.585 752 HG12 ILE 99 2HG1 ILE 99 12.698 5.346 3.473 753 HG13 ILE 99 1HG1 ILE 99 13.617 6.839 3.633 754 HG21 ILE 99 1HG2 ILE 99 16.553 5.600 1.694 755 HG22 ILE 99 2HG2 ILE 99 16.060 6.878 2.803 756 HG23 ILE 99 3HG2 ILE 99 15.272 6.722 1.233 757 HD11 ILE 99 3HD1 ILE 99 12.091 5.793 1.301 758 HD12 ILE 99 1HD1 ILE 99 13.445 6.890 1.036 759 HD13 ILE 99 2HD1 ILE 99 12.080 7.399 2.030 760 H ASN 100 H ASN 100 15.958 3.888 -0.265 761 HA ASN 100 HA ASN 100 17.476 1.641 0.803 762 HB2 ASN 100 2HB ASN 100 17.439 2.990 -1.899 763 HB3 ASN 100 1HB ASN 100 18.576 1.711 -1.482 764 HD21 ASN 100 1HD2 ASN 100 17.276 0.976 -3.498 765 HD22 ASN 100 2HD2 ASN 100 15.931 -0.054 -3.158 766 H GLN 101 H GLN 101 19.703 1.668 1.142 767 HA GLN 101 HA GLN 101 20.778 4.013 2.228 768 HB2 GLN 101 2HB GLN 101 21.448 1.465 2.477 769 HB3 GLN 101 1HB GLN 101 22.602 1.879 1.216 770 HG2 GLN 101 2HG GLN 101 22.777 3.914 3.141 771 HG3 GLN 101 1HG GLN 101 22.724 2.390 4.026 772 HE21 GLN 101 1HE2 GLN 101 24.849 2.506 4.679 773 HE22 GLN 101 2HE2 GLN 101 26.176 2.302 3.593 774 H VAL 102 H VAL 102 22.136 5.568 1.464 775 HA VAL 102 HA VAL 102 22.895 5.420 -1.378 776 HB VAL 102 HB VAL 102 22.015 7.944 0.025 777 HG11 VAL 102 1HG1 VAL 102 23.432 8.568 -1.718 778 HG12 VAL 102 2HG1 VAL 102 21.825 8.672 -2.435 779 HG13 VAL 102 3HG1 VAL 102 22.854 7.280 -2.776 780 HG21 VAL 102 3HG2 VAL 102 20.444 6.418 -2.036 781 HG22 VAL 102 1HG2 VAL 102 19.917 7.786 -1.055 782 HG23 VAL 102 2HG2 VAL 102 20.198 6.216 -0.301 783 H VAL 103 H VAL 103 25.034 4.998 -1.147 784 HA VAL 103 HA VAL 103 26.630 7.043 0.235 785 HB VAL 103 HB VAL 103 27.303 4.100 0.288 786 HG11 VAL 103 1HG1 VAL 103 28.970 6.216 0.575 787 HG12 VAL 103 2HG1 VAL 103 29.214 4.646 1.340 788 HG13 VAL 103 3HG1 VAL 103 28.463 5.959 2.245 789 HG21 VAL 103 3HG2 VAL 103 26.501 3.958 2.495 790 HG22 VAL 103 1HG2 VAL 103 25.225 4.776 1.593 791 HG23 VAL 103 2HG2 VAL 103 26.310 5.707 2.625 792 H GLU 104 H GLU 104 28.414 7.726 -0.833 793 HA GLU 104 HA GLU 104 28.889 6.548 -3.481 794 HB2 GLU 104 2HB GLU 104 29.872 9.234 -2.530 795 HB3 GLU 104 1HB GLU 104 29.730 8.655 -4.184 796 HG2 GLU 104 2HG GLU 104 27.202 8.516 -3.666 797 HG3 GLU 104 1HG GLU 104 27.590 9.585 -2.320 798 H VAL 105 H VAL 105 30.788 5.629 -3.980 799 HA VAL 105 HA VAL 105 32.869 5.614 -1.906 800 HB VAL 105 HB VAL 105 32.616 3.733 -4.253 801 HG11 VAL 105 1HG1 VAL 105 34.787 3.509 -3.549 802 HG12 VAL 105 2HG1 VAL 105 33.987 2.329 -2.511 803 HG13 VAL 105 3HG1 VAL 105 34.403 3.922 -1.877 804 HG21 VAL 105 3HG2 VAL 105 31.328 3.712 -1.579 805 HG22 VAL 105 1HG2 VAL 105 31.916 2.179 -2.222 806 HG23 VAL 105 2HG2 VAL 105 30.730 3.119 -3.128 807 H GLY 106 H GLY 106 34.625 6.803 -2.225 808 HA2 GLY 106 2HA GLY 106 35.128 8.165 -4.669 809 HA3 GLY 106 1HA GLY 106 36.191 8.124 -3.272 810 H ALA 107 H ALA 107 36.007 7.377 -6.450 811 HA ALA 107 HA ALA 107 38.076 5.292 -6.188 812 HB1 ALA 107 1HB ALA 107 36.010 4.287 -7.002 813 HB2 ALA 107 2HB ALA 107 37.253 4.268 -8.252 814 HB3 ALA 107 3HB ALA 107 35.950 5.456 -8.323 815 HA PRO 108 HA PRO 108 40.654 7.886 -8.653 816 HB2 PRO 108 2HB PRO 108 42.155 6.060 -9.982 817 HB3 PRO 108 1HB PRO 108 42.353 6.390 -8.258 818 HG2 PRO 108 2HG PRO 108 40.875 4.160 -9.600 819 HG3 PRO 108 1HG PRO 108 41.949 4.099 -8.191 820 HD2 PRO 108 2HD PRO 108 39.251 4.095 -7.968 821 HD3 PRO 108 1HD PRO 108 40.308 4.839 -6.751 822 H VAL 109 H VAL 109 41.675 7.650 -11.108 823 HA VAL 109 HA VAL 109 39.548 8.314 -12.813 824 HB VAL 109 HB VAL 109 41.839 9.126 -13.168 825 HG11 VAL 109 1HG1 VAL 109 42.767 6.735 -12.644 826 HG12 VAL 109 2HG1 VAL 109 43.635 7.812 -13.738 827 HG13 VAL 109 3HG1 VAL 109 42.624 6.521 -14.387 828 HG21 VAL 109 3HG2 VAL 109 40.542 7.607 -15.416 829 HG22 VAL 109 1HG2 VAL 109 41.943 8.649 -15.660 830 HG23 VAL 109 2HG2 VAL 109 40.434 9.329 -15.051 831 H THR 110 H THR 110 38.274 7.148 -14.115 832 HA THR 110 HA THR 110 39.052 4.426 -14.846 833 HB THR 110 HB THR 110 37.726 4.092 -12.858 834 HG1 THR 110 1HG THR 110 36.770 2.531 -13.847 835 HG21 THR 110 3HG2 THR 110 36.015 5.339 -12.232 836 HG22 THR 110 1HG2 THR 110 35.170 5.038 -13.752 837 HG23 THR 110 2HG2 THR 110 36.322 6.368 -13.633 838 H HIS 111 H HIS 111 38.319 3.767 -16.820 839 HA HIS 111 HA HIS 111 36.145 4.939 -18.200 840 HB2 HIS 111 2HB HIS 111 37.576 5.983 -20.038 841 HB3 HIS 111 1HB HIS 111 37.454 6.880 -18.529 842 HD1 HIS 111 1HD HIS 111 39.729 4.039 -18.268 843 HD2 HIS 111 2HD HIS 111 39.976 8.015 -19.448 844 HE1 HIS 111 1HE HIS 111 42.182 4.591 -18.257 845 HE2 HIS 111 2HE HIS 111 42.314 6.976 -19.058 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -17.940 28.118 -22.149 2 H2 MET 1 2HT MET 1 -16.601 27.064 -22.353 3 H3 MET 1 3HT MET 1 -17.319 27.816 -23.717 4 HA MET 1 HA MET 1 -16.705 29.973 -22.759 5 HB2 MET 1 2HB MET 1 -16.478 29.161 -20.450 6 HB3 MET 1 1HB MET 1 -15.109 28.167 -20.929 7 HG2 MET 1 2HG MET 1 -14.186 30.513 -21.753 8 HG3 MET 1 1HG MET 1 -15.277 31.089 -20.493 9 HE1 MET 1 2HE MET 1 -15.207 28.471 -18.737 10 HE2 MET 1 3HE MET 1 -15.023 29.952 -17.795 11 HE3 MET 1 1HE MET 1 -13.879 28.625 -17.587 12 H GLY 2 H GLY 2 -14.268 27.374 -22.562 13 HA2 GLY 2 2HA GLY 2 -13.324 27.785 -25.220 14 HA3 GLY 2 1HA GLY 2 -12.299 28.609 -24.054 15 H SER 3 H SER 3 -13.721 25.437 -24.778 16 HA SER 3 HA SER 3 -11.223 24.212 -23.830 17 HB2 SER 3 2HB SER 3 -12.769 22.258 -23.081 18 HB3 SER 3 1HB SER 3 -12.640 23.681 -22.045 19 HG SER 3 HG SER 3 -14.804 22.677 -23.337 20 H SER 4 H SER 4 -10.289 23.216 -25.478 21 HA SER 4 HA SER 4 -11.521 21.202 -26.994 22 HB2 SER 4 2HB SER 4 -12.659 23.180 -28.030 23 HB3 SER 4 1HB SER 4 -11.078 23.755 -28.558 24 HG SER 4 HG SER 4 -11.709 22.601 -30.255 25 H HIS 5 H HIS 5 -9.013 23.688 -26.942 26 HA HIS 5 HA HIS 5 -7.093 21.660 -27.888 27 HB2 HIS 5 2HB HIS 5 -6.833 24.641 -28.303 28 HB3 HIS 5 1HB HIS 5 -5.831 23.372 -29.000 29 HD1 HIS 5 1HD HIS 5 -9.172 25.025 -29.353 30 HD2 HIS 5 2HD HIS 5 -6.897 22.112 -31.253 31 HE1 HIS 5 1HE HIS 5 -10.333 24.585 -31.540 32 HE2 HIS 5 2HE HIS 5 -8.890 22.883 -32.710 33 H HIS 6 H HIS 6 -6.261 20.972 -25.980 34 HA HIS 6 HA HIS 6 -5.229 23.005 -24.122 35 HB2 HIS 6 2HB HIS 6 -6.320 20.263 -23.764 36 HB3 HIS 6 1HB HIS 6 -5.018 20.753 -22.685 37 HD1 HIS 6 1HD HIS 6 -5.554 23.269 -21.548 38 HD2 HIS 6 2HD HIS 6 -8.746 20.912 -22.783 39 HE1 HIS 6 1HE HIS 6 -7.558 24.153 -20.314 40 HE2 HIS 6 2HE HIS 6 -9.461 22.655 -21.011 41 H HIS 7 H HIS 7 -4.302 19.628 -24.732 42 HA HIS 7 HA HIS 7 -1.715 20.396 -25.750 43 HB2 HIS 7 2HB HIS 7 -1.924 19.007 -23.071 44 HB3 HIS 7 1HB HIS 7 -0.433 19.257 -23.973 45 HD1 HIS 7 1HD HIS 7 -0.081 22.003 -24.541 46 HD2 HIS 7 2HD HIS 7 -2.280 20.902 -21.192 47 HE1 HIS 7 1HE HIS 7 -0.077 24.021 -23.041 48 HE2 HIS 7 2HE HIS 7 -1.341 23.303 -20.983 49 H HIS 8 H HIS 8 -4.022 18.799 -26.582 50 HA HIS 8 HA HIS 8 -4.478 16.847 -27.656 51 HB2 HIS 8 2HB HIS 8 -1.499 17.004 -27.765 52 HB3 HIS 8 1HB HIS 8 -2.276 15.507 -28.271 53 HD1 HIS 8 1HD HIS 8 -4.447 18.252 -29.099 54 HD2 HIS 8 2HD HIS 8 -1.099 16.499 -30.824 55 HE1 HIS 8 1HE HIS 8 -4.460 18.999 -31.500 56 HE2 HIS 8 2HE HIS 8 -2.472 17.855 -32.544 57 H HIS 9 H HIS 9 -4.389 16.882 -24.747 58 HA HIS 9 HA HIS 9 -3.208 14.487 -23.779 59 HB2 HIS 9 2HB HIS 9 -4.210 16.675 -22.569 60 HB3 HIS 9 1HB HIS 9 -5.576 15.583 -22.371 61 HD1 HIS 9 1HD HIS 9 -1.950 14.540 -22.184 62 HD2 HIS 9 2HD HIS 9 -5.244 15.035 -19.699 63 HE1 HIS 9 1HE HIS 9 -1.268 13.580 -19.962 64 HE2 HIS 9 2HE HIS 9 -3.246 13.970 -18.451 65 H SER 10 H SER 10 -3.899 12.909 -25.311 66 HA SER 10 HA SER 10 -5.189 11.179 -26.030 67 HB2 SER 10 2HB SER 10 -5.429 11.055 -23.420 68 HB3 SER 10 1HB SER 10 -7.081 11.587 -23.739 69 HG SER 10 HG SER 10 -6.401 9.179 -23.750 70 H SER 11 H SER 11 -7.427 10.576 -26.769 71 HA SER 11 HA SER 11 -8.997 12.983 -27.419 72 HB2 SER 11 2HB SER 11 -8.488 10.627 -29.252 73 HB3 SER 11 1HB SER 11 -9.438 12.062 -29.637 74 HG SER 11 HG SER 11 -6.905 11.747 -30.060 75 H GLY 12 H GLY 12 -10.398 12.495 -25.664 76 HA2 GLY 12 2HA GLY 12 -11.969 10.023 -25.952 77 HA3 GLY 12 1HA GLY 12 -11.865 10.998 -24.494 78 H LEU 13 H LEU 13 -12.854 11.370 -27.901 79 HA LEU 13 HA LEU 13 -14.834 13.344 -27.170 80 HB2 LEU 13 2HB LEU 13 -13.815 12.175 -29.714 81 HB3 LEU 13 1HB LEU 13 -15.400 12.925 -29.725 82 HG LEU 13 HG LEU 13 -13.577 14.445 -30.446 83 HD11 LEU 13 1HD1 LEU 13 -14.166 16.222 -28.578 84 HD12 LEU 13 2HD1 LEU 13 -15.370 15.006 -28.148 85 HD13 LEU 13 3HD1 LEU 13 -15.354 15.696 -29.771 86 HD21 LEU 13 3HD2 LEU 13 -12.147 15.377 -28.577 87 HD22 LEU 13 1HD2 LEU 13 -11.736 13.755 -29.134 88 HD23 LEU 13 2HD2 LEU 13 -12.631 13.971 -27.630 89 H VAL 14 H VAL 14 -16.118 12.019 -25.758 90 HA VAL 14 HA VAL 14 -17.373 9.635 -26.499 91 HB VAL 14 HB VAL 14 -17.304 10.436 -24.182 92 HG11 VAL 14 1HG1 VAL 14 -17.736 12.836 -24.769 93 HG12 VAL 14 2HG1 VAL 14 -18.645 12.231 -23.384 94 HG13 VAL 14 3HG1 VAL 14 -19.441 12.414 -24.949 95 HG21 VAL 14 3HG2 VAL 14 -18.915 8.761 -24.572 96 HG22 VAL 14 1HG2 VAL 14 -20.012 9.889 -25.369 97 HG23 VAL 14 2HG2 VAL 14 -19.744 9.999 -23.628 98 HA PRO 15 HA PRO 15 -20.330 11.068 -29.494 99 HB2 PRO 15 2HB PRO 15 -21.971 8.911 -29.522 100 HB3 PRO 15 1HB PRO 15 -20.372 8.905 -30.276 101 HG2 PRO 15 2HG PRO 15 -21.215 7.827 -27.612 102 HG3 PRO 15 1HG PRO 15 -20.150 7.098 -28.827 103 HD2 PRO 15 2HD PRO 15 -19.202 8.363 -26.627 104 HD3 PRO 15 1HD PRO 15 -18.334 8.357 -28.175 105 H ARG 16 H ARG 16 -22.359 11.992 -29.569 106 HA ARG 16 HA ARG 16 -23.547 12.694 -27.080 107 HB2 ARG 16 2HB ARG 16 -25.245 13.842 -28.498 108 HB3 ARG 16 1HB ARG 16 -23.587 14.285 -28.882 109 HG2 ARG 16 2HG ARG 16 -24.680 12.046 -30.441 110 HG3 ARG 16 1HG ARG 16 -25.446 13.611 -30.714 111 HD2 ARG 16 2HD ARG 16 -22.826 14.305 -30.742 112 HD3 ARG 16 1HD ARG 16 -22.746 12.675 -31.408 113 HE ARG 16 HE ARG 16 -23.585 13.525 -33.341 114 HH11 ARG 16 1HH1 ARG 16 -24.620 15.589 -30.724 115 HH12 ARG 16 2HH1 ARG 16 -25.425 16.715 -31.764 116 HH21 ARG 16 1HH2 ARG 16 -24.644 15.005 -34.711 117 HH22 ARG 16 2HH2 ARG 16 -25.440 16.383 -34.028 118 H GLY 17 H GLY 17 -24.237 10.306 -29.538 119 HA2 GLY 17 2HA GLY 17 -26.503 9.371 -27.886 120 HA3 GLY 17 1HA GLY 17 -26.554 9.344 -29.643 121 H SER 18 H SER 18 -26.682 7.204 -30.052 122 HA SER 18 HA SER 18 -24.665 5.448 -28.829 123 HB2 SER 18 2HB SER 18 -27.398 4.916 -29.976 124 HB3 SER 18 1HB SER 18 -26.229 3.615 -29.760 125 HG SER 18 HG SER 18 -27.111 3.587 -27.831 126 H HIS 19 H HIS 19 -23.812 3.702 -30.230 127 HA HIS 19 HA HIS 19 -22.729 4.799 -32.619 128 HB2 HIS 19 2HB HIS 19 -22.651 1.926 -31.678 129 HB3 HIS 19 1HB HIS 19 -21.581 2.672 -32.862 130 HD1 HIS 19 1HD HIS 19 -19.776 1.687 -31.038 131 HD2 HIS 19 2HD HIS 19 -21.989 5.025 -29.933 132 HE1 HIS 19 1HE HIS 19 -18.519 2.720 -29.121 133 HE2 HIS 19 2HE HIS 19 -19.922 4.688 -28.412 134 H MET 20 H MET 20 -22.671 2.925 -34.519 135 HA MET 20 HA MET 20 -25.487 2.363 -35.171 136 HB2 MET 20 2HB MET 20 -23.416 3.804 -36.766 137 HB3 MET 20 1HB MET 20 -24.576 2.796 -37.623 138 HG2 MET 20 2HG MET 20 -26.404 4.077 -36.840 139 HG3 MET 20 1HG MET 20 -25.391 4.935 -35.680 140 HE1 MET 20 3HE MET 20 -24.861 5.395 -40.224 141 HE2 MET 20 1HE MET 20 -25.465 3.964 -39.389 142 HE3 MET 20 2HE MET 20 -23.758 4.394 -39.278 143 H SER 21 H SER 21 -22.260 1.749 -36.568 144 HA SER 21 HA SER 21 -23.049 -0.922 -37.327 145 HB2 SER 21 2HB SER 21 -20.678 0.824 -37.792 146 HB3 SER 21 1HB SER 21 -20.451 -0.919 -37.927 147 HG SER 21 HG SER 21 -21.174 0.405 -39.861 148 H LEU 22 H LEU 22 -20.524 0.465 -35.228 149 HA LEU 22 HA LEU 22 -19.605 -1.963 -34.179 150 HB2 LEU 22 2HB LEU 22 -19.470 0.887 -33.322 151 HB3 LEU 22 1HB LEU 22 -19.013 -0.347 -32.165 152 HG LEU 22 HG LEU 22 -17.090 0.606 -33.407 153 HD11 LEU 22 1HD1 LEU 22 -17.641 -2.318 -33.889 154 HD12 LEU 22 2HD1 LEU 22 -16.923 -1.611 -32.441 155 HD13 LEU 22 3HD1 LEU 22 -16.058 -1.546 -33.976 156 HD21 LEU 22 3HD2 LEU 22 -16.807 -0.195 -35.777 157 HD22 LEU 22 1HD2 LEU 22 -18.019 1.064 -35.540 158 HD23 LEU 22 2HD2 LEU 22 -18.521 -0.613 -35.757 159 H ASP 23 H ASP 23 -21.496 0.438 -32.346 160 HA ASP 23 HA ASP 23 -23.085 0.216 -30.736 161 HB2 ASP 23 2HB ASP 23 -24.079 -1.170 -32.735 162 HB3 ASP 23 1HB ASP 23 -23.747 -2.546 -31.686 163 H GLU 24 H GLU 24 -23.518 -0.781 -28.698 164 HA GLU 24 HA GLU 24 -22.324 -3.158 -27.803 165 HB2 GLU 24 2HB GLU 24 -20.322 -1.509 -28.193 166 HB3 GLU 24 1HB GLU 24 -20.851 -0.810 -26.669 167 HG2 GLU 24 2HG GLU 24 -19.490 -2.307 -25.738 168 HG3 GLU 24 1HG GLU 24 -20.785 -3.460 -26.060 169 H ASN 25 H ASN 25 -24.438 -3.266 -26.937 170 HA ASN 25 HA ASN 25 -24.984 -1.446 -24.695 171 HB2 ASN 25 2HB ASN 25 -26.634 -2.026 -26.724 172 HB3 ASN 25 1HB ASN 25 -27.060 -3.351 -25.643 173 HD21 ASN 25 1HD2 ASN 25 -28.889 -2.854 -24.683 174 HD22 ASN 25 2HD2 ASN 25 -29.273 -1.338 -23.947 175 H GLU 26 H GLU 26 -23.460 -2.599 -23.345 176 HA GLU 26 HA GLU 26 -24.390 -5.249 -22.477 177 HB2 GLU 26 2HB GLU 26 -22.141 -5.454 -21.423 178 HB3 GLU 26 1HB GLU 26 -22.085 -5.272 -23.171 179 HG2 GLU 26 2HG GLU 26 -21.348 -3.042 -23.018 180 HG3 GLU 26 1HG GLU 26 -21.744 -2.950 -21.302 181 H VAL 27 H VAL 27 -23.976 -5.673 -20.080 182 HA VAL 27 HA VAL 27 -25.538 -3.863 -18.570 183 HB VAL 27 HB VAL 27 -25.467 -6.267 -18.071 184 HG11 VAL 27 1HG1 VAL 27 -22.794 -6.112 -18.375 185 HG12 VAL 27 2HG1 VAL 27 -23.613 -7.430 -17.535 186 HG13 VAL 27 3HG1 VAL 27 -22.913 -6.098 -16.614 187 HG21 VAL 27 3HG2 VAL 27 -25.609 -6.085 -15.732 188 HG22 VAL 27 1HG2 VAL 27 -26.020 -4.482 -16.341 189 HG23 VAL 27 2HG2 VAL 27 -24.415 -4.788 -15.677 190 H ALA 28 H ALA 28 -24.911 -1.966 -17.795 191 HA ALA 28 HA ALA 28 -22.123 -1.304 -17.503 192 HB1 ALA 28 1HB ALA 28 -24.400 0.426 -16.601 193 HB2 ALA 28 2HB ALA 28 -24.005 0.241 -18.309 194 HB3 ALA 28 3HB ALA 28 -22.810 0.905 -17.194 195 H ALA 29 H ALA 29 -21.044 -2.047 -15.792 196 HA ALA 29 HA ALA 29 -22.274 -1.721 -13.137 197 HB1 ALA 29 1HB ALA 29 -21.988 -4.154 -14.207 198 HB2 ALA 29 2HB ALA 29 -21.823 -3.842 -12.479 199 HB3 ALA 29 3HB ALA 29 -20.386 -3.971 -13.493 200 H ASN 30 H ASN 30 -21.130 0.203 -12.813 201 HA ASN 30 HA ASN 30 -18.271 -0.190 -12.264 202 HB2 ASN 30 2HB ASN 30 -19.535 1.846 -14.025 203 HB3 ASN 30 1HB ASN 30 -18.214 2.388 -12.993 204 HD21 ASN 30 1HD2 ASN 30 -16.484 0.377 -12.963 205 HD22 ASN 30 2HD2 ASN 30 -15.912 0.013 -14.551 206 H VAL 31 H VAL 31 -20.602 -0.219 -10.525 207 HA VAL 31 HA VAL 31 -20.592 2.284 -9.086 208 HB VAL 31 HB VAL 31 -22.035 1.024 -7.446 209 HG11 VAL 31 1HG1 VAL 31 -23.863 1.561 -8.651 210 HG12 VAL 31 2HG1 VAL 31 -23.350 0.620 -10.051 211 HG13 VAL 31 3HG1 VAL 31 -22.677 2.227 -9.773 212 HG21 VAL 31 3HG2 VAL 31 -22.636 -1.165 -7.746 213 HG22 VAL 31 1HG2 VAL 31 -20.984 -1.214 -8.363 214 HG23 VAL 31 2HG2 VAL 31 -22.341 -1.123 -9.484 215 H GLU 32 H GLU 32 -19.076 -0.851 -8.830 216 HA GLU 32 HA GLU 32 -17.290 0.172 -6.792 217 HB2 GLU 32 2HB GLU 32 -17.667 -1.656 -5.226 218 HB3 GLU 32 1HB GLU 32 -19.151 -0.746 -5.471 219 HG2 GLU 32 2HG GLU 32 -18.876 -2.996 -7.296 220 HG3 GLU 32 1HG GLU 32 -18.888 -3.469 -5.598 221 H THR 33 H THR 33 -15.700 -1.709 -6.164 222 HA THR 33 HA THR 33 -14.995 -3.115 -8.658 223 HB THR 33 HB THR 33 -13.409 -1.333 -8.148 224 HG1 THR 33 1HG THR 33 -12.253 -3.839 -7.516 225 HG21 THR 33 3HG2 THR 33 -12.097 -1.222 -6.196 226 HG22 THR 33 1HG2 THR 33 -12.718 -2.760 -5.602 227 HG23 THR 33 2HG2 THR 33 -13.774 -1.349 -5.663 228 H ARG 34 H ARG 34 -15.007 -3.272 -5.131 229 HA ARG 34 HA ARG 34 -15.217 -6.171 -5.291 230 HB2 ARG 34 2HB ARG 34 -12.952 -4.700 -3.993 231 HB3 ARG 34 1HB ARG 34 -13.494 -6.231 -3.321 232 HG2 ARG 34 2HG ARG 34 -12.796 -5.974 -6.222 233 HG3 ARG 34 1HG ARG 34 -11.556 -6.250 -4.997 234 HD2 ARG 34 2HD ARG 34 -12.117 -8.394 -5.740 235 HD3 ARG 34 1HD ARG 34 -13.009 -8.211 -4.232 236 HE ARG 34 HE ARG 34 -14.935 -8.450 -5.420 237 HH11 ARG 34 1HH1 ARG 34 -12.423 -7.423 -7.616 238 HH12 ARG 34 2HH1 ARG 34 -13.428 -7.547 -9.021 239 HH21 ARG 34 1HH2 ARG 34 -16.256 -8.614 -7.267 240 HH22 ARG 34 2HH2 ARG 34 -15.605 -8.224 -8.824 241 HA PRO 35 HA PRO 35 -18.046 -5.785 -1.948 242 HB2 PRO 35 2HB PRO 35 -17.308 -7.844 -0.284 243 HB3 PRO 35 1HB PRO 35 -18.256 -8.052 -1.760 244 HG2 PRO 35 2HG PRO 35 -15.326 -8.450 -1.317 245 HG3 PRO 35 1HG PRO 35 -16.464 -9.439 -2.251 246 HD2 PRO 35 2HD PRO 35 -14.778 -7.726 -3.446 247 HD3 PRO 35 1HD PRO 35 -16.419 -8.002 -4.067 248 H GLU 36 H GLU 36 -14.721 -6.403 -0.830 249 HA GLU 36 HA GLU 36 -14.740 -4.071 0.821 250 HB2 GLU 36 2HB GLU 36 -14.318 -5.325 2.962 251 HB3 GLU 36 1HB GLU 36 -15.970 -5.411 2.363 252 HG2 GLU 36 2HG GLU 36 -15.175 -7.619 1.254 253 HG3 GLU 36 1HG GLU 36 -13.874 -7.530 2.441 254 H LEU 37 H LEU 37 -12.739 -3.298 0.762 255 HA LEU 37 HA LEU 37 -10.556 -5.102 0.046 256 HB2 LEU 37 2HB LEU 37 -10.698 -2.087 0.119 257 HB3 LEU 37 1HB LEU 37 -9.275 -3.001 -0.345 258 HG LEU 37 HG LEU 37 -11.918 -2.930 -1.799 259 HD11 LEU 37 1HD1 LEU 37 -10.316 -2.087 -3.629 260 HD12 LEU 37 2HD1 LEU 37 -9.213 -1.747 -2.295 261 HD13 LEU 37 3HD1 LEU 37 -10.796 -0.973 -2.349 262 HD21 LEU 37 3HD2 LEU 37 -10.811 -4.354 -3.470 263 HD22 LEU 37 1HD2 LEU 37 -10.985 -5.166 -1.914 264 HD23 LEU 37 2HD2 LEU 37 -9.421 -4.511 -2.396 265 H ILE 38 H ILE 38 -9.139 -5.795 1.482 266 HA ILE 38 HA ILE 38 -9.043 -4.502 4.117 267 HB ILE 38 HB ILE 38 -7.686 -6.632 4.699 268 HG12 ILE 38 2HG1 ILE 38 -9.177 -7.633 2.265 269 HG13 ILE 38 1HG1 ILE 38 -7.438 -7.359 2.325 270 HG21 ILE 38 1HG2 ILE 38 -10.019 -6.021 5.417 271 HG22 ILE 38 2HG2 ILE 38 -9.659 -7.746 5.383 272 HG23 ILE 38 3HG2 ILE 38 -10.604 -7.017 4.085 273 HD11 ILE 38 3HD1 ILE 38 -8.256 -9.737 2.640 274 HD12 ILE 38 1HD1 ILE 38 -8.822 -9.216 4.227 275 HD13 ILE 38 2HD1 ILE 38 -7.106 -9.124 3.828 276 H THR 39 H THR 39 -6.627 -5.035 5.090 277 HA THR 39 HA THR 39 -4.550 -4.496 3.142 278 HB THR 39 HB THR 39 -3.972 -2.398 4.717 279 HG1 THR 39 1HG THR 39 -6.801 -2.417 4.584 280 HG21 THR 39 3HG2 THR 39 -5.189 -2.701 2.124 281 HG22 THR 39 1HG2 THR 39 -4.021 -1.508 2.688 282 HG23 THR 39 2HG2 THR 39 -5.746 -1.236 2.930 283 H ARG 40 H ARG 40 -2.474 -4.540 3.973 284 HA ARG 40 HA ARG 40 -1.791 -4.961 6.685 285 HB2 ARG 40 2HB ARG 40 -2.866 -7.149 6.309 286 HB3 ARG 40 1HB ARG 40 -1.836 -7.419 4.909 287 HG2 ARG 40 2HG ARG 40 0.127 -7.476 6.321 288 HG3 ARG 40 1HG ARG 40 -0.857 -7.108 7.739 289 HD2 ARG 40 2HD ARG 40 -0.289 -9.514 7.521 290 HD3 ARG 40 1HD ARG 40 -2.023 -9.196 7.543 291 HE ARG 40 HE ARG 40 -1.031 -9.293 4.884 292 HH11 ARG 40 1HH1 ARG 40 -1.917 -11.321 7.584 293 HH12 ARG 40 2HH1 ARG 40 -2.305 -12.686 6.591 294 HH21 ARG 40 1HH2 ARG 40 -1.541 -11.089 3.578 295 HH22 ARG 40 2HH2 ARG 40 -2.093 -12.553 4.318 296 H THR 41 H THR 41 0.215 -4.098 6.713 297 HA THR 41 HA THR 41 1.627 -3.802 4.217 298 HB THR 41 HB THR 41 1.586 -1.929 5.737 299 HG1 THR 41 1HG THR 41 3.744 -1.475 5.738 300 HG21 THR 41 3HG2 THR 41 2.915 -3.752 7.720 301 HG22 THR 41 1HG2 THR 41 1.355 -2.944 7.876 302 HG23 THR 41 2HG2 THR 41 2.842 -1.997 7.873 303 H GLU 42 H GLU 42 3.452 -4.583 3.570 304 HA GLU 42 HA GLU 42 4.448 -6.974 4.926 305 HB2 GLU 42 2HB GLU 42 5.358 -6.114 2.209 306 HB3 GLU 42 1HB GLU 42 5.168 -7.739 2.855 307 HG2 GLU 42 2HG GLU 42 2.854 -5.925 2.236 308 HG3 GLU 42 1HG GLU 42 3.534 -7.062 1.075 309 H GLU 43 H GLU 43 6.518 -7.163 5.606 310 HA GLU 43 HA GLU 43 7.976 -4.805 6.177 311 HB2 GLU 43 2HB GLU 43 7.973 -7.247 7.269 312 HB3 GLU 43 1HB GLU 43 9.368 -7.435 6.216 313 HG2 GLU 43 2HG GLU 43 9.330 -4.971 7.812 314 HG3 GLU 43 1HG GLU 43 9.466 -6.467 8.733 315 H ILE 44 H ILE 44 8.424 -3.736 4.277 316 HA ILE 44 HA ILE 44 10.007 -5.096 2.233 317 HB ILE 44 HB ILE 44 8.845 -2.306 2.218 318 HG12 ILE 44 2HG1 ILE 44 7.756 -4.433 0.464 319 HG13 ILE 44 1HG1 ILE 44 7.402 -4.601 2.179 320 HG21 ILE 44 1HG2 ILE 44 10.671 -2.380 0.711 321 HG22 ILE 44 2HG2 ILE 44 9.210 -2.540 -0.263 322 HG23 ILE 44 3HG2 ILE 44 10.191 -3.961 0.097 323 HD11 ILE 44 3HD1 ILE 44 5.640 -3.302 1.748 324 HD12 ILE 44 1HD1 ILE 44 6.319 -2.750 0.215 325 HD13 ILE 44 2HD1 ILE 44 6.807 -1.965 1.714 326 HA PRO 45 HA PRO 45 13.503 -3.046 4.268 327 HB2 PRO 45 2HB PRO 45 15.376 -4.819 3.614 328 HB3 PRO 45 1HB PRO 45 14.152 -5.202 4.832 329 HG2 PRO 45 2HG PRO 45 14.286 -6.026 1.958 330 HG3 PRO 45 1HG PRO 45 13.829 -6.985 3.377 331 HD2 PRO 45 2HD PRO 45 12.041 -5.788 1.639 332 HD3 PRO 45 1HD PRO 45 11.670 -6.255 3.308 333 H PHE 46 H PHE 46 15.445 -2.053 3.550 334 HA PHE 46 HA PHE 46 15.337 -1.176 0.789 335 HB2 PHE 46 2HB PHE 46 16.993 0.483 1.468 336 HB3 PHE 46 1HB PHE 46 15.659 0.457 2.619 337 HD1 PHE 46 2HD PHE 46 15.968 -0.460 4.856 338 HD2 PHE 46 1HD PHE 46 19.205 -0.210 2.105 339 HE1 PHE 46 2HE PHE 46 17.555 -0.810 6.701 340 HE2 PHE 46 1HE PHE 46 20.797 -0.567 3.946 341 HZ PHE 46 HZ PHE 46 19.974 -0.864 6.246 342 H GLU 47 H GLU 47 17.826 -0.638 0.057 343 HA GLU 47 HA GLU 47 19.554 -2.929 0.447 344 HB2 GLU 47 2HB GLU 47 17.991 -2.470 -2.043 345 HB3 GLU 47 1HB GLU 47 19.658 -3.003 -2.219 346 HG2 GLU 47 2HG GLU 47 18.734 -4.727 -0.332 347 HG3 GLU 47 1HG GLU 47 17.294 -4.467 -1.314 348 H VAL 48 H VAL 48 21.401 -1.921 0.896 349 HA VAL 48 HA VAL 48 22.077 0.673 -0.004 350 HB VAL 48 HB VAL 48 24.007 -1.405 1.026 351 HG11 VAL 48 1HG1 VAL 48 25.012 0.779 1.999 352 HG12 VAL 48 2HG1 VAL 48 24.056 1.570 0.746 353 HG13 VAL 48 3HG1 VAL 48 25.281 0.382 0.302 354 HG21 VAL 48 3HG2 VAL 48 22.723 -1.448 2.863 355 HG22 VAL 48 1HG2 VAL 48 21.816 -0.015 2.376 356 HG23 VAL 48 2HG2 VAL 48 23.379 0.160 3.177 357 H ILE 49 H ILE 49 23.627 1.353 -1.495 358 HA ILE 49 HA ILE 49 24.470 -0.670 -3.467 359 HB ILE 49 HB ILE 49 23.680 2.178 -4.089 360 HG12 ILE 49 2HG1 ILE 49 22.101 -0.068 -5.177 361 HG13 ILE 49 1HG1 ILE 49 21.940 0.191 -3.442 362 HG21 ILE 49 1HG2 ILE 49 24.738 -0.091 -5.709 363 HG22 ILE 49 2HG2 ILE 49 25.161 1.620 -5.757 364 HG23 ILE 49 3HG2 ILE 49 23.639 1.069 -6.455 365 HD11 ILE 49 3HD1 ILE 49 20.428 1.735 -3.909 366 HD12 ILE 49 1HD1 ILE 49 20.801 1.663 -5.631 367 HD13 ILE 49 2HD1 ILE 49 21.729 2.725 -4.571 368 H LYS 50 H LYS 50 26.419 -0.181 -4.639 369 HA LYS 50 HA LYS 50 28.194 1.703 -3.229 370 HB2 LYS 50 2HB LYS 50 28.612 -0.788 -2.826 371 HB3 LYS 50 1HB LYS 50 29.125 -0.864 -4.505 372 HG2 LYS 50 2HG LYS 50 30.942 0.610 -4.107 373 HG3 LYS 50 1HG LYS 50 30.343 1.009 -2.495 374 HD2 LYS 50 2HD LYS 50 30.639 -1.431 -1.916 375 HD3 LYS 50 1HD LYS 50 31.497 -1.604 -3.448 376 HE2 LYS 50 2HE LYS 50 33.293 -1.155 -2.149 377 HE3 LYS 50 1HE LYS 50 32.801 0.511 -2.451 378 HZ1 LYS 50 3HZ LYS 50 31.633 -0.881 -0.154 379 HZ2 LYS 50 1HZ LYS 50 32.007 0.758 -0.346 380 HZ3 LYS 50 2HZ LYS 50 33.236 -0.359 -0.033 381 H LYS 51 H LYS 51 28.237 3.380 -4.628 382 HA LYS 51 HA LYS 51 28.810 2.805 -7.455 383 HB2 LYS 51 2HB LYS 51 28.169 5.305 -7.691 384 HB3 LYS 51 1HB LYS 51 26.894 4.124 -7.434 385 HG2 LYS 51 2HG LYS 51 28.090 5.464 -5.063 386 HG3 LYS 51 1HG LYS 51 26.967 6.368 -6.081 387 HD2 LYS 51 2HD LYS 51 26.274 3.623 -5.095 388 HD3 LYS 51 1HD LYS 51 26.040 5.035 -4.065 389 HE2 LYS 51 2HE LYS 51 24.033 5.173 -5.050 390 HE3 LYS 51 1HE LYS 51 24.920 5.866 -6.407 391 HZ1 LYS 51 3HZ LYS 51 23.926 4.214 -7.531 392 HZ2 LYS 51 1HZ LYS 51 23.659 3.269 -6.151 393 HZ3 LYS 51 2HZ LYS 51 25.173 3.259 -6.905 394 H GLU 52 H GLU 52 30.259 4.360 -8.565 395 HA GLU 52 HA GLU 52 32.598 4.865 -6.890 396 HB2 GLU 52 2HB GLU 52 32.242 4.839 -9.891 397 HB3 GLU 52 1HB GLU 52 33.761 5.199 -9.079 398 HG2 GLU 52 2HG GLU 52 34.185 3.047 -8.640 399 HG3 GLU 52 1HG GLU 52 32.504 2.691 -8.241 400 H ASN 53 H ASN 53 32.817 6.814 -6.032 401 HA ASN 53 HA ASN 53 31.643 9.126 -7.401 402 HB2 ASN 53 2HB ASN 53 31.394 8.411 -4.817 403 HB3 ASN 53 1HB ASN 53 32.827 9.428 -4.699 404 HD21 ASN 53 1HD2 ASN 53 30.765 10.297 -3.347 405 HD22 ASN 53 2HD2 ASN 53 29.983 11.625 -4.127 406 HA PRO 54 HA PRO 54 36.023 9.753 -8.557 407 HB2 PRO 54 2HB PRO 54 35.460 11.532 -10.550 408 HB3 PRO 54 1HB PRO 54 35.431 9.778 -10.771 409 HG2 PRO 54 2HG PRO 54 33.159 11.666 -10.291 410 HG3 PRO 54 1HG PRO 54 33.261 10.298 -11.415 411 HD2 PRO 54 2HD PRO 54 31.975 10.121 -9.052 412 HD3 PRO 54 1HD PRO 54 32.844 8.742 -9.758 413 H ASN 55 H ASN 55 33.501 12.059 -7.797 414 HA ASN 55 HA ASN 55 35.139 14.359 -7.603 415 HB2 ASN 55 2HB ASN 55 32.544 14.152 -7.698 416 HB3 ASN 55 1HB ASN 55 32.661 13.983 -5.950 417 HD21 ASN 55 1HD2 ASN 55 32.157 15.820 -5.020 418 HD22 ASN 55 2HD2 ASN 55 32.662 17.393 -5.525 419 H LEU 56 H LEU 56 34.389 11.753 -5.405 420 HA LEU 56 HA LEU 56 35.399 13.045 -3.061 421 HB2 LEU 56 2HB LEU 56 34.585 10.250 -3.758 422 HB3 LEU 56 1HB LEU 56 35.455 10.555 -2.268 423 HG LEU 56 HG LEU 56 32.794 11.751 -3.041 424 HD11 LEU 56 1HD1 LEU 56 32.377 9.535 -2.444 425 HD12 LEU 56 2HD1 LEU 56 32.112 10.437 -0.951 426 HD13 LEU 56 3HD1 LEU 56 33.615 9.543 -1.187 427 HD21 LEU 56 3HD2 LEU 56 33.706 13.409 -1.733 428 HD22 LEU 56 1HD2 LEU 56 34.680 12.280 -0.791 429 HD23 LEU 56 2HD2 LEU 56 32.942 12.389 -0.513 430 HA PRO 57 HA PRO 57 39.680 12.023 -3.504 431 HB2 PRO 57 2HB PRO 57 40.519 11.996 -0.976 432 HB3 PRO 57 1HB PRO 57 39.855 13.468 -1.697 433 HG2 PRO 57 2HG PRO 57 38.573 11.530 0.177 434 HG3 PRO 57 1HG PRO 57 38.442 13.296 0.126 435 HD2 PRO 57 2HD PRO 57 36.589 11.499 -0.931 436 HD3 PRO 57 1HD PRO 57 36.710 13.221 -1.345 437 H ALA 58 H ALA 58 37.851 9.636 -3.414 438 HA ALA 58 HA ALA 58 38.032 7.371 -3.350 439 HB1 ALA 58 1HB ALA 58 40.041 6.468 -3.936 440 HB2 ALA 58 2HB ALA 58 40.948 7.462 -2.795 441 HB3 ALA 58 3HB ALA 58 40.370 8.159 -4.309 442 H GLY 59 H GLY 59 37.335 6.155 -1.726 443 HA2 GLY 59 2HA GLY 59 37.630 4.946 0.290 444 HA3 GLY 59 1HA GLY 59 38.829 6.129 0.792 445 H GLN 60 H GLN 60 36.991 8.355 0.005 446 HA GLN 60 HA GLN 60 35.781 8.738 2.532 447 HB2 GLN 60 2HB GLN 60 36.580 10.485 0.787 448 HB3 GLN 60 1HB GLN 60 34.986 10.273 0.077 449 HG2 GLN 60 2HG GLN 60 35.097 10.794 2.984 450 HG3 GLN 60 1HG GLN 60 35.529 12.125 1.911 451 HE21 GLN 60 1HE2 GLN 60 33.688 13.259 2.616 452 HE22 GLN 60 2HE2 GLN 60 32.110 12.860 2.035 453 H GLU 61 H GLU 61 33.738 8.438 3.242 454 HA GLU 61 HA GLU 61 31.745 7.444 1.320 455 HB2 GLU 61 2HB GLU 61 32.959 5.786 3.059 456 HB3 GLU 61 1HB GLU 61 31.652 6.370 4.083 457 HG2 GLU 61 2HG GLU 61 30.046 5.324 2.875 458 HG3 GLU 61 1HG GLU 61 30.934 5.466 1.359 459 H ASN 62 H ASN 62 30.127 8.848 1.255 460 HA ASN 62 HA ASN 62 29.401 10.283 3.720 461 HB2 ASN 62 2HB ASN 62 28.254 11.884 2.112 462 HB3 ASN 62 1HB ASN 62 30.014 11.862 2.054 463 HD21 ASN 62 1HD2 ASN 62 27.284 11.858 0.229 464 HD22 ASN 62 2HD2 ASN 62 27.919 11.209 -1.239 465 H ILE 63 H ILE 63 27.462 9.962 4.613 466 HA ILE 63 HA ILE 63 25.636 8.099 3.311 467 HB ILE 63 HB ILE 63 25.459 9.268 6.091 468 HG12 ILE 63 2HG1 ILE 63 27.544 7.971 5.738 469 HG13 ILE 63 1HG1 ILE 63 26.454 7.197 6.884 470 HG21 ILE 63 1HG2 ILE 63 24.127 6.842 4.892 471 HG22 ILE 63 2HG2 ILE 63 23.347 8.398 5.176 472 HG23 ILE 63 3HG2 ILE 63 23.930 7.443 6.539 473 HD11 ILE 63 3HD1 ILE 63 25.643 5.895 4.769 474 HD12 ILE 63 1HD1 ILE 63 27.111 5.413 5.620 475 HD13 ILE 63 2HD1 ILE 63 27.221 6.363 4.138 476 H ILE 64 H ILE 64 24.778 9.484 1.707 477 HA ILE 64 HA ILE 64 23.596 11.992 2.250 478 HB ILE 64 HB ILE 64 22.807 10.133 0.011 479 HG12 ILE 64 2HG1 ILE 64 24.638 11.846 -1.077 480 HG13 ILE 64 1HG1 ILE 64 25.331 11.563 0.516 481 HG21 ILE 64 1HG2 ILE 64 22.693 12.521 -1.093 482 HG22 ILE 64 2HG2 ILE 64 22.482 13.032 0.582 483 HG23 ILE 64 3HG2 ILE 64 21.350 11.887 -0.140 484 HD11 ILE 64 3HD1 ILE 64 24.422 9.165 -0.920 485 HD12 ILE 64 1HD1 ILE 64 25.875 9.439 0.041 486 HD13 ILE 64 2HD1 ILE 64 25.796 10.014 -1.625 487 H THR 65 H THR 65 22.260 8.722 2.021 488 HA THR 65 HA THR 65 20.045 9.495 3.722 489 HB THR 65 HB THR 65 19.511 8.285 1.003 490 HG1 THR 65 1HG THR 65 19.483 10.246 0.312 491 HG21 THR 65 3HG2 THR 65 17.273 9.559 2.262 492 HG22 THR 65 1HG2 THR 65 17.927 8.288 3.294 493 HG23 THR 65 2HG2 THR 65 17.432 7.914 1.644 494 H ALA 66 H ALA 66 20.789 8.042 5.234 495 HA ALA 66 HA ALA 66 21.755 5.492 4.855 496 HB1 ALA 66 1HB ALA 66 20.832 5.049 7.189 497 HB2 ALA 66 2HB ALA 66 20.214 6.699 7.131 498 HB3 ALA 66 3HB ALA 66 21.947 6.402 7.007 499 H GLY 67 H GLY 67 20.895 3.441 4.752 500 HA2 GLY 67 2HA GLY 67 18.292 3.231 3.552 501 HA3 GLY 67 1HA GLY 67 19.402 1.907 3.877 502 H VAL 68 H VAL 68 16.407 2.821 4.504 503 HA VAL 68 HA VAL 68 16.395 1.502 7.125 504 HB VAL 68 HB VAL 68 14.671 3.902 6.508 505 HG11 VAL 68 1HG1 VAL 68 14.464 3.796 9.073 506 HG12 VAL 68 2HG1 VAL 68 15.055 2.143 8.904 507 HG13 VAL 68 3HG1 VAL 68 13.559 2.631 8.109 508 HG21 VAL 68 3HG2 VAL 68 16.198 4.899 8.381 509 HG22 VAL 68 1HG2 VAL 68 16.734 4.910 6.700 510 HG23 VAL 68 2HG2 VAL 68 17.348 3.688 7.813 511 H LYS 69 H LYS 69 15.035 -0.148 7.179 512 HA LYS 69 HA LYS 69 13.487 -0.926 4.982 513 HB2 LYS 69 2HB LYS 69 13.064 -1.836 7.828 514 HB3 LYS 69 1HB LYS 69 12.685 -2.718 6.356 515 HG2 LYS 69 2HG LYS 69 14.631 -3.748 6.739 516 HG3 LYS 69 1HG LYS 69 15.346 -2.295 6.038 517 HD2 LYS 69 2HD LYS 69 16.163 -1.592 8.018 518 HD3 LYS 69 1HD LYS 69 14.733 -2.117 8.908 519 HE2 LYS 69 2HE LYS 69 16.796 -4.029 7.839 520 HE3 LYS 69 1HE LYS 69 16.890 -3.320 9.450 521 HZ1 LYS 69 3HZ LYS 69 15.766 -5.606 9.129 522 HZ2 LYS 69 1HZ LYS 69 14.436 -4.704 8.603 523 HZ3 LYS 69 2HZ LYS 69 15.049 -4.475 10.162 524 H GLY 70 H GLY 70 11.722 0.027 4.237 525 HA2 GLY 70 2HA GLY 70 10.054 1.674 5.917 526 HA3 GLY 70 1HA GLY 70 9.814 1.344 4.205 527 H GLU 71 H GLU 71 7.609 0.878 4.346 528 HA GLU 71 HA GLU 71 6.926 -1.774 4.875 529 HB2 GLU 71 2HB GLU 71 7.133 -0.442 7.251 530 HB3 GLU 71 1HB GLU 71 5.441 -0.168 6.859 531 HG2 GLU 71 2HG GLU 71 4.873 -2.279 7.301 532 HG3 GLU 71 1HG GLU 71 6.297 -2.934 6.495 533 H ARG 72 H ARG 72 5.605 -1.892 3.189 534 HA ARG 72 HA ARG 72 3.758 0.324 2.754 535 HB2 ARG 72 2HB ARG 72 3.972 0.053 0.545 536 HB3 ARG 72 1HB ARG 72 5.421 -0.833 0.950 537 HG2 ARG 72 2HG ARG 72 4.010 -2.922 0.903 538 HG3 ARG 72 1HG ARG 72 2.723 -1.925 0.221 539 HD2 ARG 72 2HD ARG 72 5.165 -1.419 -1.183 540 HD3 ARG 72 1HD ARG 72 4.874 -3.155 -1.132 541 HE ARG 72 HE ARG 72 2.531 -1.721 -1.881 542 HH11 ARG 72 1HH1 ARG 72 5.589 -2.893 -3.089 543 HH12 ARG 72 2HH1 ARG 72 5.046 -2.994 -4.730 544 HH21 ARG 72 1HH2 ARG 72 1.815 -1.856 -4.043 545 HH22 ARG 72 2HH2 ARG 72 2.904 -2.406 -5.272 546 H THR 73 H THR 73 1.647 0.078 2.711 547 HA THR 73 HA THR 73 0.596 -2.211 4.071 548 HB THR 73 HB THR 73 -0.863 0.100 2.794 549 HG1 THR 73 1HG THR 73 -0.590 1.133 4.628 550 HG21 THR 73 3HG2 THR 73 -1.957 -1.483 5.044 551 HG22 THR 73 1HG2 THR 73 -2.070 -2.126 3.402 552 HG23 THR 73 2HG2 THR 73 -2.790 -0.558 3.793 553 H HIS 74 H HIS 74 -0.641 -3.842 3.262 554 HA HIS 74 HA HIS 74 -0.873 -3.905 0.353 555 HB2 HIS 74 2HB HIS 74 0.281 -5.847 2.209 556 HB3 HIS 74 1HB HIS 74 -0.778 -6.540 0.970 557 HD1 HIS 74 1HD HIS 74 0.256 -6.833 -1.243 558 HD2 HIS 74 2HD HIS 74 2.207 -4.042 1.115 559 HE1 HIS 74 1HE HIS 74 2.208 -6.059 -2.636 560 HE2 HIS 74 2HE HIS 74 3.209 -4.186 -1.288 561 H TYR 75 H TYR 75 -2.750 -3.881 -0.400 562 HA TYR 75 HA TYR 75 -5.005 -4.490 1.298 563 HB2 TYR 75 2HB TYR 75 -5.547 -3.609 -1.455 564 HB3 TYR 75 1HB TYR 75 -6.187 -3.007 0.064 565 HD1 TYR 75 1HD TYR 75 -3.205 -2.420 1.145 566 HD2 TYR 75 2HD TYR 75 -5.380 -1.361 -2.357 567 HE1 TYR 75 1HE TYR 75 -1.803 -0.422 0.894 568 HE2 TYR 75 2HE TYR 75 -3.994 0.654 -2.593 569 HH TYR 75 HH TYR 75 -2.431 2.040 -0.407 570 H ILE 76 H ILE 76 -5.938 -6.375 1.307 571 HA ILE 76 HA ILE 76 -5.649 -8.139 -1.027 572 HB ILE 76 HB ILE 76 -6.245 -8.851 1.850 573 HG12 ILE 76 2HG1 ILE 76 -3.956 -9.928 1.697 574 HG13 ILE 76 1HG1 ILE 76 -3.731 -9.052 0.187 575 HG21 ILE 76 1HG2 ILE 76 -7.283 -10.471 0.455 576 HG22 ILE 76 2HG2 ILE 76 -5.786 -11.188 1.051 577 HG23 ILE 76 3HG2 ILE 76 -5.869 -10.563 -0.597 578 HD11 ILE 76 3HD1 ILE 76 -4.578 -7.348 2.387 579 HD12 ILE 76 1HD1 ILE 76 -3.244 -7.160 1.247 580 HD13 ILE 76 2HD1 ILE 76 -3.044 -8.169 2.680 581 H SER 77 H SER 77 -7.486 -9.565 -1.509 582 HA SER 77 HA SER 77 -10.025 -8.141 -1.131 583 HB2 SER 77 2HB SER 77 -8.805 -9.551 -3.353 584 HB3 SER 77 1HB SER 77 -10.418 -10.179 -3.013 585 HG SER 77 HG SER 77 -10.654 -8.462 -4.394 586 H VAL 78 H VAL 78 -11.586 -8.970 0.097 587 HA VAL 78 HA VAL 78 -11.229 -11.678 1.159 588 HB VAL 78 HB VAL 78 -13.160 -9.568 2.122 589 HG11 VAL 78 1HG1 VAL 78 -13.960 -11.416 3.144 590 HG12 VAL 78 2HG1 VAL 78 -12.624 -11.117 4.255 591 HG13 VAL 78 3HG1 VAL 78 -12.448 -12.304 2.963 592 HG21 VAL 78 3HG2 VAL 78 -11.570 -8.978 3.819 593 HG22 VAL 78 1HG2 VAL 78 -10.788 -8.820 2.247 594 HG23 VAL 78 2HG2 VAL 78 -10.448 -10.219 3.265 595 H LEU 79 H LEU 79 -12.108 -13.049 -0.321 596 HA LEU 79 HA LEU 79 -14.908 -12.571 -1.098 597 HB2 LEU 79 2HB LEU 79 -12.681 -14.044 -2.484 598 HB3 LEU 79 1HB LEU 79 -14.362 -14.271 -2.928 599 HG LEU 79 HG LEU 79 -12.798 -11.696 -3.093 600 HD11 LEU 79 1HD1 LEU 79 -12.703 -13.753 -4.819 601 HD12 LEU 79 2HD1 LEU 79 -12.560 -12.063 -5.304 602 HD13 LEU 79 3HD1 LEU 79 -14.108 -12.893 -5.446 603 HD21 LEU 79 3HD2 LEU 79 -15.702 -12.286 -3.628 604 HD22 LEU 79 1HD2 LEU 79 -14.870 -10.846 -4.215 605 HD23 LEU 79 2HD2 LEU 79 -15.029 -11.128 -2.481 606 H THR 80 H THR 80 -16.262 -13.708 0.120 607 HA THR 80 HA THR 80 -15.439 -16.130 1.445 608 HB THR 80 HB THR 80 -18.292 -15.256 1.365 609 HG1 THR 80 1HG THR 80 -17.830 -13.653 2.901 610 HG21 THR 80 3HG2 THR 80 -16.720 -16.943 3.007 611 HG22 THR 80 1HG2 THR 80 -18.442 -16.581 3.121 612 HG23 THR 80 2HG2 THR 80 -17.273 -15.579 3.980 613 H GLU 81 H GLU 81 -15.097 -17.735 -0.031 614 HA GLU 81 HA GLU 81 -17.383 -18.484 -1.733 615 HB2 GLU 81 2HB GLU 81 -15.619 -19.753 -3.062 616 HB3 GLU 81 1HB GLU 81 -15.574 -17.999 -3.167 617 HG2 GLU 81 2HG GLU 81 -13.638 -17.835 -1.937 618 HG3 GLU 81 1HG GLU 81 -13.888 -19.389 -1.143 619 H ASN 82 H ASN 82 -18.428 -20.267 -1.176 620 HA ASN 82 HA ASN 82 -18.947 -22.271 -0.234 621 HB2 ASN 82 2HB ASN 82 -15.984 -22.853 -0.385 622 HB3 ASN 82 1HB ASN 82 -17.295 -24.027 -0.304 623 HD21 ASN 82 1HD2 ASN 82 -15.116 -23.376 -2.303 624 HD22 ASN 82 2HD2 ASN 82 -15.950 -23.280 -3.812 625 H GLY 83 H GLY 83 -18.404 -20.043 1.487 626 HA2 GLY 83 2HA GLY 83 -18.349 -19.674 3.757 627 HA3 GLY 83 1HA GLY 83 -18.280 -21.417 3.978 628 H LYS 84 H LYS 84 -16.010 -19.296 2.270 629 HA LYS 84 HA LYS 84 -14.056 -19.488 4.387 630 HB2 LYS 84 2HB LYS 84 -13.887 -21.656 3.094 631 HB3 LYS 84 1HB LYS 84 -13.376 -20.701 1.708 632 HG2 LYS 84 2HG LYS 84 -11.644 -19.789 3.540 633 HG3 LYS 84 1HG LYS 84 -11.910 -21.419 4.162 634 HD2 LYS 84 2HD LYS 84 -11.195 -20.831 1.295 635 HD3 LYS 84 1HD LYS 84 -9.998 -21.183 2.542 636 HE2 LYS 84 2HE LYS 84 -10.280 -23.310 1.864 637 HE3 LYS 84 1HE LYS 84 -11.709 -23.247 2.895 638 HZ1 LYS 84 3HZ LYS 84 -11.532 -23.087 -0.038 639 HZ2 LYS 84 1HZ LYS 84 -12.849 -22.386 0.763 640 HZ3 LYS 84 2HZ LYS 84 -12.547 -24.042 0.920 641 H THR 85 H THR 85 -12.518 -17.905 4.275 642 HA THR 85 HA THR 85 -12.838 -15.979 2.082 643 HB THR 85 HB THR 85 -11.404 -14.588 3.854 644 HG1 THR 85 1HG THR 85 -12.897 -16.359 5.485 645 HG21 THR 85 3HG2 THR 85 -14.328 -15.033 4.366 646 HG22 THR 85 1HG2 THR 85 -13.712 -14.069 3.024 647 HG23 THR 85 2HG2 THR 85 -13.372 -13.586 4.686 648 H THR 86 H THR 86 -11.376 -16.150 0.523 649 HA THR 86 HA THR 86 -8.718 -17.197 1.131 650 HB THR 86 HB THR 86 -9.476 -16.452 -1.644 651 HG1 THR 86 1HG THR 86 -11.186 -17.636 -1.650 652 HG21 THR 86 3HG2 THR 86 -7.862 -17.856 -2.180 653 HG22 THR 86 1HG2 THR 86 -8.621 -19.156 -1.263 654 HG23 THR 86 2HG2 THR 86 -7.511 -18.045 -0.463 655 H GLU 87 H GLU 87 -7.039 -15.898 1.423 656 HA GLU 87 HA GLU 87 -7.291 -13.064 0.857 657 HB2 GLU 87 2HB GLU 87 -5.399 -14.767 2.416 658 HB3 GLU 87 1HB GLU 87 -4.848 -13.190 1.870 659 HG2 GLU 87 2HG GLU 87 -6.909 -12.230 2.966 660 HG3 GLU 87 1HG GLU 87 -7.144 -13.815 3.700 661 H THR 88 H THR 88 -7.226 -12.983 -1.399 662 HA THR 88 HA THR 88 -4.744 -13.893 -2.677 663 HB THR 88 HB THR 88 -6.859 -14.668 -3.681 664 HG1 THR 88 1HG THR 88 -5.847 -14.556 -5.497 665 HG21 THR 88 3HG2 THR 88 -8.248 -13.078 -4.949 666 HG22 THR 88 1HG2 THR 88 -7.383 -11.750 -4.175 667 HG23 THR 88 2HG2 THR 88 -8.353 -12.856 -3.202 668 H VAL 89 H VAL 89 -3.288 -12.491 -3.472 669 HA VAL 89 HA VAL 89 -3.179 -9.843 -2.688 670 HB VAL 89 HB VAL 89 -1.514 -9.556 -4.592 671 HG11 VAL 89 1HG1 VAL 89 0.175 -10.817 -3.474 672 HG12 VAL 89 2HG1 VAL 89 -1.020 -11.923 -2.797 673 HG13 VAL 89 3HG1 VAL 89 -0.961 -10.247 -2.253 674 HG21 VAL 89 3HG2 VAL 89 -2.585 -11.312 -6.026 675 HG22 VAL 89 1HG2 VAL 89 -1.922 -12.522 -4.928 676 HG23 VAL 89 2HG2 VAL 89 -0.838 -11.473 -5.841 677 H LEU 90 H LEU 90 -4.201 -8.056 -3.306 678 HA LEU 90 HA LEU 90 -5.607 -8.081 -5.892 679 HB2 LEU 90 2HB LEU 90 -6.615 -7.637 -3.362 680 HB3 LEU 90 1HB LEU 90 -6.412 -6.014 -3.992 681 HG LEU 90 HG LEU 90 -8.677 -6.952 -4.372 682 HD11 LEU 90 1HD1 LEU 90 -7.440 -5.267 -5.891 683 HD12 LEU 90 2HD1 LEU 90 -8.924 -6.018 -6.477 684 HD13 LEU 90 3HD1 LEU 90 -7.358 -6.608 -7.034 685 HD21 LEU 90 3HD2 LEU 90 -7.621 -8.695 -6.528 686 HD22 LEU 90 1HD2 LEU 90 -9.091 -8.846 -5.568 687 HD23 LEU 90 2HD2 LEU 90 -7.534 -9.290 -4.870 688 H ASP 91 H ASP 91 -4.387 -5.587 -3.645 689 HA ASP 91 HA ASP 91 -2.523 -4.526 -5.499 690 HB2 ASP 91 2HB ASP 91 -5.009 -3.842 -6.255 691 HB3 ASP 91 1HB ASP 91 -4.700 -2.546 -5.100 692 H SER 92 H SER 92 -1.193 -3.018 -4.580 693 HA SER 92 HA SER 92 -1.889 -1.858 -1.979 694 HB2 SER 92 2HB SER 92 0.801 -3.104 -2.232 695 HB3 SER 92 1HB SER 92 -0.157 -2.723 -0.796 696 HG SER 92 HG SER 92 -0.390 -4.901 -2.568 697 H GLN 93 H GLN 93 -0.277 -0.294 -1.279 698 HA GLN 93 HA GLN 93 1.173 0.964 -3.497 699 HB2 GLN 93 2HB GLN 93 0.245 3.038 -3.129 700 HB3 GLN 93 1HB GLN 93 -1.131 2.024 -2.702 701 HG2 GLN 93 2HG GLN 93 -0.446 2.197 -0.319 702 HG3 GLN 93 1HG GLN 93 0.813 3.335 -0.811 703 HE21 GLN 93 1HE2 GLN 93 0.288 5.418 -1.245 704 HE22 GLN 93 2HE2 GLN 93 -1.301 6.072 -1.060 705 H VAL 94 H VAL 94 2.847 2.574 -2.576 706 HA VAL 94 HA VAL 94 4.217 1.187 -0.435 707 HB VAL 94 HB VAL 94 5.530 1.936 -2.365 708 HG11 VAL 94 1HG1 VAL 94 5.414 3.975 -3.267 709 HG12 VAL 94 2HG1 VAL 94 5.518 4.774 -1.700 710 HG13 VAL 94 3HG1 VAL 94 3.963 4.188 -2.289 711 HG21 VAL 94 3HG2 VAL 94 7.378 2.695 -1.181 712 HG22 VAL 94 1HG2 VAL 94 6.408 1.912 0.067 713 HG23 VAL 94 2HG2 VAL 94 6.400 3.668 -0.082 714 H THR 95 H THR 95 3.472 1.630 1.553 715 HA THR 95 HA THR 95 2.923 4.454 2.184 716 HB THR 95 HB THR 95 1.204 3.778 3.666 717 HG1 THR 95 1HG THR 95 2.107 2.092 4.746 718 HG21 THR 95 3HG2 THR 95 -0.131 3.407 1.933 719 HG22 THR 95 1HG2 THR 95 0.170 1.680 2.166 720 HG23 THR 95 2HG2 THR 95 1.148 2.609 1.023 721 H LYS 96 H LYS 96 5.131 4.675 2.625 722 HA LYS 96 HA LYS 96 6.001 5.097 5.058 723 HB2 LYS 96 2HB LYS 96 5.571 2.899 5.907 724 HB3 LYS 96 1HB LYS 96 6.388 2.148 4.548 725 HG2 LYS 96 2HG LYS 96 7.727 2.030 6.578 726 HG3 LYS 96 1HG LYS 96 8.524 3.001 5.339 727 HD2 LYS 96 2HD LYS 96 8.376 4.900 6.549 728 HD3 LYS 96 1HD LYS 96 6.778 4.493 7.180 729 HE2 LYS 96 2HE LYS 96 9.000 2.816 8.146 730 HE3 LYS 96 1HE LYS 96 9.037 4.501 8.661 731 HZ1 LYS 96 3HZ LYS 96 7.789 2.824 10.104 732 HZ2 LYS 96 1HZ LYS 96 6.580 2.887 8.923 733 HZ3 LYS 96 2HZ LYS 96 7.018 4.290 9.758 734 H GLU 97 H GLU 97 6.805 3.549 2.050 735 HA GLU 97 HA GLU 97 8.552 3.746 0.618 736 HB2 GLU 97 2HB GLU 97 8.601 6.347 2.094 737 HB3 GLU 97 1HB GLU 97 9.916 5.967 0.989 738 HG2 GLU 97 2HG GLU 97 8.581 6.991 -0.498 739 HG3 GLU 97 1HG GLU 97 7.833 5.398 -0.594 740 H VAL 98 H VAL 98 10.046 2.210 0.925 741 HA VAL 98 HA VAL 98 11.600 2.010 3.309 742 HB VAL 98 HB VAL 98 11.100 -0.004 2.052 743 HG11 VAL 98 1HG1 VAL 98 12.896 0.183 -0.142 744 HG12 VAL 98 2HG1 VAL 98 11.818 1.581 -0.188 745 HG13 VAL 98 3HG1 VAL 98 11.147 -0.050 -0.165 746 HG21 VAL 98 3HG2 VAL 98 13.935 -0.082 1.502 747 HG22 VAL 98 1HG2 VAL 98 13.000 -0.937 2.728 748 HG23 VAL 98 2HG2 VAL 98 13.596 0.690 3.049 749 H ILE 99 H ILE 99 13.080 3.459 3.786 750 HA ILE 99 HA ILE 99 14.364 5.143 1.925 751 HB ILE 99 HB ILE 99 15.355 4.458 4.694 752 HG12 ILE 99 2HG1 ILE 99 13.028 5.145 4.829 753 HG13 ILE 99 1HG1 ILE 99 14.056 6.443 5.423 754 HG21 ILE 99 1HG2 ILE 99 15.706 7.015 3.148 755 HG22 ILE 99 2HG2 ILE 99 16.881 5.700 3.118 756 HG23 ILE 99 3HG2 ILE 99 16.516 6.521 4.635 757 HD11 ILE 99 3HD1 ILE 99 12.724 6.292 2.732 758 HD12 ILE 99 1HD1 ILE 99 13.838 7.563 3.237 759 HD13 ILE 99 2HD1 ILE 99 12.298 7.358 4.072 760 H ASN 100 H ASN 100 15.990 4.768 0.588 761 HA ASN 100 HA ASN 100 17.505 2.292 0.838 762 HB2 ASN 100 2HB ASN 100 17.030 4.268 -1.358 763 HB3 ASN 100 1HB ASN 100 18.451 3.230 -1.435 764 HD21 ASN 100 1HD2 ASN 100 18.027 1.716 -2.874 765 HD22 ASN 100 2HD2 ASN 100 16.596 0.750 -2.937 766 H GLN 101 H GLN 101 19.629 2.165 1.310 767 HA GLN 101 HA GLN 101 20.897 4.369 2.565 768 HB2 GLN 101 2HB GLN 101 21.282 1.973 3.152 769 HB3 GLN 101 1HB GLN 101 22.159 1.787 1.639 770 HG2 GLN 101 2HG GLN 101 24.011 2.482 2.610 771 HG3 GLN 101 1HG GLN 101 23.243 4.019 3.006 772 HE21 GLN 101 1HE2 GLN 101 24.401 4.138 4.942 773 HE22 GLN 101 2HE2 GLN 101 23.989 3.169 6.311 774 H VAL 102 H VAL 102 21.309 6.087 1.261 775 HA VAL 102 HA VAL 102 22.611 5.670 -1.313 776 HB VAL 102 HB VAL 102 21.818 8.293 -0.048 777 HG11 VAL 102 1HG1 VAL 102 21.895 7.928 -2.974 778 HG12 VAL 102 2HG1 VAL 102 23.453 7.912 -2.147 779 HG13 VAL 102 3HG1 VAL 102 22.384 9.305 -1.987 780 HG21 VAL 102 3HG2 VAL 102 20.239 6.608 -1.990 781 HG22 VAL 102 1HG2 VAL 102 19.777 8.186 -1.352 782 HG23 VAL 102 2HG2 VAL 102 19.877 6.794 -0.274 783 H VAL 103 H VAL 103 24.718 5.157 -0.995 784 HA VAL 103 HA VAL 103 26.354 7.143 0.438 785 HB VAL 103 HB VAL 103 27.887 5.320 1.113 786 HG11 VAL 103 1HG1 VAL 103 26.689 4.714 3.016 787 HG12 VAL 103 2HG1 VAL 103 25.153 4.667 2.152 788 HG13 VAL 103 3HG1 VAL 103 25.918 6.215 2.506 789 HG21 VAL 103 3HG2 VAL 103 25.765 3.617 -0.157 790 HG22 VAL 103 1HG2 VAL 103 26.849 2.984 1.081 791 HG23 VAL 103 2HG2 VAL 103 27.507 3.601 -0.434 792 H GLU 104 H GLU 104 27.929 8.004 -0.745 793 HA GLU 104 HA GLU 104 28.648 6.681 -3.273 794 HB2 GLU 104 2HB GLU 104 29.010 9.590 -2.541 795 HB3 GLU 104 1HB GLU 104 29.250 8.862 -4.124 796 HG2 GLU 104 2HG GLU 104 26.586 8.390 -3.064 797 HG3 GLU 104 1HG GLU 104 26.967 10.104 -3.228 798 H VAL 105 H VAL 105 30.461 5.539 -3.037 799 HA VAL 105 HA VAL 105 32.539 6.421 -1.200 800 HB VAL 105 HB VAL 105 32.553 3.971 -2.963 801 HG11 VAL 105 1HG1 VAL 105 34.728 4.696 -2.040 802 HG12 VAL 105 2HG1 VAL 105 34.207 3.130 -1.417 803 HG13 VAL 105 3HG1 VAL 105 34.051 4.575 -0.416 804 HG21 VAL 105 3HG2 VAL 105 30.568 4.109 -1.425 805 HG22 VAL 105 1HG2 VAL 105 31.703 4.098 -0.076 806 HG23 VAL 105 2HG2 VAL 105 31.620 2.717 -1.170 807 H GLY 106 H GLY 106 34.593 7.042 -1.778 808 HA2 GLY 106 2HA GLY 106 34.910 8.348 -4.264 809 HA3 GLY 106 1HA GLY 106 36.179 8.068 -3.083 810 H ALA 107 H ALA 107 36.023 7.841 -6.096 811 HA ALA 107 HA ALA 107 37.780 5.666 -6.390 812 HB1 ALA 107 1HB ALA 107 35.352 4.949 -7.898 813 HB2 ALA 107 2HB ALA 107 35.273 4.706 -6.153 814 HB3 ALA 107 3HB ALA 107 36.539 3.920 -7.097 815 HA PRO 108 HA PRO 108 37.888 8.779 -9.777 816 HB2 PRO 108 2HB PRO 108 40.596 8.841 -9.957 817 HB3 PRO 108 1HB PRO 108 39.692 9.801 -8.780 818 HG2 PRO 108 2HG PRO 108 41.121 7.195 -8.404 819 HG3 PRO 108 1HG PRO 108 41.101 8.623 -7.351 820 HD2 PRO 108 2HD PRO 108 39.579 6.435 -6.870 821 HD3 PRO 108 1HD PRO 108 39.057 8.076 -6.436 822 H VAL 109 H VAL 109 37.216 7.693 -11.550 823 HA VAL 109 HA VAL 109 38.529 5.293 -12.461 824 HB VAL 109 HB VAL 109 36.928 5.439 -14.373 825 HG11 VAL 109 1HG1 VAL 109 34.867 5.148 -12.921 826 HG12 VAL 109 2HG1 VAL 109 35.905 5.526 -11.548 827 HG13 VAL 109 3HG1 VAL 109 36.247 4.115 -12.548 828 HG21 VAL 109 3HG2 VAL 109 35.529 7.187 -14.721 829 HG22 VAL 109 1HG2 VAL 109 36.820 8.071 -13.906 830 HG23 VAL 109 2HG2 VAL 109 35.394 7.563 -13.002 831 H THR 110 H THR 110 39.077 5.144 -14.865 832 HA THR 110 HA THR 110 40.080 7.546 -16.101 833 HB THR 110 HB THR 110 41.947 7.233 -14.678 834 HG1 THR 110 1HG THR 110 43.282 7.359 -16.273 835 HG21 THR 110 3HG2 THR 110 41.662 5.069 -13.783 836 HG22 THR 110 1HG2 THR 110 43.206 5.062 -14.636 837 HG23 THR 110 2HG2 THR 110 41.788 4.317 -15.373 838 H HIS 111 H HIS 111 38.539 6.746 -17.658 839 HA HIS 111 HA HIS 111 39.745 5.324 -19.770 840 HB2 HIS 111 2HB HIS 111 38.270 3.328 -19.790 841 HB3 HIS 111 1HB HIS 111 39.363 3.350 -18.411 842 HD1 HIS 111 1HD HIS 111 36.225 2.200 -18.961 843 HD2 HIS 111 2HD HIS 111 37.648 5.025 -16.267 844 HE1 HIS 111 1HE HIS 111 34.514 2.293 -17.120 845 HE2 HIS 111 2HE HIS 111 35.352 4.074 -15.547 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -39.940 18.053 -44.682 2 H2 MET 1 2HT MET 1 -40.700 16.515 -44.643 3 H3 MET 1 3HT MET 1 -38.988 16.628 -44.697 4 HA MET 1 HA MET 1 -40.637 17.686 -42.508 5 HB2 MET 1 2HB MET 1 -39.418 14.985 -43.000 6 HB3 MET 1 1HB MET 1 -39.604 15.587 -41.358 7 HG2 MET 1 2HG MET 1 -41.971 15.685 -43.138 8 HG3 MET 1 1HG MET 1 -41.447 14.110 -42.542 9 HE1 MET 1 2HE MET 1 -43.477 17.412 -41.490 10 HE2 MET 1 3HE MET 1 -44.494 16.283 -40.597 11 HE3 MET 1 1HE MET 1 -44.059 15.942 -42.272 12 H GLY 2 H GLY 2 -37.521 16.010 -42.907 13 HA2 GLY 2 2HA GLY 2 -35.647 17.884 -42.863 14 HA3 GLY 2 1HA GLY 2 -36.263 18.037 -41.225 15 H SER 3 H SER 3 -35.732 15.147 -43.223 16 HA SER 3 HA SER 3 -33.373 14.343 -41.864 17 HB2 SER 3 2HB SER 3 -35.999 13.174 -40.956 18 HB3 SER 3 1HB SER 3 -34.487 12.279 -40.800 19 HG SER 3 HG SER 3 -35.277 13.747 -38.997 20 H SER 4 H SER 4 -32.340 12.768 -42.982 21 HA SER 4 HA SER 4 -33.672 11.780 -45.382 22 HB2 SER 4 2HB SER 4 -30.792 11.939 -44.518 23 HB3 SER 4 1HB SER 4 -31.281 10.968 -45.905 24 HG SER 4 HG SER 4 -30.934 12.862 -46.836 25 H HIS 5 H HIS 5 -31.220 10.249 -43.314 26 HA HIS 5 HA HIS 5 -31.038 8.147 -42.469 27 HB2 HIS 5 2HB HIS 5 -34.037 8.474 -42.407 28 HB3 HIS 5 1HB HIS 5 -33.229 7.043 -41.775 29 HD1 HIS 5 1HD HIS 5 -30.809 9.020 -40.677 30 HD2 HIS 5 2HD HIS 5 -34.859 9.068 -39.750 31 HE1 HIS 5 1HE HIS 5 -30.974 10.162 -38.442 32 HE2 HIS 5 2HE HIS 5 -33.442 10.257 -37.942 33 H HIS 6 H HIS 6 -30.751 8.310 -45.190 34 HA HIS 6 HA HIS 6 -32.365 6.617 -46.723 35 HB2 HIS 6 2HB HIS 6 -29.574 7.649 -46.963 36 HB3 HIS 6 1HB HIS 6 -30.077 6.342 -48.031 37 HD1 HIS 6 1HD HIS 6 -29.634 9.708 -48.329 38 HD2 HIS 6 2HD HIS 6 -32.963 7.312 -48.991 39 HE1 HIS 6 1HE HIS 6 -31.107 11.018 -49.891 40 HE2 HIS 6 2HE HIS 6 -33.154 9.586 -50.208 41 H HIS 7 H HIS 7 -29.031 5.779 -45.815 42 HA HIS 7 HA HIS 7 -28.062 3.806 -45.234 43 HB2 HIS 7 2HB HIS 7 -30.719 3.705 -43.902 44 HB3 HIS 7 1HB HIS 7 -29.805 2.202 -43.986 45 HD1 HIS 7 1HD HIS 7 -27.629 2.056 -42.602 46 HD2 HIS 7 2HD HIS 7 -29.657 5.660 -42.202 47 HE1 HIS 7 1HE HIS 7 -26.575 3.205 -40.628 48 HE2 HIS 7 2HE HIS 7 -27.876 5.345 -40.353 49 H HIS 8 H HIS 8 -27.912 3.336 -47.528 50 HA HIS 8 HA HIS 8 -29.729 1.182 -48.385 51 HB2 HIS 8 2HB HIS 8 -28.247 3.288 -49.936 52 HB3 HIS 8 1HB HIS 8 -28.782 1.803 -50.715 53 HD1 HIS 8 1HD HIS 8 -31.554 1.579 -49.285 54 HD2 HIS 8 2HD HIS 8 -30.047 5.018 -51.066 55 HE1 HIS 8 1HE HIS 8 -33.564 2.985 -49.839 56 HE2 HIS 8 2HE HIS 8 -32.633 5.022 -50.993 57 H HIS 9 H HIS 9 -27.492 0.747 -46.662 58 HA HIS 9 HA HIS 9 -25.613 -0.657 -48.436 59 HB2 HIS 9 2HB HIS 9 -24.778 1.079 -46.739 60 HB3 HIS 9 1HB HIS 9 -25.173 -0.113 -45.504 61 HD1 HIS 9 1HD HIS 9 -23.702 -1.179 -48.778 62 HD2 HIS 9 2HD HIS 9 -22.490 -0.536 -44.856 63 HE1 HIS 9 1HE HIS 9 -21.392 -2.158 -48.619 64 HE2 HIS 9 2HE HIS 9 -20.644 -1.678 -46.262 65 H SER 10 H SER 10 -25.153 -2.823 -48.131 66 HA SER 10 HA SER 10 -27.232 -4.466 -47.217 67 HB2 SER 10 2HB SER 10 -24.439 -5.526 -47.373 68 HB3 SER 10 1HB SER 10 -25.946 -6.252 -47.933 69 HG SER 10 HG SER 10 -25.520 -5.440 -49.811 70 H SER 11 H SER 11 -27.721 -3.836 -45.085 71 HA SER 11 HA SER 11 -25.864 -4.930 -43.086 72 HB2 SER 11 2HB SER 11 -25.683 -2.491 -43.008 73 HB3 SER 11 1HB SER 11 -27.432 -2.352 -42.832 74 HG SER 11 HG SER 11 -27.287 -3.311 -40.826 75 H GLY 12 H GLY 12 -26.780 -6.464 -41.897 76 HA2 GLY 12 2HA GLY 12 -29.274 -6.291 -40.648 77 HA3 GLY 12 1HA GLY 12 -29.502 -7.173 -42.151 78 H LEU 13 H LEU 13 -26.865 -7.168 -39.761 79 HA LEU 13 HA LEU 13 -26.969 -10.090 -39.737 80 HB2 LEU 13 2HB LEU 13 -24.832 -8.647 -40.051 81 HB3 LEU 13 1HB LEU 13 -24.916 -8.436 -38.312 82 HG LEU 13 HG LEU 13 -25.068 -11.088 -38.359 83 HD11 LEU 13 1HD1 LEU 13 -23.374 -11.813 -40.151 84 HD12 LEU 13 2HD1 LEU 13 -23.830 -10.323 -40.977 85 HD13 LEU 13 3HD1 LEU 13 -25.049 -11.553 -40.639 86 HD21 LEU 13 3HD2 LEU 13 -22.703 -11.155 -37.926 87 HD22 LEU 13 1HD2 LEU 13 -23.370 -9.678 -37.232 88 HD23 LEU 13 2HD2 LEU 13 -22.469 -9.612 -38.747 89 H VAL 14 H VAL 14 -27.365 -7.310 -37.638 90 HA VAL 14 HA VAL 14 -29.032 -8.639 -35.827 91 HB VAL 14 HB VAL 14 -27.028 -9.838 -35.127 92 HG11 VAL 14 1HG1 VAL 14 -25.767 -7.361 -34.067 93 HG12 VAL 14 2HG1 VAL 14 -25.575 -7.738 -35.781 94 HG13 VAL 14 3HG1 VAL 14 -25.030 -8.885 -34.558 95 HG21 VAL 14 3HG2 VAL 14 -27.029 -8.478 -32.700 96 HG22 VAL 14 1HG2 VAL 14 -28.081 -9.814 -33.165 97 HG23 VAL 14 2HG2 VAL 14 -28.616 -8.150 -33.394 98 HA PRO 15 HA PRO 15 -29.143 -4.044 -35.637 99 HB2 PRO 15 2HB PRO 15 -31.845 -3.888 -35.418 100 HB3 PRO 15 1HB PRO 15 -31.014 -4.035 -36.971 101 HG2 PRO 15 2HG PRO 15 -32.351 -6.152 -35.331 102 HG3 PRO 15 1HG PRO 15 -32.418 -5.886 -37.083 103 HD2 PRO 15 2HD PRO 15 -30.829 -7.766 -35.959 104 HD3 PRO 15 1HD PRO 15 -30.378 -6.901 -37.442 105 H ARG 16 H ARG 16 -29.190 -2.799 -33.837 106 HA ARG 16 HA ARG 16 -29.404 -2.167 -31.662 107 HB2 ARG 16 2HB ARG 16 -31.829 -3.242 -32.229 108 HB3 ARG 16 1HB ARG 16 -31.317 -4.292 -30.916 109 HG2 ARG 16 2HG ARG 16 -32.600 -2.490 -30.011 110 HG3 ARG 16 1HG ARG 16 -30.917 -2.282 -29.526 111 HD2 ARG 16 2HD ARG 16 -31.982 -0.172 -30.247 112 HD3 ARG 16 1HD ARG 16 -30.585 -0.610 -31.230 113 HE ARG 16 HE ARG 16 -31.968 -0.822 -33.042 114 HH11 ARG 16 1HH1 ARG 16 -33.909 -0.741 -30.144 115 HH12 ARG 16 2HH1 ARG 16 -35.409 -0.636 -31.002 116 HH21 ARG 16 1HH2 ARG 16 -33.940 -0.683 -34.172 117 HH22 ARG 16 2HH2 ARG 16 -35.428 -0.603 -33.290 118 H GLY 17 H GLY 17 -30.009 -5.679 -31.448 119 HA2 GLY 17 2HA GLY 17 -28.903 -7.331 -30.302 120 HA3 GLY 17 1HA GLY 17 -27.438 -6.432 -30.664 121 H SER 18 H SER 18 -30.271 -5.865 -28.572 122 HA SER 18 HA SER 18 -30.445 -5.301 -26.375 123 HB2 SER 18 2HB SER 18 -27.724 -6.588 -26.069 124 HB3 SER 18 1HB SER 18 -28.924 -6.331 -24.805 125 HG SER 18 HG SER 18 -29.334 -7.946 -27.101 126 H HIS 19 H HIS 19 -29.516 -3.316 -28.086 127 HA HIS 19 HA HIS 19 -28.592 -1.239 -28.063 128 HB2 HIS 19 2HB HIS 19 -29.583 -1.558 -25.588 129 HB3 HIS 19 1HB HIS 19 -27.879 -1.376 -25.183 130 HD1 HIS 19 1HD HIS 19 -30.120 0.480 -27.648 131 HD2 HIS 19 2HD HIS 19 -27.505 1.205 -24.501 132 HE1 HIS 19 1HE HIS 19 -30.003 2.982 -27.434 133 HE2 HIS 19 2HE HIS 19 -28.350 3.398 -25.579 134 H MET 20 H MET 20 -26.903 -3.034 -29.025 135 HA MET 20 HA MET 20 -24.714 -3.445 -29.485 136 HB2 MET 20 2HB MET 20 -24.597 -0.802 -28.092 137 HB3 MET 20 1HB MET 20 -23.094 -1.642 -28.451 138 HG2 MET 20 2HG MET 20 -23.305 -0.346 -30.311 139 HG3 MET 20 1HG MET 20 -24.117 -1.815 -30.850 140 HE1 MET 20 3HE MET 20 -25.979 2.270 -30.000 141 HE2 MET 20 1HE MET 20 -24.269 1.836 -30.009 142 HE3 MET 20 2HE MET 20 -25.284 1.394 -28.636 143 H SER 21 H SER 21 -22.448 -3.665 -28.325 144 HA SER 21 HA SER 21 -22.903 -4.783 -25.638 145 HB2 SER 21 2HB SER 21 -21.009 -6.443 -26.422 146 HB3 SER 21 1HB SER 21 -22.693 -6.749 -26.843 147 HG SER 21 HG SER 21 -22.274 -5.757 -28.869 148 H LEU 22 H LEU 22 -21.123 -4.737 -24.208 149 HA LEU 22 HA LEU 22 -19.318 -3.790 -23.198 150 HB2 LEU 22 2HB LEU 22 -18.359 -4.858 -25.457 151 HB3 LEU 22 1HB LEU 22 -17.997 -3.172 -25.784 152 HG LEU 22 HG LEU 22 -17.156 -4.311 -23.161 153 HD11 LEU 22 1HD1 LEU 22 -15.467 -5.581 -23.942 154 HD12 LEU 22 2HD1 LEU 22 -15.222 -4.572 -25.368 155 HD13 LEU 22 3HD1 LEU 22 -16.529 -5.753 -25.339 156 HD21 LEU 22 3HD2 LEU 22 -16.746 -2.009 -23.409 157 HD22 LEU 22 1HD2 LEU 22 -16.159 -2.207 -25.060 158 HD23 LEU 22 2HD2 LEU 22 -15.194 -2.792 -23.705 159 H ASP 23 H ASP 23 -21.549 -2.124 -24.005 160 HA ASP 23 HA ASP 23 -20.429 0.416 -23.438 161 HB2 ASP 23 2HB ASP 23 -19.851 0.195 -25.874 162 HB3 ASP 23 1HB ASP 23 -21.578 0.140 -26.222 163 H GLU 24 H GLU 24 -21.918 1.500 -22.330 164 HA GLU 24 HA GLU 24 -24.653 1.656 -23.111 165 HB2 GLU 24 2HB GLU 24 -25.653 0.521 -21.200 166 HB3 GLU 24 1HB GLU 24 -24.672 -0.600 -22.134 167 HG2 GLU 24 2HG GLU 24 -23.724 0.780 -19.637 168 HG3 GLU 24 1HG GLU 24 -24.451 -0.825 -19.667 169 H ASN 25 H ASN 25 -25.847 3.159 -21.863 170 HA ASN 25 HA ASN 25 -24.328 5.273 -20.799 171 HB2 ASN 25 2HB ASN 25 -26.852 5.072 -21.726 172 HB3 ASN 25 1HB ASN 25 -27.176 5.071 -19.995 173 HD21 ASN 25 1HD2 ASN 25 -26.340 6.929 -22.717 174 HD22 ASN 25 2HD2 ASN 25 -26.168 8.451 -21.920 175 H GLU 26 H GLU 26 -26.682 3.207 -19.087 176 HA GLU 26 HA GLU 26 -25.004 2.618 -16.917 177 HB2 GLU 26 2HB GLU 26 -26.013 4.041 -15.177 178 HB3 GLU 26 1HB GLU 26 -25.160 4.985 -16.390 179 HG2 GLU 26 2HG GLU 26 -27.553 5.119 -17.478 180 HG3 GLU 26 1HG GLU 26 -28.069 4.804 -15.823 181 H VAL 27 H VAL 27 -25.955 0.598 -17.280 182 HA VAL 27 HA VAL 27 -28.762 0.163 -17.215 183 HB VAL 27 HB VAL 27 -27.224 -1.415 -18.301 184 HG11 VAL 27 1HG1 VAL 27 -25.718 -2.793 -17.131 185 HG12 VAL 27 2HG1 VAL 27 -26.389 -2.336 -15.566 186 HG13 VAL 27 3HG1 VAL 27 -25.452 -1.168 -16.499 187 HG21 VAL 27 3HG2 VAL 27 -28.598 -2.832 -16.033 188 HG22 VAL 27 1HG2 VAL 27 -28.350 -3.392 -17.687 189 HG23 VAL 27 2HG2 VAL 27 -29.486 -2.083 -17.360 190 H ALA 28 H ALA 28 -26.190 -0.221 -14.799 191 HA ALA 28 HA ALA 28 -27.825 0.455 -12.622 192 HB1 ALA 28 1HB ALA 28 -27.610 -2.005 -11.625 193 HB2 ALA 28 2HB ALA 28 -27.744 -2.420 -13.334 194 HB3 ALA 28 3HB ALA 28 -29.014 -1.479 -12.553 195 H ALA 29 H ALA 29 -25.380 -2.110 -13.018 196 HA ALA 29 HA ALA 29 -23.216 -0.527 -12.111 197 HB1 ALA 29 1HB ALA 29 -24.756 -2.045 -10.075 198 HB2 ALA 29 2HB ALA 29 -23.896 -0.512 -9.934 199 HB3 ALA 29 3HB ALA 29 -22.998 -2.030 -9.944 200 H ASN 30 H ASN 30 -24.585 -3.787 -12.282 201 HA ASN 30 HA ASN 30 -23.744 -5.761 -13.031 202 HB2 ASN 30 2HB ASN 30 -22.258 -3.718 -14.592 203 HB3 ASN 30 1HB ASN 30 -21.605 -5.353 -14.608 204 HD21 ASN 30 1HD2 ASN 30 -24.596 -3.535 -15.099 205 HD22 ASN 30 2HD2 ASN 30 -25.233 -4.575 -16.324 206 H VAL 31 H VAL 31 -23.132 -6.095 -10.757 207 HA VAL 31 HA VAL 31 -20.256 -6.595 -10.562 208 HB VAL 31 HB VAL 31 -20.304 -5.802 -8.164 209 HG11 VAL 31 1HG1 VAL 31 -20.414 -4.047 -10.560 210 HG12 VAL 31 2HG1 VAL 31 -19.074 -4.384 -9.465 211 HG13 VAL 31 3HG1 VAL 31 -20.364 -3.286 -8.970 212 HG21 VAL 31 3HG2 VAL 31 -22.957 -4.765 -9.093 213 HG22 VAL 31 1HG2 VAL 31 -22.055 -3.938 -7.822 214 HG23 VAL 31 2HG2 VAL 31 -22.553 -5.616 -7.601 215 H GLU 32 H GLU 32 -23.420 -6.969 -8.984 216 HA GLU 32 HA GLU 32 -24.429 -8.761 -8.017 217 HB2 GLU 32 2HB GLU 32 -22.907 -9.858 -10.073 218 HB3 GLU 32 1HB GLU 32 -22.483 -10.823 -8.666 219 HG2 GLU 32 2HG GLU 32 -24.352 -11.760 -9.961 220 HG3 GLU 32 1HG GLU 32 -24.783 -11.392 -8.291 221 H THR 33 H THR 33 -21.024 -9.779 -7.801 222 HA THR 33 HA THR 33 -21.025 -9.230 -4.939 223 HB THR 33 HB THR 33 -20.397 -11.452 -4.296 224 HG1 THR 33 1HG THR 33 -19.192 -12.070 -6.082 225 HG21 THR 33 3HG2 THR 33 -22.319 -12.777 -4.823 226 HG22 THR 33 1HG2 THR 33 -22.687 -11.763 -6.218 227 HG23 THR 33 2HG2 THR 33 -22.823 -11.103 -4.588 228 H ARG 34 H ARG 34 -19.145 -8.372 -4.347 229 HA ARG 34 HA ARG 34 -16.693 -9.149 -5.729 230 HB2 ARG 34 2HB ARG 34 -17.496 -7.177 -6.940 231 HB3 ARG 34 1HB ARG 34 -17.600 -6.279 -5.432 232 HG2 ARG 34 2HG ARG 34 -15.128 -6.624 -5.169 233 HG3 ARG 34 1HG ARG 34 -15.120 -7.268 -6.812 234 HD2 ARG 34 2HD ARG 34 -15.578 -5.228 -7.760 235 HD3 ARG 34 1HD ARG 34 -16.397 -4.624 -6.320 236 HE ARG 34 HE ARG 34 -14.389 -3.850 -5.540 237 HH11 ARG 34 1HH1 ARG 34 -13.801 -6.083 -8.155 238 HH12 ARG 34 2HH1 ARG 34 -12.107 -5.732 -8.241 239 HH21 ARG 34 1HH2 ARG 34 -12.162 -3.386 -5.650 240 HH22 ARG 34 2HH2 ARG 34 -11.176 -4.202 -6.819 241 HA PRO 35 HA PRO 35 -15.180 -9.077 -1.564 242 HB2 PRO 35 2HB PRO 35 -12.508 -8.970 -2.071 243 HB3 PRO 35 1HB PRO 35 -13.470 -10.439 -2.268 244 HG2 PRO 35 2HG PRO 35 -12.579 -8.467 -4.338 245 HG3 PRO 35 1HG PRO 35 -12.587 -10.240 -4.410 246 HD2 PRO 35 2HD PRO 35 -14.498 -8.744 -5.591 247 HD3 PRO 35 1HD PRO 35 -14.843 -10.337 -4.888 248 H GLU 36 H GLU 36 -14.357 -7.652 -0.030 249 HA GLU 36 HA GLU 36 -14.364 -4.875 -0.807 250 HB2 GLU 36 2HB GLU 36 -14.097 -4.456 1.627 251 HB3 GLU 36 1HB GLU 36 -15.473 -5.485 1.249 252 HG2 GLU 36 2HG GLU 36 -14.332 -7.426 1.989 253 HG3 GLU 36 1HG GLU 36 -12.801 -6.560 2.103 254 H LEU 37 H LEU 37 -12.616 -3.523 0.572 255 HA LEU 37 HA LEU 37 -10.021 -4.522 -0.370 256 HB2 LEU 37 2HB LEU 37 -10.893 -1.709 0.294 257 HB3 LEU 37 1HB LEU 37 -9.285 -2.164 -0.243 258 HG LEU 37 HG LEU 37 -10.813 -3.200 -2.246 259 HD11 LEU 37 1HD1 LEU 37 -12.238 -1.022 -2.748 260 HD12 LEU 37 2HD1 LEU 37 -12.309 -0.972 -0.987 261 HD13 LEU 37 3HD1 LEU 37 -12.900 -2.390 -1.854 262 HD21 LEU 37 3HD2 LEU 37 -8.806 -1.413 -2.024 263 HD22 LEU 37 1HD2 LEU 37 -10.109 -0.359 -2.573 264 HD23 LEU 37 2HD2 LEU 37 -9.647 -1.764 -3.533 265 H ILE 38 H ILE 38 -8.803 -5.417 1.123 266 HA ILE 38 HA ILE 38 -9.026 -4.512 3.899 267 HB ILE 38 HB ILE 38 -9.203 -7.022 3.083 268 HG12 ILE 38 2HG1 ILE 38 -8.809 -7.743 5.258 269 HG13 ILE 38 1HG1 ILE 38 -7.459 -6.646 5.495 270 HG21 ILE 38 1HG2 ILE 38 -7.066 -7.057 1.928 271 HG22 ILE 38 2HG2 ILE 38 -7.109 -8.238 3.235 272 HG23 ILE 38 3HG2 ILE 38 -6.230 -6.725 3.443 273 HD11 ILE 38 3HD1 ILE 38 -10.213 -5.554 5.157 274 HD12 ILE 38 1HD1 ILE 38 -8.830 -4.870 6.010 275 HD13 ILE 38 2HD1 ILE 38 -9.711 -6.231 6.707 276 H THR 39 H THR 39 -6.663 -5.044 5.007 277 HA THR 39 HA THR 39 -4.483 -3.990 3.384 278 HB THR 39 HB THR 39 -4.126 -2.270 5.358 279 HG1 THR 39 1HG THR 39 -5.925 -2.863 6.567 280 HG21 THR 39 3HG2 THR 39 -6.091 -1.831 3.127 281 HG22 THR 39 1HG2 THR 39 -4.363 -1.484 3.119 282 HG23 THR 39 2HG2 THR 39 -5.444 -0.551 4.152 283 H ARG 40 H ARG 40 -2.543 -4.569 4.102 284 HA ARG 40 HA ARG 40 -2.049 -5.452 6.794 285 HB2 ARG 40 2HB ARG 40 -3.080 -7.475 5.851 286 HB3 ARG 40 1HB ARG 40 -1.934 -7.447 4.518 287 HG2 ARG 40 2HG ARG 40 -1.135 -9.069 6.012 288 HG3 ARG 40 1HG ARG 40 -0.110 -7.654 6.260 289 HD2 ARG 40 2HD ARG 40 -1.544 -7.027 8.189 290 HD3 ARG 40 1HD ARG 40 -2.426 -8.538 7.975 291 HE ARG 40 HE ARG 40 0.410 -8.889 8.268 292 HH11 ARG 40 1HH1 ARG 40 -2.620 -8.548 9.965 293 HH12 ARG 40 2HH1 ARG 40 -2.056 -9.355 11.390 294 HH21 ARG 40 1HH2 ARG 40 1.153 -9.950 10.142 295 HH22 ARG 40 2HH2 ARG 40 0.087 -10.150 11.491 296 H THR 41 H THR 41 -0.305 -4.158 6.992 297 HA THR 41 HA THR 41 1.553 -3.832 4.809 298 HB THR 41 HB THR 41 1.031 -1.921 6.223 299 HG1 THR 41 1HG THR 41 3.241 -2.303 5.377 300 HG21 THR 41 3HG2 THR 41 0.750 -2.136 8.401 301 HG22 THR 41 1HG2 THR 41 2.490 -2.364 8.560 302 HG23 THR 41 2HG2 THR 41 1.430 -3.763 8.378 303 H GLU 42 H GLU 42 3.324 -4.823 4.449 304 HA GLU 42 HA GLU 42 4.236 -6.848 6.351 305 HB2 GLU 42 2HB GLU 42 5.439 -7.819 4.477 306 HB3 GLU 42 1HB GLU 42 3.762 -7.550 4.027 307 HG2 GLU 42 2HG GLU 42 4.310 -6.163 2.379 308 HG3 GLU 42 1HG GLU 42 5.477 -5.296 3.378 309 H GLU 43 H GLU 43 6.316 -6.907 7.100 310 HA GLU 43 HA GLU 43 7.624 -4.423 7.448 311 HB2 GLU 43 2HB GLU 43 8.629 -7.226 7.982 312 HB3 GLU 43 1HB GLU 43 9.398 -5.752 8.553 313 HG2 GLU 43 2HG GLU 43 7.191 -5.239 9.709 314 HG3 GLU 43 1HG GLU 43 6.760 -6.915 9.371 315 H ILE 44 H ILE 44 8.161 -3.560 5.460 316 HA ILE 44 HA ILE 44 9.838 -5.056 3.624 317 HB ILE 44 HB ILE 44 8.946 -2.176 3.445 318 HG12 ILE 44 2HG1 ILE 44 7.533 -3.678 1.570 319 HG13 ILE 44 1HG1 ILE 44 7.500 -4.669 3.026 320 HG21 ILE 44 1HG2 ILE 44 10.768 -2.451 1.999 321 HG22 ILE 44 2HG2 ILE 44 9.349 -2.646 0.968 322 HG23 ILE 44 3HG2 ILE 44 10.250 -4.063 1.509 323 HD11 ILE 44 3HD1 ILE 44 6.521 -1.838 2.722 324 HD12 ILE 44 1HD1 ILE 44 6.650 -2.680 4.263 325 HD13 ILE 44 2HD1 ILE 44 5.553 -3.296 3.023 326 HA PRO 45 HA PRO 45 13.402 -3.186 5.690 327 HB2 PRO 45 2HB PRO 45 15.198 -5.036 5.027 328 HB3 PRO 45 1HB PRO 45 13.938 -5.384 6.219 329 HG2 PRO 45 2HG PRO 45 14.102 -6.183 3.344 330 HG3 PRO 45 1HG PRO 45 13.529 -7.118 4.737 331 HD2 PRO 45 2HD PRO 45 11.904 -5.761 2.930 332 HD3 PRO 45 1HD PRO 45 11.420 -6.289 4.551 333 H PHE 46 H PHE 46 15.252 -2.079 4.999 334 HA PHE 46 HA PHE 46 15.247 -1.354 2.189 335 HB2 PHE 46 2HB PHE 46 16.714 0.452 2.822 336 HB3 PHE 46 1HB PHE 46 15.405 0.369 3.994 337 HD1 PHE 46 2HD PHE 46 18.976 -0.248 3.429 338 HD2 PHE 46 1HD PHE 46 15.817 -0.203 6.281 339 HE1 PHE 46 2HE PHE 46 20.624 -0.377 5.252 340 HE2 PHE 46 1HE PHE 46 17.460 -0.333 8.108 341 HZ PHE 46 HZ PHE 46 19.867 -0.421 7.595 342 H GLU 47 H GLU 47 17.756 -0.746 1.549 343 HA GLU 47 HA GLU 47 19.603 -2.854 2.193 344 HB2 GLU 47 2HB GLU 47 18.076 -3.927 0.533 345 HB3 GLU 47 1HB GLU 47 18.547 -2.699 -0.633 346 HG2 GLU 47 2HG GLU 47 20.970 -3.563 0.002 347 HG3 GLU 47 1HG GLU 47 20.063 -5.024 0.394 348 H VAL 48 H VAL 48 21.492 -1.856 2.311 349 HA VAL 48 HA VAL 48 21.973 0.707 1.211 350 HB VAL 48 HB VAL 48 23.096 -0.056 3.249 351 HG11 VAL 48 1HG1 VAL 48 23.444 -2.370 2.808 352 HG12 VAL 48 2HG1 VAL 48 25.033 -1.632 3.018 353 HG13 VAL 48 3HG1 VAL 48 24.445 -2.013 1.399 354 HG21 VAL 48 3HG2 VAL 48 25.276 0.835 2.791 355 HG22 VAL 48 1HG2 VAL 48 24.102 1.709 1.808 356 HG23 VAL 48 2HG2 VAL 48 25.117 0.468 1.073 357 H ILE 49 H ILE 49 23.502 1.325 -0.388 358 HA ILE 49 HA ILE 49 24.232 -0.785 -2.305 359 HB ILE 49 HB ILE 49 23.230 1.947 -3.105 360 HG12 ILE 49 2HG1 ILE 49 21.363 0.256 -4.066 361 HG13 ILE 49 1HG1 ILE 49 21.815 -0.613 -2.602 362 HG21 ILE 49 1HG2 ILE 49 23.004 0.613 -5.329 363 HG22 ILE 49 2HG2 ILE 49 24.191 -0.460 -4.589 364 HG23 ILE 49 3HG2 ILE 49 24.577 1.243 -4.840 365 HD11 ILE 49 3HD1 ILE 49 21.153 2.293 -2.473 366 HD12 ILE 49 1HD1 ILE 49 21.041 1.061 -1.218 367 HD13 ILE 49 2HD1 ILE 49 19.871 1.085 -2.537 368 H LYS 50 H LYS 50 26.040 -0.271 -3.680 369 HA LYS 50 HA LYS 50 27.753 1.889 -2.649 370 HB2 LYS 50 2HB LYS 50 28.762 -0.824 -3.501 371 HB3 LYS 50 1HB LYS 50 29.686 0.470 -2.751 372 HG2 LYS 50 2HG LYS 50 27.367 -0.518 -1.222 373 HG3 LYS 50 1HG LYS 50 28.718 -1.639 -1.410 374 HD2 LYS 50 2HD LYS 50 30.181 0.358 -0.677 375 HD3 LYS 50 1HD LYS 50 28.668 1.057 -0.098 376 HE2 LYS 50 2HE LYS 50 29.210 -1.743 0.676 377 HE3 LYS 50 1HE LYS 50 30.246 -0.516 1.402 378 HZ1 LYS 50 3HZ LYS 50 28.491 -0.658 2.872 379 HZ2 LYS 50 1HZ LYS 50 27.331 -0.860 1.657 380 HZ3 LYS 50 2HZ LYS 50 28.031 0.658 1.914 381 H LYS 51 H LYS 51 27.602 3.309 -4.303 382 HA LYS 51 HA LYS 51 27.998 2.323 -7.037 383 HB2 LYS 51 2HB LYS 51 27.189 5.113 -6.231 384 HB3 LYS 51 1HB LYS 51 27.027 4.357 -7.809 385 HG2 LYS 51 2HG LYS 51 25.590 3.276 -5.413 386 HG3 LYS 51 1HG LYS 51 24.932 4.612 -6.363 387 HD2 LYS 51 2HD LYS 51 25.853 2.209 -7.838 388 HD3 LYS 51 1HD LYS 51 24.366 2.064 -6.896 389 HE2 LYS 51 2HE LYS 51 23.413 3.966 -8.074 390 HE3 LYS 51 1HE LYS 51 24.912 4.177 -8.979 391 HZ1 LYS 51 3HZ LYS 51 24.569 1.953 -9.926 392 HZ2 LYS 51 1HZ LYS 51 23.309 3.013 -10.316 393 HZ3 LYS 51 2HZ LYS 51 23.087 1.838 -9.119 394 H GLU 52 H GLU 52 29.240 3.913 -8.477 395 HA GLU 52 HA GLU 52 31.706 4.679 -7.062 396 HB2 GLU 52 2HB GLU 52 31.386 4.047 -10.000 397 HB3 GLU 52 1HB GLU 52 32.894 4.308 -9.135 398 HG2 GLU 52 2HG GLU 52 31.225 2.171 -8.032 399 HG3 GLU 52 1HG GLU 52 31.793 1.884 -9.676 400 H ASN 53 H ASN 53 32.071 6.779 -6.858 401 HA ASN 53 HA ASN 53 30.845 8.618 -8.805 402 HB2 ASN 53 2HB ASN 53 31.121 10.321 -6.905 403 HB3 ASN 53 1HB ASN 53 29.862 9.102 -6.722 404 HD21 ASN 53 1HD2 ASN 53 32.984 10.187 -5.648 405 HD22 ASN 53 2HD2 ASN 53 33.051 9.219 -4.219 406 HA PRO 54 HA PRO 54 35.311 9.140 -9.601 407 HB2 PRO 54 2HB PRO 54 35.018 10.072 -12.126 408 HB3 PRO 54 1HB PRO 54 34.965 8.349 -11.735 409 HG2 PRO 54 2HG PRO 54 32.703 10.256 -12.203 410 HG3 PRO 54 1HG PRO 54 32.906 8.596 -12.791 411 HD2 PRO 54 2HD PRO 54 31.351 9.215 -10.657 412 HD3 PRO 54 1HD PRO 54 32.216 7.671 -10.797 413 H ASN 55 H ASN 55 34.404 10.933 -7.905 414 HA ASN 55 HA ASN 55 35.462 13.410 -8.893 415 HB2 ASN 55 2HB ASN 55 32.815 13.159 -9.365 416 HB3 ASN 55 1HB ASN 55 32.768 13.821 -7.734 417 HD21 ASN 55 1HD2 ASN 55 34.878 15.516 -7.711 418 HD22 ASN 55 2HD2 ASN 55 34.638 16.787 -8.858 419 H LEU 56 H LEU 56 35.904 11.404 -6.755 420 HA LEU 56 HA LEU 56 35.893 13.278 -4.488 421 HB2 LEU 56 2HB LEU 56 34.702 10.621 -4.666 422 HB3 LEU 56 1HB LEU 56 35.820 10.768 -3.323 423 HG LEU 56 HG LEU 56 34.564 12.644 -2.428 424 HD11 LEU 56 1HD1 LEU 56 32.202 12.857 -3.684 425 HD12 LEU 56 2HD1 LEU 56 33.247 12.509 -5.061 426 HD13 LEU 56 3HD1 LEU 56 33.584 13.896 -4.027 427 HD21 LEU 56 3HD2 LEU 56 33.058 11.321 -1.423 428 HD22 LEU 56 1HD2 LEU 56 33.786 10.036 -2.387 429 HD23 LEU 56 2HD2 LEU 56 32.317 10.836 -2.947 430 HA PRO 57 HA PRO 57 40.102 12.091 -3.870 431 HB2 PRO 57 2HB PRO 57 40.011 11.739 -1.031 432 HB3 PRO 57 1HB PRO 57 40.468 13.183 -1.931 433 HG2 PRO 57 2HG PRO 57 38.211 12.954 -0.353 434 HG3 PRO 57 1HG PRO 57 38.427 14.143 -1.647 435 HD2 PRO 57 2HD PRO 57 36.935 11.553 -1.679 436 HD3 PRO 57 1HD PRO 57 36.528 13.100 -2.450 437 H ALA 58 H ALA 58 38.244 9.748 -4.216 438 HA ALA 58 HA ALA 58 38.376 7.480 -4.225 439 HB1 ALA 58 1HB ALA 58 41.224 8.067 -3.436 440 HB2 ALA 58 2HB ALA 58 40.603 7.759 -5.057 441 HB3 ALA 58 3HB ALA 58 40.620 6.465 -3.860 442 H GLY 59 H GLY 59 37.757 5.890 -2.864 443 HA2 GLY 59 2HA GLY 59 37.184 4.847 -0.902 444 HA3 GLY 59 1HA GLY 59 38.703 5.457 -0.265 445 H GLN 60 H GLN 60 36.187 7.582 -1.433 446 HA GLN 60 HA GLN 60 35.773 8.492 1.335 447 HB2 GLN 60 2HB GLN 60 36.758 10.183 -0.134 448 HB3 GLN 60 1HB GLN 60 35.424 9.999 -1.263 449 HG2 GLN 60 2HG GLN 60 34.902 11.927 -0.080 450 HG3 GLN 60 1HG GLN 60 33.921 10.679 0.690 451 HE21 GLN 60 1HE2 GLN 60 33.791 12.014 2.543 452 HE22 GLN 60 2HE2 GLN 60 35.108 12.119 3.657 453 H GLU 61 H GLU 61 33.945 7.741 2.173 454 HA GLU 61 HA GLU 61 31.626 7.353 0.410 455 HB2 GLU 61 2HB GLU 61 30.745 6.024 2.405 456 HB3 GLU 61 1HB GLU 61 32.100 5.333 1.522 457 HG2 GLU 61 2HG GLU 61 33.548 5.608 3.245 458 HG3 GLU 61 1HG GLU 61 32.731 7.048 3.851 459 H ASN 62 H ASN 62 29.647 8.264 0.864 460 HA ASN 62 HA ASN 62 29.486 10.085 3.161 461 HB2 ASN 62 2HB ASN 62 28.319 11.736 1.625 462 HB3 ASN 62 1HB ASN 62 30.056 11.569 1.394 463 HD21 ASN 62 1HD2 ASN 62 27.165 11.753 -0.151 464 HD22 ASN 62 2HD2 ASN 62 27.594 11.022 -1.655 465 H ILE 63 H ILE 63 27.619 9.937 4.240 466 HA ILE 63 HA ILE 63 25.586 8.124 3.254 467 HB ILE 63 HB ILE 63 25.638 9.647 5.861 468 HG12 ILE 63 2HG1 ILE 63 27.620 8.177 5.562 469 HG13 ILE 63 1HG1 ILE 63 26.566 7.645 6.868 470 HG21 ILE 63 1HG2 ILE 63 24.091 7.192 5.041 471 HG22 ILE 63 2HG2 ILE 63 23.428 8.818 5.199 472 HG23 ILE 63 3HG2 ILE 63 24.043 7.976 6.621 473 HD11 ILE 63 3HD1 ILE 63 26.828 6.452 4.125 474 HD12 ILE 63 1HD1 ILE 63 25.565 6.004 5.273 475 HD13 ILE 63 2HD1 ILE 63 27.260 5.722 5.671 476 H ILE 64 H ILE 64 24.712 9.340 1.526 477 HA ILE 64 HA ILE 64 23.648 11.960 1.883 478 HB ILE 64 HB ILE 64 22.868 9.968 -0.248 479 HG12 ILE 64 2HG1 ILE 64 25.164 11.941 -0.225 480 HG13 ILE 64 1HG1 ILE 64 25.311 10.187 -0.164 481 HG21 ILE 64 1HG2 ILE 64 23.047 12.828 -0.871 482 HG22 ILE 64 2HG2 ILE 64 21.792 12.404 0.294 483 HG23 ILE 64 3HG2 ILE 64 21.810 11.645 -1.298 484 HD11 ILE 64 3HD1 ILE 64 23.796 11.270 -2.442 485 HD12 ILE 64 1HD1 ILE 64 24.965 9.953 -2.373 486 HD13 ILE 64 2HD1 ILE 64 25.523 11.625 -2.413 487 H THR 65 H THR 65 22.247 8.711 1.858 488 HA THR 65 HA THR 65 20.003 9.672 3.435 489 HB THR 65 HB THR 65 19.273 7.957 1.109 490 HG1 THR 65 1HG THR 65 20.456 9.637 0.149 491 HG21 THR 65 3HG2 THR 65 17.922 9.822 2.941 492 HG22 THR 65 1HG2 THR 65 17.345 8.330 2.200 493 HG23 THR 65 2HG2 THR 65 17.365 9.826 1.267 494 H ALA 66 H ALA 66 20.764 8.405 5.113 495 HA ALA 66 HA ALA 66 21.696 5.817 5.043 496 HB1 ALA 66 1HB ALA 66 20.562 5.722 7.415 497 HB2 ALA 66 2HB ALA 66 20.310 7.442 7.115 498 HB3 ALA 66 3HB ALA 66 21.943 6.774 7.106 499 H GLY 67 H GLY 67 20.730 3.776 5.534 500 HA2 GLY 67 2HA GLY 67 18.176 3.432 4.205 501 HA3 GLY 67 1HA GLY 67 19.241 2.153 4.768 502 H VAL 68 H VAL 68 16.261 3.156 5.144 503 HA VAL 68 HA VAL 68 16.149 2.288 7.940 504 HB VAL 68 HB VAL 68 14.529 4.625 6.923 505 HG11 VAL 68 1HG1 VAL 68 14.113 4.941 9.374 506 HG12 VAL 68 2HG1 VAL 68 14.874 3.372 9.640 507 HG13 VAL 68 3HG1 VAL 68 13.397 3.486 8.682 508 HG21 VAL 68 3HG2 VAL 68 16.015 5.912 8.569 509 HG22 VAL 68 1HG2 VAL 68 16.704 5.483 7.003 510 HG23 VAL 68 2HG2 VAL 68 17.119 4.543 8.436 511 H LYS 69 H LYS 69 14.692 0.737 8.230 512 HA LYS 69 HA LYS 69 13.201 -0.376 6.158 513 HB2 LYS 69 2HB LYS 69 12.645 -0.618 9.119 514 HB3 LYS 69 1HB LYS 69 12.114 -1.729 7.864 515 HG2 LYS 69 2HG LYS 69 14.152 -2.706 7.668 516 HG3 LYS 69 1HG LYS 69 15.024 -1.231 8.090 517 HD2 LYS 69 2HD LYS 69 13.370 -2.669 10.132 518 HD3 LYS 69 1HD LYS 69 15.012 -3.202 9.765 519 HE2 LYS 69 2HE LYS 69 15.949 -1.178 10.492 520 HE3 LYS 69 1HE LYS 69 14.396 -0.345 10.447 521 HZ1 LYS 69 3HZ LYS 69 14.576 -2.628 12.237 522 HZ2 LYS 69 1HZ LYS 69 13.813 -1.134 12.460 523 HZ3 LYS 69 2HZ LYS 69 15.486 -1.273 12.678 524 H GLY 70 H GLY 70 11.304 0.097 5.260 525 HA2 GLY 70 2HA GLY 70 9.690 2.221 6.494 526 HA3 GLY 70 1HA GLY 70 9.658 1.772 4.795 527 H GLU 71 H GLU 71 7.464 1.370 4.607 528 HA GLU 71 HA GLU 71 6.575 -1.166 5.479 529 HB2 GLU 71 2HB GLU 71 6.188 0.844 7.355 530 HB3 GLU 71 1HB GLU 71 4.648 0.771 6.511 531 HG2 GLU 71 2HG GLU 71 4.151 -0.852 7.950 532 HG3 GLU 71 1HG GLU 71 5.179 -1.867 6.938 533 H ARG 72 H ARG 72 4.816 -1.806 4.314 534 HA ARG 72 HA ARG 72 3.552 0.154 2.564 535 HB2 ARG 72 2HB ARG 72 5.406 -1.064 1.318 536 HB3 ARG 72 1HB ARG 72 4.466 -2.537 1.534 537 HG2 ARG 72 2HG ARG 72 2.723 -1.738 0.176 538 HG3 ARG 72 1HG ARG 72 3.355 -0.095 0.213 539 HD2 ARG 72 2HD ARG 72 5.089 -0.585 -1.247 540 HD3 ARG 72 1HD ARG 72 5.006 -2.313 -0.915 541 HE ARG 72 HE ARG 72 2.603 -1.685 -2.082 542 HH11 ARG 72 1HH1 ARG 72 5.964 -1.412 -2.981 543 HH12 ARG 72 2HH1 ARG 72 5.654 -1.580 -4.676 544 HH21 ARG 72 1HH2 ARG 72 2.193 -1.907 -4.311 545 HH22 ARG 72 2HH2 ARG 72 3.512 -1.860 -5.432 546 H THR 73 H THR 73 1.531 0.079 3.124 547 HA THR 73 HA THR 73 0.414 -2.249 4.374 548 HB THR 73 HB THR 73 -1.032 0.179 3.301 549 HG1 THR 73 1HG THR 73 -0.856 0.989 5.360 550 HG21 THR 73 3HG2 THR 73 -2.132 -1.199 5.608 551 HG22 THR 73 1HG2 THR 73 -2.114 -2.170 4.132 552 HG23 THR 73 2HG2 THR 73 -2.926 -0.600 4.149 553 H HIS 74 H HIS 74 -0.487 -3.928 3.414 554 HA HIS 74 HA HIS 74 -0.913 -3.703 0.543 555 HB2 HIS 74 2HB HIS 74 0.213 -5.793 2.273 556 HB3 HIS 74 1HB HIS 74 -0.738 -6.353 0.880 557 HD1 HIS 74 1HD HIS 74 2.038 -4.005 1.742 558 HD2 HIS 74 2HD HIS 74 0.574 -6.134 -1.499 559 HE1 HIS 74 1HE HIS 74 3.670 -3.575 -0.140 560 HE2 HIS 74 2HE HIS 74 2.561 -4.617 -2.151 561 H TYR 75 H TYR 75 -2.746 -3.671 -0.254 562 HA TYR 75 HA TYR 75 -5.060 -4.366 1.327 563 HB2 TYR 75 2HB TYR 75 -5.409 -3.294 -1.413 564 HB3 TYR 75 1HB TYR 75 -6.205 -2.831 0.086 565 HD1 TYR 75 1HD TYR 75 -3.487 -2.339 1.585 566 HD2 TYR 75 2HD TYR 75 -5.031 -1.006 -2.152 567 HE1 TYR 75 1HE TYR 75 -2.035 -0.366 1.696 568 HE2 TYR 75 2HE TYR 75 -3.606 0.996 -2.017 569 HH TYR 75 HH TYR 75 -2.394 2.226 0.446 570 H ILE 76 H ILE 76 -5.384 -6.479 1.329 571 HA ILE 76 HA ILE 76 -5.189 -8.056 -1.097 572 HB ILE 76 HB ILE 76 -5.929 -8.828 1.732 573 HG12 ILE 76 2HG1 ILE 76 -3.662 -9.949 1.632 574 HG13 ILE 76 1HG1 ILE 76 -3.374 -9.068 0.137 575 HG21 ILE 76 1HG2 ILE 76 -6.961 -10.397 0.256 576 HG22 ILE 76 2HG2 ILE 76 -5.518 -11.162 0.924 577 HG23 ILE 76 3HG2 ILE 76 -5.498 -10.526 -0.720 578 HD11 ILE 76 3HD1 ILE 76 -3.123 -7.076 1.204 579 HD12 ILE 76 1HD1 ILE 76 -2.548 -8.169 2.463 580 HD13 ILE 76 2HD1 ILE 76 -4.189 -7.527 2.535 581 H SER 77 H SER 77 -6.968 -9.474 -1.767 582 HA SER 77 HA SER 77 -9.570 -8.150 -1.396 583 HB2 SER 77 2HB SER 77 -10.197 -9.166 -3.568 584 HB3 SER 77 1HB SER 77 -8.789 -8.113 -3.709 585 HG SER 77 HG SER 77 -9.013 -10.782 -4.187 586 H VAL 78 H VAL 78 -10.652 -9.182 0.166 587 HA VAL 78 HA VAL 78 -10.400 -12.028 0.565 588 HB VAL 78 HB VAL 78 -12.174 -11.642 2.328 589 HG11 VAL 78 1HG1 VAL 78 -10.631 -10.789 3.894 590 HG12 VAL 78 2HG1 VAL 78 -9.786 -9.847 2.665 591 HG13 VAL 78 3HG1 VAL 78 -9.663 -11.607 2.668 592 HG21 VAL 78 3HG2 VAL 78 -12.656 -9.321 0.973 593 HG22 VAL 78 1HG2 VAL 78 -11.682 -8.755 2.331 594 HG23 VAL 78 2HG2 VAL 78 -13.170 -9.654 2.626 595 H LEU 79 H LEU 79 -11.283 -13.157 -1.103 596 HA LEU 79 HA LEU 79 -14.085 -12.588 -1.800 597 HB2 LEU 79 2HB LEU 79 -12.419 -12.519 -3.644 598 HB3 LEU 79 1HB LEU 79 -12.053 -14.207 -3.337 599 HG LEU 79 HG LEU 79 -14.888 -13.510 -3.889 600 HD11 LEU 79 1HD1 LEU 79 -14.087 -13.947 -6.394 601 HD12 LEU 79 2HD1 LEU 79 -12.657 -13.109 -5.789 602 HD13 LEU 79 3HD1 LEU 79 -14.238 -12.329 -5.709 603 HD21 LEU 79 3HD2 LEU 79 -13.481 -15.732 -5.218 604 HD22 LEU 79 1HD2 LEU 79 -15.060 -15.692 -4.436 605 HD23 LEU 79 2HD2 LEU 79 -13.597 -15.830 -3.461 606 H THR 80 H THR 80 -15.529 -13.862 -0.867 607 HA THR 80 HA THR 80 -14.759 -16.388 0.299 608 HB THR 80 HB THR 80 -16.324 -14.882 1.459 609 HG1 THR 80 1HG THR 80 -17.590 -17.290 0.667 610 HG21 THR 80 3HG2 THR 80 -18.403 -14.283 0.722 611 HG22 THR 80 1HG2 THR 80 -18.510 -15.628 -0.413 612 HG23 THR 80 2HG2 THR 80 -17.488 -14.239 -0.785 613 H GLU 81 H GLU 81 -14.593 -18.142 -0.925 614 HA GLU 81 HA GLU 81 -16.548 -18.529 -3.096 615 HB2 GLU 81 2HB GLU 81 -13.986 -18.275 -3.582 616 HB3 GLU 81 1HB GLU 81 -13.910 -19.944 -3.034 617 HG2 GLU 81 2HG GLU 81 -14.185 -20.289 -5.258 618 HG3 GLU 81 1HG GLU 81 -15.876 -20.242 -4.762 619 H ASN 82 H ASN 82 -18.037 -19.970 -2.549 620 HA ASN 82 HA ASN 82 -19.053 -21.830 -1.724 621 HB2 ASN 82 2HB ASN 82 -16.293 -22.759 -2.340 622 HB3 ASN 82 1HB ASN 82 -17.302 -23.817 -1.358 623 HD21 ASN 82 1HD2 ASN 82 -16.560 -22.756 -4.472 624 HD22 ASN 82 2HD2 ASN 82 -17.834 -23.559 -5.318 625 H GLY 83 H GLY 83 -18.038 -19.822 0.112 626 HA2 GLY 83 2HA GLY 83 -18.181 -19.588 2.412 627 HA3 GLY 83 1HA GLY 83 -18.343 -21.332 2.546 628 H LYS 84 H LYS 84 -15.751 -19.386 1.097 629 HA LYS 84 HA LYS 84 -13.947 -19.998 3.271 630 HB2 LYS 84 2HB LYS 84 -14.093 -21.899 1.344 631 HB3 LYS 84 1HB LYS 84 -12.852 -20.857 0.663 632 HG2 LYS 84 2HG LYS 84 -11.468 -22.125 1.886 633 HG3 LYS 84 1HG LYS 84 -11.972 -21.067 3.207 634 HD2 LYS 84 2HD LYS 84 -13.645 -23.452 2.615 635 HD3 LYS 84 1HD LYS 84 -12.085 -23.710 3.402 636 HE2 LYS 84 2HE LYS 84 -13.741 -21.543 4.519 637 HE3 LYS 84 1HE LYS 84 -14.380 -23.174 4.723 638 HZ1 LYS 84 3HZ LYS 84 -12.704 -22.109 6.435 639 HZ2 LYS 84 1HZ LYS 84 -11.562 -22.739 5.357 640 HZ3 LYS 84 2HZ LYS 84 -12.688 -23.765 6.091 641 H THR 85 H THR 85 -12.828 -18.203 3.599 642 HA THR 85 HA THR 85 -12.570 -16.242 1.469 643 HB THR 85 HB THR 85 -11.386 -15.814 4.172 644 HG1 THR 85 1HG THR 85 -13.445 -15.320 4.991 645 HG21 THR 85 3HG2 THR 85 -12.565 -14.167 2.033 646 HG22 THR 85 1HG2 THR 85 -11.223 -13.829 3.129 647 HG23 THR 85 2HG2 THR 85 -12.886 -13.659 3.692 648 H THR 86 H THR 86 -10.829 -16.066 0.233 649 HA THR 86 HA THR 86 -8.324 -17.311 1.154 650 HB THR 86 HB THR 86 -8.718 -16.618 -1.713 651 HG1 THR 86 1HG THR 86 -10.587 -17.636 -1.588 652 HG21 THR 86 3HG2 THR 86 -7.870 -19.239 -1.468 653 HG22 THR 86 1HG2 THR 86 -7.053 -18.386 -0.159 654 HG23 THR 86 2HG2 THR 86 -6.870 -17.830 -1.822 655 H GLU 87 H GLU 87 -6.349 -16.233 0.802 656 HA GLU 87 HA GLU 87 -6.626 -13.321 0.714 657 HB2 GLU 87 2HB GLU 87 -4.581 -15.201 1.826 658 HB3 GLU 87 1HB GLU 87 -4.102 -13.558 1.422 659 HG2 GLU 87 2HG GLU 87 -4.678 -13.236 3.585 660 HG3 GLU 87 1HG GLU 87 -6.258 -12.977 2.845 661 H THR 88 H THR 88 -6.342 -12.381 -1.189 662 HA THR 88 HA THR 88 -4.152 -13.322 -2.909 663 HB THR 88 HB THR 88 -6.940 -12.590 -3.830 664 HG1 THR 88 1HG THR 88 -7.230 -14.673 -4.115 665 HG21 THR 88 3HG2 THR 88 -4.410 -12.975 -5.331 666 HG22 THR 88 1HG2 THR 88 -5.760 -11.883 -5.641 667 HG23 THR 88 2HG2 THR 88 -5.908 -13.600 -6.022 668 H VAL 89 H VAL 89 -2.752 -11.724 -3.191 669 HA VAL 89 HA VAL 89 -3.095 -9.088 -2.404 670 HB VAL 89 HB VAL 89 -0.891 -10.090 -2.812 671 HG11 VAL 89 1HG1 VAL 89 -1.480 -9.757 -5.750 672 HG12 VAL 89 2HG1 VAL 89 -1.539 -11.298 -4.892 673 HG13 VAL 89 3HG1 VAL 89 -0.016 -10.416 -5.019 674 HG21 VAL 89 3HG2 VAL 89 -1.151 -7.644 -2.752 675 HG22 VAL 89 1HG2 VAL 89 -1.358 -7.637 -4.504 676 HG23 VAL 89 2HG2 VAL 89 0.175 -8.148 -3.800 677 H LEU 90 H LEU 90 -4.169 -7.415 -3.227 678 HA LEU 90 HA LEU 90 -5.120 -7.608 -6.003 679 HB2 LEU 90 2HB LEU 90 -6.524 -7.157 -3.664 680 HB3 LEU 90 1HB LEU 90 -6.358 -5.550 -4.347 681 HG LEU 90 HG LEU 90 -8.460 -6.645 -5.015 682 HD11 LEU 90 1HD1 LEU 90 -7.750 -4.998 -6.513 683 HD12 LEU 90 2HD1 LEU 90 -8.088 -6.398 -7.531 684 HD13 LEU 90 3HD1 LEU 90 -6.422 -5.989 -7.117 685 HD21 LEU 90 3HD2 LEU 90 -8.596 -8.688 -5.948 686 HD22 LEU 90 1HD2 LEU 90 -7.028 -8.932 -5.177 687 HD23 LEU 90 2HD2 LEU 90 -7.114 -8.479 -6.880 688 H ASP 91 H ASP 91 -4.037 -5.165 -3.632 689 HA ASP 91 HA ASP 91 -2.209 -3.949 -5.393 690 HB2 ASP 91 2HB ASP 91 -4.701 -3.319 -6.202 691 HB3 ASP 91 1HB ASP 91 -4.451 -2.044 -5.010 692 H SER 92 H SER 92 -0.923 -2.492 -4.340 693 HA SER 92 HA SER 92 -1.827 -1.363 -1.804 694 HB2 SER 92 2HB SER 92 -0.227 -2.250 -0.455 695 HB3 SER 92 1HB SER 92 -0.535 -3.626 -1.521 696 HG SER 92 HG SER 92 1.313 -3.113 -2.676 697 H GLN 93 H GLN 93 -0.675 0.402 -1.106 698 HA GLN 93 HA GLN 93 1.055 1.663 -3.117 699 HB2 GLN 93 2HB GLN 93 -1.088 2.727 -1.340 700 HB3 GLN 93 1HB GLN 93 0.313 3.754 -1.598 701 HG2 GLN 93 2HG GLN 93 -1.565 2.662 -3.675 702 HG3 GLN 93 1HG GLN 93 -1.376 4.342 -3.175 703 HE21 GLN 93 1HE2 GLN 93 -0.472 2.010 -5.388 704 HE22 GLN 93 2HE2 GLN 93 0.867 2.832 -6.108 705 H VAL 94 H VAL 94 2.721 3.188 -2.014 706 HA VAL 94 HA VAL 94 3.974 1.597 0.056 707 HB VAL 94 HB VAL 94 5.808 3.337 -0.128 708 HG11 VAL 94 1HG1 VAL 94 6.332 2.572 -2.580 709 HG12 VAL 94 2HG1 VAL 94 4.928 1.535 -2.332 710 HG13 VAL 94 3HG1 VAL 94 6.321 1.405 -1.258 711 HG21 VAL 94 3HG2 VAL 94 4.843 4.234 -2.738 712 HG22 VAL 94 1HG2 VAL 94 5.626 5.142 -1.444 713 HG23 VAL 94 2HG2 VAL 94 3.890 4.834 -1.380 714 H THR 95 H THR 95 3.197 1.843 2.025 715 HA THR 95 HA THR 95 2.630 4.564 2.977 716 HB THR 95 HB THR 95 1.056 3.632 4.504 717 HG1 THR 95 1HG THR 95 1.892 1.832 5.314 718 HG21 THR 95 3HG2 THR 95 -0.407 3.460 2.850 719 HG22 THR 95 1HG2 THR 95 0.004 1.742 2.744 720 HG23 THR 95 2HG2 THR 95 0.837 2.919 1.723 721 H LYS 96 H LYS 96 4.815 4.898 3.381 722 HA LYS 96 HA LYS 96 5.923 5.325 5.576 723 HB2 LYS 96 2HB LYS 96 5.227 3.312 6.699 724 HB3 LYS 96 1HB LYS 96 6.034 2.311 5.506 725 HG2 LYS 96 2HG LYS 96 7.441 2.284 7.376 726 HG3 LYS 96 1HG LYS 96 8.193 3.430 6.267 727 HD2 LYS 96 2HD LYS 96 7.256 5.290 7.495 728 HD3 LYS 96 1HD LYS 96 6.376 4.184 8.553 729 HE2 LYS 96 2HE LYS 96 8.266 4.829 9.787 730 HE3 LYS 96 1HE LYS 96 8.649 3.221 9.171 731 HZ1 LYS 96 3HZ LYS 96 10.503 4.770 8.925 732 HZ2 LYS 96 1HZ LYS 96 9.551 5.777 7.955 733 HZ3 LYS 96 2HZ LYS 96 9.955 4.225 7.420 734 H GLU 97 H GLU 97 6.435 3.442 2.730 735 HA GLU 97 HA GLU 97 8.222 3.095 1.359 736 HB2 GLU 97 2HB GLU 97 9.462 5.213 0.821 737 HB3 GLU 97 1HB GLU 97 7.711 5.315 0.701 738 HG2 GLU 97 2HG GLU 97 7.579 6.476 2.797 739 HG3 GLU 97 1HG GLU 97 9.306 6.252 3.073 740 H VAL 98 H VAL 98 9.814 1.764 1.847 741 HA VAL 98 HA VAL 98 11.477 2.069 4.148 742 HB VAL 98 HB VAL 98 10.945 -0.153 3.266 743 HG11 VAL 98 1HG1 VAL 98 12.808 -0.196 1.061 744 HG12 VAL 98 2HG1 VAL 98 11.524 0.982 0.788 745 HG13 VAL 98 3HG1 VAL 98 11.120 -0.702 1.118 746 HG21 VAL 98 3HG2 VAL 98 13.316 0.646 4.287 747 HG22 VAL 98 1HG2 VAL 98 13.842 -0.107 2.783 748 HG23 VAL 98 2HG2 VAL 98 12.898 -1.034 3.948 749 H ILE 99 H ILE 99 13.082 3.478 4.311 750 HA ILE 99 HA ILE 99 14.232 4.773 2.036 751 HB ILE 99 HB ILE 99 15.257 4.838 4.873 752 HG12 ILE 99 2HG1 ILE 99 12.884 5.419 4.857 753 HG13 ILE 99 1HG1 ILE 99 13.861 6.855 5.153 754 HG21 ILE 99 1HG2 ILE 99 16.489 6.684 4.290 755 HG22 ILE 99 2HG2 ILE 99 15.427 7.102 2.945 756 HG23 ILE 99 3HG2 ILE 99 16.557 5.758 2.790 757 HD11 ILE 99 3HD1 ILE 99 12.784 7.854 3.505 758 HD12 ILE 99 1HD1 ILE 99 11.938 6.360 3.099 759 HD13 ILE 99 2HD1 ILE 99 13.509 6.708 2.377 760 H ASN 100 H ASN 100 15.984 4.240 0.901 761 HA ASN 100 HA ASN 100 17.512 1.892 1.731 762 HB2 ASN 100 2HB ASN 100 17.158 3.336 -0.881 763 HB3 ASN 100 1HB ASN 100 18.493 2.211 -0.651 764 HD21 ASN 100 1HD2 ASN 100 17.604 0.900 -2.289 765 HD22 ASN 100 2HD2 ASN 100 16.254 -0.131 -1.970 766 H GLN 101 H GLN 101 19.672 1.904 2.153 767 HA GLN 101 HA GLN 101 20.855 4.427 2.852 768 HB2 GLN 101 2HB GLN 101 21.114 2.097 4.005 769 HB3 GLN 101 1HB GLN 101 22.372 1.843 2.804 770 HG2 GLN 101 2HG GLN 101 22.698 4.406 4.047 771 HG3 GLN 101 1HG GLN 101 22.590 3.141 5.270 772 HE21 GLN 101 1HE2 GLN 101 24.350 4.283 2.475 773 HE22 GLN 101 2HE2 GLN 101 25.791 3.376 2.771 774 H VAL 102 H VAL 102 21.387 5.660 1.123 775 HA VAL 102 HA VAL 102 22.927 4.442 -1.054 776 HB VAL 102 HB VAL 102 22.573 6.704 -2.164 777 HG11 VAL 102 1HG1 VAL 102 19.962 6.112 -2.347 778 HG12 VAL 102 2HG1 VAL 102 20.556 4.616 -1.627 779 HG13 VAL 102 3HG1 VAL 102 21.226 5.185 -3.155 780 HG21 VAL 102 3HG2 VAL 102 21.348 8.331 -1.209 781 HG22 VAL 102 1HG2 VAL 102 21.771 7.518 0.297 782 HG23 VAL 102 2HG2 VAL 102 20.218 7.193 -0.477 783 H VAL 103 H VAL 103 25.052 4.445 -0.699 784 HA VAL 103 HA VAL 103 26.281 6.910 0.350 785 HB VAL 103 HB VAL 103 26.429 5.102 2.004 786 HG11 VAL 103 1HG1 VAL 103 28.146 3.595 0.050 787 HG12 VAL 103 2HG1 VAL 103 26.423 3.274 0.250 788 HG13 VAL 103 3HG1 VAL 103 27.525 3.051 1.608 789 HG21 VAL 103 3HG2 VAL 103 28.203 6.702 2.025 790 HG22 VAL 103 1HG2 VAL 103 29.022 5.894 0.688 791 HG23 VAL 103 2HG2 VAL 103 28.919 5.108 2.263 792 H GLU 104 H GLU 104 27.484 7.891 -1.122 793 HA GLU 104 HA GLU 104 28.411 6.447 -3.462 794 HB2 GLU 104 2HB GLU 104 28.850 9.363 -2.820 795 HB3 GLU 104 1HB GLU 104 28.921 8.586 -4.397 796 HG2 GLU 104 2HG GLU 104 26.351 8.235 -3.083 797 HG3 GLU 104 1HG GLU 104 26.770 9.928 -3.338 798 H VAL 105 H VAL 105 30.351 5.549 -3.587 799 HA VAL 105 HA VAL 105 32.466 6.500 -1.772 800 HB VAL 105 HB VAL 105 32.339 3.817 -3.146 801 HG11 VAL 105 1HG1 VAL 105 33.881 4.225 -0.669 802 HG12 VAL 105 2HG1 VAL 105 34.501 5.038 -2.105 803 HG13 VAL 105 3HG1 VAL 105 34.274 3.290 -2.111 804 HG21 VAL 105 3HG2 VAL 105 31.265 4.731 -0.510 805 HG22 VAL 105 1HG2 VAL 105 31.843 3.076 -0.706 806 HG23 VAL 105 2HG2 VAL 105 30.526 3.676 -1.715 807 H GLY 106 H GLY 106 34.245 7.396 -2.606 808 HA2 GLY 106 2HA GLY 106 34.471 8.052 -5.319 809 HA3 GLY 106 1HA GLY 106 35.769 8.163 -4.139 810 H ALA 107 H ALA 107 35.259 7.048 -7.046 811 HA ALA 107 HA ALA 107 37.071 4.774 -6.677 812 HB1 ALA 107 1HB ALA 107 35.604 3.815 -8.711 813 HB2 ALA 107 2HB ALA 107 34.356 4.694 -7.829 814 HB3 ALA 107 3HB ALA 107 35.287 3.433 -7.019 815 HA PRO 108 HA PRO 108 38.720 7.573 -9.924 816 HB2 PRO 108 2HB PRO 108 41.324 6.928 -9.470 817 HB3 PRO 108 1HB PRO 108 40.456 8.154 -8.539 818 HG2 PRO 108 2HG PRO 108 41.033 5.301 -7.841 819 HG3 PRO 108 1HG PRO 108 41.139 6.746 -6.820 820 HD2 PRO 108 2HD PRO 108 39.038 5.051 -6.710 821 HD3 PRO 108 1HD PRO 108 38.864 6.795 -6.431 822 H VAL 109 H VAL 109 40.832 6.861 -11.406 823 HA VAL 109 HA VAL 109 39.838 4.940 -13.170 824 HB VAL 109 HB VAL 109 42.740 5.735 -12.926 825 HG11 VAL 109 1HG1 VAL 109 42.501 5.450 -15.486 826 HG12 VAL 109 2HG1 VAL 109 41.061 4.516 -15.083 827 HG13 VAL 109 3HG1 VAL 109 42.638 4.011 -14.475 828 HG21 VAL 109 3HG2 VAL 109 41.873 7.378 -14.820 829 HG22 VAL 109 1HG2 VAL 109 41.840 7.821 -13.114 830 HG23 VAL 109 2HG2 VAL 109 40.374 7.239 -13.903 831 H THR 110 H THR 110 40.004 2.786 -13.308 832 HA THR 110 HA THR 110 42.099 1.358 -11.897 833 HB THR 110 HB THR 110 39.401 0.267 -11.360 834 HG1 THR 110 1HG THR 110 40.379 2.554 -9.997 835 HG21 THR 110 3HG2 THR 110 40.809 0.448 -8.998 836 HG22 THR 110 1HG2 THR 110 42.052 0.134 -10.208 837 HG23 THR 110 2HG2 THR 110 40.683 -0.967 -10.042 838 H HIS 111 H HIS 111 41.296 -1.191 -12.125 839 HA HIS 111 HA HIS 111 41.142 -2.932 -13.580 840 HB2 HIS 111 2HB HIS 111 39.161 -0.980 -14.660 841 HB3 HIS 111 1HB HIS 111 39.585 -2.367 -15.657 842 HD1 HIS 111 1HD HIS 111 37.609 -1.375 -12.707 843 HD2 HIS 111 2HD HIS 111 38.877 -4.898 -14.509 844 HE1 HIS 111 1HE HIS 111 36.207 -3.193 -11.685 845 HE2 HIS 111 2HE HIS 111 36.931 -5.305 -12.854 Start of MODEL 10 1 H1 MET 1 1HT MET 1 16.262 2.873 -22.735 2 H2 MET 1 2HT MET 1 14.987 3.502 -21.774 3 H3 MET 1 3HT MET 1 15.937 2.195 -21.195 4 HA MET 1 HA MET 1 16.636 4.111 -20.095 5 HB2 MET 1 2HB MET 1 18.256 2.404 -21.318 6 HB3 MET 1 1HB MET 1 18.705 3.836 -22.233 7 HG2 MET 1 2HG MET 1 20.251 3.816 -20.525 8 HG3 MET 1 1HG MET 1 19.028 4.938 -19.928 9 HE1 MET 1 2HE MET 1 19.882 0.677 -18.782 10 HE2 MET 1 3HE MET 1 21.121 1.827 -18.282 11 HE3 MET 1 1HE MET 1 20.654 1.716 -19.979 12 H GLY 2 H GLY 2 17.222 6.291 -20.061 13 HA2 GLY 2 2HA GLY 2 17.788 8.347 -21.188 14 HA3 GLY 2 1HA GLY 2 16.916 7.762 -22.596 15 H SER 3 H SER 3 16.088 10.075 -22.243 16 HA SER 3 HA SER 3 13.557 9.861 -20.782 17 HB2 SER 3 2HB SER 3 14.006 12.420 -20.256 18 HB3 SER 3 1HB SER 3 14.619 11.154 -19.193 19 HG SER 3 HG SER 3 16.627 11.409 -20.034 20 H SER 4 H SER 4 13.644 9.444 -23.415 21 HA SER 4 HA SER 4 12.742 10.085 -25.401 22 HB2 SER 4 2HB SER 4 11.578 12.553 -24.173 23 HB3 SER 4 1HB SER 4 10.862 11.433 -25.332 24 HG SER 4 HG SER 4 10.356 11.470 -22.830 25 H HIS 5 H HIS 5 15.381 10.986 -24.713 26 HA HIS 5 HA HIS 5 17.023 12.341 -25.508 27 HB2 HIS 5 2HB HIS 5 14.950 13.177 -27.546 28 HB3 HIS 5 1HB HIS 5 16.693 13.378 -27.688 29 HD1 HIS 5 1HD HIS 5 16.439 10.186 -26.282 30 HD2 HIS 5 2HD HIS 5 15.642 11.698 -30.069 31 HE1 HIS 5 1HE HIS 5 16.498 8.201 -27.825 32 HE2 HIS 5 2HE HIS 5 15.926 9.128 -30.096 33 H HIS 6 H HIS 6 15.913 13.353 -23.320 34 HA HIS 6 HA HIS 6 15.657 15.254 -22.100 35 HB2 HIS 6 2HB HIS 6 17.175 16.164 -24.488 36 HB3 HIS 6 1HB HIS 6 16.457 17.409 -23.472 37 HD1 HIS 6 1HD HIS 6 16.975 16.395 -20.694 38 HD2 HIS 6 2HD HIS 6 19.773 16.085 -23.749 39 HE1 HIS 6 1HE HIS 6 19.201 16.176 -19.546 40 HE2 HIS 6 2HE HIS 6 20.887 16.079 -21.416 41 H HIS 7 H HIS 7 13.367 15.013 -22.162 42 HA HIS 7 HA HIS 7 11.845 16.389 -24.189 43 HB2 HIS 7 2HB HIS 7 9.885 15.658 -22.911 44 HB3 HIS 7 1HB HIS 7 10.993 14.318 -23.185 45 HD1 HIS 7 1HD HIS 7 12.599 16.057 -20.618 46 HD2 HIS 7 2HD HIS 7 9.177 13.704 -20.745 47 HE1 HIS 7 1HE HIS 7 12.208 15.312 -18.248 48 HE2 HIS 7 2HE HIS 7 10.082 13.960 -18.336 49 H HIS 8 H HIS 8 10.010 17.868 -23.369 50 HA HIS 8 HA HIS 8 11.082 19.734 -21.360 51 HB2 HIS 8 2HB HIS 8 11.250 20.453 -23.837 52 HB3 HIS 8 1HB HIS 8 9.504 20.658 -23.749 53 HD1 HIS 8 1HD HIS 8 9.840 23.222 -24.145 54 HD2 HIS 8 2HD HIS 8 11.517 21.768 -20.633 55 HE1 HIS 8 1HE HIS 8 10.362 25.253 -22.757 56 HE2 HIS 8 2HE HIS 8 11.456 24.352 -20.675 57 H HIS 9 H HIS 9 9.135 17.593 -21.050 58 HA HIS 9 HA HIS 9 7.207 18.936 -19.518 59 HB2 HIS 9 2HB HIS 9 6.532 19.161 -22.132 60 HB3 HIS 9 1HB HIS 9 5.736 17.641 -21.735 61 HD1 HIS 9 1HD HIS 9 6.028 20.863 -19.724 62 HD2 HIS 9 2HD HIS 9 3.154 18.300 -21.286 63 HE1 HIS 9 1HE HIS 9 3.819 21.767 -18.931 64 HE2 HIS 9 2HE HIS 9 2.101 20.151 -19.817 65 H SER 10 H SER 10 5.133 17.192 -19.413 66 HA SER 10 HA SER 10 6.373 14.555 -19.010 67 HB2 SER 10 2HB SER 10 6.004 16.020 -16.886 68 HB3 SER 10 1HB SER 10 4.305 15.601 -17.099 69 HG SER 10 HG SER 10 6.222 14.142 -15.997 70 H SER 11 H SER 11 5.429 13.595 -20.767 71 HA SER 11 HA SER 11 2.812 12.611 -20.500 72 HB2 SER 11 2HB SER 11 2.056 13.801 -22.752 73 HB3 SER 11 1HB SER 11 1.773 14.549 -21.181 74 HG SER 11 HG SER 11 3.868 15.099 -23.009 75 H GLY 12 H GLY 12 2.111 11.377 -22.471 76 HA2 GLY 12 2HA GLY 12 2.625 10.264 -24.496 77 HA3 GLY 12 1HA GLY 12 4.305 10.743 -24.305 78 H LEU 13 H LEU 13 5.470 9.710 -22.442 79 HA LEU 13 HA LEU 13 5.378 6.921 -22.684 80 HB2 LEU 13 2HB LEU 13 6.989 8.870 -21.356 81 HB3 LEU 13 1HB LEU 13 6.617 7.592 -20.216 82 HG LEU 13 HG LEU 13 8.728 7.163 -21.357 83 HD11 LEU 13 1HD1 LEU 13 8.019 4.917 -22.441 84 HD12 LEU 13 2HD1 LEU 13 6.412 5.340 -21.846 85 HD13 LEU 13 3HD1 LEU 13 7.756 5.169 -20.715 86 HD21 LEU 13 3HD2 LEU 13 8.777 8.051 -23.438 87 HD22 LEU 13 1HD2 LEU 13 7.075 7.703 -23.745 88 HD23 LEU 13 2HD2 LEU 13 8.276 6.420 -23.885 89 H VAL 14 H VAL 14 5.602 5.896 -20.103 90 HA VAL 14 HA VAL 14 2.961 5.274 -19.494 91 HB VAL 14 HB VAL 14 5.305 5.089 -17.598 92 HG11 VAL 14 1HG1 VAL 14 2.540 3.978 -17.595 93 HG12 VAL 14 2HG1 VAL 14 3.486 4.645 -16.265 94 HG13 VAL 14 3HG1 VAL 14 3.852 3.035 -16.886 95 HG21 VAL 14 3HG2 VAL 14 6.020 3.908 -19.465 96 HG22 VAL 14 1HG2 VAL 14 4.392 3.345 -19.851 97 HG23 VAL 14 2HG2 VAL 14 5.258 2.663 -18.475 98 HA PRO 15 HA PRO 15 3.221 8.301 -15.663 99 HB2 PRO 15 2HB PRO 15 5.043 10.346 -16.013 100 HB3 PRO 15 1HB PRO 15 5.328 8.904 -15.032 101 HG2 PRO 15 2HG PRO 15 6.178 9.484 -17.840 102 HG3 PRO 15 1HG PRO 15 7.089 8.707 -16.531 103 HD2 PRO 15 2HD PRO 15 5.977 7.261 -18.480 104 HD3 PRO 15 1HD PRO 15 5.992 6.679 -16.805 105 H ARG 16 H ARG 16 1.285 8.679 -16.942 106 HA ARG 16 HA ARG 16 1.342 11.269 -18.349 107 HB2 ARG 16 2HB ARG 16 0.650 8.926 -19.488 108 HB3 ARG 16 1HB ARG 16 -0.913 9.410 -18.844 109 HG2 ARG 16 2HG ARG 16 -1.143 11.113 -20.307 110 HG3 ARG 16 1HG ARG 16 0.583 11.481 -20.319 111 HD2 ARG 16 2HD ARG 16 1.043 9.748 -21.848 112 HD3 ARG 16 1HD ARG 16 -0.534 9.002 -21.599 113 HE ARG 16 HE ARG 16 0.100 11.174 -23.372 114 HH11 ARG 16 1HH1 ARG 16 -2.437 9.620 -21.545 115 HH12 ARG 16 2HH1 ARG 16 -3.706 10.227 -22.554 116 HH21 ARG 16 1HH2 ARG 16 -1.570 11.974 -24.699 117 HH22 ARG 16 2HH2 ARG 16 -3.215 11.563 -24.345 118 H GLY 17 H GLY 17 -0.022 12.841 -17.692 119 HA2 GLY 17 2HA GLY 17 -2.380 12.298 -16.150 120 HA3 GLY 17 1HA GLY 17 -1.074 12.940 -15.166 121 H SER 18 H SER 18 -1.614 14.983 -14.726 122 HA SER 18 HA SER 18 -2.221 16.746 -17.000 123 HB2 SER 18 2HB SER 18 -3.465 17.127 -14.279 124 HB3 SER 18 1HB SER 18 -3.928 17.875 -15.809 125 HG SER 18 HG SER 18 -4.512 15.722 -16.511 126 H HIS 19 H HIS 19 -2.296 19.151 -15.735 127 HA HIS 19 HA HIS 19 0.411 19.795 -15.427 128 HB2 HIS 19 2HB HIS 19 -1.348 21.413 -16.085 129 HB3 HIS 19 1HB HIS 19 -1.981 21.365 -14.443 130 HD1 HIS 19 1HD HIS 19 -0.462 22.438 -12.572 131 HD2 HIS 19 2HD HIS 19 0.826 23.067 -16.471 132 HE1 HIS 19 1HE HIS 19 1.226 24.295 -12.430 133 HE2 HIS 19 2HE HIS 19 1.926 24.718 -14.813 134 H MET 20 H MET 20 -2.023 18.863 -13.100 135 HA MET 20 HA MET 20 -0.486 19.631 -10.800 136 HB2 MET 20 2HB MET 20 -3.065 18.229 -11.288 137 HB3 MET 20 1HB MET 20 -2.269 17.947 -9.747 138 HG2 MET 20 2HG MET 20 -2.122 20.615 -9.828 139 HG3 MET 20 1HG MET 20 -3.574 20.375 -10.797 140 HE1 MET 20 3HE MET 20 -6.220 20.197 -8.769 141 HE2 MET 20 1HE MET 20 -5.884 18.483 -9.005 142 HE3 MET 20 2HE MET 20 -5.513 19.638 -10.283 143 H SER 21 H SER 21 -1.714 16.388 -11.589 144 HA SER 21 HA SER 21 -0.793 14.319 -11.380 145 HB2 SER 21 2HB SER 21 0.910 15.626 -12.953 146 HB3 SER 21 1HB SER 21 1.985 15.390 -11.575 147 HG SER 21 HG SER 21 0.505 13.271 -12.725 148 H LEU 22 H LEU 22 -1.195 15.956 -9.015 149 HA LEU 22 HA LEU 22 0.999 15.536 -7.228 150 HB2 LEU 22 2HB LEU 22 -1.801 16.528 -6.985 151 HB3 LEU 22 1HB LEU 22 -0.980 16.003 -5.528 152 HG LEU 22 HG LEU 22 0.829 17.629 -5.982 153 HD11 LEU 22 1HD1 LEU 22 -0.930 18.342 -8.316 154 HD12 LEU 22 2HD1 LEU 22 0.764 17.851 -8.338 155 HD13 LEU 22 3HD1 LEU 22 0.309 19.420 -7.671 156 HD21 LEU 22 3HD2 LEU 22 -1.912 18.885 -5.943 157 HD22 LEU 22 1HD2 LEU 22 -0.412 19.594 -5.344 158 HD23 LEU 22 2HD2 LEU 22 -1.103 18.185 -4.540 159 H ASP 23 H ASP 23 0.199 14.480 -4.970 160 HA ASP 23 HA ASP 23 -0.407 11.704 -5.675 161 HB2 ASP 23 2HB ASP 23 0.490 11.172 -3.423 162 HB3 ASP 23 1HB ASP 23 1.652 12.031 -4.430 163 H GLU 24 H GLU 24 -2.532 13.610 -5.611 164 HA GLU 24 HA GLU 24 -3.986 12.944 -3.156 165 HB2 GLU 24 2HB GLU 24 -4.216 15.085 -5.214 166 HB3 GLU 24 1HB GLU 24 -5.687 14.580 -4.393 167 HG2 GLU 24 2HG GLU 24 -5.123 16.104 -2.870 168 HG3 GLU 24 1HG GLU 24 -3.974 14.893 -2.303 169 H ASN 25 H ASN 25 -4.048 12.489 -6.629 170 HA ASN 25 HA ASN 25 -6.646 11.363 -6.786 171 HB2 ASN 25 2HB ASN 25 -5.446 12.278 -8.744 172 HB3 ASN 25 1HB ASN 25 -4.285 10.959 -8.636 173 HD21 ASN 25 1HD2 ASN 25 -4.658 9.809 -10.411 174 HD22 ASN 25 2HD2 ASN 25 -6.186 9.146 -10.869 175 H GLU 26 H GLU 26 -7.329 9.457 -6.087 176 HA GLU 26 HA GLU 26 -5.579 7.546 -4.931 177 HB2 GLU 26 2HB GLU 26 -8.198 8.083 -4.625 178 HB3 GLU 26 1HB GLU 26 -8.314 6.702 -5.708 179 HG2 GLU 26 2HG GLU 26 -7.144 5.306 -4.171 180 HG3 GLU 26 1HG GLU 26 -6.756 6.681 -3.137 181 H VAL 27 H VAL 27 -5.713 5.174 -5.560 182 HA VAL 27 HA VAL 27 -4.817 4.926 -8.277 183 HB VAL 27 HB VAL 27 -5.303 2.695 -6.303 184 HG11 VAL 27 1HG1 VAL 27 -3.171 2.666 -8.376 185 HG12 VAL 27 2HG1 VAL 27 -4.837 2.384 -8.881 186 HG13 VAL 27 3HG1 VAL 27 -4.090 1.330 -7.679 187 HG21 VAL 27 3HG2 VAL 27 -3.812 3.928 -5.085 188 HG22 VAL 27 1HG2 VAL 27 -3.106 4.687 -6.509 189 HG23 VAL 27 2HG2 VAL 27 -2.689 3.024 -6.099 190 H ALA 28 H ALA 28 -7.627 3.838 -6.420 191 HA ALA 28 HA ALA 28 -8.787 2.570 -8.766 192 HB1 ALA 28 1HB ALA 28 -8.894 1.795 -6.248 193 HB2 ALA 28 2HB ALA 28 -10.239 1.510 -7.354 194 HB3 ALA 28 3HB ALA 28 -10.300 2.862 -6.222 195 H ALA 29 H ALA 29 -10.111 3.572 -10.125 196 HA ALA 29 HA ALA 29 -10.920 6.284 -9.666 197 HB1 ALA 29 1HB ALA 29 -11.056 4.362 -11.910 198 HB2 ALA 29 2HB ALA 29 -10.530 6.046 -11.886 199 HB3 ALA 29 3HB ALA 29 -12.251 5.660 -11.896 200 H ASN 30 H ASN 30 -12.989 3.618 -10.782 201 HA ASN 30 HA ASN 30 -15.259 4.777 -9.427 202 HB2 ASN 30 2HB ASN 30 -14.957 2.290 -11.119 203 HB3 ASN 30 1HB ASN 30 -16.487 2.828 -10.433 204 HD21 ASN 30 1HD2 ASN 30 -13.974 3.530 -12.739 205 HD22 ASN 30 2HD2 ASN 30 -14.874 4.673 -13.672 206 H VAL 31 H VAL 31 -14.245 1.370 -9.496 207 HA VAL 31 HA VAL 31 -14.133 1.273 -6.597 208 HB VAL 31 HB VAL 31 -16.070 -0.532 -8.044 209 HG11 VAL 31 1HG1 VAL 31 -14.988 -0.391 -5.332 210 HG12 VAL 31 2HG1 VAL 31 -15.770 -1.727 -6.175 211 HG13 VAL 31 3HG1 VAL 31 -16.748 -0.486 -5.395 212 HG21 VAL 31 3HG2 VAL 31 -16.941 1.719 -8.141 213 HG22 VAL 31 1HG2 VAL 31 -16.628 1.948 -6.420 214 HG23 VAL 31 2HG2 VAL 31 -17.851 0.791 -6.948 215 H GLU 32 H GLU 32 -14.582 -1.076 -9.248 216 HA GLU 32 HA GLU 32 -13.377 -2.898 -9.883 217 HB2 GLU 32 2HB GLU 32 -11.713 -0.946 -10.213 218 HB3 GLU 32 1HB GLU 32 -10.925 -1.565 -8.769 219 HG2 GLU 32 2HG GLU 32 -10.294 -3.541 -9.806 220 HG3 GLU 32 1HG GLU 32 -11.501 -3.371 -11.081 221 H THR 33 H THR 33 -14.503 -2.856 -7.215 222 HA THR 33 HA THR 33 -13.173 -5.159 -6.163 223 HB THR 33 HB THR 33 -13.245 -2.782 -4.314 224 HG1 THR 33 1HG THR 33 -11.452 -2.089 -5.121 225 HG21 THR 33 3HG2 THR 33 -12.964 -4.615 -2.972 226 HG22 THR 33 1HG2 THR 33 -11.291 -4.193 -3.334 227 HG23 THR 33 2HG2 THR 33 -12.073 -5.515 -4.201 228 H ARG 34 H ARG 34 -14.993 -6.325 -6.011 229 HA ARG 34 HA ARG 34 -17.462 -5.172 -5.099 230 HB2 ARG 34 2HB ARG 34 -18.455 -7.300 -5.548 231 HB3 ARG 34 1HB ARG 34 -17.343 -6.935 -6.858 232 HG2 ARG 34 2HG ARG 34 -15.771 -8.511 -6.107 233 HG3 ARG 34 1HG ARG 34 -16.561 -8.666 -4.535 234 HD2 ARG 34 2HD ARG 34 -18.241 -9.291 -6.872 235 HD3 ARG 34 1HD ARG 34 -16.897 -10.396 -6.588 236 HE ARG 34 HE ARG 34 -19.277 -10.128 -5.013 237 HH11 ARG 34 1HH1 ARG 34 -15.921 -11.076 -4.951 238 HH12 ARG 34 2HH1 ARG 34 -16.116 -12.133 -3.593 239 HH21 ARG 34 1HH2 ARG 34 -19.536 -11.518 -3.227 240 HH22 ARG 34 2HH2 ARG 34 -18.167 -12.386 -2.616 241 HA PRO 35 HA PRO 35 -16.455 -7.775 -1.222 242 HB2 PRO 35 2HB PRO 35 -13.930 -8.465 -0.704 243 HB3 PRO 35 1HB PRO 35 -14.918 -9.399 -1.835 244 HG2 PRO 35 2HG PRO 35 -12.772 -7.405 -2.391 245 HG3 PRO 35 1HG PRO 35 -13.151 -8.913 -3.240 246 HD2 PRO 35 2HD PRO 35 -13.914 -6.353 -4.041 247 HD3 PRO 35 1HD PRO 35 -14.622 -7.872 -4.619 248 H GLU 36 H GLU 36 -14.726 -7.455 0.800 249 HA GLU 36 HA GLU 36 -14.763 -4.573 1.216 250 HB2 GLU 36 2HB GLU 36 -14.231 -5.179 3.581 251 HB3 GLU 36 1HB GLU 36 -15.727 -5.882 2.983 252 HG2 GLU 36 2HG GLU 36 -14.963 -7.988 3.150 253 HG3 GLU 36 1HG GLU 36 -13.328 -7.548 2.659 254 H LEU 37 H LEU 37 -13.006 -3.315 1.222 255 HA LEU 37 HA LEU 37 -10.481 -4.405 0.447 256 HB2 LEU 37 2HB LEU 37 -11.252 -1.606 1.274 257 HB3 LEU 37 1HB LEU 37 -9.687 -2.054 0.623 258 HG LEU 37 HG LEU 37 -12.051 -2.763 -1.020 259 HD11 LEU 37 1HD1 LEU 37 -12.453 -0.601 -1.834 260 HD12 LEU 37 2HD1 LEU 37 -11.039 0.064 -1.017 261 HD13 LEU 37 3HD1 LEU 37 -12.448 -0.432 -0.079 262 HD21 LEU 37 3HD2 LEU 37 -9.302 -1.653 -1.569 263 HD22 LEU 37 1HD2 LEU 37 -10.505 -2.005 -2.811 264 HD23 LEU 37 2HD2 LEU 37 -9.853 -3.309 -1.819 265 H ILE 38 H ILE 38 -9.123 -5.352 1.781 266 HA ILE 38 HA ILE 38 -9.078 -4.544 4.601 267 HB ILE 38 HB ILE 38 -7.475 -6.686 4.641 268 HG12 ILE 38 2HG1 ILE 38 -9.392 -7.213 2.360 269 HG13 ILE 38 1HG1 ILE 38 -7.634 -7.166 2.259 270 HG21 ILE 38 1HG2 ILE 38 -9.435 -6.357 6.025 271 HG22 ILE 38 2HG2 ILE 38 -9.427 -7.989 5.357 272 HG23 ILE 38 3HG2 ILE 38 -10.488 -6.760 4.667 273 HD11 ILE 38 3HD1 ILE 38 -7.439 -9.149 3.566 274 HD12 ILE 38 1HD1 ILE 38 -8.612 -9.448 2.283 275 HD13 ILE 38 2HD1 ILE 38 -9.165 -9.141 3.929 276 H THR 39 H THR 39 -6.638 -5.140 5.465 277 HA THR 39 HA THR 39 -4.618 -4.019 3.682 278 HB THR 39 HB THR 39 -4.068 -2.382 5.666 279 HG1 THR 39 1HG THR 39 -5.564 -2.655 7.142 280 HG21 THR 39 3HG2 THR 39 -6.337 -1.814 3.777 281 HG22 THR 39 1HG2 THR 39 -4.621 -1.591 3.439 282 HG23 THR 39 2HG2 THR 39 -5.412 -0.610 4.674 283 H ARG 40 H ARG 40 -2.645 -4.708 4.125 284 HA ARG 40 HA ARG 40 -1.942 -5.768 6.738 285 HB2 ARG 40 2HB ARG 40 -1.519 -7.529 4.331 286 HB3 ARG 40 1HB ARG 40 -1.384 -7.953 6.031 287 HG2 ARG 40 2HG ARG 40 -3.988 -7.201 4.738 288 HG3 ARG 40 1HG ARG 40 -3.390 -8.856 4.817 289 HD2 ARG 40 2HD ARG 40 -3.409 -7.341 7.352 290 HD3 ARG 40 1HD ARG 40 -4.983 -7.771 6.684 291 HE ARG 40 HE ARG 40 -3.053 -9.545 7.856 292 HH11 ARG 40 1HH1 ARG 40 -5.735 -9.309 5.637 293 HH12 ARG 40 2HH1 ARG 40 -6.166 -10.981 5.783 294 HH21 ARG 40 1HH2 ARG 40 -3.617 -11.743 8.050 295 HH22 ARG 40 2HH2 ARG 40 -4.964 -12.362 7.153 296 H THR 41 H THR 41 -0.233 -4.431 7.013 297 HA THR 41 HA THR 41 1.518 -3.802 4.800 298 HB THR 41 HB THR 41 2.376 -3.062 7.525 299 HG1 THR 41 1HG THR 41 -0.008 -1.960 6.460 300 HG21 THR 41 3HG2 THR 41 1.685 -1.106 5.403 301 HG22 THR 41 1HG2 THR 41 3.106 -2.128 5.192 302 HG23 THR 41 2HG2 THR 41 2.980 -1.071 6.597 303 H GLU 42 H GLU 42 3.211 -4.801 4.218 304 HA GLU 42 HA GLU 42 4.304 -6.908 5.927 305 HB2 GLU 42 2HB GLU 42 5.201 -6.468 3.109 306 HB3 GLU 42 1HB GLU 42 5.066 -7.969 4.013 307 HG2 GLU 42 2HG GLU 42 2.487 -7.344 3.907 308 HG3 GLU 42 1HG GLU 42 3.024 -6.487 2.462 309 H GLU 43 H GLU 43 6.482 -7.035 6.375 310 HA GLU 43 HA GLU 43 7.789 -4.577 6.853 311 HB2 GLU 43 2HB GLU 43 8.657 -7.448 7.071 312 HB3 GLU 43 1HB GLU 43 9.772 -6.129 7.399 313 HG2 GLU 43 2HG GLU 43 8.800 -5.611 9.360 314 HG3 GLU 43 1HG GLU 43 7.176 -5.986 8.780 315 H ILE 44 H ILE 44 8.347 -3.386 5.124 316 HA ILE 44 HA ILE 44 9.910 -4.661 2.983 317 HB ILE 44 HB ILE 44 8.555 -1.960 2.944 318 HG12 ILE 44 2HG1 ILE 44 7.361 -3.742 1.095 319 HG13 ILE 44 1HG1 ILE 44 7.460 -4.604 2.627 320 HG21 ILE 44 1HG2 ILE 44 10.474 -2.122 1.453 321 HG22 ILE 44 2HG2 ILE 44 8.967 -2.037 0.538 322 HG23 ILE 44 3HG2 ILE 44 9.797 -3.581 0.726 323 HD11 ILE 44 3HD1 ILE 44 6.165 -1.924 2.164 324 HD12 ILE 44 1HD1 ILE 44 6.314 -2.726 3.721 325 HD13 ILE 44 2HD1 ILE 44 5.335 -3.467 2.453 326 HA PRO 45 HA PRO 45 13.128 -2.260 5.197 327 HB2 PRO 45 2HB PRO 45 15.138 -3.990 4.813 328 HB3 PRO 45 1HB PRO 45 13.901 -4.270 6.046 329 HG2 PRO 45 2HG PRO 45 14.134 -5.442 3.299 330 HG3 PRO 45 1HG PRO 45 13.733 -6.248 4.826 331 HD2 PRO 45 2HD PRO 45 11.861 -5.471 2.995 332 HD3 PRO 45 1HD PRO 45 11.536 -5.600 4.734 333 H PHE 46 H PHE 46 15.097 -1.259 4.462 334 HA PHE 46 HA PHE 46 15.053 -0.702 1.614 335 HB2 PHE 46 2HB PHE 46 16.551 1.124 2.126 336 HB3 PHE 46 1HB PHE 46 15.232 1.130 3.289 337 HD1 PHE 46 2HD PHE 46 15.622 0.459 5.612 338 HD2 PHE 46 1HD PHE 46 18.805 0.695 2.798 339 HE1 PHE 46 2HE PHE 46 17.249 0.434 7.456 340 HE2 PHE 46 1HE PHE 46 20.437 0.670 4.637 341 HZ PHE 46 HZ PHE 46 19.660 0.542 6.969 342 H GLU 47 H GLU 47 17.371 -0.278 0.675 343 HA GLU 47 HA GLU 47 19.271 -2.339 1.462 344 HB2 GLU 47 2HB GLU 47 17.747 -2.324 -1.113 345 HB3 GLU 47 1HB GLU 47 19.400 -2.922 -1.093 346 HG2 GLU 47 2HG GLU 47 18.319 -4.870 -0.712 347 HG3 GLU 47 1HG GLU 47 18.473 -4.319 0.957 348 H VAL 48 H VAL 48 21.047 -1.160 1.735 349 HA VAL 48 HA VAL 48 21.586 1.274 0.399 350 HB VAL 48 HB VAL 48 23.657 -0.458 1.735 351 HG11 VAL 48 1HG1 VAL 48 23.460 2.377 0.902 352 HG12 VAL 48 2HG1 VAL 48 24.847 1.287 0.905 353 HG13 VAL 48 3HG1 VAL 48 24.306 2.031 2.409 354 HG21 VAL 48 3HG2 VAL 48 21.355 0.957 2.900 355 HG22 VAL 48 1HG2 VAL 48 22.907 1.260 3.683 356 HG23 VAL 48 2HG2 VAL 48 22.302 -0.390 3.533 357 H ILE 49 H ILE 49 23.279 1.758 -1.085 358 HA ILE 49 HA ILE 49 24.113 -0.525 -2.755 359 HB ILE 49 HB ILE 49 23.405 2.227 -3.774 360 HG12 ILE 49 2HG1 ILE 49 21.574 0.635 -4.918 361 HG13 ILE 49 1HG1 ILE 49 21.807 -0.255 -3.416 362 HG21 ILE 49 1HG2 ILE 49 24.907 1.410 -5.314 363 HG22 ILE 49 2HG2 ILE 49 23.383 0.810 -5.968 364 HG23 ILE 49 3HG2 ILE 49 24.432 -0.267 -5.046 365 HD11 ILE 49 3HD1 ILE 49 21.388 2.660 -3.190 366 HD12 ILE 49 1HD1 ILE 49 20.823 1.344 -2.160 367 HD13 ILE 49 2HD1 ILE 49 20.008 1.679 -3.687 368 H LYS 50 H LYS 50 26.097 -0.233 -3.935 369 HA LYS 50 HA LYS 50 27.874 1.813 -2.777 370 HB2 LYS 50 2HB LYS 50 29.711 0.067 -3.075 371 HB3 LYS 50 1HB LYS 50 28.580 -0.191 -1.755 372 HG2 LYS 50 2HG LYS 50 27.706 -2.055 -2.683 373 HG3 LYS 50 1HG LYS 50 27.889 -1.452 -4.332 374 HD2 LYS 50 2HD LYS 50 30.485 -1.727 -3.586 375 HD3 LYS 50 1HD LYS 50 29.732 -3.041 -2.678 376 HE2 LYS 50 2HE LYS 50 29.749 -2.588 -5.649 377 HE3 LYS 50 1HE LYS 50 30.364 -3.974 -4.749 378 HZ1 LYS 50 3HZ LYS 50 27.986 -4.358 -4.060 379 HZ2 LYS 50 1HZ LYS 50 28.339 -4.652 -5.689 380 HZ3 LYS 50 2HZ LYS 50 27.541 -3.229 -5.240 381 H LYS 51 H LYS 51 27.998 3.227 -4.437 382 HA LYS 51 HA LYS 51 28.488 2.212 -7.138 383 HB2 LYS 51 2HB LYS 51 27.961 5.053 -6.250 384 HB3 LYS 51 1HB LYS 51 27.981 4.456 -7.904 385 HG2 LYS 51 2HG LYS 51 26.075 2.908 -7.155 386 HG3 LYS 51 1HG LYS 51 25.947 3.982 -5.759 387 HD2 LYS 51 2HD LYS 51 26.065 5.268 -8.422 388 HD3 LYS 51 1HD LYS 51 24.593 4.373 -8.040 389 HE2 LYS 51 2HE LYS 51 24.756 5.706 -5.783 390 HE3 LYS 51 1HE LYS 51 25.727 6.812 -6.754 391 HZ1 LYS 51 3HZ LYS 51 23.653 7.664 -7.084 392 HZ2 LYS 51 1HZ LYS 51 22.876 6.165 -6.965 393 HZ3 LYS 51 2HZ LYS 51 23.708 6.577 -8.379 394 H GLU 52 H GLU 52 30.032 3.657 -8.460 395 HA GLU 52 HA GLU 52 32.493 3.999 -6.882 396 HB2 GLU 52 2HB GLU 52 33.724 3.560 -8.947 397 HB3 GLU 52 1HB GLU 52 32.626 2.237 -8.580 398 HG2 GLU 52 2HG GLU 52 31.074 3.801 -10.174 399 HG3 GLU 52 1HG GLU 52 32.677 4.069 -10.859 400 H ASN 53 H ASN 53 32.667 6.096 -6.373 401 HA ASN 53 HA ASN 53 32.186 8.087 -8.487 402 HB2 ASN 53 2HB ASN 53 32.163 9.691 -6.447 403 HB3 ASN 53 1HB ASN 53 30.758 8.673 -6.741 404 HD21 ASN 53 1HD2 ASN 53 33.171 9.558 -4.552 405 HD22 ASN 53 2HD2 ASN 53 32.826 8.396 -3.322 406 HA PRO 54 HA PRO 54 36.745 8.160 -8.181 407 HB2 PRO 54 2HB PRO 54 37.101 9.405 -10.582 408 HB3 PRO 54 1HB PRO 54 36.890 7.658 -10.411 409 HG2 PRO 54 2HG PRO 54 34.879 9.746 -11.157 410 HG3 PRO 54 1HG PRO 54 35.135 8.137 -11.858 411 HD2 PRO 54 2HD PRO 54 33.156 8.636 -10.097 412 HD3 PRO 54 1HD PRO 54 33.998 7.073 -10.152 413 H ASN 55 H ASN 55 34.396 10.674 -8.586 414 HA ASN 55 HA ASN 55 35.972 12.953 -8.682 415 HB2 ASN 55 2HB ASN 55 34.025 14.057 -7.473 416 HB3 ASN 55 1HB ASN 55 33.630 13.210 -8.965 417 HD21 ASN 55 1HD2 ASN 55 31.544 12.736 -8.521 418 HD22 ASN 55 2HD2 ASN 55 31.042 11.688 -7.243 419 H LEU 56 H LEU 56 35.289 10.823 -6.012 420 HA LEU 56 HA LEU 56 36.350 12.630 -4.024 421 HB2 LEU 56 2HB LEU 56 35.033 9.999 -4.054 422 HB3 LEU 56 1HB LEU 56 36.230 10.202 -2.790 423 HG LEU 56 HG LEU 56 35.047 12.128 -1.914 424 HD11 LEU 56 1HD1 LEU 56 33.100 13.040 -2.856 425 HD12 LEU 56 2HD1 LEU 56 32.901 11.685 -3.967 426 HD13 LEU 56 3HD1 LEU 56 34.214 12.838 -4.209 427 HD21 LEU 56 3HD2 LEU 56 34.237 9.545 -1.704 428 HD22 LEU 56 1HD2 LEU 56 32.752 10.329 -2.245 429 HD23 LEU 56 2HD2 LEU 56 33.560 10.885 -0.779 430 HA PRO 57 HA PRO 57 40.499 11.114 -3.986 431 HB2 PRO 57 2HB PRO 57 40.787 10.823 -1.158 432 HB3 PRO 57 1HB PRO 57 41.214 12.216 -2.152 433 HG2 PRO 57 2HG PRO 57 39.190 12.171 -0.261 434 HG3 PRO 57 1HG PRO 57 39.314 13.332 -1.593 435 HD2 PRO 57 2HD PRO 57 37.633 10.870 -1.370 436 HD3 PRO 57 1HD PRO 57 37.250 12.438 -2.114 437 H ALA 58 H ALA 58 38.397 8.936 -3.951 438 HA ALA 58 HA ALA 58 38.325 6.667 -3.891 439 HB1 ALA 58 1HB ALA 58 40.227 6.399 -5.130 440 HB2 ALA 58 2HB ALA 58 40.709 5.580 -3.644 441 HB3 ALA 58 3HB ALA 58 41.244 7.232 -3.955 442 H GLY 59 H GLY 59 37.533 5.488 -2.281 443 HA2 GLY 59 2HA GLY 59 37.694 4.243 -0.282 444 HA3 GLY 59 1HA GLY 59 39.039 5.256 0.215 445 H GLN 60 H GLN 60 37.381 7.681 -0.558 446 HA GLN 60 HA GLN 60 36.295 8.144 2.035 447 HB2 GLN 60 2HB GLN 60 37.294 9.813 0.275 448 HB3 GLN 60 1HB GLN 60 35.639 9.878 -0.317 449 HG2 GLN 60 2HG GLN 60 35.492 10.182 2.470 450 HG3 GLN 60 1HG GLN 60 36.820 11.206 1.923 451 HE21 GLN 60 1HE2 GLN 60 33.428 10.737 2.004 452 HE22 GLN 60 2HE2 GLN 60 32.979 12.190 1.182 453 H GLU 61 H GLU 61 34.348 7.652 2.776 454 HA GLU 61 HA GLU 61 32.207 7.093 0.830 455 HB2 GLU 61 2HB GLU 61 32.325 6.009 3.637 456 HB3 GLU 61 1HB GLU 61 31.315 5.463 2.307 457 HG2 GLU 61 2HG GLU 61 32.827 3.908 1.890 458 HG3 GLU 61 1HG GLU 61 33.931 5.187 1.389 459 H ASN 62 H ASN 62 30.711 8.624 0.770 460 HA ASN 62 HA ASN 62 30.041 10.038 3.269 461 HB2 ASN 62 2HB ASN 62 29.321 11.926 1.721 462 HB3 ASN 62 1HB ASN 62 31.055 11.645 1.848 463 HD21 ASN 62 1HD2 ASN 62 28.387 11.859 -0.218 464 HD22 ASN 62 2HD2 ASN 62 29.174 11.386 -1.681 465 H ILE 63 H ILE 63 28.040 9.745 3.978 466 HA ILE 63 HA ILE 63 26.112 8.368 2.310 467 HB ILE 63 HB ILE 63 25.733 9.336 5.142 468 HG12 ILE 63 2HG1 ILE 63 26.793 6.688 4.129 469 HG13 ILE 63 1HG1 ILE 63 27.691 7.886 5.054 470 HG21 ILE 63 1HG2 ILE 63 23.777 8.215 5.169 471 HG22 ILE 63 2HG2 ILE 63 24.386 6.916 4.142 472 HG23 ILE 63 3HG2 ILE 63 23.861 8.437 3.421 473 HD11 ILE 63 3HD1 ILE 63 26.850 5.872 6.318 474 HD12 ILE 63 1HD1 ILE 63 25.230 6.542 6.120 475 HD13 ILE 63 2HD1 ILE 63 26.457 7.447 7.006 476 H ILE 64 H ILE 64 24.410 9.247 1.329 477 HA ILE 64 HA ILE 64 24.033 12.136 1.533 478 HB ILE 64 HB ILE 64 22.625 10.290 -0.386 479 HG12 ILE 64 2HG1 ILE 64 25.041 9.932 -0.623 480 HG13 ILE 64 1HG1 ILE 64 24.395 10.793 -2.018 481 HG21 ILE 64 1HG2 ILE 64 23.356 12.988 -1.229 482 HG22 ILE 64 2HG2 ILE 64 22.265 12.948 0.156 483 HG23 ILE 64 3HG2 ILE 64 21.815 12.140 -1.345 484 HD11 ILE 64 3HD1 ILE 64 25.298 12.860 -1.239 485 HD12 ILE 64 1HD1 ILE 64 26.576 11.645 -1.202 486 HD13 ILE 64 2HD1 ILE 64 25.777 12.131 0.294 487 H THR 65 H THR 65 22.139 9.141 1.724 488 HA THR 65 HA THR 65 20.337 10.413 3.613 489 HB THR 65 HB THR 65 19.346 10.860 1.380 490 HG1 THR 65 1HG THR 65 17.844 8.968 2.858 491 HG21 THR 65 3HG2 THR 65 18.333 8.208 0.905 492 HG22 THR 65 1HG2 THR 65 20.088 8.268 0.752 493 HG23 THR 65 2HG2 THR 65 19.081 9.350 -0.210 494 H ALA 66 H ALA 66 20.895 9.014 5.210 495 HA ALA 66 HA ALA 66 21.535 6.366 5.109 496 HB1 ALA 66 1HB ALA 66 19.903 7.689 7.272 497 HB2 ALA 66 2HB ALA 66 21.661 7.727 7.137 498 HB3 ALA 66 3HB ALA 66 20.833 6.199 7.432 499 H GLY 67 H GLY 67 20.552 4.530 4.588 500 HA2 GLY 67 2HA GLY 67 17.884 4.469 3.634 501 HA3 GLY 67 1HA GLY 67 18.909 3.067 3.916 502 H VAL 68 H VAL 68 15.994 4.037 4.611 503 HA VAL 68 HA VAL 68 16.063 2.911 7.328 504 HB VAL 68 HB VAL 68 14.208 5.136 6.483 505 HG11 VAL 68 1HG1 VAL 68 14.615 3.573 8.992 506 HG12 VAL 68 2HG1 VAL 68 13.115 4.038 8.189 507 HG13 VAL 68 3HG1 VAL 68 14.047 5.239 9.083 508 HG21 VAL 68 3HG2 VAL 68 16.166 6.312 6.611 509 HG22 VAL 68 1HG2 VAL 68 16.894 5.186 7.758 510 HG23 VAL 68 2HG2 VAL 68 15.682 6.344 8.307 511 H LYS 69 H LYS 69 14.516 1.441 7.805 512 HA LYS 69 HA LYS 69 13.172 0.155 5.681 513 HB2 LYS 69 2HB LYS 69 13.024 -0.120 8.674 514 HB3 LYS 69 1HB LYS 69 12.018 -1.086 7.605 515 HG2 LYS 69 2HG LYS 69 13.717 -2.539 7.715 516 HG3 LYS 69 1HG LYS 69 14.454 -1.491 6.502 517 HD2 LYS 69 2HD LYS 69 15.573 -0.237 8.310 518 HD3 LYS 69 1HD LYS 69 14.883 -1.356 9.486 519 HE2 LYS 69 2HE LYS 69 16.091 -3.199 8.512 520 HE3 LYS 69 1HE LYS 69 16.682 -2.170 7.207 521 HZ1 LYS 69 3HZ LYS 69 17.483 -2.215 10.039 522 HZ2 LYS 69 1HZ LYS 69 17.668 -0.794 9.140 523 HZ3 LYS 69 2HZ LYS 69 18.453 -2.210 8.653 524 H GLY 70 H GLY 70 11.203 0.397 4.855 525 HA2 GLY 70 2HA GLY 70 9.395 2.339 6.145 526 HA3 GLY 70 1HA GLY 70 9.450 2.015 4.416 527 H GLU 71 H GLU 71 7.224 1.485 4.287 528 HA GLU 71 HA GLU 71 6.668 -1.237 4.815 529 HB2 GLU 71 2HB GLU 71 6.121 0.504 6.945 530 HB3 GLU 71 1HB GLU 71 4.563 0.208 6.183 531 HG2 GLU 71 2HG GLU 71 4.587 -1.522 7.640 532 HG3 GLU 71 1HG GLU 71 5.403 -2.297 6.282 533 H ARG 72 H ARG 72 4.619 -1.853 3.950 534 HA ARG 72 HA ARG 72 3.250 0.154 2.356 535 HB2 ARG 72 2HB ARG 72 4.966 -0.917 0.873 536 HB3 ARG 72 1HB ARG 72 4.184 -2.465 1.165 537 HG2 ARG 72 2HG ARG 72 2.187 -1.730 0.079 538 HG3 ARG 72 1HG ARG 72 2.819 -0.094 -0.062 539 HD2 ARG 72 2HD ARG 72 4.759 -1.700 -1.240 540 HD3 ARG 72 1HD ARG 72 3.223 -2.376 -1.783 541 HE ARG 72 HE ARG 72 3.091 0.391 -2.090 542 HH11 ARG 72 1HH1 ARG 72 4.878 -2.307 -3.396 543 HH12 ARG 72 2HH1 ARG 72 5.127 -1.557 -4.936 544 HH21 ARG 72 1HH2 ARG 72 3.418 1.380 -4.114 545 HH22 ARG 72 2HH2 ARG 72 4.299 0.538 -5.345 546 H THR 73 H THR 73 1.271 0.035 3.042 547 HA THR 73 HA THR 73 0.274 -2.338 4.307 548 HB THR 73 HB THR 73 -1.244 0.119 3.421 549 HG1 THR 73 1HG THR 73 0.463 0.410 5.032 550 HG21 THR 73 3HG2 THR 73 -2.227 -1.347 5.718 551 HG22 THR 73 1HG2 THR 73 -2.291 -2.263 4.209 552 HG23 THR 73 2HG2 THR 73 -3.090 -0.692 4.325 553 H HIS 74 H HIS 74 -0.698 -4.000 3.375 554 HA HIS 74 HA HIS 74 -1.313 -3.717 0.548 555 HB2 HIS 74 2HB HIS 74 -0.135 -5.880 2.166 556 HB3 HIS 74 1HB HIS 74 -1.116 -6.355 0.766 557 HD1 HIS 74 1HD HIS 74 1.750 -4.150 1.712 558 HD2 HIS 74 2HD HIS 74 0.102 -5.941 -1.645 559 HE1 HIS 74 1HE HIS 74 3.306 -3.580 -0.194 560 HE2 HIS 74 2HE HIS 74 2.065 -4.374 -2.238 561 H TYR 75 H TYR 75 -3.194 -3.576 -0.089 562 HA TYR 75 HA TYR 75 -5.418 -4.315 1.587 563 HB2 TYR 75 2HB TYR 75 -5.898 -3.171 -1.107 564 HB3 TYR 75 1HB TYR 75 -6.625 -2.749 0.438 565 HD1 TYR 75 2HD TYR 75 -3.803 -2.323 1.797 566 HD2 TYR 75 1HD TYR 75 -5.597 -0.835 -1.767 567 HE1 TYR 75 2HE TYR 75 -2.357 -0.342 1.896 568 HE2 TYR 75 1HE TYR 75 -4.171 1.172 -1.639 569 HH TYR 75 HH TYR 75 -2.497 2.054 1.085 570 H ILE 76 H ILE 76 -5.843 -6.405 1.551 571 HA ILE 76 HA ILE 76 -5.732 -7.933 -0.914 572 HB ILE 76 HB ILE 76 -6.374 -8.715 1.933 573 HG12 ILE 76 2HG1 ILE 76 -4.196 -9.974 1.671 574 HG13 ILE 76 1HG1 ILE 76 -3.960 -9.102 0.160 575 HG21 ILE 76 1HG2 ILE 76 -7.603 -10.211 0.531 576 HG22 ILE 76 2HG2 ILE 76 -6.168 -11.065 1.100 577 HG23 ILE 76 3HG2 ILE 76 -6.222 -10.426 -0.543 578 HD11 ILE 76 3HD1 ILE 76 -4.523 -7.507 2.591 579 HD12 ILE 76 1HD1 ILE 76 -3.491 -7.147 1.207 580 HD13 ILE 76 2HD1 ILE 76 -2.940 -8.271 2.449 581 H SER 77 H SER 77 -7.560 -9.317 -1.557 582 HA SER 77 HA SER 77 -10.126 -7.940 -1.114 583 HB2 SER 77 2HB SER 77 -9.141 -9.538 -3.487 584 HB3 SER 77 1HB SER 77 -10.792 -8.945 -3.316 585 HG SER 77 HG SER 77 -9.846 -6.811 -3.143 586 H VAL 78 H VAL 78 -11.724 -9.016 -0.152 587 HA VAL 78 HA VAL 78 -11.295 -11.745 0.686 588 HB VAL 78 HB VAL 78 -13.759 -10.055 1.118 589 HG11 VAL 78 1HG1 VAL 78 -13.460 -12.695 1.567 590 HG12 VAL 78 2HG1 VAL 78 -14.498 -11.647 2.533 591 HG13 VAL 78 3HG1 VAL 78 -12.876 -12.048 3.100 592 HG21 VAL 78 3HG2 VAL 78 -11.803 -8.857 1.933 593 HG22 VAL 78 1HG2 VAL 78 -11.292 -10.281 2.840 594 HG23 VAL 78 2HG2 VAL 78 -12.780 -9.442 3.281 595 H LEU 79 H LEU 79 -11.564 -13.242 -0.865 596 HA LEU 79 HA LEU 79 -14.123 -13.231 -2.326 597 HB2 LEU 79 2HB LEU 79 -11.345 -13.697 -3.299 598 HB3 LEU 79 1HB LEU 79 -12.645 -14.617 -4.033 599 HG LEU 79 HG LEU 79 -12.981 -11.666 -3.841 600 HD11 LEU 79 1HD1 LEU 79 -11.811 -11.811 -6.239 601 HD12 LEU 79 2HD1 LEU 79 -10.869 -13.036 -5.391 602 HD13 LEU 79 3HD1 LEU 79 -10.936 -11.388 -4.767 603 HD21 LEU 79 3HD2 LEU 79 -14.244 -11.958 -5.822 604 HD22 LEU 79 1HD2 LEU 79 -14.693 -13.281 -4.747 605 HD23 LEU 79 2HD2 LEU 79 -13.588 -13.572 -6.089 606 H THR 80 H THR 80 -15.081 -14.602 -0.802 607 HA THR 80 HA THR 80 -13.881 -17.099 -0.064 608 HB THR 80 HB THR 80 -16.812 -16.639 0.238 609 HG1 THR 80 1HG THR 80 -14.884 -15.276 1.803 610 HG21 THR 80 3HG2 THR 80 -15.040 -17.303 2.505 611 HG22 THR 80 1HG2 THR 80 -15.251 -18.531 1.257 612 HG23 THR 80 2HG2 THR 80 -16.656 -17.891 2.110 613 H GLU 81 H GLU 81 -14.461 -19.170 -0.712 614 HA GLU 81 HA GLU 81 -16.430 -19.542 -2.799 615 HB2 GLU 81 2HB GLU 81 -13.480 -19.770 -3.293 616 HB3 GLU 81 1HB GLU 81 -14.606 -20.789 -4.181 617 HG2 GLU 81 2HG GLU 81 -14.697 -19.120 -5.645 618 HG3 GLU 81 1HG GLU 81 -15.721 -18.308 -4.461 619 H ASN 82 H ASN 82 -17.427 -21.421 -2.485 620 HA ASN 82 HA ASN 82 -17.924 -23.500 -1.709 621 HB2 ASN 82 2HB ASN 82 -14.937 -23.963 -1.794 622 HB3 ASN 82 1HB ASN 82 -16.193 -25.197 -1.791 623 HD21 ASN 82 1HD2 ASN 82 -14.277 -23.138 -3.673 624 HD22 ASN 82 2HD2 ASN 82 -14.986 -23.482 -5.209 625 H GLY 83 H GLY 83 -17.559 -21.397 0.188 626 HA2 GLY 83 2HA GLY 83 -17.577 -21.165 2.475 627 HA3 GLY 83 1HA GLY 83 -17.517 -22.918 2.580 628 H LYS 84 H LYS 84 -15.222 -20.534 1.271 629 HA LYS 84 HA LYS 84 -13.357 -20.971 3.416 630 HB2 LYS 84 2HB LYS 84 -13.230 -22.888 1.534 631 HB3 LYS 84 1HB LYS 84 -12.180 -21.689 0.792 632 HG2 LYS 84 2HG LYS 84 -10.579 -21.883 2.407 633 HG3 LYS 84 1HG LYS 84 -11.734 -22.372 3.647 634 HD2 LYS 84 2HD LYS 84 -10.464 -24.301 3.168 635 HD3 LYS 84 1HD LYS 84 -12.004 -24.531 2.340 636 HE2 LYS 84 2HE LYS 84 -10.906 -23.615 0.270 637 HE3 LYS 84 1HE LYS 84 -9.373 -23.694 1.138 638 HZ1 LYS 84 3HZ LYS 84 -10.983 -25.837 0.021 639 HZ2 LYS 84 1HZ LYS 84 -10.279 -26.160 1.526 640 HZ3 LYS 84 2HZ LYS 84 -9.306 -25.727 0.212 641 H THR 85 H THR 85 -12.881 -18.894 3.760 642 HA THR 85 HA THR 85 -12.739 -16.965 1.645 643 HB THR 85 HB THR 85 -11.574 -16.313 4.291 644 HG1 THR 85 1HG THR 85 -13.171 -17.418 5.180 645 HG21 THR 85 3HG2 THR 85 -13.861 -14.776 3.455 646 HG22 THR 85 1HG2 THR 85 -12.641 -14.865 2.185 647 HG23 THR 85 2HG2 THR 85 -12.207 -14.257 3.783 648 H THR 86 H THR 86 -11.022 -16.316 0.513 649 HA THR 86 HA THR 86 -8.370 -17.292 1.353 650 HB THR 86 HB THR 86 -9.359 -16.732 -1.450 651 HG1 THR 86 1HG THR 86 -8.737 -19.215 -0.237 652 HG21 THR 86 3HG2 THR 86 -7.255 -18.157 -1.961 653 HG22 THR 86 1HG2 THR 86 -6.708 -17.579 -0.386 654 HG23 THR 86 2HG2 THR 86 -7.094 -16.425 -1.664 655 H GLU 87 H GLU 87 -6.567 -15.928 1.026 656 HA GLU 87 HA GLU 87 -7.267 -13.077 0.779 657 HB2 GLU 87 2HB GLU 87 -4.936 -12.919 2.065 658 HB3 GLU 87 1HB GLU 87 -6.464 -13.103 2.913 659 HG2 GLU 87 2HG GLU 87 -4.960 -14.616 3.905 660 HG3 GLU 87 1HG GLU 87 -6.047 -15.581 2.907 661 H THR 88 H THR 88 -6.662 -12.285 -1.114 662 HA THR 88 HA THR 88 -3.999 -12.980 -2.141 663 HB THR 88 HB THR 88 -6.545 -12.838 -3.768 664 HG1 THR 88 1HG THR 88 -4.809 -14.966 -3.086 665 HG21 THR 88 3HG2 THR 88 -3.693 -12.898 -4.587 666 HG22 THR 88 1HG2 THR 88 -5.070 -12.084 -5.330 667 HG23 THR 88 2HG2 THR 88 -4.866 -13.825 -5.523 668 H VAL 89 H VAL 89 -2.803 -11.247 -2.591 669 HA VAL 89 HA VAL 89 -3.617 -8.635 -2.097 670 HB VAL 89 HB VAL 89 -1.258 -9.317 -2.143 671 HG11 VAL 89 1HG1 VAL 89 -1.026 -9.094 -5.068 672 HG12 VAL 89 2HG1 VAL 89 -1.810 -10.559 -4.475 673 HG13 VAL 89 3HG1 VAL 89 -0.180 -10.149 -3.936 674 HG21 VAL 89 3HG2 VAL 89 -0.365 -7.339 -3.336 675 HG22 VAL 89 1HG2 VAL 89 -1.742 -6.962 -2.299 676 HG23 VAL 89 2HG2 VAL 89 -1.960 -7.085 -4.045 677 H LEU 90 H LEU 90 -4.104 -6.873 -3.450 678 HA LEU 90 HA LEU 90 -4.771 -7.500 -6.233 679 HB2 LEU 90 2HB LEU 90 -6.682 -7.270 -4.213 680 HB3 LEU 90 1HB LEU 90 -6.735 -5.729 -5.047 681 HG LEU 90 HG LEU 90 -6.841 -7.256 -7.195 682 HD11 LEU 90 1HD1 LEU 90 -8.043 -9.318 -6.830 683 HD12 LEU 90 2HD1 LEU 90 -8.049 -9.041 -5.088 684 HD13 LEU 90 3HD1 LEU 90 -6.529 -9.349 -5.928 685 HD21 LEU 90 3HD2 LEU 90 -9.425 -7.313 -5.814 686 HD22 LEU 90 1HD2 LEU 90 -8.965 -6.548 -7.335 687 HD23 LEU 90 2HD2 LEU 90 -8.624 -5.742 -5.804 688 H ASP 91 H ASP 91 -4.648 -4.891 -3.806 689 HA ASP 91 HA ASP 91 -2.992 -3.300 -5.550 690 HB2 ASP 91 2HB ASP 91 -5.670 -2.983 -5.940 691 HB3 ASP 91 1HB ASP 91 -5.366 -1.768 -4.700 692 H SER 92 H SER 92 -1.581 -2.221 -4.334 693 HA SER 92 HA SER 92 -2.394 -1.192 -1.727 694 HB2 SER 92 2HB SER 92 0.238 -2.528 -1.754 695 HB3 SER 92 1HB SER 92 -0.924 -2.289 -0.441 696 HG SER 92 HG SER 92 -2.252 -3.860 -1.730 697 H GLN 93 H GLN 93 -1.316 0.553 -1.038 698 HA GLN 93 HA GLN 93 0.525 1.795 -2.955 699 HB2 GLN 93 2HB GLN 93 -1.574 2.856 -1.117 700 HB3 GLN 93 1HB GLN 93 -0.157 3.860 -1.401 701 HG2 GLN 93 2HG GLN 93 -0.786 3.197 -3.930 702 HG3 GLN 93 1HG GLN 93 -2.385 3.153 -3.186 703 HE21 GLN 93 1HE2 GLN 93 -3.176 5.058 -2.178 704 HE22 GLN 93 2HE2 GLN 93 -2.592 6.613 -2.649 705 H VAL 94 H VAL 94 2.241 3.202 -1.832 706 HA VAL 94 HA VAL 94 3.428 1.549 0.231 707 HB VAL 94 HB VAL 94 4.841 2.360 -1.598 708 HG11 VAL 94 1HG1 VAL 94 4.977 4.494 -2.272 709 HG12 VAL 94 2HG1 VAL 94 5.006 5.118 -0.624 710 HG13 VAL 94 3HG1 VAL 94 3.469 4.704 -1.383 711 HG21 VAL 94 3HG2 VAL 94 6.669 2.576 -0.287 712 HG22 VAL 94 1HG2 VAL 94 5.524 2.190 0.996 713 HG23 VAL 94 2HG2 VAL 94 5.959 3.869 0.678 714 H THR 95 H THR 95 2.680 1.845 2.211 715 HA THR 95 HA THR 95 2.303 4.601 3.151 716 HB THR 95 HB THR 95 0.641 3.827 4.644 717 HG1 THR 95 1HG THR 95 1.585 2.019 5.493 718 HG21 THR 95 3HG2 THR 95 -0.861 3.560 3.047 719 HG22 THR 95 1HG2 THR 95 -0.411 1.857 2.916 720 HG23 THR 95 2HG2 THR 95 0.391 3.070 1.908 721 H LYS 96 H LYS 96 4.520 4.756 3.529 722 HA LYS 96 HA LYS 96 5.521 4.941 5.918 723 HB2 LYS 96 2HB LYS 96 5.446 2.046 5.296 724 HB3 LYS 96 1HB LYS 96 6.935 2.644 6.009 725 HG2 LYS 96 2HG LYS 96 4.613 3.653 7.403 726 HG3 LYS 96 1HG LYS 96 4.633 1.889 7.354 727 HD2 LYS 96 2HD LYS 96 5.920 2.163 9.200 728 HD3 LYS 96 1HD LYS 96 7.195 2.332 7.991 729 HE2 LYS 96 2HE LYS 96 7.627 4.229 9.145 730 HE3 LYS 96 1HE LYS 96 6.357 4.875 8.106 731 HZ1 LYS 96 3HZ LYS 96 5.766 5.531 10.246 732 HZ2 LYS 96 1HZ LYS 96 6.168 4.037 10.933 733 HZ3 LYS 96 2HZ LYS 96 4.788 4.178 9.965 734 H GLU 97 H GLU 97 6.176 3.572 2.786 735 HA GLU 97 HA GLU 97 7.889 3.784 1.309 736 HB2 GLU 97 2HB GLU 97 7.109 6.253 1.986 737 HB3 GLU 97 1HB GLU 97 8.779 6.338 2.529 738 HG2 GLU 97 2HG GLU 97 9.247 5.343 0.135 739 HG3 GLU 97 1HG GLU 97 7.684 6.077 -0.217 740 H VAL 98 H VAL 98 9.526 2.405 1.518 741 HA VAL 98 HA VAL 98 11.285 2.481 3.807 742 HB VAL 98 HB VAL 98 10.656 0.317 2.834 743 HG11 VAL 98 1HG1 VAL 98 12.401 0.347 0.541 744 HG12 VAL 98 2HG1 VAL 98 11.144 1.577 0.389 745 HG13 VAL 98 3HG1 VAL 98 10.700 -0.109 0.653 746 HG21 VAL 98 3HG2 VAL 98 13.296 1.192 3.450 747 HG22 VAL 98 1HG2 VAL 98 13.385 -0.032 2.185 748 HG23 VAL 98 2HG2 VAL 98 12.570 -0.394 3.705 749 H ILE 99 H ILE 99 12.611 4.174 3.852 750 HA ILE 99 HA ILE 99 13.702 5.463 1.595 751 HB ILE 99 HB ILE 99 14.658 5.494 4.462 752 HG12 ILE 99 2HG1 ILE 99 13.533 7.888 4.117 753 HG13 ILE 99 1HG1 ILE 99 12.597 6.998 2.921 754 HG21 ILE 99 1HG2 ILE 99 15.769 7.621 3.831 755 HG22 ILE 99 2HG2 ILE 99 15.374 7.286 2.145 756 HG23 ILE 99 3HG2 ILE 99 16.455 6.208 3.029 757 HD11 ILE 99 3HD1 ILE 99 11.290 6.215 4.516 758 HD12 ILE 99 1HD1 ILE 99 12.212 7.130 5.709 759 HD13 ILE 99 2HD1 ILE 99 12.676 5.475 5.316 760 H ASN 100 H ASN 100 15.308 4.905 0.302 761 HA ASN 100 HA ASN 100 16.989 2.635 0.990 762 HB2 ASN 100 2HB ASN 100 16.334 4.112 -1.522 763 HB3 ASN 100 1HB ASN 100 17.850 3.216 -1.449 764 HD21 ASN 100 1HD2 ASN 100 17.360 1.606 -2.835 765 HD22 ASN 100 2HD2 ASN 100 16.109 0.444 -2.572 766 H GLN 101 H GLN 101 19.106 2.739 1.490 767 HA GLN 101 HA GLN 101 20.236 5.217 2.251 768 HB2 GLN 101 2HB GLN 101 20.790 3.007 3.282 769 HB3 GLN 101 1HB GLN 101 21.687 2.605 1.824 770 HG2 GLN 101 2HG GLN 101 23.447 3.841 2.417 771 HG3 GLN 101 1HG GLN 101 22.442 5.165 3.001 772 HE21 GLN 101 1HE2 GLN 101 24.478 4.881 4.497 773 HE22 GLN 101 2HE2 GLN 101 24.166 4.000 5.950 774 H VAL 102 H VAL 102 21.296 6.678 1.104 775 HA VAL 102 HA VAL 102 22.320 5.905 -1.550 776 HB VAL 102 HB VAL 102 21.423 8.640 -0.621 777 HG11 VAL 102 1HG1 VAL 102 22.209 9.523 -2.519 778 HG12 VAL 102 2HG1 VAL 102 21.694 8.142 -3.488 779 HG13 VAL 102 3HG1 VAL 102 23.219 8.079 -2.603 780 HG21 VAL 102 3HG2 VAL 102 20.081 6.770 -2.567 781 HG22 VAL 102 1HG2 VAL 102 19.496 8.344 -2.031 782 HG23 VAL 102 2HG2 VAL 102 19.583 7.001 -0.892 783 H VAL 103 H VAL 103 24.427 5.438 -1.149 784 HA VAL 103 HA VAL 103 26.053 7.586 0.048 785 HB VAL 103 HB VAL 103 26.663 4.638 0.274 786 HG11 VAL 103 1HG1 VAL 103 28.630 6.037 0.375 787 HG12 VAL 103 2HG1 VAL 103 28.275 5.402 1.981 788 HG13 VAL 103 3HG1 VAL 103 27.871 7.071 1.584 789 HG21 VAL 103 3HG2 VAL 103 24.629 5.174 1.523 790 HG22 VAL 103 1HG2 VAL 103 25.478 6.482 2.348 791 HG23 VAL 103 2HG2 VAL 103 25.971 4.809 2.609 792 H GLU 104 H GLU 104 28.215 7.778 -0.744 793 HA GLU 104 HA GLU 104 28.727 6.437 -3.310 794 HB2 GLU 104 2HB GLU 104 29.378 9.346 -2.898 795 HB3 GLU 104 1HB GLU 104 29.299 8.444 -4.405 796 HG2 GLU 104 2HG GLU 104 26.750 8.198 -3.446 797 HG3 GLU 104 1HG GLU 104 27.198 9.826 -2.933 798 H VAL 105 H VAL 105 30.476 5.240 -2.912 799 HA VAL 105 HA VAL 105 32.604 6.328 -1.210 800 HB VAL 105 HB VAL 105 32.336 3.503 -2.238 801 HG11 VAL 105 1HG1 VAL 105 34.466 3.467 -1.518 802 HG12 VAL 105 2HG1 VAL 105 33.737 3.386 0.085 803 HG13 VAL 105 3HG1 VAL 105 34.274 4.937 -0.562 804 HG21 VAL 105 3HG2 VAL 105 30.398 3.991 -0.889 805 HG22 VAL 105 1HG2 VAL 105 31.410 4.690 0.376 806 HG23 VAL 105 2HG2 VAL 105 31.498 2.963 0.031 807 H GLY 106 H GLY 106 34.618 6.743 -1.955 808 HA2 GLY 106 2HA GLY 106 35.052 7.244 -4.667 809 HA3 GLY 106 1HA GLY 106 36.314 7.131 -3.449 810 H ALA 107 H ALA 107 36.265 6.229 -6.257 811 HA ALA 107 HA ALA 107 35.968 3.494 -6.564 812 HB1 ALA 107 1HB ALA 107 37.926 5.383 -7.855 813 HB2 ALA 107 2HB ALA 107 36.362 4.855 -8.476 814 HB3 ALA 107 3HB ALA 107 37.699 3.710 -8.365 815 HA PRO 108 HA PRO 108 39.156 1.655 -4.121 816 HB2 PRO 108 2HB PRO 108 39.561 -0.654 -5.479 817 HB3 PRO 108 1HB PRO 108 38.107 -0.355 -4.519 818 HG2 PRO 108 2HG PRO 108 38.505 -0.118 -7.477 819 HG3 PRO 108 1HG PRO 108 37.144 -0.822 -6.584 820 HD2 PRO 108 2HD PRO 108 37.068 1.671 -7.649 821 HD3 PRO 108 1HD PRO 108 36.191 1.234 -6.168 822 H VAL 109 H VAL 109 41.369 0.666 -4.312 823 HA VAL 109 HA VAL 109 42.863 1.983 -6.484 824 HB VAL 109 HB VAL 109 43.946 1.205 -3.776 825 HG11 VAL 109 1HG1 VAL 109 45.200 3.324 -5.393 826 HG12 VAL 109 2HG1 VAL 109 45.326 1.688 -6.043 827 HG13 VAL 109 3HG1 VAL 109 45.935 2.045 -4.427 828 HG21 VAL 109 3HG2 VAL 109 42.383 2.865 -3.260 829 HG22 VAL 109 1HG2 VAL 109 42.718 3.769 -4.737 830 HG23 VAL 109 2HG2 VAL 109 43.902 3.746 -3.430 831 H THR 110 H THR 110 42.487 -0.965 -4.611 832 HA THR 110 HA THR 110 44.632 -2.341 -5.944 833 HB THR 110 HB THR 110 42.530 -3.897 -4.549 834 HG1 THR 110 1HG THR 110 42.588 -2.780 -2.796 835 HG21 THR 110 3HG2 THR 110 45.066 -4.200 -3.372 836 HG22 THR 110 1HG2 THR 110 45.305 -4.164 -5.118 837 HG23 THR 110 2HG2 THR 110 44.196 -5.335 -4.403 838 H HIS 111 H HIS 111 43.803 -4.746 -6.665 839 HA HIS 111 HA HIS 111 42.881 -5.942 -8.364 840 HB2 HIS 111 2HB HIS 111 40.616 -4.111 -7.628 841 HB3 HIS 111 1HB HIS 111 40.461 -5.221 -8.986 842 HD1 HIS 111 1HD HIS 111 42.059 -7.580 -7.552 843 HD2 HIS 111 2HD HIS 111 38.840 -5.468 -5.992 844 HE1 HIS 111 1HE HIS 111 41.036 -9.094 -5.825 845 HE2 HIS 111 2HE HIS 111 39.143 -7.760 -4.834 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -25.063 4.076 -23.271 2 H2 MET 1 2HT MET 1 -25.942 3.582 -21.883 3 H3 MET 1 3HT MET 1 -25.685 5.251 -22.189 4 HA MET 1 HA MET 1 -27.428 3.354 -23.580 5 HB2 MET 1 2HB MET 1 -27.879 5.042 -21.526 6 HB3 MET 1 1HB MET 1 -28.173 6.136 -22.871 7 HG2 MET 1 2HG MET 1 -29.990 4.931 -23.630 8 HG3 MET 1 1HG MET 1 -29.482 3.454 -22.809 9 HE1 MET 1 2HE MET 1 -31.671 2.822 -21.007 10 HE2 MET 1 3HE MET 1 -30.967 3.442 -19.514 11 HE3 MET 1 1HE MET 1 -29.928 2.736 -20.751 12 H GLY 2 H GLY 2 -25.462 6.227 -23.938 13 HA2 GLY 2 2HA GLY 2 -24.837 6.305 -26.470 14 HA3 GLY 2 1HA GLY 2 -26.545 6.692 -26.626 15 H SER 3 H SER 3 -24.165 7.728 -24.201 16 HA SER 3 HA SER 3 -23.434 9.784 -23.564 17 HB2 SER 3 2HB SER 3 -23.876 10.086 -26.473 18 HB3 SER 3 1HB SER 3 -23.813 11.589 -25.555 19 HG SER 3 HG SER 3 -21.850 9.538 -25.551 20 H SER 4 H SER 4 -25.998 10.912 -25.742 21 HA SER 4 HA SER 4 -27.881 12.133 -25.374 22 HB2 SER 4 2HB SER 4 -28.188 9.972 -23.837 23 HB3 SER 4 1HB SER 4 -28.131 11.186 -22.560 24 HG SER 4 HG SER 4 -30.183 11.347 -23.045 25 H HIS 5 H HIS 5 -25.286 13.258 -24.706 26 HA HIS 5 HA HIS 5 -26.111 15.670 -23.535 27 HB2 HIS 5 2HB HIS 5 -25.829 13.851 -21.567 28 HB3 HIS 5 1HB HIS 5 -24.169 14.434 -21.664 29 HD1 HIS 5 1HD HIS 5 -25.049 17.438 -22.345 30 HD2 HIS 5 2HD HIS 5 -26.360 15.120 -19.156 31 HE1 HIS 5 1HE HIS 5 -25.818 19.075 -20.597 32 HE2 HIS 5 2HE HIS 5 -26.688 17.648 -18.711 33 H HIS 6 H HIS 6 -24.905 17.035 -24.660 34 HA HIS 6 HA HIS 6 -22.379 16.285 -25.775 35 HB2 HIS 6 2HB HIS 6 -24.268 18.046 -26.542 36 HB3 HIS 6 1HB HIS 6 -23.159 19.146 -25.731 37 HD1 HIS 6 1HD HIS 6 -22.578 16.231 -28.120 38 HD2 HIS 6 2HD HIS 6 -21.588 20.236 -27.631 39 HE1 HIS 6 1HE HIS 6 -21.056 16.785 -30.043 40 HE2 HIS 6 2HE HIS 6 -20.400 19.190 -29.678 41 H HIS 7 H HIS 7 -20.563 18.065 -25.596 42 HA HIS 7 HA HIS 7 -19.535 17.898 -22.977 43 HB2 HIS 7 2HB HIS 7 -18.702 19.202 -25.517 44 HB3 HIS 7 1HB HIS 7 -17.965 19.797 -24.033 45 HD1 HIS 7 1HD HIS 7 -17.563 17.272 -26.558 46 HD2 HIS 7 2HD HIS 7 -16.730 17.557 -22.497 47 HE1 HIS 7 1HE HIS 7 -15.885 15.458 -26.087 48 HE2 HIS 7 2HE HIS 7 -15.461 15.595 -23.606 49 H HIS 8 H HIS 8 -20.229 18.990 -21.270 50 HA HIS 8 HA HIS 8 -20.812 21.852 -21.568 51 HB2 HIS 8 2HB HIS 8 -22.614 19.723 -20.539 52 HB3 HIS 8 1HB HIS 8 -22.604 21.252 -19.665 53 HD1 HIS 8 1HD HIS 8 -22.801 20.251 -23.342 54 HD2 HIS 8 2HD HIS 8 -24.513 22.888 -20.628 55 HE1 HIS 8 1HE HIS 8 -24.526 21.532 -24.648 56 HE2 HIS 8 2HE HIS 8 -25.490 23.182 -23.006 57 H HIS 9 H HIS 9 -21.290 22.649 -19.103 58 HA HIS 9 HA HIS 9 -18.793 22.622 -17.838 59 HB2 HIS 9 2HB HIS 9 -21.511 23.610 -17.141 60 HB3 HIS 9 1HB HIS 9 -20.349 23.451 -15.827 61 HD1 HIS 9 1HD HIS 9 -17.843 24.576 -16.736 62 HD2 HIS 9 2HD HIS 9 -21.455 26.131 -18.077 63 HE1 HIS 9 1HE HIS 9 -17.323 26.909 -17.519 64 HE2 HIS 9 2HE HIS 9 -19.538 27.858 -18.246 65 H SER 10 H SER 10 -18.054 20.579 -17.374 66 HA SER 10 HA SER 10 -19.509 19.159 -15.242 67 HB2 SER 10 2HB SER 10 -19.810 17.758 -17.116 68 HB3 SER 10 1HB SER 10 -18.168 18.034 -17.695 69 HG SER 10 HG SER 10 -17.580 16.380 -16.562 70 H SER 11 H SER 11 -18.137 20.399 -13.803 71 HA SER 11 HA SER 11 -15.906 18.953 -12.904 72 HB2 SER 11 2HB SER 11 -15.149 20.375 -15.069 73 HB3 SER 11 1HB SER 11 -14.888 21.583 -13.812 74 HG SER 11 HG SER 11 -13.570 20.060 -12.731 75 H GLY 12 H GLY 12 -14.746 20.106 -11.113 76 HA2 GLY 12 2HA GLY 12 -15.110 22.403 -9.885 77 HA3 GLY 12 1HA GLY 12 -16.704 21.707 -9.639 78 H LEU 13 H LEU 13 -16.061 22.033 -7.347 79 HA LEU 13 HA LEU 13 -14.074 20.220 -6.284 80 HB2 LEU 13 2HB LEU 13 -14.831 22.610 -5.443 81 HB3 LEU 13 1HB LEU 13 -16.014 21.675 -4.550 82 HG LEU 13 HG LEU 13 -13.165 20.846 -4.340 83 HD11 LEU 13 1HD1 LEU 13 -12.846 23.168 -4.056 84 HD12 LEU 13 2HD1 LEU 13 -12.930 22.484 -2.432 85 HD13 LEU 13 3HD1 LEU 13 -14.324 23.330 -3.106 86 HD21 LEU 13 3HD2 LEU 13 -13.850 19.828 -2.443 87 HD22 LEU 13 1HD2 LEU 13 -15.430 19.938 -3.220 88 HD23 LEU 13 2HD2 LEU 13 -14.955 21.133 -2.012 89 H VAL 14 H VAL 14 -17.549 20.383 -6.606 90 HA VAL 14 HA VAL 14 -17.724 17.675 -5.466 91 HB VAL 14 HB VAL 14 -20.027 18.285 -4.652 92 HG11 VAL 14 1HG1 VAL 14 -19.256 19.141 -2.584 93 HG12 VAL 14 2HG1 VAL 14 -17.861 19.911 -3.341 94 HG13 VAL 14 3HG1 VAL 14 -17.945 18.153 -3.230 95 HG21 VAL 14 3HG2 VAL 14 -19.152 21.144 -4.756 96 HG22 VAL 14 1HG2 VAL 14 -20.771 20.474 -4.553 97 HG23 VAL 14 2HG2 VAL 14 -19.984 20.420 -6.131 98 HA PRO 15 HA PRO 15 -19.800 16.608 -9.211 99 HB2 PRO 15 2HB PRO 15 -21.384 14.574 -8.367 100 HB3 PRO 15 1HB PRO 15 -19.634 14.415 -8.545 101 HG2 PRO 15 2HG PRO 15 -21.252 14.909 -6.074 102 HG3 PRO 15 1HG PRO 15 -19.875 13.815 -6.310 103 HD2 PRO 15 2HD PRO 15 -19.624 16.240 -5.132 104 HD3 PRO 15 1HD PRO 15 -18.330 15.513 -6.104 105 H ARG 16 H ARG 16 -21.877 16.945 -6.349 106 HA ARG 16 HA ARG 16 -23.885 18.248 -8.060 107 HB2 ARG 16 2HB ARG 16 -24.226 15.999 -6.141 108 HB3 ARG 16 1HB ARG 16 -25.495 17.215 -6.197 109 HG2 ARG 16 2HG ARG 16 -26.177 16.611 -8.276 110 HG3 ARG 16 1HG ARG 16 -24.564 16.102 -8.779 111 HD2 ARG 16 2HD ARG 16 -24.785 14.012 -7.850 112 HD3 ARG 16 1HD ARG 16 -25.964 14.551 -6.655 113 HE ARG 16 HE ARG 16 -26.498 13.602 -9.315 114 HH11 ARG 16 1HH1 ARG 16 -27.698 15.548 -6.679 115 HH12 ARG 16 2HH1 ARG 16 -29.355 15.399 -7.157 116 HH21 ARG 16 1HH2 ARG 16 -28.677 13.405 -9.948 117 HH22 ARG 16 2HH2 ARG 16 -29.911 14.182 -9.013 118 H GLY 17 H GLY 17 -25.563 19.409 -6.573 119 HA2 GLY 17 2HA GLY 17 -24.000 21.180 -4.870 120 HA3 GLY 17 1HA GLY 17 -25.651 21.442 -5.412 121 H SER 18 H SER 18 -24.020 18.868 -3.558 122 HA SER 18 HA SER 18 -26.179 19.076 -1.570 123 HB2 SER 18 2HB SER 18 -25.698 16.778 -0.969 124 HB3 SER 18 1HB SER 18 -25.904 16.875 -2.717 125 HG SER 18 HG SER 18 -23.442 16.794 -1.305 126 H HIS 19 H HIS 19 -23.918 20.864 -1.621 127 HA HIS 19 HA HIS 19 -22.417 21.809 -0.198 128 HB2 HIS 19 2HB HIS 19 -24.463 20.962 1.376 129 HB3 HIS 19 1HB HIS 19 -23.116 20.096 2.105 130 HD1 HIS 19 1HD HIS 19 -21.339 22.828 1.124 131 HD2 HIS 19 2HD HIS 19 -24.400 22.411 3.904 132 HE1 HIS 19 1HE HIS 19 -21.098 24.782 2.690 133 HE2 HIS 19 2HE HIS 19 -22.906 24.460 4.414 134 H MET 20 H MET 20 -20.880 20.892 1.864 135 HA MET 20 HA MET 20 -19.497 18.539 0.762 136 HB2 MET 20 2HB MET 20 -18.132 21.004 1.856 137 HB3 MET 20 1HB MET 20 -17.349 19.588 1.169 138 HG2 MET 20 2HG MET 20 -17.819 20.187 -0.971 139 HG3 MET 20 1HG MET 20 -19.292 21.046 -0.526 140 HE1 MET 20 3HE MET 20 -19.007 22.711 -2.018 141 HE2 MET 20 1HE MET 20 -17.376 22.959 -2.638 142 HE3 MET 20 2HE MET 20 -18.155 24.217 -1.678 143 H SER 21 H SER 21 -20.392 17.213 2.357 144 HA SER 21 HA SER 21 -18.920 16.970 4.734 145 HB2 SER 21 2HB SER 21 -21.447 18.533 4.904 146 HB3 SER 21 1HB SER 21 -21.136 17.360 6.184 147 HG SER 21 HG SER 21 -19.920 18.866 6.990 148 H LEU 22 H LEU 22 -22.118 16.401 3.302 149 HA LEU 22 HA LEU 22 -22.012 13.639 4.310 150 HB2 LEU 22 2HB LEU 22 -23.985 15.290 4.780 151 HB3 LEU 22 1HB LEU 22 -24.471 14.884 3.145 152 HG LEU 22 HG LEU 22 -24.313 12.423 3.951 153 HD11 LEU 22 1HD1 LEU 22 -25.064 12.468 6.464 154 HD12 LEU 22 2HD1 LEU 22 -24.128 13.963 6.491 155 HD13 LEU 22 3HD1 LEU 22 -23.354 12.446 6.029 156 HD21 LEU 22 3HD2 LEU 22 -26.637 12.886 5.182 157 HD22 LEU 22 1HD2 LEU 22 -26.448 12.979 3.432 158 HD23 LEU 22 2HD2 LEU 22 -26.419 14.451 4.401 159 H ASP 23 H ASP 23 -21.515 12.104 2.901 160 HA ASP 23 HA ASP 23 -22.587 12.078 0.242 161 HB2 ASP 23 2HB ASP 23 -20.656 13.592 -0.057 162 HB3 ASP 23 1HB ASP 23 -19.590 12.340 0.572 163 H GLU 24 H GLU 24 -19.655 10.730 1.756 164 HA GLU 24 HA GLU 24 -19.009 8.598 2.202 165 HB2 GLU 24 2HB GLU 24 -21.948 8.510 2.528 166 HB3 GLU 24 1HB GLU 24 -21.157 6.956 2.304 167 HG2 GLU 24 2HG GLU 24 -21.289 7.310 4.626 168 HG3 GLU 24 1HG GLU 24 -19.609 7.597 4.177 169 H ASN 25 H ASN 25 -21.876 7.756 0.290 170 HA ASN 25 HA ASN 25 -20.087 6.473 -1.660 171 HB2 ASN 25 2HB ASN 25 -23.026 5.927 -1.210 172 HB3 ASN 25 1HB ASN 25 -21.915 4.993 -2.207 173 HD21 ASN 25 1HD2 ASN 25 -23.477 5.019 0.645 174 HD22 ASN 25 2HD2 ASN 25 -22.425 4.014 1.577 175 H GLU 26 H GLU 26 -23.329 7.969 -1.638 176 HA GLU 26 HA GLU 26 -24.376 9.351 -3.111 177 HB2 GLU 26 2HB GLU 26 -21.996 10.518 -2.652 178 HB3 GLU 26 1HB GLU 26 -21.848 10.241 -4.382 179 HG2 GLU 26 2HG GLU 26 -24.187 11.646 -3.123 180 HG3 GLU 26 1HG GLU 26 -22.750 12.477 -3.717 181 H VAL 27 H VAL 27 -23.806 6.631 -3.885 182 HA VAL 27 HA VAL 27 -24.328 6.887 -6.712 183 HB VAL 27 HB VAL 27 -22.562 5.161 -7.293 184 HG11 VAL 27 1HG1 VAL 27 -21.391 7.778 -6.388 185 HG12 VAL 27 2HG1 VAL 27 -22.482 7.655 -7.767 186 HG13 VAL 27 3HG1 VAL 27 -20.942 6.797 -7.782 187 HG21 VAL 27 3HG2 VAL 27 -20.961 4.522 -5.833 188 HG22 VAL 27 1HG2 VAL 27 -22.182 4.949 -4.634 189 HG23 VAL 27 2HG2 VAL 27 -20.905 6.096 -5.039 190 H ALA 28 H ALA 28 -24.477 4.524 -7.665 191 HA ALA 28 HA ALA 28 -26.570 3.232 -6.331 192 HB1 ALA 28 1HB ALA 28 -25.916 3.134 -8.808 193 HB2 ALA 28 2HB ALA 28 -26.551 1.666 -8.064 194 HB3 ALA 28 3HB ALA 28 -24.816 1.841 -8.327 195 H ALA 29 H ALA 29 -26.059 2.680 -4.233 196 HA ALA 29 HA ALA 29 -23.729 1.382 -3.383 197 HB1 ALA 29 1HB ALA 29 -24.937 2.318 -1.656 198 HB2 ALA 29 2HB ALA 29 -25.312 0.605 -1.464 199 HB3 ALA 29 3HB ALA 29 -26.473 1.682 -2.242 200 H ASN 30 H ASN 30 -26.914 -0.194 -3.336 201 HA ASN 30 HA ASN 30 -27.566 -2.327 -3.778 202 HB2 ASN 30 2HB ASN 30 -26.313 -1.503 -6.021 203 HB3 ASN 30 1HB ASN 30 -25.296 -2.880 -5.603 204 HD21 ASN 30 1HD2 ASN 30 -25.907 -4.760 -6.373 205 HD22 ASN 30 2HD2 ASN 30 -27.505 -5.189 -6.869 206 H VAL 31 H VAL 31 -26.429 -4.694 -4.141 207 HA VAL 31 HA VAL 31 -24.520 -4.942 -1.908 208 HB VAL 31 HB VAL 31 -26.458 -7.072 -2.803 209 HG11 VAL 31 1HG1 VAL 31 -24.968 -8.257 -1.582 210 HG12 VAL 31 2HG1 VAL 31 -25.901 -7.609 -0.232 211 HG13 VAL 31 3HG1 VAL 31 -24.389 -6.836 -0.711 212 HG21 VAL 31 3HG2 VAL 31 -28.019 -5.668 -1.967 213 HG22 VAL 31 1HG2 VAL 31 -26.845 -4.748 -1.026 214 HG23 VAL 31 2HG2 VAL 31 -27.439 -6.297 -0.424 215 H GLU 32 H GLU 32 -23.827 -4.526 -4.690 216 HA GLU 32 HA GLU 32 -22.378 -7.044 -5.171 217 HB2 GLU 32 2HB GLU 32 -24.360 -6.219 -6.796 218 HB3 GLU 32 1HB GLU 32 -23.016 -5.340 -7.513 219 HG2 GLU 32 2HG GLU 32 -21.814 -7.379 -7.898 220 HG3 GLU 32 1HG GLU 32 -23.033 -8.308 -7.027 221 H THR 33 H THR 33 -21.531 -4.692 -3.716 222 HA THR 33 HA THR 33 -19.516 -3.540 -5.513 223 HB THR 33 HB THR 33 -19.794 -2.541 -2.733 224 HG1 THR 33 1HG THR 33 -21.748 -2.012 -4.718 225 HG21 THR 33 3HG2 THR 33 -19.315 -0.463 -3.622 226 HG22 THR 33 1HG2 THR 33 -19.864 -0.916 -5.237 227 HG23 THR 33 2HG2 THR 33 -18.345 -1.557 -4.610 228 H ARG 34 H ARG 34 -18.961 -6.106 -4.939 229 HA ARG 34 HA ARG 34 -17.321 -7.481 -4.169 230 HB2 ARG 34 2HB ARG 34 -16.129 -4.773 -3.864 231 HB3 ARG 34 1HB ARG 34 -15.323 -6.107 -3.052 232 HG2 ARG 34 2HG ARG 34 -14.227 -6.195 -5.028 233 HG3 ARG 34 1HG ARG 34 -15.599 -7.225 -5.442 234 HD2 ARG 34 2HD ARG 34 -16.746 -5.266 -6.403 235 HD3 ARG 34 1HD ARG 34 -15.332 -4.279 -6.034 236 HE ARG 34 HE ARG 34 -14.337 -5.108 -7.910 237 HH11 ARG 34 1HH1 ARG 34 -16.900 -7.284 -6.978 238 HH12 ARG 34 2HH1 ARG 34 -16.727 -8.287 -8.380 239 HH21 ARG 34 1HH2 ARG 34 -14.110 -6.423 -9.754 240 HH22 ARG 34 2HH2 ARG 34 -15.144 -7.798 -9.957 241 HA PRO 35 HA PRO 35 -18.256 -8.413 0.026 242 HB2 PRO 35 2HB PRO 35 -15.865 -9.561 0.824 243 HB3 PRO 35 1HB PRO 35 -17.151 -10.400 -0.047 244 HG2 PRO 35 2HG PRO 35 -14.625 -9.193 -1.090 245 HG3 PRO 35 1HG PRO 35 -15.435 -10.697 -1.568 246 HD2 PRO 35 2HD PRO 35 -15.598 -8.470 -3.061 247 HD3 PRO 35 1HD PRO 35 -16.966 -9.594 -2.910 248 H GLU 36 H GLU 36 -14.776 -7.661 0.120 249 HA GLU 36 HA GLU 36 -15.085 -5.139 1.370 250 HB2 GLU 36 2HB GLU 36 -14.932 -7.539 3.098 251 HB3 GLU 36 1HB GLU 36 -13.887 -6.199 3.548 252 HG2 GLU 36 2HG GLU 36 -16.147 -4.843 3.195 253 HG3 GLU 36 1HG GLU 36 -16.834 -6.414 3.604 254 H LEU 37 H LEU 37 -13.119 -4.068 1.642 255 HA LEU 37 HA LEU 37 -10.824 -5.462 0.448 256 HB2 LEU 37 2HB LEU 37 -11.431 -2.515 0.705 257 HB3 LEU 37 1HB LEU 37 -9.935 -3.159 0.056 258 HG LEU 37 HG LEU 37 -11.615 -4.428 -1.570 259 HD11 LEU 37 1HD1 LEU 37 -13.679 -3.692 -0.721 260 HD12 LEU 37 2HD1 LEU 37 -13.413 -2.743 -2.183 261 HD13 LEU 37 3HD1 LEU 37 -13.127 -2.021 -0.600 262 HD21 LEU 37 3HD2 LEU 37 -11.264 -1.592 -2.302 263 HD22 LEU 37 1HD2 LEU 37 -10.802 -3.056 -3.169 264 HD23 LEU 37 2HD2 LEU 37 -9.801 -2.464 -1.843 265 H ILE 38 H ILE 38 -9.328 -6.152 1.800 266 HA ILE 38 HA ILE 38 -9.002 -4.807 4.388 267 HB ILE 38 HB ILE 38 -7.536 -6.878 4.877 268 HG12 ILE 38 2HG1 ILE 38 -9.177 -7.961 2.579 269 HG13 ILE 38 1HG1 ILE 38 -7.446 -7.648 2.516 270 HG21 ILE 38 1HG2 ILE 38 -9.803 -6.351 5.801 271 HG22 ILE 38 2HG2 ILE 38 -9.415 -8.069 5.718 272 HG23 ILE 38 3HG2 ILE 38 -10.486 -7.346 4.516 273 HD11 ILE 38 3HD1 ILE 38 -8.102 -10.031 2.895 274 HD12 ILE 38 1HD1 ILE 38 -8.713 -9.540 4.475 275 HD13 ILE 38 2HD1 ILE 38 -6.999 -9.357 4.095 276 H THR 39 H THR 39 -6.511 -5.254 5.137 277 HA THR 39 HA THR 39 -4.590 -4.712 3.042 278 HB THR 39 HB THR 39 -4.003 -2.545 4.557 279 HG1 THR 39 1HG THR 39 -5.664 -1.932 5.642 280 HG21 THR 39 3HG2 THR 39 -5.359 -2.940 2.010 281 HG22 THR 39 1HG2 THR 39 -4.060 -1.827 2.442 282 HG23 THR 39 2HG2 THR 39 -5.736 -1.403 2.787 283 H ARG 40 H ARG 40 -2.455 -4.696 3.766 284 HA ARG 40 HA ARG 40 -1.671 -5.034 6.472 285 HB2 ARG 40 2HB ARG 40 -2.686 -7.253 6.176 286 HB3 ARG 40 1HB ARG 40 -1.713 -7.518 4.736 287 HG2 ARG 40 2HG ARG 40 0.215 -6.975 6.553 288 HG3 ARG 40 1HG ARG 40 -0.998 -7.753 7.571 289 HD2 ARG 40 2HD ARG 40 0.099 -8.896 5.006 290 HD3 ARG 40 1HD ARG 40 0.642 -9.344 6.622 291 HE ARG 40 HE ARG 40 -2.111 -9.712 6.547 292 HH11 ARG 40 1HH1 ARG 40 0.725 -11.020 4.991 293 HH12 ARG 40 2HH1 ARG 40 0.020 -12.581 4.738 294 HH21 ARG 40 1HH2 ARG 40 -3.041 -11.764 6.215 295 HH22 ARG 40 2HH2 ARG 40 -2.119 -13.004 5.432 296 H THR 41 H THR 41 0.388 -4.290 6.511 297 HA THR 41 HA THR 41 1.693 -3.854 3.980 298 HB THR 41 HB THR 41 3.231 -2.480 5.161 299 HG1 THR 41 1HG THR 41 2.264 -3.628 7.566 300 HG21 THR 41 3HG2 THR 41 1.635 -0.969 5.393 301 HG22 THR 41 1HG2 THR 41 1.416 -1.556 7.042 302 HG23 THR 41 2HG2 THR 41 0.424 -2.204 5.737 303 H GLU 42 H GLU 42 3.362 -4.714 3.140 304 HA GLU 42 HA GLU 42 4.421 -7.152 4.366 305 HB2 GLU 42 2HB GLU 42 5.095 -6.285 1.582 306 HB3 GLU 42 1HB GLU 42 4.921 -7.910 2.230 307 HG2 GLU 42 2HG GLU 42 2.593 -6.048 1.885 308 HG3 GLU 42 1HG GLU 42 3.147 -7.132 0.611 309 H GLU 43 H GLU 43 6.566 -7.453 4.732 310 HA GLU 43 HA GLU 43 8.130 -5.171 5.317 311 HB2 GLU 43 2HB GLU 43 8.528 -8.115 5.420 312 HB3 GLU 43 1HB GLU 43 9.973 -7.114 5.407 313 HG2 GLU 43 2HG GLU 43 9.682 -7.167 7.633 314 HG3 GLU 43 1HG GLU 43 8.574 -5.837 7.297 315 H ILE 44 H ILE 44 8.488 -3.932 3.525 316 HA ILE 44 HA ILE 44 9.877 -5.150 1.244 317 HB ILE 44 HB ILE 44 8.585 -2.429 1.508 318 HG12 ILE 44 2HG1 ILE 44 7.585 -4.400 -0.451 319 HG13 ILE 44 1HG1 ILE 44 7.323 -4.828 1.236 320 HG21 ILE 44 1HG2 ILE 44 10.416 -2.277 -0.027 321 HG22 ILE 44 2HG2 ILE 44 8.918 -2.315 -0.957 322 HG23 ILE 44 3HG2 ILE 44 9.921 -3.762 -0.841 323 HD11 ILE 44 3HD1 ILE 44 5.901 -2.969 -0.402 324 HD12 ILE 44 1HD1 ILE 44 6.579 -2.131 0.995 325 HD13 ILE 44 2HD1 ILE 44 5.521 -3.538 1.221 326 HA PRO 45 HA PRO 45 13.430 -3.152 3.294 327 HB2 PRO 45 2HB PRO 45 15.305 -4.841 2.398 328 HB3 PRO 45 1HB PRO 45 14.207 -5.291 3.709 329 HG2 PRO 45 2HG PRO 45 14.064 -5.990 0.798 330 HG3 PRO 45 1HG PRO 45 13.822 -7.036 2.209 331 HD2 PRO 45 2HD PRO 45 11.770 -5.934 0.789 332 HD3 PRO 45 1HD PRO 45 11.660 -6.329 2.514 333 H PHE 46 H PHE 46 15.238 -2.000 2.537 334 HA PHE 46 HA PHE 46 14.974 -1.026 -0.179 335 HB2 PHE 46 2HB PHE 46 16.504 0.719 0.497 336 HB3 PHE 46 1HB PHE 46 15.296 0.517 1.760 337 HD1 PHE 46 1HD PHE 46 15.893 -0.589 3.879 338 HD2 PHE 46 2HD PHE 46 18.809 0.270 0.900 339 HE1 PHE 46 1HE PHE 46 17.678 -0.913 5.539 340 HE2 PHE 46 2HE PHE 46 20.599 -0.054 2.557 341 HZ PHE 46 HZ PHE 46 20.035 -0.646 4.878 342 H GLU 47 H GLU 47 17.399 -0.317 -0.979 343 HA GLU 47 HA GLU 47 19.163 -2.641 -0.835 344 HB2 GLU 47 2HB GLU 47 17.444 -2.568 -2.878 345 HB3 GLU 47 1HB GLU 47 18.684 -1.518 -3.548 346 HG2 GLU 47 2HG GLU 47 19.169 -4.303 -2.517 347 HG3 GLU 47 1HG GLU 47 18.927 -3.881 -4.212 348 H VAL 48 H VAL 48 20.884 -1.633 0.033 349 HA VAL 48 HA VAL 48 21.648 1.033 -0.522 350 HB VAL 48 HB VAL 48 22.300 -0.102 1.549 351 HG11 VAL 48 1HG1 VAL 48 23.448 -2.026 -0.334 352 HG12 VAL 48 2HG1 VAL 48 22.895 -2.250 1.326 353 HG13 VAL 48 3HG1 VAL 48 24.508 -1.608 1.012 354 HG21 VAL 48 3HG2 VAL 48 24.903 0.449 0.216 355 HG22 VAL 48 1HG2 VAL 48 24.300 0.985 1.784 356 HG23 VAL 48 2HG2 VAL 48 23.707 1.742 0.306 357 H ILE 49 H ILE 49 23.324 1.854 -1.769 358 HA ILE 49 HA ILE 49 24.462 0.017 -3.774 359 HB ILE 49 HB ILE 49 23.681 2.885 -4.301 360 HG12 ILE 49 2HG1 ILE 49 21.661 1.593 -3.929 361 HG13 ILE 49 1HG1 ILE 49 21.828 1.926 -5.649 362 HG21 ILE 49 1HG2 ILE 49 24.893 0.699 -5.930 363 HG22 ILE 49 2HG2 ILE 49 25.320 2.407 -5.842 364 HG23 ILE 49 3HG2 ILE 49 23.873 1.904 -6.714 365 HD11 ILE 49 3HD1 ILE 49 21.651 -0.232 -6.072 366 HD12 ILE 49 1HD1 ILE 49 21.515 -0.566 -4.345 367 HD13 ILE 49 2HD1 ILE 49 23.100 -0.546 -5.118 368 H LYS 50 H LYS 50 26.510 0.656 -4.671 369 HA LYS 50 HA LYS 50 28.041 2.450 -2.903 370 HB2 LYS 50 2HB LYS 50 28.883 -0.145 -4.196 371 HB3 LYS 50 1HB LYS 50 30.020 0.985 -3.472 372 HG2 LYS 50 2HG LYS 50 29.625 -0.642 -1.835 373 HG3 LYS 50 1HG LYS 50 28.673 0.758 -1.338 374 HD2 LYS 50 2HD LYS 50 26.677 -0.262 -1.799 375 HD3 LYS 50 1HD LYS 50 27.367 -1.283 -3.061 376 HE2 LYS 50 2HE LYS 50 28.542 -2.571 -1.283 377 HE3 LYS 50 1HE LYS 50 27.676 -1.616 -0.081 378 HZ1 LYS 50 3HZ LYS 50 25.644 -2.458 -1.544 379 HZ2 LYS 50 1HZ LYS 50 26.249 -3.339 -0.233 380 HZ3 LYS 50 2HZ LYS 50 26.704 -3.747 -1.809 381 H LYS 51 H LYS 51 28.143 4.279 -4.093 382 HA LYS 51 HA LYS 51 28.754 4.132 -6.938 383 HB2 LYS 51 2HB LYS 51 28.165 6.506 -5.162 384 HB3 LYS 51 1HB LYS 51 28.400 6.580 -6.902 385 HG2 LYS 51 2HG LYS 51 26.356 4.668 -6.044 386 HG3 LYS 51 1HG LYS 51 25.998 6.351 -5.656 387 HD2 LYS 51 2HD LYS 51 25.184 6.413 -7.754 388 HD3 LYS 51 1HD LYS 51 26.880 6.590 -8.207 389 HE2 LYS 51 2HE LYS 51 26.010 3.816 -7.833 390 HE3 LYS 51 1HE LYS 51 25.191 4.662 -9.146 391 HZ1 LYS 51 3HZ LYS 51 27.192 3.545 -9.912 392 HZ2 LYS 51 1HZ LYS 51 28.134 4.426 -8.816 393 HZ3 LYS 51 2HZ LYS 51 27.344 5.222 -10.083 394 H GLU 52 H GLU 52 30.587 4.993 -7.891 395 HA GLU 52 HA GLU 52 32.807 5.569 -6.039 396 HB2 GLU 52 2HB GLU 52 33.101 4.508 -8.846 397 HB3 GLU 52 1HB GLU 52 34.319 4.566 -7.579 398 HG2 GLU 52 2HG GLU 52 33.709 2.340 -7.619 399 HG3 GLU 52 1HG GLU 52 32.750 2.990 -6.290 400 H ASN 53 H ASN 53 32.929 7.740 -5.967 401 HA ASN 53 HA ASN 53 33.061 9.176 -8.537 402 HB2 ASN 53 2HB ASN 53 32.492 11.200 -6.932 403 HB3 ASN 53 1HB ASN 53 31.219 10.168 -7.575 404 HD21 ASN 53 1HD2 ASN 53 33.508 10.069 -4.856 405 HD22 ASN 53 2HD2 ASN 53 32.330 9.653 -3.663 406 HA PRO 54 HA PRO 54 37.203 10.211 -7.332 407 HB2 PRO 54 2HB PRO 54 37.754 12.064 -9.195 408 HB3 PRO 54 1HB PRO 54 37.557 10.359 -9.613 409 HG2 PRO 54 2HG PRO 54 35.607 12.612 -9.887 410 HG3 PRO 54 1HG PRO 54 35.973 11.305 -11.027 411 HD2 PRO 54 2HD PRO 54 33.811 11.301 -9.344 412 HD3 PRO 54 1HD PRO 54 34.583 9.827 -9.965 413 H ASN 55 H ASN 55 34.630 12.543 -7.409 414 HA ASN 55 HA ASN 55 35.882 14.879 -6.636 415 HB2 ASN 55 2HB ASN 55 33.162 13.737 -6.201 416 HB3 ASN 55 1HB ASN 55 33.616 15.163 -5.271 417 HD21 ASN 55 1HD2 ASN 55 34.216 14.094 -8.602 418 HD22 ASN 55 2HD2 ASN 55 33.618 15.532 -9.351 419 H LEU 56 H LEU 56 35.206 12.020 -4.752 420 HA LEU 56 HA LEU 56 35.805 13.292 -2.228 421 HB2 LEU 56 2HB LEU 56 35.077 10.531 -3.106 422 HB3 LEU 56 1HB LEU 56 35.818 10.754 -1.532 423 HG LEU 56 HG LEU 56 33.996 12.299 -0.908 424 HD11 LEU 56 1HD1 LEU 56 32.972 13.275 -2.650 425 HD12 LEU 56 2HD1 LEU 56 31.949 11.840 -2.621 426 HD13 LEU 56 3HD1 LEU 56 33.313 11.929 -3.736 427 HD21 LEU 56 3HD2 LEU 56 33.407 10.305 -0.040 428 HD22 LEU 56 1HD2 LEU 56 33.628 9.455 -1.569 429 HD23 LEU 56 2HD2 LEU 56 32.147 10.369 -1.274 430 HA PRO 57 HA PRO 57 40.108 12.298 -2.092 431 HB2 PRO 57 2HB PRO 57 40.211 11.618 0.670 432 HB3 PRO 57 1HB PRO 57 40.480 13.202 -0.059 433 HG2 PRO 57 2HG PRO 57 38.349 12.529 1.598 434 HG3 PRO 57 1HG PRO 57 38.412 13.931 0.517 435 HD2 PRO 57 2HD PRO 57 37.077 11.289 0.123 436 HD3 PRO 57 1HD PRO 57 36.554 12.909 -0.386 437 H ALA 58 H ALA 58 38.354 9.933 -2.670 438 HA ALA 58 HA ALA 58 38.593 7.695 -2.970 439 HB1 ALA 58 1HB ALA 58 40.683 7.733 -3.843 440 HB2 ALA 58 2HB ALA 58 41.057 6.877 -2.348 441 HB3 ALA 58 3HB ALA 58 41.361 8.609 -2.470 442 H GLY 59 H GLY 59 38.128 5.884 -1.816 443 HA2 GLY 59 2HA GLY 59 37.612 4.596 0.011 444 HA3 GLY 59 1HA GLY 59 39.103 5.207 0.712 445 H GLN 60 H GLN 60 36.300 7.147 -0.185 446 HA GLN 60 HA GLN 60 35.993 7.850 2.657 447 HB2 GLN 60 2HB GLN 60 36.641 9.730 1.243 448 HB3 GLN 60 1HB GLN 60 35.272 9.431 0.183 449 HG2 GLN 60 2HG GLN 60 34.927 11.316 1.735 450 HG3 GLN 60 1HG GLN 60 33.726 10.037 1.907 451 HE21 GLN 60 1HE2 GLN 60 33.147 10.178 3.975 452 HE22 GLN 60 2HE2 GLN 60 34.226 10.081 5.320 453 H GLU 61 H GLU 61 33.954 7.920 3.590 454 HA GLU 61 HA GLU 61 31.775 6.740 1.995 455 HB2 GLU 61 2HB GLU 61 32.983 5.362 3.920 456 HB3 GLU 61 1HB GLU 61 31.887 6.284 4.939 457 HG2 GLU 61 2HG GLU 61 30.690 4.981 2.581 458 HG3 GLU 61 1HG GLU 61 31.270 3.916 3.860 459 H ASN 62 H ASN 62 30.233 8.199 1.707 460 HA ASN 62 HA ASN 62 29.613 10.043 3.921 461 HB2 ASN 62 2HB ASN 62 30.587 11.195 1.964 462 HB3 ASN 62 1HB ASN 62 29.298 10.548 0.954 463 HD21 ASN 62 1HD2 ASN 62 28.229 12.336 0.392 464 HD22 ASN 62 2HD2 ASN 62 27.508 13.449 1.499 465 H ILE 63 H ILE 63 27.711 9.671 4.829 466 HA ILE 63 HA ILE 63 25.734 8.033 3.482 467 HB ILE 63 HB ILE 63 25.587 9.293 6.224 468 HG12 ILE 63 2HG1 ILE 63 27.535 7.774 5.957 469 HG13 ILE 63 1HG1 ILE 63 26.345 7.163 7.102 470 HG21 ILE 63 1HG2 ILE 63 24.075 6.917 5.158 471 HG22 ILE 63 2HG2 ILE 63 23.440 8.562 5.143 472 HG23 ILE 63 3HG2 ILE 63 23.814 7.777 6.677 473 HD11 ILE 63 3HD1 ILE 63 26.868 6.224 4.302 474 HD12 ILE 63 1HD1 ILE 63 25.438 5.755 5.223 475 HD13 ILE 63 2HD1 ILE 63 27.045 5.326 5.808 476 H ILE 64 H ILE 64 24.884 9.305 1.850 477 HA ILE 64 HA ILE 64 23.928 11.967 2.333 478 HB ILE 64 HB ILE 64 23.234 10.200 -0.013 479 HG12 ILE 64 2HG1 ILE 64 25.628 12.019 0.343 480 HG13 ILE 64 1HG1 ILE 64 25.673 10.260 0.275 481 HG21 ILE 64 1HG2 ILE 64 23.625 13.081 -0.381 482 HG22 ILE 64 2HG2 ILE 64 22.268 12.653 0.662 483 HG23 ILE 64 3HG2 ILE 64 22.351 12.019 -0.981 484 HD11 ILE 64 3HD1 ILE 64 24.497 11.783 -1.998 485 HD12 ILE 64 1HD1 ILE 64 25.284 10.205 -1.985 486 HD13 ILE 64 2HD1 ILE 64 26.248 11.673 -1.827 487 H THR 65 H THR 65 22.424 8.787 1.886 488 HA THR 65 HA THR 65 20.115 9.668 3.408 489 HB THR 65 HB THR 65 19.423 8.280 0.879 490 HG1 THR 65 1HG THR 65 20.111 11.028 0.988 491 HG21 THR 65 3HG2 THR 65 18.064 9.767 2.892 492 HG22 THR 65 1HG2 THR 65 17.399 8.852 1.537 493 HG23 THR 65 2HG2 THR 65 17.833 10.549 1.328 494 H ALA 66 H ALA 66 20.710 8.161 4.953 495 HA ALA 66 HA ALA 66 21.545 5.580 4.673 496 HB1 ALA 66 1HB ALA 66 19.851 6.899 6.754 497 HB2 ALA 66 2HB ALA 66 21.535 6.382 6.845 498 HB3 ALA 66 3HB ALA 66 20.243 5.183 6.866 499 H GLY 67 H GLY 67 20.634 3.570 4.418 500 HA2 GLY 67 2HA GLY 67 18.018 3.545 3.119 501 HA3 GLY 67 1HA GLY 67 19.187 2.231 3.129 502 H VAL 68 H VAL 68 16.199 2.820 4.032 503 HA VAL 68 HA VAL 68 16.391 1.055 6.366 504 HB VAL 68 HB VAL 68 14.537 3.437 6.295 505 HG11 VAL 68 1HG1 VAL 68 14.356 2.882 8.747 506 HG12 VAL 68 2HG1 VAL 68 15.194 1.372 8.384 507 HG13 VAL 68 3HG1 VAL 68 13.628 1.712 7.644 508 HG21 VAL 68 3HG2 VAL 68 17.240 3.099 7.562 509 HG22 VAL 68 1HG2 VAL 68 16.064 4.270 8.157 510 HG23 VAL 68 2HG2 VAL 68 16.674 4.393 6.507 511 H LYS 69 H LYS 69 14.993 -0.585 6.315 512 HA LYS 69 HA LYS 69 13.403 -1.069 4.045 513 HB2 LYS 69 2HB LYS 69 12.489 -2.978 5.432 514 HB3 LYS 69 1HB LYS 69 14.235 -2.949 5.224 515 HG2 LYS 69 2HG LYS 69 13.328 -1.527 7.604 516 HG3 LYS 69 1HG LYS 69 12.914 -3.243 7.599 517 HD2 LYS 69 2HD LYS 69 15.129 -3.910 7.545 518 HD3 LYS 69 1HD LYS 69 15.679 -2.378 6.861 519 HE2 LYS 69 2HE LYS 69 15.868 -1.397 8.883 520 HE3 LYS 69 1HE LYS 69 14.429 -2.194 9.518 521 HZ1 LYS 69 3HZ LYS 69 15.776 -4.250 9.698 522 HZ2 LYS 69 1HZ LYS 69 16.323 -2.996 10.695 523 HZ3 LYS 69 2HZ LYS 69 17.146 -3.360 9.262 524 H GLY 70 H GLY 70 11.596 -0.033 3.537 525 HA2 GLY 70 2HA GLY 70 9.980 1.308 5.493 526 HA3 GLY 70 1HA GLY 70 9.643 1.176 3.771 527 H GLU 71 H GLU 71 7.481 0.613 3.935 528 HA GLU 71 HA GLU 71 6.889 -2.103 4.228 529 HB2 GLU 71 2HB GLU 71 7.182 -1.079 6.702 530 HB3 GLU 71 1HB GLU 71 5.500 -0.654 6.419 531 HG2 GLU 71 2HG GLU 71 4.992 -3.004 5.956 532 HG3 GLU 71 1HG GLU 71 6.674 -3.422 6.266 533 H ARG 72 H ARG 72 5.514 -2.088 2.574 534 HA ARG 72 HA ARG 72 3.619 0.112 2.391 535 HB2 ARG 72 2HB ARG 72 3.719 -0.041 0.163 536 HB3 ARG 72 1HB ARG 72 5.152 -0.999 0.426 537 HG2 ARG 72 2HG ARG 72 3.968 -3.017 0.080 538 HG3 ARG 72 1HG ARG 72 2.410 -2.200 0.179 539 HD2 ARG 72 2HD ARG 72 2.555 -2.313 -2.073 540 HD3 ARG 72 1HD ARG 72 3.465 -0.824 -1.845 541 HE ARG 72 HE ARG 72 4.539 -3.443 -2.553 542 HH11 ARG 72 1HH1 ARG 72 5.166 -0.100 -1.751 543 HH12 ARG 72 2HH1 ARG 72 6.763 -0.114 -2.418 544 HH21 ARG 72 1HH2 ARG 72 6.637 -3.457 -3.423 545 HH22 ARG 72 2HH2 ARG 72 7.598 -2.017 -3.366 546 H THR 73 H THR 73 1.511 -0.116 2.461 547 HA THR 73 HA THR 73 0.506 -2.460 3.755 548 HB THR 73 HB THR 73 -0.895 0.001 2.718 549 HG1 THR 73 1HG THR 73 -0.424 0.806 4.589 550 HG21 THR 73 3HG2 THR 73 -2.137 -1.768 4.731 551 HG22 THR 73 1HG2 THR 73 -2.204 -2.243 3.031 552 HG23 THR 73 2HG2 THR 73 -2.879 -0.691 3.543 553 H HIS 74 H HIS 74 -0.637 -4.093 2.913 554 HA HIS 74 HA HIS 74 -1.120 -4.020 0.032 555 HB2 HIS 74 2HB HIS 74 0.130 -6.039 1.760 556 HB3 HIS 74 1HB HIS 74 -0.973 -6.666 0.527 557 HD1 HIS 74 1HD HIS 74 1.991 -4.422 0.903 558 HD2 HIS 74 2HD HIS 74 0.042 -6.676 -1.980 559 HE1 HIS 74 1HE HIS 74 3.464 -4.312 -1.158 560 HE2 HIS 74 2HE HIS 74 2.097 -5.438 -2.949 561 H TYR 75 H TYR 75 -3.071 -4.089 -0.615 562 HA TYR 75 HA TYR 75 -5.161 -4.760 1.269 563 HB2 TYR 75 2HB TYR 75 -5.942 -3.900 -1.438 564 HB3 TYR 75 1HB TYR 75 -6.528 -3.361 0.124 565 HD1 TYR 75 1HD TYR 75 -3.295 -2.703 0.766 566 HD2 TYR 75 2HD TYR 75 -6.249 -1.499 -2.056 567 HE1 TYR 75 1HE TYR 75 -2.074 -0.594 0.430 568 HE2 TYR 75 2HE TYR 75 -5.064 0.624 -2.377 569 HH TYR 75 HH TYR 75 -3.487 2.060 -1.066 570 H ILE 76 H ILE 76 -5.848 -6.745 1.385 571 HA ILE 76 HA ILE 76 -5.648 -8.513 -0.933 572 HB ILE 76 HB ILE 76 -6.259 -9.129 1.962 573 HG12 ILE 76 2HG1 ILE 76 -3.983 -10.210 1.865 574 HG13 ILE 76 1HG1 ILE 76 -3.757 -9.448 0.296 575 HG21 ILE 76 1HG2 ILE 76 -6.587 -10.707 -0.430 576 HG22 ILE 76 2HG2 ILE 76 -7.049 -11.075 1.232 577 HG23 ILE 76 3HG2 ILE 76 -5.422 -11.453 0.664 578 HD11 ILE 76 3HD1 ILE 76 -4.526 -7.688 2.541 579 HD12 ILE 76 1HD1 ILE 76 -3.423 -7.404 1.195 580 HD13 ILE 76 2HD1 ILE 76 -2.901 -8.375 2.571 581 H SER 77 H SER 77 -7.402 -9.573 -1.821 582 HA SER 77 HA SER 77 -10.006 -8.388 -1.218 583 HB2 SER 77 2HB SER 77 -9.569 -8.273 -3.528 584 HB3 SER 77 1HB SER 77 -8.908 -9.907 -3.575 585 HG SER 77 HG SER 77 -11.577 -9.061 -3.513 586 H VAL 78 H VAL 78 -11.028 -9.427 0.380 587 HA VAL 78 HA VAL 78 -10.759 -12.274 0.763 588 HB VAL 78 HB VAL 78 -12.660 -10.402 2.175 589 HG11 VAL 78 1HG1 VAL 78 -11.438 -12.830 3.394 590 HG12 VAL 78 2HG1 VAL 78 -12.784 -13.023 2.272 591 HG13 VAL 78 3HG1 VAL 78 -12.985 -12.055 3.732 592 HG21 VAL 78 3HG2 VAL 78 -9.910 -11.186 3.113 593 HG22 VAL 78 1HG2 VAL 78 -11.000 -9.992 3.815 594 HG23 VAL 78 2HG2 VAL 78 -10.243 -9.684 2.253 595 H LEU 79 H LEU 79 -11.761 -13.533 -0.687 596 HA LEU 79 HA LEU 79 -14.442 -12.814 -1.612 597 HB2 LEU 79 2HB LEU 79 -12.507 -13.551 -3.147 598 HB3 LEU 79 1HB LEU 79 -12.834 -15.169 -2.556 599 HG LEU 79 HG LEU 79 -15.099 -15.075 -3.446 600 HD11 LEU 79 1HD1 LEU 79 -15.631 -13.111 -4.981 601 HD12 LEU 79 2HD1 LEU 79 -14.335 -12.258 -4.140 602 HD13 LEU 79 3HD1 LEU 79 -15.740 -12.832 -3.243 603 HD21 LEU 79 3HD2 LEU 79 -13.368 -15.905 -4.916 604 HD22 LEU 79 1HD2 LEU 79 -12.984 -14.265 -5.437 605 HD23 LEU 79 2HD2 LEU 79 -14.543 -14.977 -5.849 606 H THR 80 H THR 80 -15.643 -13.318 0.239 607 HA THR 80 HA THR 80 -15.476 -15.814 1.578 608 HB THR 80 HB THR 80 -18.021 -14.269 1.613 609 HG1 THR 80 1HG THR 80 -17.039 -12.694 2.943 610 HG21 THR 80 3HG2 THR 80 -16.778 -14.605 4.153 611 HG22 THR 80 1HG2 THR 80 -16.768 -16.143 3.290 612 HG23 THR 80 2HG2 THR 80 -18.288 -15.287 3.551 613 H GLU 81 H GLU 81 -16.216 -17.735 0.973 614 HA GLU 81 HA GLU 81 -18.595 -17.912 -0.711 615 HB2 GLU 81 2HB GLU 81 -16.093 -19.447 -1.404 616 HB3 GLU 81 1HB GLU 81 -17.585 -19.349 -2.331 617 HG2 GLU 81 2HG GLU 81 -16.973 -16.766 -2.307 618 HG3 GLU 81 1HG GLU 81 -15.348 -17.422 -2.115 619 H ASN 82 H ASN 82 -19.884 -19.024 0.619 620 HA ASN 82 HA ASN 82 -20.736 -20.746 1.833 621 HB2 ASN 82 2HB ASN 82 -18.340 -22.314 0.858 622 HB3 ASN 82 1HB ASN 82 -19.829 -22.980 1.521 623 HD21 ASN 82 1HD2 ASN 82 -18.217 -22.506 -1.244 624 HD22 ASN 82 2HD2 ASN 82 -19.534 -22.417 -2.359 625 H GLY 83 H GLY 83 -18.734 -18.862 2.950 626 HA2 GLY 83 2HA GLY 83 -18.071 -18.567 5.166 627 HA3 GLY 83 1HA GLY 83 -18.324 -20.282 5.445 628 H LYS 84 H LYS 84 -16.303 -18.728 2.980 629 HA LYS 84 HA LYS 84 -13.908 -19.641 4.389 630 HB2 LYS 84 2HB LYS 84 -13.006 -20.778 2.491 631 HB3 LYS 84 1HB LYS 84 -14.621 -21.415 2.764 632 HG2 LYS 84 2HG LYS 84 -14.880 -21.103 0.567 633 HG3 LYS 84 1HG LYS 84 -15.135 -19.412 1.003 634 HD2 LYS 84 2HD LYS 84 -12.940 -18.819 0.436 635 HD3 LYS 84 1HD LYS 84 -12.389 -20.496 0.454 636 HE2 LYS 84 2HE LYS 84 -14.129 -19.130 -1.585 637 HE3 LYS 84 1HE LYS 84 -12.539 -19.854 -1.824 638 HZ1 LYS 84 3HZ LYS 84 -13.669 -22.014 -1.138 639 HZ2 LYS 84 1HZ LYS 84 -14.026 -21.407 -2.677 640 HZ3 LYS 84 2HZ LYS 84 -15.131 -21.209 -1.413 641 H THR 85 H THR 85 -12.469 -18.058 4.475 642 HA THR 85 HA THR 85 -12.696 -15.844 2.563 643 HB THR 85 HB THR 85 -11.024 -14.818 4.334 644 HG1 THR 85 1HG THR 85 -12.425 -16.694 5.923 645 HG21 THR 85 3HG2 THR 85 -13.722 -15.076 5.498 646 HG22 THR 85 1HG2 THR 85 -13.609 -14.389 3.878 647 HG23 THR 85 2HG2 THR 85 -12.732 -13.642 5.214 648 H THR 86 H THR 86 -11.457 -16.202 0.826 649 HA THR 86 HA THR 86 -8.886 -17.526 1.078 650 HB THR 86 HB THR 86 -8.834 -17.536 -1.325 651 HG1 THR 86 1HG THR 86 -10.460 -16.422 -2.507 652 HG21 THR 86 3HG2 THR 86 -10.621 -18.964 -0.054 653 HG22 THR 86 1HG2 THR 86 -10.598 -18.895 -1.815 654 HG23 THR 86 2HG2 THR 86 -11.750 -17.914 -0.909 655 H GLU 87 H GLU 87 -7.413 -16.207 2.014 656 HA GLU 87 HA GLU 87 -7.231 -13.412 1.428 657 HB2 GLU 87 2HB GLU 87 -6.418 -14.910 3.515 658 HB3 GLU 87 1HB GLU 87 -4.905 -14.802 2.628 659 HG2 GLU 87 2HG GLU 87 -4.647 -12.604 3.060 660 HG3 GLU 87 1HG GLU 87 -6.378 -12.276 3.000 661 H THR 88 H THR 88 -6.789 -12.987 -0.680 662 HA THR 88 HA THR 88 -4.202 -13.958 -1.692 663 HB THR 88 HB THR 88 -6.774 -13.670 -3.253 664 HG1 THR 88 1HG THR 88 -5.162 -15.938 -2.710 665 HG21 THR 88 3HG2 THR 88 -3.968 -14.040 -4.169 666 HG22 THR 88 1HG2 THR 88 -5.275 -13.095 -4.882 667 HG23 THR 88 2HG2 THR 88 -5.277 -14.851 -5.030 668 H VAL 89 H VAL 89 -2.850 -12.372 -2.225 669 HA VAL 89 HA VAL 89 -3.336 -9.683 -1.856 670 HB VAL 89 HB VAL 89 -1.076 -10.627 -2.041 671 HG11 VAL 89 1HG1 VAL 89 -1.930 -11.899 -4.254 672 HG12 VAL 89 2HG1 VAL 89 -0.229 -11.625 -3.879 673 HG13 VAL 89 3HG1 VAL 89 -1.071 -10.545 -4.989 674 HG21 VAL 89 3HG2 VAL 89 -0.052 -8.757 -3.051 675 HG22 VAL 89 1HG2 VAL 89 -1.600 -8.176 -2.439 676 HG23 VAL 89 2HG2 VAL 89 -1.402 -8.516 -4.159 677 H LEU 90 H LEU 90 -4.100 -8.022 -3.069 678 HA LEU 90 HA LEU 90 -4.934 -8.640 -5.826 679 HB2 LEU 90 2HB LEU 90 -6.605 -8.130 -3.649 680 HB3 LEU 90 1HB LEU 90 -6.584 -6.627 -4.552 681 HG LEU 90 HG LEU 90 -8.443 -8.167 -5.171 682 HD11 LEU 90 1HD1 LEU 90 -6.698 -7.917 -7.570 683 HD12 LEU 90 2HD1 LEU 90 -7.184 -6.455 -6.709 684 HD13 LEU 90 3HD1 LEU 90 -8.409 -7.537 -7.372 685 HD21 LEU 90 3HD2 LEU 90 -6.652 -9.859 -6.778 686 HD22 LEU 90 1HD2 LEU 90 -8.133 -10.270 -5.912 687 HD23 LEU 90 2HD2 LEU 90 -6.606 -10.146 -5.038 688 H ASP 91 H ASP 91 -4.978 -5.706 -3.799 689 HA ASP 91 HA ASP 91 -3.109 -4.445 -5.677 690 HB2 ASP 91 2HB ASP 91 -5.733 -3.969 -5.967 691 HB3 ASP 91 1HB ASP 91 -5.375 -2.773 -4.724 692 H SER 92 H SER 92 -1.692 -3.040 -4.776 693 HA SER 92 HA SER 92 -2.139 -2.085 -2.051 694 HB2 SER 92 2HB SER 92 -0.147 -2.853 -1.152 695 HB3 SER 92 1HB SER 92 -0.831 -4.257 -1.979 696 HG SER 92 HG SER 92 0.687 -4.118 -3.518 697 H GLN 93 H GLN 93 -0.500 -0.554 -1.378 698 HA GLN 93 HA GLN 93 0.654 0.981 -3.603 699 HB2 GLN 93 2HB GLN 93 -1.072 1.897 -1.318 700 HB3 GLN 93 1HB GLN 93 0.054 3.006 -2.097 701 HG2 GLN 93 2HG GLN 93 -2.254 1.570 -3.386 702 HG3 GLN 93 1HG GLN 93 -2.125 3.296 -3.050 703 HE21 GLN 93 1HE2 GLN 93 -1.381 0.757 -5.210 704 HE22 GLN 93 2HE2 GLN 93 -0.563 1.701 -6.403 705 H VAL 94 H VAL 94 2.352 2.562 -2.732 706 HA VAL 94 HA VAL 94 3.971 1.121 -0.803 707 HB VAL 94 HB VAL 94 4.643 3.744 -2.138 708 HG11 VAL 94 1HG1 VAL 94 6.004 3.100 -0.196 709 HG12 VAL 94 2HG1 VAL 94 6.943 3.109 -1.690 710 HG13 VAL 94 3HG1 VAL 94 6.405 1.579 -0.995 711 HG21 VAL 94 3HG2 VAL 94 6.070 1.893 -3.530 712 HG22 VAL 94 1HG2 VAL 94 4.552 2.607 -4.074 713 HG23 VAL 94 2HG2 VAL 94 4.550 1.037 -3.269 714 H THR 95 H THR 95 3.303 1.434 1.234 715 HA THR 95 HA THR 95 2.715 4.200 2.035 716 HB THR 95 HB THR 95 1.011 3.410 3.498 717 HG1 THR 95 1HG THR 95 1.778 1.621 4.428 718 HG21 THR 95 3HG2 THR 95 -0.398 3.179 1.805 719 HG22 THR 95 1HG2 THR 95 -0.002 1.454 1.739 720 HG23 THR 95 2HG2 THR 95 0.891 2.617 0.745 721 H LYS 96 H LYS 96 4.923 4.385 2.475 722 HA LYS 96 HA LYS 96 5.749 4.595 4.989 723 HB2 LYS 96 2HB LYS 96 5.934 1.754 4.195 724 HB3 LYS 96 1HB LYS 96 7.351 2.413 4.994 725 HG2 LYS 96 2HG LYS 96 4.774 3.012 6.281 726 HG3 LYS 96 1HG LYS 96 5.266 1.318 6.292 727 HD2 LYS 96 2HD LYS 96 7.150 3.505 7.114 728 HD3 LYS 96 1HD LYS 96 6.003 2.801 8.254 729 HE2 LYS 96 2HE LYS 96 7.603 0.890 6.678 730 HE3 LYS 96 1HE LYS 96 8.493 1.854 7.855 731 HZ1 LYS 96 3HZ LYS 96 7.651 -0.275 8.742 732 HZ2 LYS 96 1HZ LYS 96 6.067 0.268 8.498 733 HZ3 LYS 96 2HZ LYS 96 7.077 1.069 9.593 734 H GLU 97 H GLU 97 6.641 3.515 1.804 735 HA GLU 97 HA GLU 97 8.337 4.072 0.404 736 HB2 GLU 97 2HB GLU 97 8.237 6.360 2.296 737 HB3 GLU 97 1HB GLU 97 9.679 6.214 1.302 738 HG2 GLU 97 2HG GLU 97 7.838 5.898 -0.597 739 HG3 GLU 97 1HG GLU 97 6.900 6.866 0.538 740 H VAL 98 H VAL 98 9.743 2.401 0.528 741 HA VAL 98 HA VAL 98 11.409 1.927 2.795 742 HB VAL 98 HB VAL 98 10.787 0.060 1.379 743 HG11 VAL 98 1HG1 VAL 98 12.449 0.390 -0.886 744 HG12 VAL 98 2HG1 VAL 98 11.461 1.843 -0.736 745 HG13 VAL 98 3HG1 VAL 98 10.692 0.259 -0.828 746 HG21 VAL 98 3HG2 VAL 98 13.612 0.045 0.684 747 HG22 VAL 98 1HG2 VAL 98 12.704 -1.006 1.769 748 HG23 VAL 98 2HG2 VAL 98 13.308 0.546 2.347 749 H ILE 99 H ILE 99 12.825 3.444 3.314 750 HA ILE 99 HA ILE 99 14.127 5.166 1.501 751 HB ILE 99 HB ILE 99 15.110 4.433 4.260 752 HG12 ILE 99 2HG1 ILE 99 12.775 5.070 4.426 753 HG13 ILE 99 1HG1 ILE 99 13.774 6.387 5.028 754 HG21 ILE 99 1HG2 ILE 99 16.609 5.743 2.712 755 HG22 ILE 99 2HG2 ILE 99 16.230 6.519 4.249 756 HG23 ILE 99 3HG2 ILE 99 15.408 7.033 2.776 757 HD11 ILE 99 3HD1 ILE 99 11.854 6.368 2.890 758 HD12 ILE 99 1HD1 ILE 99 13.426 6.933 2.326 759 HD13 ILE 99 2HD1 ILE 99 12.639 7.729 3.687 760 H ASN 100 H ASN 100 15.924 4.971 0.323 761 HA ASN 100 HA ASN 100 17.399 2.447 0.487 762 HB2 ASN 100 2HB ASN 100 17.006 4.494 -1.670 763 HB3 ASN 100 1HB ASN 100 18.382 3.399 -1.740 764 HD21 ASN 100 1HD2 ASN 100 17.782 2.181 -3.441 765 HD22 ASN 100 2HD2 ASN 100 16.372 1.183 -3.475 766 H GLN 101 H GLN 101 19.563 2.334 0.873 767 HA GLN 101 HA GLN 101 20.768 4.545 2.228 768 HB2 GLN 101 2HB GLN 101 21.209 2.312 3.015 769 HB3 GLN 101 1HB GLN 101 21.824 1.831 1.443 770 HG2 GLN 101 2HG GLN 101 23.569 2.229 3.170 771 HG3 GLN 101 1HG GLN 101 23.764 3.174 1.696 772 HE21 GLN 101 1HE2 GLN 101 23.683 3.271 5.025 773 HE22 GLN 101 2HE2 GLN 101 23.529 4.979 5.239 774 H VAL 102 H VAL 102 21.359 6.246 1.015 775 HA VAL 102 HA VAL 102 22.753 5.777 -1.521 776 HB VAL 102 HB VAL 102 21.803 8.418 -0.409 777 HG11 VAL 102 1HG1 VAL 102 23.195 9.082 -2.064 778 HG12 VAL 102 2HG1 VAL 102 21.802 8.706 -3.078 779 HG13 VAL 102 3HG1 VAL 102 23.109 7.534 -2.906 780 HG21 VAL 102 3HG2 VAL 102 19.896 8.165 -1.980 781 HG22 VAL 102 1HG2 VAL 102 19.873 7.004 -0.654 782 HG23 VAL 102 2HG2 VAL 102 20.396 6.497 -2.258 783 H VAL 103 H VAL 103 24.850 5.344 -1.039 784 HA VAL 103 HA VAL 103 26.300 7.391 0.512 785 HB VAL 103 HB VAL 103 26.198 5.275 1.753 786 HG11 VAL 103 1HG1 VAL 103 26.310 4.031 -0.641 787 HG12 VAL 103 2HG1 VAL 103 26.658 3.244 0.898 788 HG13 VAL 103 3HG1 VAL 103 27.979 3.848 -0.103 789 HG21 VAL 103 3HG2 VAL 103 28.644 4.965 2.071 790 HG22 VAL 103 1HG2 VAL 103 28.136 6.654 2.091 791 HG23 VAL 103 2HG2 VAL 103 28.916 5.986 0.658 792 H GLU 104 H GLU 104 28.363 7.966 -0.202 793 HA GLU 104 HA GLU 104 28.945 7.201 -2.986 794 HB2 GLU 104 2HB GLU 104 29.542 9.747 -1.473 795 HB3 GLU 104 1HB GLU 104 30.204 9.384 -3.062 796 HG2 GLU 104 2HG GLU 104 27.633 9.005 -3.614 797 HG3 GLU 104 1HG GLU 104 27.454 10.137 -2.273 798 H VAL 105 H VAL 105 30.996 6.573 -3.561 799 HA VAL 105 HA VAL 105 32.922 6.240 -1.350 800 HB VAL 105 HB VAL 105 32.640 4.381 -3.712 801 HG11 VAL 105 1HG1 VAL 105 34.291 4.361 -1.207 802 HG12 VAL 105 2HG1 VAL 105 34.822 4.208 -2.881 803 HG13 VAL 105 3HG1 VAL 105 33.952 2.883 -2.107 804 HG21 VAL 105 3HG2 VAL 105 30.638 4.096 -2.495 805 HG22 VAL 105 1HG2 VAL 105 31.474 4.210 -0.945 806 HG23 VAL 105 2HG2 VAL 105 31.704 2.793 -1.971 807 H GLY 106 H GLY 106 34.991 6.860 -1.695 808 HA2 GLY 106 2HA GLY 106 35.545 8.518 -3.961 809 HA3 GLY 106 1HA GLY 106 36.666 8.113 -2.671 810 H ALA 107 H ALA 107 35.703 7.492 -5.885 811 HA ALA 107 HA ALA 107 36.598 6.239 -7.559 812 HB1 ALA 107 1HB ALA 107 38.990 5.437 -6.030 813 HB2 ALA 107 2HB ALA 107 38.724 7.172 -6.201 814 HB3 ALA 107 3HB ALA 107 38.853 6.154 -7.635 815 HA PRO 108 HA PRO 108 35.453 2.069 -6.685 816 HB2 PRO 108 2HB PRO 108 36.544 0.771 -8.799 817 HB3 PRO 108 1HB PRO 108 35.129 1.821 -8.950 818 HG2 PRO 108 2HG PRO 108 38.002 2.415 -9.550 819 HG3 PRO 108 1HG PRO 108 36.554 2.830 -10.487 820 HD2 PRO 108 2HD PRO 108 37.813 4.609 -8.872 821 HD3 PRO 108 1HD PRO 108 36.061 4.647 -9.156 822 H VAL 109 H VAL 109 36.677 -0.269 -7.089 823 HA VAL 109 HA VAL 109 39.000 -0.107 -5.312 824 HB VAL 109 HB VAL 109 37.459 -2.579 -6.102 825 HG11 VAL 109 1HG1 VAL 109 39.694 -1.991 -4.250 826 HG12 VAL 109 2HG1 VAL 109 39.361 -3.436 -5.205 827 HG13 VAL 109 3HG1 VAL 109 38.479 -3.145 -3.707 828 HG21 VAL 109 3HG2 VAL 109 36.583 -2.244 -3.661 829 HG22 VAL 109 1HG2 VAL 109 35.814 -1.397 -5.004 830 HG23 VAL 109 2HG2 VAL 109 36.963 -0.549 -3.970 831 H THR 110 H THR 110 38.029 -1.149 -8.502 832 HA THR 110 HA THR 110 40.629 -2.365 -9.015 833 HB THR 110 HB THR 110 38.734 -3.578 -9.869 834 HG1 THR 110 1HG THR 110 39.367 -3.747 -11.988 835 HG21 THR 110 3HG2 THR 110 37.331 -2.608 -11.690 836 HG22 THR 110 1HG2 THR 110 37.981 -1.026 -11.261 837 HG23 THR 110 2HG2 THR 110 37.037 -1.940 -10.086 838 H HIS 111 H HIS 111 38.680 0.396 -10.027 839 HA HIS 111 HA HIS 111 40.897 1.370 -11.676 840 HB2 HIS 111 2HB HIS 111 37.966 1.857 -11.612 841 HB3 HIS 111 1HB HIS 111 38.987 3.203 -12.104 842 HD1 HIS 111 1HD HIS 111 37.985 -0.265 -13.148 843 HD2 HIS 111 2HD HIS 111 40.100 2.988 -14.632 844 HE1 HIS 111 1HE HIS 111 38.392 -0.779 -15.576 845 HE2 HIS 111 2HE HIS 111 39.601 1.241 -16.472 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -22.928 -25.984 -22.827 2 H2 MET 1 2HT MET 1 -23.534 -27.224 -23.847 3 H3 MET 1 3HT MET 1 -23.980 -27.177 -22.189 4 HA MET 1 HA MET 1 -25.297 -25.343 -22.452 5 HB2 MET 1 2HB MET 1 -23.830 -25.051 -25.072 6 HB3 MET 1 1HB MET 1 -25.299 -24.155 -24.716 7 HG2 MET 1 2HG MET 1 -24.268 -22.757 -23.287 8 HG3 MET 1 1HG MET 1 -23.184 -24.007 -22.677 9 HE1 MET 1 2HE MET 1 -20.123 -23.891 -24.790 10 HE2 MET 1 3HE MET 1 -21.399 -25.041 -25.190 11 HE3 MET 1 1HE MET 1 -21.065 -24.645 -23.503 12 H GLY 2 H GLY 2 -25.456 -28.217 -23.038 13 HA2 GLY 2 2HA GLY 2 -27.447 -29.402 -23.539 14 HA3 GLY 2 1HA GLY 2 -27.906 -28.115 -24.643 15 H SER 3 H SER 3 -25.210 -28.096 -25.875 16 HA SER 3 HA SER 3 -25.693 -30.269 -27.746 17 HB2 SER 3 2HB SER 3 -24.262 -29.119 -29.250 18 HB3 SER 3 1HB SER 3 -25.194 -27.861 -28.438 19 HG SER 3 HG SER 3 -22.898 -27.451 -28.571 20 H SER 4 H SER 4 -23.226 -30.823 -28.739 21 HA SER 4 HA SER 4 -21.420 -32.177 -28.452 22 HB2 SER 4 2HB SER 4 -20.743 -30.156 -27.022 23 HB3 SER 4 1HB SER 4 -21.203 -31.136 -25.630 24 HG SER 4 HG SER 4 -19.471 -32.316 -25.886 25 H HIS 5 H HIS 5 -21.814 -34.282 -28.386 26 HA HIS 5 HA HIS 5 -23.638 -35.545 -26.680 27 HB2 HIS 5 2HB HIS 5 -21.541 -36.440 -28.585 28 HB3 HIS 5 1HB HIS 5 -22.100 -37.623 -27.407 29 HD1 HIS 5 1HD HIS 5 -22.884 -38.686 -29.862 30 HD2 HIS 5 2HD HIS 5 -25.063 -35.507 -28.309 31 HE1 HIS 5 1HE HIS 5 -25.099 -38.745 -31.050 32 HE2 HIS 5 2HE HIS 5 -26.432 -36.865 -30.032 33 H HIS 6 H HIS 6 -22.664 -37.690 -25.493 34 HA HIS 6 HA HIS 6 -21.597 -36.756 -23.081 35 HB2 HIS 6 2HB HIS 6 -21.853 -39.513 -24.265 36 HB3 HIS 6 1HB HIS 6 -21.132 -39.256 -22.680 37 HD1 HIS 6 1HD HIS 6 -24.309 -39.831 -24.281 38 HD2 HIS 6 2HD HIS 6 -23.019 -37.867 -20.854 39 HE1 HIS 6 1HE HIS 6 -26.356 -39.574 -22.843 40 HE2 HIS 6 2HE HIS 6 -25.566 -38.308 -20.812 41 H HIS 7 H HIS 7 -19.555 -37.018 -22.118 42 HA HIS 7 HA HIS 7 -17.354 -36.447 -23.751 43 HB2 HIS 7 2HB HIS 7 -17.819 -36.235 -21.109 44 HB3 HIS 7 1HB HIS 7 -16.821 -37.685 -21.108 45 HD1 HIS 7 1HD HIS 7 -16.435 -34.539 -23.206 46 HD2 HIS 7 2HD HIS 7 -14.388 -36.758 -20.351 47 HE1 HIS 7 1HE HIS 7 -14.181 -33.445 -22.993 48 HE2 HIS 7 2HE HIS 7 -12.930 -34.855 -21.322 49 H HIS 8 H HIS 8 -15.247 -37.791 -23.554 50 HA HIS 8 HA HIS 8 -15.824 -40.651 -23.895 51 HB2 HIS 8 2HB HIS 8 -14.627 -38.769 -25.861 52 HB3 HIS 8 1HB HIS 8 -13.908 -40.373 -25.749 53 HD1 HIS 8 1HD HIS 8 -14.793 -41.661 -27.665 54 HD2 HIS 8 2HD HIS 8 -17.752 -39.397 -25.823 55 HE1 HIS 8 1HE HIS 8 -16.931 -42.260 -28.846 56 HE2 HIS 8 2HE HIS 8 -18.691 -40.810 -27.776 57 H HIS 9 H HIS 9 -13.448 -41.709 -24.348 58 HA HIS 9 HA HIS 9 -11.928 -41.003 -21.949 59 HB2 HIS 9 2HB HIS 9 -12.718 -43.350 -22.248 60 HB3 HIS 9 1HB HIS 9 -11.701 -43.472 -23.679 61 HD1 HIS 9 1HD HIS 9 -9.960 -41.544 -21.187 62 HD2 HIS 9 2HD HIS 9 -10.552 -45.589 -21.931 63 HE1 HIS 9 1HE HIS 9 -8.166 -42.735 -19.890 64 HE2 HIS 9 2HE HIS 9 -8.492 -45.176 -20.421 65 H SER 10 H SER 10 -11.726 -39.406 -24.355 66 HA SER 10 HA SER 10 -8.860 -39.791 -24.896 67 HB2 SER 10 2HB SER 10 -10.805 -38.750 -26.957 68 HB3 SER 10 1HB SER 10 -9.130 -39.246 -27.200 69 HG SER 10 HG SER 10 -10.936 -40.768 -27.780 70 H SER 11 H SER 11 -7.929 -38.181 -23.798 71 HA SER 11 HA SER 11 -8.381 -35.476 -24.583 72 HB2 SER 11 2HB SER 11 -8.803 -34.846 -22.045 73 HB3 SER 11 1HB SER 11 -10.146 -35.255 -23.110 74 HG SER 11 HG SER 11 -10.469 -36.523 -21.386 75 H GLY 12 H GLY 12 -6.922 -33.960 -23.413 76 HA2 GLY 12 2HA GLY 12 -4.707 -35.269 -22.012 77 HA3 GLY 12 1HA GLY 12 -4.340 -34.420 -23.506 78 H LEU 13 H LEU 13 -2.914 -33.369 -21.742 79 HA LEU 13 HA LEU 13 -4.253 -30.888 -20.973 80 HB2 LEU 13 2HB LEU 13 -4.290 -32.385 -18.999 81 HB3 LEU 13 1HB LEU 13 -2.542 -32.487 -19.070 82 HG LEU 13 HG LEU 13 -2.605 -29.906 -18.834 83 HD11 LEU 13 1HD1 LEU 13 -5.015 -29.675 -19.199 84 HD12 LEU 13 2HD1 LEU 13 -4.530 -29.049 -17.624 85 HD13 LEU 13 3HD1 LEU 13 -5.322 -30.621 -17.741 86 HD21 LEU 13 3HD2 LEU 13 -2.803 -30.149 -16.342 87 HD22 LEU 13 1HD2 LEU 13 -1.672 -31.257 -17.117 88 HD23 LEU 13 2HD2 LEU 13 -3.263 -31.829 -16.615 89 H VAL 14 H VAL 14 -1.170 -32.652 -21.089 90 HA VAL 14 HA VAL 14 0.532 -30.442 -21.001 91 HB VAL 14 HB VAL 14 1.118 -32.951 -22.566 92 HG11 VAL 14 1HG1 VAL 14 3.422 -32.505 -21.861 93 HG12 VAL 14 2HG1 VAL 14 2.881 -31.039 -21.041 94 HG13 VAL 14 3HG1 VAL 14 2.752 -31.167 -22.795 95 HG21 VAL 14 3HG2 VAL 14 0.474 -33.931 -20.596 96 HG22 VAL 14 1HG2 VAL 14 0.894 -32.519 -19.627 97 HG23 VAL 14 2HG2 VAL 14 2.163 -33.583 -20.236 98 HA PRO 15 HA PRO 15 0.398 -30.306 -25.798 99 HB2 PRO 15 2HB PRO 15 -1.497 -31.671 -27.124 100 HB3 PRO 15 1HB PRO 15 0.018 -32.430 -26.623 101 HG2 PRO 15 2HG PRO 15 -2.684 -32.573 -25.348 102 HG3 PRO 15 1HG PRO 15 -1.502 -33.866 -25.611 103 HD2 PRO 15 2HD PRO 15 -1.834 -32.573 -23.225 104 HD3 PRO 15 1HD PRO 15 -0.312 -33.328 -23.733 105 H ARG 16 H ARG 16 -1.501 -29.727 -27.581 106 HA ARG 16 HA ARG 16 -2.696 -27.392 -26.605 107 HB2 ARG 16 2HB ARG 16 -2.167 -28.241 -29.058 108 HB3 ARG 16 1HB ARG 16 -3.846 -28.761 -28.995 109 HG2 ARG 16 2HG ARG 16 -3.318 -25.994 -28.126 110 HG3 ARG 16 1HG ARG 16 -3.066 -26.338 -29.838 111 HD2 ARG 16 2HD ARG 16 -5.342 -27.317 -29.926 112 HD3 ARG 16 1HD ARG 16 -5.581 -26.832 -28.248 113 HE ARG 16 HE ARG 16 -5.947 -24.690 -28.958 114 HH11 ARG 16 1HH1 ARG 16 -4.412 -26.475 -31.533 115 HH12 ARG 16 2HH1 ARG 16 -4.600 -25.204 -32.695 116 HH21 ARG 16 1HH2 ARG 16 -6.197 -23.018 -30.484 117 HH22 ARG 16 2HH2 ARG 16 -5.613 -23.242 -32.101 118 H GLY 17 H GLY 17 -4.885 -26.847 -26.243 119 HA2 GLY 17 2HA GLY 17 -7.209 -27.481 -26.072 120 HA3 GLY 17 1HA GLY 17 -6.688 -29.131 -25.766 121 H SER 18 H SER 18 -5.715 -26.026 -24.325 122 HA SER 18 HA SER 18 -6.665 -27.031 -21.728 123 HB2 SER 18 2HB SER 18 -4.627 -25.721 -20.788 124 HB3 SER 18 1HB SER 18 -4.353 -27.312 -21.492 125 HG SER 18 HG SER 18 -3.211 -25.063 -22.184 126 H HIS 19 H HIS 19 -6.435 -25.051 -20.079 127 HA HIS 19 HA HIS 19 -7.166 -22.520 -21.293 128 HB2 HIS 19 2HB HIS 19 -9.112 -24.309 -19.927 129 HB3 HIS 19 1HB HIS 19 -9.220 -22.586 -19.585 130 HD1 HIS 19 1HD HIS 19 -9.554 -25.051 -22.406 131 HD2 HIS 19 2HD HIS 19 -10.284 -21.037 -21.616 132 HE1 HIS 19 1HE HIS 19 -10.892 -24.213 -24.364 133 HE2 HIS 19 2HE HIS 19 -11.249 -21.762 -23.904 134 H MET 20 H MET 20 -7.121 -20.757 -19.822 135 HA MET 20 HA MET 20 -5.427 -21.278 -17.505 136 HB2 MET 20 2HB MET 20 -4.928 -19.486 -19.249 137 HB3 MET 20 1HB MET 20 -6.270 -18.582 -18.559 138 HG2 MET 20 2HG MET 20 -5.151 -18.125 -16.622 139 HG3 MET 20 1HG MET 20 -4.136 -19.560 -16.739 140 HE1 MET 20 3HE MET 20 -0.967 -17.831 -17.319 141 HE2 MET 20 1HE MET 20 -1.895 -19.180 -16.663 142 HE3 MET 20 2HE MET 20 -2.048 -17.575 -15.949 143 H SER 21 H SER 21 -5.970 -20.787 -15.415 144 HA SER 21 HA SER 21 -8.783 -20.672 -14.821 145 HB2 SER 21 2HB SER 21 -7.986 -20.726 -12.434 146 HB3 SER 21 1HB SER 21 -7.412 -22.069 -13.422 147 HG SER 21 HG SER 21 -5.416 -21.141 -13.525 148 H LEU 22 H LEU 22 -6.029 -18.489 -14.618 149 HA LEU 22 HA LEU 22 -7.537 -16.423 -13.286 150 HB2 LEU 22 2HB LEU 22 -4.971 -16.916 -13.207 151 HB3 LEU 22 1HB LEU 22 -4.926 -15.954 -14.672 152 HG LEU 22 HG LEU 22 -6.136 -14.145 -13.311 153 HD11 LEU 22 1HD1 LEU 22 -4.914 -15.461 -10.931 154 HD12 LEU 22 2HD1 LEU 22 -6.534 -15.932 -11.446 155 HD13 LEU 22 3HD1 LEU 22 -6.197 -14.255 -11.017 156 HD21 LEU 22 3HD2 LEU 22 -4.128 -13.148 -12.884 157 HD22 LEU 22 1HD2 LEU 22 -3.593 -14.444 -13.953 158 HD23 LEU 22 2HD2 LEU 22 -3.418 -14.613 -12.206 159 H ASP 23 H ASP 23 -9.279 -16.120 -14.746 160 HA ASP 23 HA ASP 23 -8.675 -14.217 -16.839 161 HB2 ASP 23 2HB ASP 23 -8.743 -16.761 -17.683 162 HB3 ASP 23 1HB ASP 23 -10.468 -16.411 -17.735 163 H GLU 24 H GLU 24 -9.810 -12.866 -15.341 164 HA GLU 24 HA GLU 24 -12.695 -13.383 -15.136 165 HB2 GLU 24 2HB GLU 24 -11.133 -11.275 -13.648 166 HB3 GLU 24 1HB GLU 24 -12.740 -11.885 -13.281 167 HG2 GLU 24 2HG GLU 24 -11.705 -13.164 -11.780 168 HG3 GLU 24 1HG GLU 24 -11.242 -14.158 -13.160 169 H ASN 25 H ASN 25 -13.340 -12.699 -17.178 170 HA ASN 25 HA ASN 25 -12.584 -10.141 -18.225 171 HB2 ASN 25 2HB ASN 25 -14.671 -12.158 -19.062 172 HB3 ASN 25 1HB ASN 25 -14.390 -10.649 -19.926 173 HD21 ASN 25 1HD2 ASN 25 -14.130 -13.045 -21.197 174 HD22 ASN 25 2HD2 ASN 25 -12.467 -13.337 -21.565 175 H GLU 26 H GLU 26 -13.341 -8.274 -17.503 176 HA GLU 26 HA GLU 26 -15.609 -8.071 -15.802 177 HB2 GLU 26 2HB GLU 26 -13.465 -6.534 -16.100 178 HB3 GLU 26 1HB GLU 26 -14.530 -5.669 -17.199 179 HG2 GLU 26 2HG GLU 26 -15.532 -6.336 -14.483 180 HG3 GLU 26 1HG GLU 26 -14.361 -5.030 -14.659 181 H VAL 27 H VAL 27 -17.685 -7.880 -16.311 182 HA VAL 27 HA VAL 27 -18.400 -6.870 -18.984 183 HB VAL 27 HB VAL 27 -19.855 -9.113 -17.582 184 HG11 VAL 27 1HG1 VAL 27 -20.652 -9.374 -20.056 185 HG12 VAL 27 2HG1 VAL 27 -20.183 -7.678 -20.176 186 HG13 VAL 27 3HG1 VAL 27 -21.401 -8.174 -19.002 187 HG21 VAL 27 3HG2 VAL 27 -17.784 -9.219 -19.767 188 HG22 VAL 27 1HG2 VAL 27 -18.861 -10.556 -19.367 189 HG23 VAL 27 2HG2 VAL 27 -17.705 -9.967 -18.172 190 H ALA 28 H ALA 28 -18.759 -4.831 -17.942 191 HA ALA 28 HA ALA 28 -20.062 -3.215 -17.009 192 HB1 ALA 28 1HB ALA 28 -22.295 -5.231 -17.177 193 HB2 ALA 28 2HB ALA 28 -21.737 -4.258 -18.537 194 HB3 ALA 28 3HB ALA 28 -22.438 -3.475 -17.120 195 H ALA 29 H ALA 29 -22.000 -3.083 -15.173 196 HA ALA 29 HA ALA 29 -20.672 -4.078 -12.793 197 HB1 ALA 29 1HB ALA 29 -22.649 -1.968 -13.397 198 HB2 ALA 29 2HB ALA 29 -21.252 -1.943 -12.320 199 HB3 ALA 29 3HB ALA 29 -22.752 -2.713 -11.802 200 H ASN 30 H ASN 30 -24.151 -3.805 -13.460 201 HA ASN 30 HA ASN 30 -25.894 -5.212 -13.067 202 HB2 ASN 30 2HB ASN 30 -23.704 -7.021 -13.939 203 HB3 ASN 30 1HB ASN 30 -25.103 -7.773 -13.178 204 HD21 ASN 30 1HD2 ASN 30 -23.909 -7.391 -16.032 205 HD22 ASN 30 2HD2 ASN 30 -25.315 -7.065 -16.981 206 H VAL 31 H VAL 31 -26.385 -7.405 -11.690 207 HA VAL 31 HA VAL 31 -25.913 -6.623 -8.984 208 HB VAL 31 HB VAL 31 -27.110 -8.785 -8.443 209 HG11 VAL 31 1HG1 VAL 31 -28.585 -7.063 -8.365 210 HG12 VAL 31 2HG1 VAL 31 -29.253 -7.907 -9.763 211 HG13 VAL 31 3HG1 VAL 31 -28.200 -6.512 -9.995 212 HG21 VAL 31 3HG2 VAL 31 -26.362 -9.650 -10.843 213 HG22 VAL 31 1HG2 VAL 31 -27.934 -8.983 -11.284 214 HG23 VAL 31 2HG2 VAL 31 -27.822 -10.235 -10.046 215 H GLU 32 H GLU 32 -23.568 -6.721 -8.981 216 HA GLU 32 HA GLU 32 -22.489 -9.452 -8.827 217 HB2 GLU 32 2HB GLU 32 -21.332 -6.823 -9.601 218 HB3 GLU 32 1HB GLU 32 -20.269 -7.961 -8.784 219 HG2 GLU 32 2HG GLU 32 -20.342 -9.479 -10.508 220 HG3 GLU 32 1HG GLU 32 -21.887 -8.881 -11.112 221 H THR 33 H THR 33 -20.437 -9.401 -7.260 222 HA THR 33 HA THR 33 -20.821 -7.848 -4.868 223 HB THR 33 HB THR 33 -21.063 -9.927 -3.429 224 HG1 THR 33 1HG THR 33 -21.050 -11.742 -4.448 225 HG21 THR 33 3HG2 THR 33 -22.963 -8.324 -4.136 226 HG22 THR 33 1HG2 THR 33 -23.364 -9.883 -3.415 227 HG23 THR 33 2HG2 THR 33 -23.475 -9.665 -5.162 228 H ARG 34 H ARG 34 -18.669 -7.254 -5.362 229 HA ARG 34 HA ARG 34 -16.607 -9.285 -5.393 230 HB2 ARG 34 2HB ARG 34 -16.835 -6.524 -6.171 231 HB3 ARG 34 1HB ARG 34 -15.442 -6.725 -5.118 232 HG2 ARG 34 2HG ARG 34 -14.457 -7.150 -7.116 233 HG3 ARG 34 1HG ARG 34 -14.987 -8.785 -6.713 234 HD2 ARG 34 2HD ARG 34 -16.770 -8.709 -8.203 235 HD3 ARG 34 1HD ARG 34 -16.767 -6.947 -8.268 236 HE ARG 34 HE ARG 34 -14.369 -8.135 -9.309 237 HH11 ARG 34 1HH1 ARG 34 -17.638 -7.173 -10.064 238 HH12 ARG 34 2HH1 ARG 34 -17.330 -7.009 -11.760 239 HH21 ARG 34 1HH2 ARG 34 -13.963 -7.921 -11.540 240 HH22 ARG 34 2HH2 ARG 34 -15.245 -7.433 -12.599 241 HA PRO 35 HA PRO 35 -15.464 -9.173 -1.141 242 HB2 PRO 35 2HB PRO 35 -12.756 -9.115 -1.182 243 HB3 PRO 35 1HB PRO 35 -13.687 -10.540 -1.659 244 HG2 PRO 35 2HG PRO 35 -12.410 -8.446 -3.376 245 HG3 PRO 35 1HG PRO 35 -12.436 -10.207 -3.590 246 HD2 PRO 35 2HD PRO 35 -14.086 -8.534 -4.947 247 HD3 PRO 35 1HD PRO 35 -14.545 -10.190 -4.507 248 H GLU 36 H GLU 36 -14.566 -7.911 0.594 249 HA GLU 36 HA GLU 36 -14.764 -5.097 0.126 250 HB2 GLU 36 2HB GLU 36 -14.369 -6.855 2.496 251 HB3 GLU 36 1HB GLU 36 -13.894 -5.169 2.646 252 HG2 GLU 36 2HG GLU 36 -16.094 -5.277 3.435 253 HG3 GLU 36 1HG GLU 36 -16.209 -4.583 1.820 254 H LEU 37 H LEU 37 -13.077 -3.584 1.074 255 HA LEU 37 HA LEU 37 -10.499 -4.304 -0.081 256 HB2 LEU 37 2HB LEU 37 -11.579 -1.668 0.916 257 HB3 LEU 37 1HB LEU 37 -9.971 -1.886 0.248 258 HG LEU 37 HG LEU 37 -12.543 -2.378 -1.256 259 HD11 LEU 37 1HD1 LEU 37 -12.119 0.005 -0.688 260 HD12 LEU 37 2HD1 LEU 37 -12.106 -0.333 -2.419 261 HD13 LEU 37 3HD1 LEU 37 -10.587 -0.109 -1.553 262 HD21 LEU 37 3HD2 LEU 37 -10.630 -3.758 -1.986 263 HD22 LEU 37 1HD2 LEU 37 -9.693 -2.285 -2.235 264 HD23 LEU 37 2HD2 LEU 37 -11.134 -2.588 -3.206 265 H ILE 38 H ILE 38 -9.211 -5.379 1.259 266 HA ILE 38 HA ILE 38 -9.076 -4.564 4.072 267 HB ILE 38 HB ILE 38 -8.251 -6.662 4.641 268 HG12 ILE 38 2HG1 ILE 38 -7.746 -8.223 2.443 269 HG13 ILE 38 1HG1 ILE 38 -7.164 -6.647 1.915 270 HG21 ILE 38 1HG2 ILE 38 -10.016 -7.962 4.148 271 HG22 ILE 38 2HG2 ILE 38 -9.815 -7.760 2.407 272 HG23 ILE 38 3HG2 ILE 38 -10.614 -6.505 3.354 273 HD11 ILE 38 3HD1 ILE 38 -5.804 -8.503 3.459 274 HD12 ILE 38 1HD1 ILE 38 -6.275 -7.234 4.588 275 HD13 ILE 38 2HD1 ILE 38 -5.338 -6.830 3.151 276 H THR 39 H THR 39 -6.642 -5.215 4.882 277 HA THR 39 HA THR 39 -4.603 -4.153 3.079 278 HB THR 39 HB THR 39 -3.992 -2.552 5.105 279 HG1 THR 39 1HG THR 39 -5.913 -1.696 6.013 280 HG21 THR 39 3HG2 THR 39 -6.097 -1.935 3.052 281 HG22 THR 39 1HG2 THR 39 -4.364 -1.638 2.941 282 HG23 THR 39 2HG2 THR 39 -5.341 -0.727 4.091 283 H ARG 40 H ARG 40 -2.546 -4.609 3.712 284 HA ARG 40 HA ARG 40 -1.874 -5.733 6.249 285 HB2 ARG 40 2HB ARG 40 -3.035 -7.654 5.103 286 HB3 ARG 40 1HB ARG 40 -1.785 -7.597 3.868 287 HG2 ARG 40 2HG ARG 40 -0.118 -7.919 5.761 288 HG3 ARG 40 1HG ARG 40 -1.512 -8.334 6.762 289 HD2 ARG 40 2HD ARG 40 -1.127 -10.422 6.030 290 HD3 ARG 40 1HD ARG 40 -1.962 -9.877 4.577 291 HE ARG 40 HE ARG 40 0.855 -9.356 4.513 292 HH11 ARG 40 1HH1 ARG 40 -1.595 -11.774 3.939 293 HH12 ARG 40 2HH1 ARG 40 -0.633 -12.662 2.807 294 HH21 ARG 40 1HH2 ARG 40 2.122 -10.522 3.022 295 HH22 ARG 40 2HH2 ARG 40 1.478 -11.951 2.285 296 H THR 41 H THR 41 -0.153 -4.392 6.363 297 HA THR 41 HA THR 41 1.552 -3.979 4.074 298 HB THR 41 HB THR 41 1.021 -2.161 5.691 299 HG1 THR 41 1HG THR 41 2.806 -1.441 4.894 300 HG21 THR 41 3HG2 THR 41 1.122 -3.486 7.766 301 HG22 THR 41 1HG2 THR 41 2.117 -2.032 7.819 302 HG23 THR 41 2HG2 THR 41 2.871 -3.607 7.570 303 H GLU 42 H GLU 42 3.354 -4.847 3.601 304 HA GLU 42 HA GLU 42 4.364 -6.985 5.324 305 HB2 GLU 42 2HB GLU 42 5.499 -6.525 2.612 306 HB3 GLU 42 1HB GLU 42 5.157 -8.035 3.442 307 HG2 GLU 42 2HG GLU 42 3.142 -6.223 2.129 308 HG3 GLU 42 1HG GLU 42 3.719 -7.773 1.518 309 H GLU 43 H GLU 43 6.470 -7.088 5.972 310 HA GLU 43 HA GLU 43 7.752 -4.625 6.511 311 HB2 GLU 43 2HB GLU 43 9.736 -6.326 7.065 312 HB3 GLU 43 1HB GLU 43 8.361 -6.103 8.134 313 HG2 GLU 43 2HG GLU 43 9.047 -8.474 7.719 314 HG3 GLU 43 1HG GLU 43 7.351 -8.110 7.412 315 H ILE 44 H ILE 44 8.367 -3.484 4.789 316 HA ILE 44 HA ILE 44 10.064 -4.764 2.764 317 HB ILE 44 HB ILE 44 8.670 -2.087 2.637 318 HG12 ILE 44 2HG1 ILE 44 7.795 -4.353 0.937 319 HG13 ILE 44 1HG1 ILE 44 7.400 -4.477 2.647 320 HG21 ILE 44 1HG2 ILE 44 10.640 -2.216 1.219 321 HG22 ILE 44 2HG2 ILE 44 9.172 -2.206 0.242 322 HG23 ILE 44 3HG2 ILE 44 10.046 -3.715 0.504 323 HD11 ILE 44 3HD1 ILE 44 6.584 -1.952 2.157 324 HD12 ILE 44 1HD1 ILE 44 5.541 -3.381 2.006 325 HD13 ILE 44 2HD1 ILE 44 6.324 -2.698 0.577 326 HA PRO 45 HA PRO 45 13.185 -2.329 5.072 327 HB2 PRO 45 2HB PRO 45 15.221 -4.039 4.752 328 HB3 PRO 45 1HB PRO 45 13.944 -4.337 5.940 329 HG2 PRO 45 2HG PRO 45 14.277 -5.487 3.192 330 HG3 PRO 45 1HG PRO 45 13.844 -6.311 4.702 331 HD2 PRO 45 2HD PRO 45 12.011 -5.549 2.828 332 HD3 PRO 45 1HD PRO 45 11.643 -5.681 4.559 333 H PHE 46 H PHE 46 15.226 -1.376 4.405 334 HA PHE 46 HA PHE 46 15.236 -0.741 1.576 335 HB2 PHE 46 2HB PHE 46 16.797 1.019 2.168 336 HB3 PHE 46 1HB PHE 46 15.442 1.042 3.291 337 HD1 PHE 46 2HD PHE 46 18.983 0.069 2.898 338 HD2 PHE 46 1HD PHE 46 15.765 0.715 5.606 339 HE1 PHE 46 2HE PHE 46 20.549 -0.069 4.790 340 HE2 PHE 46 1HE PHE 46 17.326 0.582 7.500 341 HZ PHE 46 HZ PHE 46 19.722 0.188 7.094 342 H GLU 47 H GLU 47 17.547 -0.384 0.640 343 HA GLU 47 HA GLU 47 19.364 -2.544 1.391 344 HB2 GLU 47 2HB GLU 47 17.848 -3.464 -0.340 345 HB3 GLU 47 1HB GLU 47 18.341 -2.174 -1.429 346 HG2 GLU 47 2HG GLU 47 20.743 -3.230 -0.718 347 HG3 GLU 47 1HG GLU 47 19.705 -4.656 -0.706 348 H VAL 48 H VAL 48 21.171 -1.451 1.807 349 HA VAL 48 HA VAL 48 21.859 1.031 0.636 350 HB VAL 48 HB VAL 48 23.815 -0.855 1.936 351 HG11 VAL 48 1HG1 VAL 48 24.518 1.557 2.797 352 HG12 VAL 48 2HG1 VAL 48 23.734 2.036 1.290 353 HG13 VAL 48 3HG1 VAL 48 25.086 0.902 1.260 354 HG21 VAL 48 3HG2 VAL 48 22.472 -0.847 3.728 355 HG22 VAL 48 1HG2 VAL 48 21.486 0.474 3.099 356 HG23 VAL 48 2HG2 VAL 48 22.998 0.824 3.936 357 H ILE 49 H ILE 49 23.633 1.527 -0.747 358 HA ILE 49 HA ILE 49 24.681 -0.676 -2.368 359 HB ILE 49 HB ILE 49 23.495 1.806 -3.611 360 HG12 ILE 49 2HG1 ILE 49 21.969 -0.225 -4.549 361 HG13 ILE 49 1HG1 ILE 49 22.315 -0.825 -2.930 362 HG21 ILE 49 1HG2 ILE 49 25.165 1.048 -5.043 363 HG22 ILE 49 2HG2 ILE 49 23.706 0.293 -5.682 364 HG23 ILE 49 3HG2 ILE 49 24.827 -0.647 -4.697 365 HD11 ILE 49 3HD1 ILE 49 20.237 0.394 -2.947 366 HD12 ILE 49 1HD1 ILE 49 21.040 1.811 -3.623 367 HD13 ILE 49 2HD1 ILE 49 21.435 1.266 -1.992 368 H LYS 50 H LYS 50 26.578 -0.112 -3.598 369 HA LYS 50 HA LYS 50 28.022 2.172 -2.428 370 HB2 LYS 50 2HB LYS 50 28.848 -0.580 -3.197 371 HB3 LYS 50 1HB LYS 50 30.022 0.708 -3.429 372 HG2 LYS 50 2HG LYS 50 30.175 1.155 -1.163 373 HG3 LYS 50 1HG LYS 50 28.617 0.405 -0.809 374 HD2 LYS 50 2HD LYS 50 29.483 -1.713 -0.802 375 HD3 LYS 50 1HD LYS 50 30.769 -1.307 -1.940 376 HE2 LYS 50 2HE LYS 50 31.718 0.131 -0.033 377 HE3 LYS 50 1HE LYS 50 30.631 -0.783 1.012 378 HZ1 LYS 50 3HZ LYS 50 31.861 -2.644 0.815 379 HZ2 LYS 50 1HZ LYS 50 33.105 -1.551 0.470 380 HZ3 LYS 50 2HZ LYS 50 32.301 -2.340 -0.789 381 H LYS 51 H LYS 51 27.982 3.845 -3.785 382 HA LYS 51 HA LYS 51 28.148 3.357 -6.671 383 HB2 LYS 51 2HB LYS 51 27.132 5.598 -4.983 384 HB3 LYS 51 1HB LYS 51 27.711 5.968 -6.601 385 HG2 LYS 51 2HG LYS 51 25.839 3.704 -6.390 386 HG3 LYS 51 1HG LYS 51 25.176 5.302 -6.043 387 HD2 LYS 51 2HD LYS 51 24.852 5.002 -8.349 388 HD3 LYS 51 1HD LYS 51 26.269 6.044 -8.224 389 HE2 LYS 51 2HE LYS 51 27.743 4.237 -8.681 390 HE3 LYS 51 1HE LYS 51 26.448 3.052 -8.504 391 HZ1 LYS 51 3HZ LYS 51 26.617 5.107 -10.645 392 HZ2 LYS 51 1HZ LYS 51 25.403 3.938 -10.484 393 HZ3 LYS 51 2HZ LYS 51 26.991 3.468 -10.828 394 H GLU 52 H GLU 52 30.065 3.490 -7.612 395 HA GLU 52 HA GLU 52 32.324 4.645 -6.272 396 HB2 GLU 52 2HB GLU 52 33.593 3.935 -8.239 397 HB3 GLU 52 1HB GLU 52 32.567 2.635 -7.649 398 HG2 GLU 52 2HG GLU 52 30.928 3.771 -9.468 399 HG3 GLU 52 1HG GLU 52 32.501 4.094 -10.195 400 H ASN 53 H ASN 53 32.386 6.808 -6.121 401 HA ASN 53 HA ASN 53 31.755 8.395 -8.512 402 HB2 ASN 53 2HB ASN 53 31.566 8.917 -5.584 403 HB3 ASN 53 1HB ASN 53 31.913 10.283 -6.640 404 HD21 ASN 53 1HD2 ASN 53 29.698 10.575 -5.357 405 HD22 ASN 53 2HD2 ASN 53 28.304 10.231 -6.320 406 HA PRO 54 HA PRO 54 36.081 9.316 -8.891 407 HB2 PRO 54 2HB PRO 54 35.945 11.357 -10.639 408 HB3 PRO 54 1HB PRO 54 35.576 9.695 -11.112 409 HG2 PRO 54 2HG PRO 54 33.706 11.929 -10.427 410 HG3 PRO 54 1HG PRO 54 33.598 10.746 -11.742 411 HD2 PRO 54 2HD PRO 54 32.202 10.529 -9.405 412 HD3 PRO 54 1HD PRO 54 32.696 9.133 -10.383 413 H ASN 55 H ASN 55 33.763 11.821 -8.044 414 HA ASN 55 HA ASN 55 35.505 13.905 -7.423 415 HB2 ASN 55 2HB ASN 55 33.680 14.688 -5.891 416 HB3 ASN 55 1HB ASN 55 33.139 14.313 -7.524 417 HD21 ASN 55 1HD2 ASN 55 31.494 12.965 -7.759 418 HD22 ASN 55 2HD2 ASN 55 30.827 11.968 -6.516 419 H LEU 56 H LEU 56 34.346 11.236 -5.399 420 HA LEU 56 HA LEU 56 35.528 12.038 -2.992 421 HB2 LEU 56 2HB LEU 56 34.692 9.386 -4.108 422 HB3 LEU 56 1HB LEU 56 35.531 9.467 -2.571 423 HG LEU 56 HG LEU 56 33.148 11.210 -2.917 424 HD11 LEU 56 1HD1 LEU 56 32.753 8.353 -2.133 425 HD12 LEU 56 2HD1 LEU 56 32.684 8.831 -3.830 426 HD13 LEU 56 3HD1 LEU 56 31.567 9.542 -2.665 427 HD21 LEU 56 3HD2 LEU 56 34.137 9.518 -0.626 428 HD22 LEU 56 1HD2 LEU 56 32.861 10.734 -0.568 429 HD23 LEU 56 2HD2 LEU 56 34.530 11.220 -0.870 430 HA PRO 57 HA PRO 57 39.782 10.962 -3.519 431 HB2 PRO 57 2HB PRO 57 40.260 10.090 -0.874 432 HB3 PRO 57 1HB PRO 57 40.381 11.739 -1.485 433 HG2 PRO 57 2HG PRO 57 38.505 10.795 0.371 434 HG3 PRO 57 1HG PRO 57 38.434 12.337 -0.497 435 HD2 PRO 57 2HD PRO 57 37.019 9.775 -1.057 436 HD3 PRO 57 1HD PRO 57 36.480 11.449 -1.316 437 H ALA 58 H ALA 58 37.880 8.685 -4.009 438 HA ALA 58 HA ALA 58 37.955 6.449 -4.416 439 HB1 ALA 58 1HB ALA 58 39.836 6.757 -5.745 440 HB2 ALA 58 2HB ALA 58 40.343 5.498 -4.618 441 HB3 ALA 58 3HB ALA 58 40.862 7.165 -4.370 442 H GLY 59 H GLY 59 37.043 5.323 -2.801 443 HA2 GLY 59 2HA GLY 59 37.413 3.564 -1.199 444 HA3 GLY 59 1HA GLY 59 38.815 4.450 -0.616 445 H GLN 60 H GLN 60 37.174 6.994 -0.729 446 HA GLN 60 HA GLN 60 36.099 6.738 1.948 447 HB2 GLN 60 2HB GLN 60 37.459 8.732 0.754 448 HB3 GLN 60 1HB GLN 60 35.816 9.289 0.466 449 HG2 GLN 60 2HG GLN 60 36.252 8.409 3.203 450 HG3 GLN 60 1HG GLN 60 37.309 9.736 2.724 451 HE21 GLN 60 1HE2 GLN 60 35.982 10.762 4.467 452 HE22 GLN 60 2HE2 GLN 60 34.521 11.551 3.987 453 H GLU 61 H GLU 61 33.981 7.065 2.559 454 HA GLU 61 HA GLU 61 32.006 7.184 0.376 455 HB2 GLU 61 2HB GLU 61 31.565 5.676 2.946 456 HB3 GLU 61 1HB GLU 61 30.642 5.577 1.453 457 HG2 GLU 61 2HG GLU 61 31.865 3.850 0.832 458 HG3 GLU 61 1HG GLU 61 33.294 4.884 0.814 459 H ASN 62 H ASN 62 29.744 7.699 1.350 460 HA ASN 62 HA ASN 62 29.793 9.453 3.647 461 HB2 ASN 62 2HB ASN 62 28.971 11.423 2.432 462 HB3 ASN 62 1HB ASN 62 30.573 10.956 1.874 463 HD21 ASN 62 1HD2 ASN 62 29.512 12.490 0.169 464 HD22 ASN 62 2HD2 ASN 62 28.786 11.674 -1.169 465 H ILE 63 H ILE 63 27.738 9.905 4.469 466 HA ILE 63 HA ILE 63 25.631 8.163 3.418 467 HB ILE 63 HB ILE 63 25.662 9.642 6.048 468 HG12 ILE 63 2HG1 ILE 63 27.564 8.067 5.872 469 HG13 ILE 63 1HG1 ILE 63 26.385 7.555 7.076 470 HG21 ILE 63 1HG2 ILE 63 23.987 7.360 5.012 471 HG22 ILE 63 2HG2 ILE 63 23.446 9.004 5.352 472 HG23 ILE 63 3HG2 ILE 63 23.963 7.955 6.673 473 HD11 ILE 63 3HD1 ILE 63 26.890 6.406 4.356 474 HD12 ILE 63 1HD1 ILE 63 25.417 6.064 5.264 475 HD13 ILE 63 2HD1 ILE 63 26.987 5.612 5.928 476 H ILE 64 H ILE 64 24.976 9.492 1.674 477 HA ILE 64 HA ILE 64 24.131 12.196 2.078 478 HB ILE 64 HB ILE 64 23.361 10.409 -0.226 479 HG12 ILE 64 2HG1 ILE 64 25.778 10.293 0.031 480 HG13 ILE 64 1HG1 ILE 64 25.379 11.283 -1.369 481 HG21 ILE 64 1HG2 ILE 64 22.213 12.253 -0.761 482 HG22 ILE 64 2HG2 ILE 64 23.782 12.933 -1.190 483 HG23 ILE 64 3HG2 ILE 64 23.088 13.249 0.400 484 HD11 ILE 64 3HD1 ILE 64 26.955 12.609 -0.443 485 HD12 ILE 64 1HD1 ILE 64 26.638 12.034 1.194 486 HD13 ILE 64 2HD1 ILE 64 25.559 13.213 0.448 487 H THR 65 H THR 65 22.587 9.059 2.105 488 HA THR 65 HA THR 65 20.279 10.120 3.433 489 HB THR 65 HB THR 65 19.590 8.672 0.914 490 HG1 THR 65 1HG THR 65 20.337 10.222 -0.258 491 HG21 THR 65 3HG2 THR 65 17.996 10.972 1.561 492 HG22 THR 65 1HG2 THR 65 18.117 9.879 2.940 493 HG23 THR 65 2HG2 THR 65 17.521 9.284 1.392 494 H ALA 66 H ALA 66 21.086 8.631 4.991 495 HA ALA 66 HA ALA 66 21.666 5.978 4.727 496 HB1 ALA 66 1HB ALA 66 21.978 6.957 6.840 497 HB2 ALA 66 2HB ALA 66 20.726 5.736 7.077 498 HB3 ALA 66 3HB ALA 66 20.284 7.438 6.959 499 H GLY 67 H GLY 67 20.513 4.022 4.967 500 HA2 GLY 67 2HA GLY 67 17.958 4.030 3.635 501 HA3 GLY 67 1HA GLY 67 18.858 2.614 4.161 502 H VAL 68 H VAL 68 15.981 3.831 4.500 503 HA VAL 68 HA VAL 68 15.798 3.176 7.367 504 HB VAL 68 HB VAL 68 13.961 5.099 5.944 505 HG11 VAL 68 1HG1 VAL 68 14.332 4.277 8.810 506 HG12 VAL 68 2HG1 VAL 68 12.871 4.202 7.825 507 HG13 VAL 68 3HG1 VAL 68 13.499 5.763 8.354 508 HG21 VAL 68 3HG2 VAL 68 16.518 5.579 7.425 509 HG22 VAL 68 1HG2 VAL 68 15.237 6.791 7.437 510 HG23 VAL 68 2HG2 VAL 68 15.955 6.284 5.909 511 H LYS 69 H LYS 69 14.408 1.630 7.918 512 HA LYS 69 HA LYS 69 13.191 0.011 5.963 513 HB2 LYS 69 2HB LYS 69 12.741 0.128 8.949 514 HB3 LYS 69 1HB LYS 69 12.140 -1.146 7.898 515 HG2 LYS 69 2HG LYS 69 14.563 -1.534 7.239 516 HG3 LYS 69 1HG LYS 69 14.981 -0.505 8.611 517 HD2 LYS 69 2HD LYS 69 13.272 -2.168 9.827 518 HD3 LYS 69 1HD LYS 69 13.857 -3.245 8.556 519 HE2 LYS 69 2HE LYS 69 15.254 -3.553 10.466 520 HE3 LYS 69 1HE LYS 69 16.187 -2.676 9.255 521 HZ1 LYS 69 3HZ LYS 69 16.128 -1.910 11.746 522 HZ2 LYS 69 1HZ LYS 69 14.712 -1.125 11.256 523 HZ3 LYS 69 2HZ LYS 69 16.180 -0.779 10.490 524 H GLY 70 H GLY 70 11.406 0.359 4.851 525 HA2 GLY 70 2HA GLY 70 9.350 2.143 5.981 526 HA3 GLY 70 1HA GLY 70 9.600 1.855 4.266 527 H GLU 71 H GLU 71 7.395 1.264 3.972 528 HA GLU 71 HA GLU 71 6.908 -1.486 4.200 529 HB2 GLU 71 2HB GLU 71 6.380 -0.126 6.572 530 HB3 GLU 71 1HB GLU 71 4.803 -0.280 5.809 531 HG2 GLU 71 2HG GLU 71 5.192 -2.709 5.590 532 HG3 GLU 71 1HG GLU 71 6.711 -2.512 6.464 533 H ARG 72 H ARG 72 4.873 -2.071 3.299 534 HA ARG 72 HA ARG 72 3.444 0.088 1.947 535 HB2 ARG 72 2HB ARG 72 5.114 -1.021 0.395 536 HB3 ARG 72 1HB ARG 72 4.171 -2.496 0.568 537 HG2 ARG 72 2HG ARG 72 2.310 -1.547 -0.514 538 HG3 ARG 72 1HG ARG 72 2.985 0.075 -0.400 539 HD2 ARG 72 2HD ARG 72 4.514 -0.288 -2.089 540 HD3 ARG 72 1HD ARG 72 4.481 -2.038 -1.878 541 HE ARG 72 HE ARG 72 1.951 -1.223 -2.729 542 HH11 ARG 72 1HH1 ARG 72 5.219 -1.363 -3.946 543 HH12 ARG 72 2HH1 ARG 72 4.730 -1.535 -5.598 544 HH21 ARG 72 1HH2 ARG 72 1.305 -1.450 -4.901 545 HH22 ARG 72 2HH2 ARG 72 2.509 -1.584 -6.141 546 H THR 73 H THR 73 1.449 -0.020 2.663 547 HA THR 73 HA THR 73 0.439 -2.436 3.830 548 HB THR 73 HB THR 73 -0.965 0.153 3.172 549 HG1 THR 73 1HG THR 73 0.695 -0.059 4.945 550 HG21 THR 73 3HG2 THR 73 -2.197 -1.507 5.188 551 HG22 THR 73 1HG2 THR 73 -2.186 -2.256 3.589 552 HG23 THR 73 2HG2 THR 73 -2.914 -0.661 3.813 553 H HIS 74 H HIS 74 -0.457 -4.053 2.806 554 HA HIS 74 HA HIS 74 -1.225 -3.609 0.039 555 HB2 HIS 74 2HB HIS 74 0.071 -5.824 1.477 556 HB3 HIS 74 1HB HIS 74 -0.995 -6.261 0.124 557 HD1 HIS 74 1HD HIS 74 1.860 -4.015 0.971 558 HD2 HIS 74 2HD HIS 74 0.062 -5.751 -2.335 559 HE1 HIS 74 1HE HIS 74 3.311 -3.375 -1.000 560 HE2 HIS 74 2HE HIS 74 1.989 -4.162 -2.997 561 H TYR 75 H TYR 75 -3.134 -3.569 -0.566 562 HA TYR 75 HA TYR 75 -5.254 -4.387 1.207 563 HB2 TYR 75 2HB TYR 75 -5.905 -3.257 -1.451 564 HB3 TYR 75 1HB TYR 75 -6.571 -2.869 0.127 565 HD1 TYR 75 2HD TYR 75 -3.593 -2.310 1.260 566 HD2 TYR 75 1HD TYR 75 -5.866 -0.889 -2.045 567 HE1 TYR 75 2HE TYR 75 -2.289 -0.226 1.274 568 HE2 TYR 75 1HE TYR 75 -4.585 1.208 -2.011 569 HH TYR 75 HH TYR 75 -3.297 2.512 -0.458 570 H ILE 76 H ILE 76 -5.483 -6.531 1.160 571 HA ILE 76 HA ILE 76 -5.538 -7.994 -1.343 572 HB ILE 76 HB ILE 76 -5.859 -8.885 1.528 573 HG12 ILE 76 2HG1 ILE 76 -3.645 -9.945 1.136 574 HG13 ILE 76 1HG1 ILE 76 -3.599 -9.206 -0.461 575 HG21 ILE 76 1HG2 ILE 76 -7.110 -10.440 0.265 576 HG22 ILE 76 2HG2 ILE 76 -5.542 -11.196 0.545 577 HG23 ILE 76 3HG2 ILE 76 -5.907 -10.476 -1.022 578 HD11 ILE 76 3HD1 ILE 76 -3.309 -7.075 0.410 579 HD12 ILE 76 1HD1 ILE 76 -2.317 -8.092 1.454 580 HD13 ILE 76 2HD1 ILE 76 -3.900 -7.541 2.005 581 H SER 77 H SER 77 -7.338 -9.421 -1.889 582 HA SER 77 HA SER 77 -9.911 -8.176 -1.223 583 HB2 SER 77 2HB SER 77 -8.815 -9.527 -3.621 584 HB3 SER 77 1HB SER 77 -10.514 -9.847 -3.266 585 HG SER 77 HG SER 77 -10.578 -8.032 -4.448 586 H VAL 78 H VAL 78 -10.878 -9.138 0.445 587 HA VAL 78 HA VAL 78 -10.488 -11.940 1.014 588 HB VAL 78 HB VAL 78 -12.138 -11.500 2.874 589 HG11 VAL 78 1HG1 VAL 78 -9.902 -11.460 3.515 590 HG12 VAL 78 2HG1 VAL 78 -10.513 -9.901 4.071 591 HG13 VAL 78 3HG1 VAL 78 -9.562 -9.997 2.589 592 HG21 VAL 78 3HG2 VAL 78 -11.809 -8.606 2.672 593 HG22 VAL 78 1HG2 VAL 78 -13.233 -9.560 3.082 594 HG23 VAL 78 2HG2 VAL 78 -12.809 -9.292 1.392 595 H LEU 79 H LEU 79 -11.438 -13.210 -0.511 596 HA LEU 79 HA LEU 79 -14.341 -12.869 -0.900 597 HB2 LEU 79 2HB LEU 79 -12.685 -12.607 -2.891 598 HB3 LEU 79 1HB LEU 79 -12.587 -14.356 -2.821 599 HG LEU 79 HG LEU 79 -14.198 -13.588 -4.506 600 HD11 LEU 79 1HD1 LEU 79 -15.604 -14.916 -2.198 601 HD12 LEU 79 2HD1 LEU 79 -14.492 -15.743 -3.290 602 HD13 LEU 79 3HD1 LEU 79 -15.990 -15.052 -3.914 603 HD21 LEU 79 3HD2 LEU 79 -14.813 -11.556 -2.969 604 HD22 LEU 79 1HD2 LEU 79 -16.042 -12.663 -2.354 605 HD23 LEU 79 2HD2 LEU 79 -16.009 -12.246 -4.068 606 H THR 80 H THR 80 -15.359 -14.289 0.356 607 HA THR 80 HA THR 80 -14.174 -16.809 1.086 608 HB THR 80 HB THR 80 -16.981 -15.816 1.609 609 HG1 THR 80 1HG THR 80 -16.182 -14.631 3.138 610 HG21 THR 80 3HG2 THR 80 -15.329 -17.886 3.037 611 HG22 THR 80 1HG2 THR 80 -16.764 -18.183 2.053 612 HG23 THR 80 2HG2 THR 80 -16.901 -17.280 3.562 613 H GLU 81 H GLU 81 -14.365 -18.665 0.026 614 HA GLU 81 HA GLU 81 -16.664 -19.042 -1.771 615 HB2 GLU 81 2HB GLU 81 -15.061 -20.310 -3.283 616 HB3 GLU 81 1HB GLU 81 -14.897 -18.559 -3.264 617 HG2 GLU 81 2HG GLU 81 -13.216 -20.122 -1.389 618 HG3 GLU 81 1HG GLU 81 -12.813 -20.177 -3.104 619 H ASN 82 H ASN 82 -17.807 -20.741 -1.154 620 HA ASN 82 HA ASN 82 -18.402 -22.760 -0.292 621 HB2 ASN 82 2HB ASN 82 -15.614 -23.311 -1.261 622 HB3 ASN 82 1HB ASN 82 -16.513 -24.551 -0.391 623 HD21 ASN 82 1HD2 ASN 82 -16.593 -22.431 -3.197 624 HD22 ASN 82 2HD2 ASN 82 -17.610 -23.441 -4.161 625 H GLY 83 H GLY 83 -17.368 -20.695 1.471 626 HA2 GLY 83 2HA GLY 83 -17.154 -20.575 3.776 627 HA3 GLY 83 1HA GLY 83 -17.034 -22.327 3.824 628 H LYS 84 H LYS 84 -15.014 -20.096 1.971 629 HA LYS 84 HA LYS 84 -12.805 -20.393 3.820 630 HB2 LYS 84 2HB LYS 84 -12.956 -21.822 1.213 631 HB3 LYS 84 1HB LYS 84 -11.409 -21.115 1.664 632 HG2 LYS 84 2HG LYS 84 -11.091 -23.107 2.647 633 HG3 LYS 84 1HG LYS 84 -12.029 -22.382 3.954 634 HD2 LYS 84 2HD LYS 84 -14.052 -23.312 2.513 635 HD3 LYS 84 1HD LYS 84 -12.813 -24.442 1.963 636 HE2 LYS 84 2HE LYS 84 -13.594 -23.922 4.830 637 HE3 LYS 84 1HE LYS 84 -14.042 -25.334 3.875 638 HZ1 LYS 84 3HZ LYS 84 -11.635 -25.811 3.648 639 HZ2 LYS 84 1HZ LYS 84 -12.193 -25.899 5.244 640 HZ3 LYS 84 2HZ LYS 84 -11.310 -24.552 4.730 641 H THR 85 H THR 85 -12.000 -18.418 3.983 642 HA THR 85 HA THR 85 -12.279 -16.542 1.770 643 HB THR 85 HB THR 85 -10.986 -15.796 4.355 644 HG1 THR 85 1HG THR 85 -13.763 -16.256 4.024 645 HG21 THR 85 3HG2 THR 85 -11.937 -14.367 2.180 646 HG22 THR 85 1HG2 THR 85 -11.470 -13.724 3.754 647 HG23 THR 85 2HG2 THR 85 -13.155 -14.140 3.435 648 H THR 86 H THR 86 -10.705 -16.262 0.347 649 HA THR 86 HA THR 86 -7.980 -17.078 1.062 650 HB THR 86 HB THR 86 -8.917 -16.380 -1.710 651 HG1 THR 86 1HG THR 86 -9.385 -18.618 -1.945 652 HG21 THR 86 3HG2 THR 86 -6.538 -17.590 -0.558 653 HG22 THR 86 1HG2 THR 86 -6.788 -16.853 -2.140 654 HG23 THR 86 2HG2 THR 86 -7.243 -18.535 -1.868 655 H GLU 87 H GLU 87 -6.201 -15.733 0.680 656 HA GLU 87 HA GLU 87 -6.877 -12.873 0.496 657 HB2 GLU 87 2HB GLU 87 -4.579 -12.594 1.597 658 HB3 GLU 87 1HB GLU 87 -5.882 -13.227 2.593 659 HG2 GLU 87 2HG GLU 87 -4.935 -15.271 2.787 660 HG3 GLU 87 1HG GLU 87 -4.194 -15.203 1.189 661 H THR 88 H THR 88 -6.638 -12.297 -1.584 662 HA THR 88 HA THR 88 -4.103 -13.004 -2.912 663 HB THR 88 HB THR 88 -6.081 -14.047 -3.973 664 HG1 THR 88 1HG THR 88 -4.987 -13.785 -5.722 665 HG21 THR 88 3HG2 THR 88 -7.788 -12.844 -5.026 666 HG22 THR 88 1HG2 THR 88 -6.964 -11.303 -4.788 667 HG23 THR 88 2HG2 THR 88 -7.661 -12.151 -3.408 668 H VAL 89 H VAL 89 -2.785 -11.323 -3.086 669 HA VAL 89 HA VAL 89 -3.449 -8.674 -2.535 670 HB VAL 89 HB VAL 89 -1.142 -9.513 -2.471 671 HG11 VAL 89 1HG1 VAL 89 -1.643 -10.643 -4.875 672 HG12 VAL 89 2HG1 VAL 89 -0.026 -10.374 -4.226 673 HG13 VAL 89 3HG1 VAL 89 -0.721 -9.223 -5.368 674 HG21 VAL 89 3HG2 VAL 89 -1.528 -7.109 -2.620 675 HG22 VAL 89 1HG2 VAL 89 -1.517 -7.208 -4.381 676 HG23 VAL 89 2HG2 VAL 89 -0.051 -7.564 -3.468 677 H LEU 90 H LEU 90 -4.048 -6.935 -3.759 678 HA LEU 90 HA LEU 90 -4.459 -7.388 -6.636 679 HB2 LEU 90 2HB LEU 90 -6.411 -6.395 -4.598 680 HB3 LEU 90 1HB LEU 90 -6.537 -5.855 -6.260 681 HG LEU 90 HG LEU 90 -6.737 -8.698 -5.267 682 HD11 LEU 90 1HD1 LEU 90 -8.980 -8.550 -5.548 683 HD12 LEU 90 2HD1 LEU 90 -8.851 -7.382 -6.863 684 HD13 LEU 90 3HD1 LEU 90 -8.660 -6.852 -5.191 685 HD21 LEU 90 3HD2 LEU 90 -7.470 -8.856 -7.836 686 HD22 LEU 90 1HD2 LEU 90 -5.821 -9.149 -7.287 687 HD23 LEU 90 2HD2 LEU 90 -6.260 -7.579 -7.960 688 H ASP 91 H ASP 91 -4.947 -4.696 -4.339 689 HA ASP 91 HA ASP 91 -3.004 -3.125 -5.873 690 HB2 ASP 91 2HB ASP 91 -5.651 -2.771 -6.309 691 HB3 ASP 91 1HB ASP 91 -5.405 -1.650 -4.972 692 H SER 92 H SER 92 -1.704 -1.877 -4.677 693 HA SER 92 HA SER 92 -2.449 -1.172 -1.935 694 HB2 SER 92 2HB SER 92 -0.586 -2.071 -0.907 695 HB3 SER 92 1HB SER 92 -1.092 -3.359 -2.007 696 HG SER 92 HG SER 92 0.554 -2.817 -3.388 697 H GLN 93 H GLN 93 -1.043 0.409 -1.002 698 HA GLN 93 HA GLN 93 0.380 2.051 -2.985 699 HB2 GLN 93 2HB GLN 93 -0.569 3.996 -2.186 700 HB3 GLN 93 1HB GLN 93 -1.911 2.886 -1.920 701 HG2 GLN 93 2HG GLN 93 -1.076 2.595 0.432 702 HG3 GLN 93 1HG GLN 93 0.062 3.909 0.110 703 HE21 GLN 93 1HE2 GLN 93 -1.092 5.873 -0.949 704 HE22 GLN 93 2HE2 GLN 93 -2.535 6.387 -0.147 705 H VAL 94 H VAL 94 2.096 3.464 -1.840 706 HA VAL 94 HA VAL 94 3.514 1.701 -0.027 707 HB VAL 94 HB VAL 94 5.360 3.344 -0.217 708 HG11 VAL 94 1HG1 VAL 94 4.147 1.941 -2.514 709 HG12 VAL 94 2HG1 VAL 94 5.746 1.768 -1.790 710 HG13 VAL 94 3HG1 VAL 94 5.416 3.107 -2.890 711 HG21 VAL 94 3HG2 VAL 94 4.589 4.886 -2.416 712 HG22 VAL 94 1HG2 VAL 94 4.866 5.443 -0.766 713 HG23 VAL 94 2HG2 VAL 94 3.243 4.988 -1.281 714 H THR 95 H THR 95 2.841 1.771 2.003 715 HA THR 95 HA THR 95 2.415 4.413 3.216 716 HB THR 95 HB THR 95 0.827 3.434 4.694 717 HG1 THR 95 1HG THR 95 1.856 1.508 5.178 718 HG21 THR 95 3HG2 THR 95 -0.774 3.355 3.174 719 HG22 THR 95 1HG2 THR 95 -0.248 1.749 2.652 720 HG23 THR 95 2HG2 THR 95 0.447 3.196 1.914 721 H LYS 96 H LYS 96 4.641 4.551 3.549 722 HA LYS 96 HA LYS 96 5.707 4.549 5.904 723 HB2 LYS 96 2HB LYS 96 5.614 1.695 5.098 724 HB3 LYS 96 1HB LYS 96 7.105 2.253 5.842 725 HG2 LYS 96 2HG LYS 96 4.506 2.890 7.149 726 HG3 LYS 96 1HG LYS 96 5.175 1.264 7.295 727 HD2 LYS 96 2HD LYS 96 6.751 3.748 7.931 728 HD3 LYS 96 1HD LYS 96 5.790 2.888 9.135 729 HE2 LYS 96 2HE LYS 96 7.182 1.062 9.140 730 HE3 LYS 96 1HE LYS 96 7.746 1.353 7.495 731 HZ1 LYS 96 3HZ LYS 96 9.463 1.810 9.140 732 HZ2 LYS 96 1HZ LYS 96 8.480 2.975 9.874 733 HZ3 LYS 96 2HZ LYS 96 9.045 3.215 8.296 734 H GLU 97 H GLU 97 6.292 3.395 2.671 735 HA GLU 97 HA GLU 97 8.012 3.650 1.203 736 HB2 GLU 97 2HB GLU 97 7.211 5.966 1.408 737 HB3 GLU 97 1HB GLU 97 8.342 6.238 2.726 738 HG2 GLU 97 2HG GLU 97 9.422 7.163 0.907 739 HG3 GLU 97 1HG GLU 97 10.152 5.563 1.029 740 H VAL 98 H VAL 98 9.640 2.240 1.434 741 HA VAL 98 HA VAL 98 11.419 2.349 3.698 742 HB VAL 98 HB VAL 98 10.793 0.181 2.722 743 HG11 VAL 98 1HG1 VAL 98 12.576 0.230 0.451 744 HG12 VAL 98 2HG1 VAL 98 11.289 1.427 0.281 745 HG13 VAL 98 3HG1 VAL 98 10.885 -0.270 0.546 746 HG21 VAL 98 3HG2 VAL 98 13.460 1.082 3.298 747 HG22 VAL 98 1HG2 VAL 98 13.495 -0.237 2.128 748 HG23 VAL 98 2HG2 VAL 98 12.692 -0.459 3.680 749 H ILE 99 H ILE 99 12.745 4.053 3.732 750 HA ILE 99 HA ILE 99 13.839 5.299 1.438 751 HB ILE 99 HB ILE 99 14.919 5.453 4.252 752 HG12 ILE 99 2HG1 ILE 99 12.743 7.074 2.910 753 HG13 ILE 99 1HG1 ILE 99 12.534 5.964 4.261 754 HG21 ILE 99 1HG2 ILE 99 16.380 6.345 2.478 755 HG22 ILE 99 2HG2 ILE 99 15.799 7.600 3.573 756 HG23 ILE 99 3HG2 ILE 99 15.078 7.420 1.973 757 HD11 ILE 99 3HD1 ILE 99 13.633 7.397 5.747 758 HD12 ILE 99 1HD1 ILE 99 12.593 8.444 4.782 759 HD13 ILE 99 2HD1 ILE 99 14.322 8.361 4.442 760 H ASN 100 H ASN 100 15.617 4.897 0.289 761 HA ASN 100 HA ASN 100 17.185 2.544 0.948 762 HB2 ASN 100 2HB ASN 100 16.873 4.277 -1.474 763 HB3 ASN 100 1HB ASN 100 18.302 3.260 -1.324 764 HD21 ASN 100 1HD2 ASN 100 18.007 1.611 -2.645 765 HD22 ASN 100 2HD2 ASN 100 16.596 0.615 -2.720 766 H GLN 101 H GLN 101 19.327 2.512 1.468 767 HA GLN 101 HA GLN 101 20.430 4.904 2.592 768 HB2 GLN 101 2HB GLN 101 20.767 2.645 3.579 769 HB3 GLN 101 1HB GLN 101 21.753 2.219 2.186 770 HG2 GLN 101 2HG GLN 101 23.539 3.316 2.953 771 HG3 GLN 101 1HG GLN 101 22.581 4.678 3.530 772 HE21 GLN 101 1HE2 GLN 101 24.362 4.325 5.218 773 HE22 GLN 101 2HE2 GLN 101 23.926 3.345 6.571 774 H VAL 102 H VAL 102 21.082 6.433 1.196 775 HA VAL 102 HA VAL 102 22.435 5.729 -1.270 776 HB VAL 102 HB VAL 102 21.953 8.492 -0.154 777 HG11 VAL 102 1HG1 VAL 102 23.618 8.402 -1.923 778 HG12 VAL 102 2HG1 VAL 102 22.144 9.177 -2.504 779 HG13 VAL 102 3HG1 VAL 102 22.499 7.509 -2.953 780 HG21 VAL 102 3HG2 VAL 102 19.902 8.586 -1.336 781 HG22 VAL 102 1HG2 VAL 102 19.872 7.088 -0.407 782 HG23 VAL 102 2HG2 VAL 102 20.212 7.045 -2.137 783 H VAL 103 H VAL 103 24.458 4.979 -0.874 784 HA VAL 103 HA VAL 103 26.267 6.746 0.644 785 HB VAL 103 HB VAL 103 26.621 3.772 0.267 786 HG11 VAL 103 1HG1 VAL 103 28.462 3.918 1.644 787 HG12 VAL 103 2HG1 VAL 103 27.922 5.422 2.389 788 HG13 VAL 103 3HG1 VAL 103 28.577 5.432 0.750 789 HG21 VAL 103 3HG2 VAL 103 24.593 4.422 1.627 790 HG22 VAL 103 1HG2 VAL 103 25.709 5.147 2.785 791 HG23 VAL 103 2HG2 VAL 103 25.781 3.416 2.455 792 H GLU 104 H GLU 104 27.479 7.853 -0.745 793 HA GLU 104 HA GLU 104 28.278 6.623 -3.275 794 HB2 GLU 104 2HB GLU 104 28.800 9.464 -2.416 795 HB3 GLU 104 1HB GLU 104 28.789 8.810 -4.048 796 HG2 GLU 104 2HG GLU 104 26.258 8.250 -3.182 797 HG3 GLU 104 1HG GLU 104 26.594 9.795 -2.402 798 H VAL 105 H VAL 105 30.078 5.447 -3.152 799 HA VAL 105 HA VAL 105 32.259 6.336 -1.405 800 HB VAL 105 HB VAL 105 31.508 4.011 -1.131 801 HG11 VAL 105 1HG1 VAL 105 32.703 3.043 -3.620 802 HG12 VAL 105 2HG1 VAL 105 31.227 3.981 -3.846 803 HG13 VAL 105 3HG1 VAL 105 31.216 2.555 -2.808 804 HG21 VAL 105 3HG2 VAL 105 34.012 4.886 -1.051 805 HG22 VAL 105 1HG2 VAL 105 34.196 3.712 -2.354 806 HG23 VAL 105 2HG2 VAL 105 33.604 3.193 -0.776 807 H GLY 106 H GLY 106 34.404 6.491 -2.172 808 HA2 GLY 106 2HA GLY 106 34.595 7.532 -4.843 809 HA3 GLY 106 1HA GLY 106 35.905 7.399 -3.679 810 H ALA 107 H ALA 107 35.725 6.740 -6.587 811 HA ALA 107 HA ALA 107 35.680 4.007 -7.071 812 HB1 ALA 107 1HB ALA 107 37.152 4.528 -9.016 813 HB2 ALA 107 2HB ALA 107 37.297 6.173 -8.399 814 HB3 ALA 107 3HB ALA 107 35.723 5.554 -8.892 815 HA PRO 108 HA PRO 108 39.296 2.966 -4.546 816 HB2 PRO 108 2HB PRO 108 38.985 0.272 -4.741 817 HB3 PRO 108 1HB PRO 108 38.061 1.269 -3.612 818 HG2 PRO 108 2HG PRO 108 37.259 0.203 -6.292 819 HG3 PRO 108 1HG PRO 108 36.322 0.266 -4.786 820 HD2 PRO 108 2HD PRO 108 35.981 2.061 -6.777 821 HD3 PRO 108 1HD PRO 108 35.781 2.491 -5.067 822 H VAL 109 H VAL 109 38.482 1.188 -7.529 823 HA VAL 109 HA VAL 109 41.087 1.739 -8.632 824 HB VAL 109 HB VAL 109 41.551 -0.706 -9.078 825 HG11 VAL 109 1HG1 VAL 109 42.520 0.862 -7.208 826 HG12 VAL 109 2HG1 VAL 109 42.906 -0.858 -7.234 827 HG13 VAL 109 3HG1 VAL 109 41.667 -0.250 -6.137 828 HG21 VAL 109 3HG2 VAL 109 39.511 -1.771 -8.607 829 HG22 VAL 109 1HG2 VAL 109 39.362 -0.978 -7.039 830 HG23 VAL 109 2HG2 VAL 109 40.577 -2.233 -7.280 831 H THR 110 H THR 110 41.287 0.354 -10.784 832 HA THR 110 HA THR 110 38.764 -0.185 -12.073 833 HB THR 110 HB THR 110 39.598 1.511 -13.960 834 HG1 THR 110 1HG THR 110 41.302 2.437 -12.991 835 HG21 THR 110 3HG2 THR 110 37.602 2.343 -13.526 836 HG22 THR 110 1HG2 THR 110 38.293 3.235 -12.170 837 HG23 THR 110 2HG2 THR 110 37.619 1.625 -11.915 838 H HIS 111 H HIS 111 39.899 -2.235 -12.162 839 HA HIS 111 HA HIS 111 41.964 -2.320 -14.262 840 HB2 HIS 111 2HB HIS 111 42.246 -3.246 -11.745 841 HB3 HIS 111 1HB HIS 111 41.571 -4.681 -12.511 842 HD1 HIS 111 1HD HIS 111 44.651 -2.636 -12.292 843 HD2 HIS 111 2HD HIS 111 43.219 -5.834 -14.524 844 HE1 HIS 111 1HE HIS 111 46.665 -3.609 -13.441 845 HE2 HIS 111 2HE HIS 111 45.786 -5.597 -14.715 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -54.401 -11.708 -24.800 2 H2 MET 1 2HT MET 1 -55.417 -10.771 -25.817 3 H3 MET 1 3HT MET 1 -56.092 -11.678 -24.525 4 HA MET 1 HA MET 1 -55.860 -9.241 -24.182 5 HB2 MET 1 2HB MET 1 -55.961 -11.282 -22.496 6 HB3 MET 1 1HB MET 1 -54.325 -10.763 -22.119 7 HG2 MET 1 2HG MET 1 -55.009 -8.893 -21.073 8 HG3 MET 1 1HG MET 1 -56.364 -8.642 -22.172 9 HE1 MET 1 2HE MET 1 -58.987 -11.083 -21.025 10 HE2 MET 1 3HE MET 1 -58.233 -10.189 -22.346 11 HE3 MET 1 1HE MET 1 -59.105 -9.324 -21.080 12 H GLY 2 H GLY 2 -53.806 -9.620 -26.101 13 HA2 GLY 2 2HA GLY 2 -51.343 -8.774 -24.772 14 HA3 GLY 2 1HA GLY 2 -51.509 -9.211 -26.464 15 H SER 3 H SER 3 -53.368 -6.886 -24.533 16 HA SER 3 HA SER 3 -52.267 -4.719 -26.185 17 HB2 SER 3 2HB SER 3 -54.372 -5.166 -27.215 18 HB3 SER 3 1HB SER 3 -55.183 -5.299 -25.654 19 HG SER 3 HG SER 3 -54.791 -3.121 -27.157 20 H SER 4 H SER 4 -54.358 -5.410 -23.382 21 HA SER 4 HA SER 4 -53.978 -2.915 -22.127 22 HB2 SER 4 2HB SER 4 -54.732 -5.594 -20.932 23 HB3 SER 4 1HB SER 4 -54.860 -4.045 -20.098 24 HG SER 4 HG SER 4 -56.221 -4.810 -22.468 25 H HIS 5 H HIS 5 -52.627 -6.086 -21.191 26 HA HIS 5 HA HIS 5 -50.234 -4.666 -20.221 27 HB2 HIS 5 2HB HIS 5 -51.722 -6.947 -18.918 28 HB3 HIS 5 1HB HIS 5 -50.088 -6.482 -18.459 29 HD1 HIS 5 1HD HIS 5 -53.604 -5.084 -18.520 30 HD2 HIS 5 2HD HIS 5 -49.935 -4.396 -16.692 31 HE1 HIS 5 1HE HIS 5 -54.041 -3.331 -16.771 32 HE2 HIS 5 2HE HIS 5 -51.827 -2.994 -15.620 33 H HIS 6 H HIS 6 -49.345 -5.157 -22.327 34 HA HIS 6 HA HIS 6 -48.725 -7.989 -22.774 35 HB2 HIS 6 2HB HIS 6 -49.728 -6.657 -24.641 36 HB3 HIS 6 1HB HIS 6 -48.282 -5.654 -24.644 37 HD1 HIS 6 1HD HIS 6 -47.445 -6.317 -26.941 38 HD2 HIS 6 2HD HIS 6 -48.098 -9.572 -24.441 39 HE1 HIS 6 1HE HIS 6 -46.450 -8.293 -28.136 40 HE2 HIS 6 2HE HIS 6 -46.934 -10.265 -26.645 41 H HIS 7 H HIS 7 -46.720 -8.777 -22.544 42 HA HIS 7 HA HIS 7 -44.362 -7.201 -22.781 43 HB2 HIS 7 2HB HIS 7 -45.180 -6.465 -20.539 44 HB3 HIS 7 1HB HIS 7 -45.055 -8.133 -19.988 45 HD1 HIS 7 1HD HIS 7 -42.307 -7.267 -22.206 46 HD2 HIS 7 2HD HIS 7 -43.128 -6.911 -18.148 47 HE1 HIS 7 1HE HIS 7 -40.086 -6.851 -21.105 48 HE2 HIS 7 2HE HIS 7 -40.596 -6.724 -18.641 49 H HIS 8 H HIS 8 -45.801 -10.122 -21.385 50 HA HIS 8 HA HIS 8 -43.592 -11.668 -22.563 51 HB2 HIS 8 2HB HIS 8 -44.616 -11.693 -19.771 52 HB3 HIS 8 1HB HIS 8 -44.184 -13.244 -20.483 53 HD1 HIS 8 1HD HIS 8 -41.674 -13.624 -21.061 54 HD2 HIS 8 2HD HIS 8 -42.479 -10.023 -19.151 55 HE1 HIS 8 1HE HIS 8 -39.438 -12.747 -20.311 56 HE2 HIS 8 2HE HIS 8 -39.960 -10.609 -19.084 57 H HIS 9 H HIS 9 -44.538 -12.671 -24.229 58 HA HIS 9 HA HIS 9 -46.378 -14.752 -23.835 59 HB2 HIS 9 2HB HIS 9 -47.727 -12.418 -23.749 60 HB3 HIS 9 1HB HIS 9 -47.749 -12.707 -25.486 61 HD1 HIS 9 1HD HIS 9 -49.932 -13.112 -22.880 62 HD2 HIS 9 2HD HIS 9 -48.467 -15.796 -25.693 63 HE1 HIS 9 1HE HIS 9 -51.607 -14.986 -22.956 64 HE2 HIS 9 2HE HIS 9 -50.656 -16.639 -24.601 65 H SER 10 H SER 10 -45.277 -16.045 -25.183 66 HA SER 10 HA SER 10 -44.448 -16.936 -27.104 67 HB2 SER 10 2HB SER 10 -46.774 -16.417 -27.892 68 HB3 SER 10 1HB SER 10 -46.162 -14.892 -28.528 69 HG SER 10 HG SER 10 -44.950 -15.980 -29.997 70 H SER 11 H SER 11 -43.068 -14.721 -25.825 71 HA SER 11 HA SER 11 -41.979 -13.069 -27.919 72 HB2 SER 11 2HB SER 11 -41.667 -13.300 -24.980 73 HB3 SER 11 1HB SER 11 -40.272 -12.678 -25.863 74 HG SER 11 HG SER 11 -41.699 -11.120 -26.798 75 H GLY 12 H GLY 12 -39.351 -12.925 -27.617 76 HA2 GLY 12 2HA GLY 12 -38.453 -15.509 -28.637 77 HA3 GLY 12 1HA GLY 12 -37.589 -13.984 -28.762 78 H LEU 13 H LEU 13 -38.918 -15.701 -25.944 79 HA LEU 13 HA LEU 13 -37.962 -16.393 -24.000 80 HB2 LEU 13 2HB LEU 13 -35.786 -16.829 -25.997 81 HB3 LEU 13 1HB LEU 13 -35.414 -17.013 -24.293 82 HG LEU 13 HG LEU 13 -37.648 -18.510 -25.656 83 HD11 LEU 13 1HD1 LEU 13 -34.957 -19.656 -24.988 84 HD12 LEU 13 2HD1 LEU 13 -35.302 -18.951 -26.566 85 HD13 LEU 13 3HD1 LEU 13 -36.231 -20.338 -25.999 86 HD21 LEU 13 3HD2 LEU 13 -36.196 -19.254 -23.140 87 HD22 LEU 13 1HD2 LEU 13 -37.775 -19.794 -23.714 88 HD23 LEU 13 2HD2 LEU 13 -37.570 -18.148 -23.115 89 H VAL 14 H VAL 14 -37.918 -14.790 -22.561 90 HA VAL 14 HA VAL 14 -37.347 -12.840 -21.505 91 HB VAL 14 HB VAL 14 -34.917 -12.756 -20.857 92 HG11 VAL 14 1HG1 VAL 14 -35.109 -14.523 -19.323 93 HG12 VAL 14 2HG1 VAL 14 -36.091 -15.486 -20.427 94 HG13 VAL 14 3HG1 VAL 14 -36.767 -14.041 -19.675 95 HG21 VAL 14 3HG2 VAL 14 -34.052 -13.819 -22.921 96 HG22 VAL 14 1HG2 VAL 14 -34.757 -15.347 -22.392 97 HG23 VAL 14 2HG2 VAL 14 -33.473 -14.593 -21.447 98 HA PRO 15 HA PRO 15 -36.006 -10.634 -25.422 99 HB2 PRO 15 2HB PRO 15 -38.197 -9.039 -25.610 100 HB3 PRO 15 1HB PRO 15 -38.116 -10.649 -26.334 101 HG2 PRO 15 2HG PRO 15 -39.376 -9.792 -23.756 102 HG3 PRO 15 1HG PRO 15 -40.001 -10.899 -24.994 103 HD2 PRO 15 2HD PRO 15 -38.856 -11.778 -22.705 104 HD3 PRO 15 1HD PRO 15 -38.727 -12.666 -24.237 105 H ARG 16 H ARG 16 -34.499 -9.205 -24.836 106 HA ARG 16 HA ARG 16 -33.480 -7.383 -23.934 107 HB2 ARG 16 2HB ARG 16 -36.314 -6.565 -24.191 108 HB3 ARG 16 1HB ARG 16 -35.324 -5.587 -23.116 109 HG2 ARG 16 2HG ARG 16 -34.107 -4.714 -24.804 110 HG3 ARG 16 1HG ARG 16 -34.162 -6.199 -25.756 111 HD2 ARG 16 2HD ARG 16 -35.640 -5.137 -27.050 112 HD3 ARG 16 1HD ARG 16 -36.788 -5.377 -25.735 113 HE ARG 16 HE ARG 16 -35.522 -2.906 -26.518 114 HH11 ARG 16 1HH1 ARG 16 -37.172 -4.617 -23.960 115 HH12 ARG 16 2HH1 ARG 16 -37.688 -3.171 -23.158 116 HH21 ARG 16 1HH2 ARG 16 -36.199 -1.006 -25.463 117 HH22 ARG 16 2HH2 ARG 16 -37.136 -1.123 -24.011 118 H GLY 17 H GLY 17 -32.973 -6.331 -21.917 119 HA2 GLY 17 2HA GLY 17 -34.423 -6.823 -19.530 120 HA3 GLY 17 1HA GLY 17 -33.119 -7.991 -19.691 121 H SER 18 H SER 18 -33.650 -4.478 -19.991 122 HA SER 18 HA SER 18 -31.590 -3.921 -18.075 123 HB2 SER 18 2HB SER 18 -31.070 -2.889 -20.860 124 HB3 SER 18 1HB SER 18 -29.986 -2.881 -19.470 125 HG SER 18 HG SER 18 -30.802 -5.083 -21.048 126 H HIS 19 H HIS 19 -31.118 -1.402 -18.192 127 HA HIS 19 HA HIS 19 -33.689 -0.149 -17.891 128 HB2 HIS 19 2HB HIS 19 -30.862 0.588 -17.309 129 HB3 HIS 19 1HB HIS 19 -32.022 1.898 -17.500 130 HD1 HIS 19 1HD HIS 19 -30.948 1.831 -14.805 131 HD2 HIS 19 2HD HIS 19 -34.093 -0.659 -15.889 132 HE1 HIS 19 1HE HIS 19 -32.078 1.198 -12.650 133 HE2 HIS 19 2HE HIS 19 -34.031 -0.239 -13.339 134 H MET 20 H MET 20 -30.837 1.212 -19.513 135 HA MET 20 HA MET 20 -32.265 1.540 -22.001 136 HB2 MET 20 2HB MET 20 -31.573 3.903 -20.256 137 HB3 MET 20 1HB MET 20 -31.870 4.048 -21.984 138 HG2 MET 20 2HG MET 20 -33.817 3.049 -19.918 139 HG3 MET 20 1HG MET 20 -33.851 4.619 -20.718 140 HE1 MET 20 3HE MET 20 -34.266 3.949 -24.264 141 HE2 MET 20 1HE MET 20 -34.047 5.068 -22.918 142 HE3 MET 20 2HE MET 20 -35.671 4.586 -23.410 143 H SER 21 H SER 21 -29.813 0.267 -21.047 144 HA SER 21 HA SER 21 -27.661 -0.048 -21.707 145 HB2 SER 21 2HB SER 21 -28.167 1.845 -23.994 146 HB3 SER 21 1HB SER 21 -27.114 0.431 -23.950 147 HG SER 21 HG SER 21 -29.160 -0.774 -23.615 148 H LEU 22 H LEU 22 -26.490 0.899 -20.103 149 HA LEU 22 HA LEU 22 -25.755 3.727 -20.484 150 HB2 LEU 22 2HB LEU 22 -25.318 3.816 -18.073 151 HB3 LEU 22 1HB LEU 22 -26.987 3.405 -18.425 152 HG LEU 22 HG LEU 22 -25.086 1.165 -17.950 153 HD11 LEU 22 1HD1 LEU 22 -24.565 2.820 -16.187 154 HD12 LEU 22 2HD1 LEU 22 -25.287 1.338 -15.559 155 HD13 LEU 22 3HD1 LEU 22 -26.263 2.800 -15.710 156 HD21 LEU 22 3HD2 LEU 22 -27.984 1.718 -17.767 157 HD22 LEU 22 1HD2 LEU 22 -27.314 0.597 -16.583 158 HD23 LEU 22 2HD2 LEU 22 -27.135 0.269 -18.307 159 H ASP 23 H ASP 23 -24.462 1.587 -21.834 160 HA ASP 23 HA ASP 23 -21.814 1.660 -20.542 161 HB2 ASP 23 2HB ASP 23 -23.243 -0.610 -21.041 162 HB3 ASP 23 1HB ASP 23 -22.283 -0.484 -22.512 163 H GLU 24 H GLU 24 -19.995 1.394 -22.149 164 HA GLU 24 HA GLU 24 -20.315 1.956 -24.878 165 HB2 GLU 24 2HB GLU 24 -19.653 4.293 -24.986 166 HB3 GLU 24 1HB GLU 24 -21.136 4.129 -24.056 167 HG2 GLU 24 2HG GLU 24 -19.945 4.403 -21.995 168 HG3 GLU 24 1HG GLU 24 -18.397 4.377 -22.838 169 H ASN 25 H ASN 25 -18.086 3.235 -25.600 170 HA ASN 25 HA ASN 25 -15.842 3.009 -25.877 171 HB2 ASN 25 2HB ASN 25 -15.814 3.893 -23.540 172 HB3 ASN 25 1HB ASN 25 -15.799 2.232 -22.953 173 HD21 ASN 25 1HD2 ASN 25 -14.005 4.669 -24.699 174 HD22 ASN 25 2HD2 ASN 25 -12.453 3.935 -24.515 175 H GLU 26 H GLU 26 -17.681 0.703 -26.193 176 HA GLU 26 HA GLU 26 -17.605 -1.522 -26.664 177 HB2 GLU 26 2HB GLU 26 -15.442 -0.424 -27.828 178 HB3 GLU 26 1HB GLU 26 -14.641 -1.566 -26.758 179 HG2 GLU 26 2HG GLU 26 -14.888 -2.822 -28.651 180 HG3 GLU 26 1HG GLU 26 -16.341 -3.266 -27.758 181 H VAL 27 H VAL 27 -18.268 -2.536 -24.833 182 HA VAL 27 HA VAL 27 -16.250 -3.903 -23.286 183 HB VAL 27 HB VAL 27 -17.145 -3.178 -21.093 184 HG11 VAL 27 1HG1 VAL 27 -16.208 -0.755 -22.595 185 HG12 VAL 27 2HG1 VAL 27 -15.142 -2.126 -22.292 186 HG13 VAL 27 3HG1 VAL 27 -15.846 -1.239 -20.939 187 HG21 VAL 27 3HG2 VAL 27 -19.272 -2.226 -22.459 188 HG22 VAL 27 1HG2 VAL 27 -18.355 -0.738 -22.215 189 HG23 VAL 27 2HG2 VAL 27 -18.840 -1.714 -20.827 190 H ALA 28 H ALA 28 -17.344 -5.331 -21.580 191 HA ALA 28 HA ALA 28 -20.102 -6.008 -22.040 192 HB1 ALA 28 1HB ALA 28 -19.748 -8.246 -22.878 193 HB2 ALA 28 2HB ALA 28 -18.000 -8.016 -22.845 194 HB3 ALA 28 3HB ALA 28 -18.992 -7.083 -23.967 195 H ALA 29 H ALA 29 -19.931 -5.446 -19.747 196 HA ALA 29 HA ALA 29 -19.167 -7.799 -18.158 197 HB1 ALA 29 1HB ALA 29 -17.390 -6.346 -17.694 198 HB2 ALA 29 2HB ALA 29 -18.497 -6.133 -16.337 199 HB3 ALA 29 3HB ALA 29 -18.443 -4.934 -17.629 200 H ASN 30 H ASN 30 -20.126 -7.593 -15.868 201 HA ASN 30 HA ASN 30 -22.900 -6.641 -16.141 202 HB2 ASN 30 2HB ASN 30 -21.726 -8.937 -14.571 203 HB3 ASN 30 1HB ASN 30 -23.360 -8.340 -14.302 204 HD21 ASN 30 1HD2 ASN 30 -21.239 -9.384 -16.945 205 HD22 ASN 30 2HD2 ASN 30 -22.462 -10.235 -17.818 206 H VAL 31 H VAL 31 -20.903 -7.516 -13.331 207 HA VAL 31 HA VAL 31 -21.053 -4.785 -12.330 208 HB VAL 31 HB VAL 31 -21.852 -5.607 -10.089 209 HG11 VAL 31 1HG1 VAL 31 -24.069 -5.214 -10.604 210 HG12 VAL 31 2HG1 VAL 31 -23.984 -6.108 -12.121 211 HG13 VAL 31 3HG1 VAL 31 -23.244 -4.513 -11.996 212 HG21 VAL 31 3HG2 VAL 31 -23.052 -7.704 -9.971 213 HG22 VAL 31 1HG2 VAL 31 -21.392 -7.999 -10.490 214 HG23 VAL 31 2HG2 VAL 31 -22.704 -8.031 -11.668 215 H GLU 32 H GLU 32 -19.293 -4.228 -11.177 216 HA GLU 32 HA GLU 32 -17.019 -5.853 -11.145 217 HB2 GLU 32 2HB GLU 32 -16.135 -4.129 -9.501 218 HB3 GLU 32 1HB GLU 32 -16.683 -3.514 -11.054 219 HG2 GLU 32 2HG GLU 32 -17.953 -2.073 -9.966 220 HG3 GLU 32 1HG GLU 32 -18.925 -3.428 -9.395 221 H THR 33 H THR 33 -19.429 -5.200 -8.649 222 HA THR 33 HA THR 33 -19.730 -6.041 -6.544 223 HB THR 33 HB THR 33 -20.499 -7.880 -8.014 224 HG1 THR 33 1HG THR 33 -19.265 -8.580 -5.567 225 HG21 THR 33 3HG2 THR 33 -18.667 -8.680 -9.189 226 HG22 THR 33 1HG2 THR 33 -18.987 -9.944 -8.003 227 HG23 THR 33 2HG2 THR 33 -17.668 -8.803 -7.740 228 H ARG 34 H ARG 34 -17.220 -4.868 -6.760 229 HA ARG 34 HA ARG 34 -15.064 -6.455 -5.959 230 HB2 ARG 34 2HB ARG 34 -15.320 -3.868 -6.626 231 HB3 ARG 34 1HB ARG 34 -15.234 -3.697 -4.878 232 HG2 ARG 34 2HG ARG 34 -13.043 -3.465 -5.951 233 HG3 ARG 34 1HG ARG 34 -13.100 -4.832 -4.837 234 HD2 ARG 34 2HD ARG 34 -12.828 -6.351 -6.482 235 HD3 ARG 34 1HD ARG 34 -13.814 -5.442 -7.626 236 HE ARG 34 HE ARG 34 -10.975 -5.381 -7.386 237 HH11 ARG 34 1HH1 ARG 34 -13.749 -3.432 -8.214 238 HH12 ARG 34 2HH1 ARG 34 -12.852 -2.371 -9.247 239 HH21 ARG 34 1HH2 ARG 34 -9.793 -3.986 -8.743 240 HH22 ARG 34 2HH2 ARG 34 -10.606 -2.686 -9.548 241 HA PRO 35 HA PRO 35 -16.210 -7.471 -1.788 242 HB2 PRO 35 2HB PRO 35 -13.809 -8.330 -0.890 243 HB3 PRO 35 1HB PRO 35 -14.790 -9.271 -2.019 244 HG2 PRO 35 2HG PRO 35 -12.441 -7.498 -2.570 245 HG3 PRO 35 1HG PRO 35 -12.812 -9.100 -3.233 246 HD2 PRO 35 2HD PRO 35 -13.293 -6.797 -4.589 247 HD3 PRO 35 1HD PRO 35 -14.286 -8.255 -4.785 248 H GLU 36 H GLU 36 -14.762 -7.245 0.461 249 HA GLU 36 HA GLU 36 -14.681 -4.381 0.866 250 HB2 GLU 36 2HB GLU 36 -15.773 -5.832 2.521 251 HB3 GLU 36 1HB GLU 36 -14.247 -6.657 2.810 252 HG2 GLU 36 2HG GLU 36 -14.292 -5.205 4.569 253 HG3 GLU 36 1HG GLU 36 -13.394 -4.257 3.383 254 H LEU 37 H LEU 37 -12.896 -3.242 0.534 255 HA LEU 37 HA LEU 37 -10.342 -4.451 0.208 256 HB2 LEU 37 2HB LEU 37 -11.131 -1.549 0.478 257 HB3 LEU 37 1HB LEU 37 -9.518 -2.101 0.062 258 HG LEU 37 HG LEU 37 -12.024 -2.468 -1.579 259 HD11 LEU 37 1HD1 LEU 37 -11.136 -0.227 -1.702 260 HD12 LEU 37 2HD1 LEU 37 -10.796 -1.080 -3.207 261 HD13 LEU 37 3HD1 LEU 37 -9.517 -0.852 -2.014 262 HD21 LEU 37 3HD2 LEU 37 -10.628 -4.443 -1.770 263 HD22 LEU 37 1HD2 LEU 37 -9.215 -3.440 -2.093 264 HD23 LEU 37 2HD2 LEU 37 -10.542 -3.492 -3.252 265 H ILE 38 H ILE 38 -9.094 -5.153 1.779 266 HA ILE 38 HA ILE 38 -9.260 -3.894 4.425 267 HB ILE 38 HB ILE 38 -7.655 -6.009 4.893 268 HG12 ILE 38 2HG1 ILE 38 -9.510 -6.876 2.663 269 HG13 ILE 38 1HG1 ILE 38 -7.750 -6.869 2.617 270 HG21 ILE 38 1HG2 ILE 38 -9.322 -6.183 6.347 271 HG22 ILE 38 2HG2 ILE 38 -10.210 -7.096 5.126 272 HG23 ILE 38 3HG2 ILE 38 -10.437 -5.351 5.263 273 HD11 ILE 38 3HD1 ILE 38 -7.622 -8.631 4.201 274 HD12 ILE 38 1HD1 ILE 38 -8.801 -9.104 2.977 275 HD13 ILE 38 2HD1 ILE 38 -9.348 -8.523 4.550 276 H THR 39 H THR 39 -6.891 -4.302 5.559 277 HA THR 39 HA THR 39 -4.712 -3.578 3.780 278 HB THR 39 HB THR 39 -4.438 -1.496 5.496 279 HG1 THR 39 1HG THR 39 -6.362 -0.593 5.944 280 HG21 THR 39 3HG2 THR 39 -5.965 -1.474 2.906 281 HG22 THR 39 1HG2 THR 39 -4.236 -1.209 3.129 282 HG23 THR 39 2HG2 THR 39 -5.396 -0.033 3.748 283 H ARG 40 H ARG 40 -2.848 -4.176 4.541 284 HA ARG 40 HA ARG 40 -2.237 -4.374 7.351 285 HB2 ARG 40 2HB ARG 40 -3.401 -6.543 6.826 286 HB3 ARG 40 1HB ARG 40 -2.146 -6.874 5.641 287 HG2 ARG 40 2HG ARG 40 -1.193 -7.982 7.340 288 HG3 ARG 40 1HG ARG 40 -0.634 -6.377 7.817 289 HD2 ARG 40 2HD ARG 40 -3.061 -7.843 8.841 290 HD3 ARG 40 1HD ARG 40 -1.586 -7.478 9.732 291 HE ARG 40 HE ARG 40 -3.797 -5.713 9.241 292 HH11 ARG 40 1HH1 ARG 40 -0.380 -5.881 9.936 293 HH12 ARG 40 2HH1 ARG 40 -0.319 -4.299 10.638 294 HH21 ARG 40 1HH2 ARG 40 -3.717 -3.633 10.164 295 HH22 ARG 40 2HH2 ARG 40 -2.214 -3.023 10.768 296 H THR 41 H THR 41 -0.271 -3.437 7.379 297 HA THR 41 HA THR 41 1.290 -3.347 4.958 298 HB THR 41 HB THR 41 1.261 -1.335 6.208 299 HG1 THR 41 1HG THR 41 3.397 -2.177 5.464 300 HG21 THR 41 3HG2 THR 41 1.673 -3.077 8.552 301 HG22 THR 41 1HG2 THR 41 0.703 -1.616 8.373 302 HG23 THR 41 2HG2 THR 41 2.451 -1.494 8.578 303 H GLU 42 H GLU 42 3.057 -4.295 4.440 304 HA GLU 42 HA GLU 42 4.024 -6.465 6.149 305 HB2 GLU 42 2HB GLU 42 4.973 -6.053 3.343 306 HB3 GLU 42 1HB GLU 42 4.737 -7.553 4.230 307 HG2 GLU 42 2HG GLU 42 2.197 -6.732 4.094 308 HG3 GLU 42 1HG GLU 42 2.828 -5.963 2.637 309 H GLU 43 H GLU 43 6.082 -6.555 6.874 310 HA GLU 43 HA GLU 43 7.544 -4.146 7.109 311 HB2 GLU 43 2HB GLU 43 7.982 -6.986 7.903 312 HB3 GLU 43 1HB GLU 43 9.376 -5.914 7.886 313 HG2 GLU 43 2HG GLU 43 8.782 -5.413 9.971 314 HG3 GLU 43 1HG GLU 43 7.534 -4.416 9.224 315 H ILE 44 H ILE 44 8.047 -3.367 5.088 316 HA ILE 44 HA ILE 44 9.621 -5.011 3.270 317 HB ILE 44 HB ILE 44 8.611 -2.183 2.926 318 HG12 ILE 44 2HG1 ILE 44 7.442 -4.415 1.375 319 HG13 ILE 44 1HG1 ILE 44 7.058 -4.403 3.094 320 HG21 ILE 44 1HG2 ILE 44 10.428 -2.462 1.459 321 HG22 ILE 44 2HG2 ILE 44 8.992 -2.760 0.477 322 HG23 ILE 44 3HG2 ILE 44 9.958 -4.115 1.061 323 HD11 ILE 44 3HD1 ILE 44 5.349 -3.102 2.445 324 HD12 ILE 44 1HD1 ILE 44 6.149 -2.639 0.941 325 HD13 ILE 44 2HD1 ILE 44 6.572 -1.815 2.442 326 HA PRO 45 HA PRO 45 13.209 -2.942 5.097 327 HB2 PRO 45 2HB PRO 45 14.996 -4.853 4.614 328 HB3 PRO 45 1HB PRO 45 13.745 -5.074 5.846 329 HG2 PRO 45 2HG PRO 45 13.870 -6.148 3.056 330 HG3 PRO 45 1HG PRO 45 13.339 -6.954 4.544 331 HD2 PRO 45 2HD PRO 45 11.655 -5.803 2.662 332 HD3 PRO 45 1HD PRO 45 11.221 -6.142 4.347 333 H PHE 46 H PHE 46 15.034 -1.918 4.295 334 HA PHE 46 HA PHE 46 15.048 -1.456 1.433 335 HB2 PHE 46 2HB PHE 46 16.540 0.384 1.926 336 HB3 PHE 46 1HB PHE 46 15.204 0.420 3.070 337 HD1 PHE 46 2HD PHE 46 15.567 -0.346 5.405 338 HD2 PHE 46 1HD PHE 46 18.775 0.104 2.649 339 HE1 PHE 46 2HE PHE 46 17.163 -0.340 7.274 340 HE2 PHE 46 1HE PHE 46 20.379 0.110 4.515 341 HZ PHE 46 HZ PHE 46 19.574 -0.112 6.830 342 H GLU 47 H GLU 47 17.549 -0.899 0.758 343 HA GLU 47 HA GLU 47 19.372 -2.989 1.570 344 HB2 GLU 47 2HB GLU 47 18.054 -2.969 -1.133 345 HB3 GLU 47 1HB GLU 47 19.644 -3.681 -0.902 346 HG2 GLU 47 2HG GLU 47 18.509 -5.555 -0.490 347 HG3 GLU 47 1HG GLU 47 18.256 -4.852 1.108 348 H VAL 48 H VAL 48 21.236 -1.958 1.781 349 HA VAL 48 HA VAL 48 21.793 0.556 0.609 350 HB VAL 48 HB VAL 48 23.906 -1.291 1.696 351 HG11 VAL 48 1HG1 VAL 48 24.495 1.153 2.628 352 HG12 VAL 48 2HG1 VAL 48 23.643 1.597 1.148 353 HG13 VAL 48 3HG1 VAL 48 25.060 0.548 1.072 354 HG21 VAL 48 3HG2 VAL 48 21.572 -0.388 3.077 355 HG22 VAL 48 1HG2 VAL 48 22.993 0.397 3.762 356 HG23 VAL 48 2HG2 VAL 48 22.912 -1.362 3.680 357 H ILE 49 H ILE 49 23.376 1.118 -0.937 358 HA ILE 49 HA ILE 49 24.227 -1.059 -2.725 359 HB ILE 49 HB ILE 49 23.231 1.638 -3.652 360 HG12 ILE 49 2HG1 ILE 49 21.483 -0.089 -4.724 361 HG13 ILE 49 1HG1 ILE 49 21.877 -0.979 -3.257 362 HG21 ILE 49 1HG2 ILE 49 23.224 0.341 -5.881 363 HG22 ILE 49 2HG2 ILE 49 24.322 -0.769 -5.059 364 HG23 ILE 49 3HG2 ILE 49 24.763 0.928 -5.249 365 HD11 ILE 49 3HD1 ILE 49 20.626 1.729 -3.517 366 HD12 ILE 49 1HD1 ILE 49 21.342 1.168 -2.005 367 HD13 ILE 49 2HD1 ILE 49 19.991 0.289 -2.722 368 H LYS 50 H LYS 50 26.108 -0.589 -4.014 369 HA LYS 50 HA LYS 50 27.864 1.394 -2.733 370 HB2 LYS 50 2HB LYS 50 28.309 -1.249 -2.898 371 HB3 LYS 50 1HB LYS 50 29.016 -0.753 -4.430 372 HG2 LYS 50 2HG LYS 50 30.562 0.695 -3.330 373 HG3 LYS 50 1HG LYS 50 29.760 0.455 -1.776 374 HD2 LYS 50 2HD LYS 50 31.561 -0.978 -1.601 375 HD3 LYS 50 1HD LYS 50 30.302 -2.060 -2.202 376 HE2 LYS 50 2HE LYS 50 31.868 -2.617 -3.722 377 HE3 LYS 50 1HE LYS 50 31.312 -1.152 -4.531 378 HZ1 LYS 50 3HZ LYS 50 33.809 -1.667 -3.137 379 HZ2 LYS 50 1HZ LYS 50 33.134 -0.135 -2.893 380 HZ3 LYS 50 2HZ LYS 50 33.494 -0.660 -4.460 381 H LYS 51 H LYS 51 27.664 3.203 -3.941 382 HA LYS 51 HA LYS 51 27.787 2.982 -6.858 383 HB2 LYS 51 2HB LYS 51 27.232 5.416 -5.153 384 HB3 LYS 51 1HB LYS 51 27.062 5.305 -6.899 385 HG2 LYS 51 2HG LYS 51 25.529 3.331 -5.345 386 HG3 LYS 51 1HG LYS 51 25.028 5.013 -5.165 387 HD2 LYS 51 2HD LYS 51 25.345 4.851 -7.854 388 HD3 LYS 51 1HD LYS 51 24.818 3.209 -7.479 389 HE2 LYS 51 2HE LYS 51 23.336 5.481 -6.260 390 HE3 LYS 51 1HE LYS 51 23.087 5.148 -7.973 391 HZ1 LYS 51 3HZ LYS 51 21.483 3.989 -6.576 392 HZ2 LYS 51 1HZ LYS 51 22.736 3.181 -5.775 393 HZ3 LYS 51 2HZ LYS 51 22.456 2.894 -7.418 394 H GLU 52 H GLU 52 29.231 4.313 -8.081 395 HA GLU 52 HA GLU 52 31.741 4.848 -6.647 396 HB2 GLU 52 2HB GLU 52 32.868 4.568 -8.786 397 HB3 GLU 52 1HB GLU 52 31.873 3.162 -8.437 398 HG2 GLU 52 2HG GLU 52 30.093 4.362 -9.875 399 HG3 GLU 52 1HG GLU 52 31.455 5.312 -10.465 400 H ASN 53 H ASN 53 32.569 6.848 -6.573 401 HA ASN 53 HA ASN 53 31.488 8.894 -8.379 402 HB2 ASN 53 2HB ASN 53 31.474 8.891 -5.394 403 HB3 ASN 53 1HB ASN 53 31.728 10.421 -6.230 404 HD21 ASN 53 1HD2 ASN 53 29.803 11.321 -5.626 405 HD22 ASN 53 2HD2 ASN 53 28.274 10.764 -6.206 406 HA PRO 54 HA PRO 54 35.966 9.364 -8.735 407 HB2 PRO 54 2HB PRO 54 35.883 11.190 -10.755 408 HB3 PRO 54 1HB PRO 54 35.703 9.450 -11.013 409 HG2 PRO 54 2HG PRO 54 33.594 11.566 -10.826 410 HG3 PRO 54 1HG PRO 54 33.720 10.205 -11.959 411 HD2 PRO 54 2HD PRO 54 32.089 10.143 -9.807 412 HD3 PRO 54 1HD PRO 54 32.899 8.688 -10.425 413 H ASN 55 H ASN 55 33.570 11.885 -8.321 414 HA ASN 55 HA ASN 55 35.263 14.076 -7.910 415 HB2 ASN 55 2HB ASN 55 33.316 14.981 -6.546 416 HB3 ASN 55 1HB ASN 55 32.949 14.512 -8.204 417 HD21 ASN 55 1HD2 ASN 55 31.453 12.987 -8.572 418 HD22 ASN 55 2HD2 ASN 55 30.608 12.123 -7.337 419 H LEU 56 H LEU 56 34.296 11.468 -5.789 420 HA LEU 56 HA LEU 56 35.121 12.621 -3.348 421 HB2 LEU 56 2HB LEU 56 34.629 9.823 -4.290 422 HB3 LEU 56 1HB LEU 56 35.358 10.094 -2.720 423 HG LEU 56 HG LEU 56 32.685 11.199 -3.582 424 HD11 LEU 56 1HD1 LEU 56 33.015 8.634 -3.222 425 HD12 LEU 56 2HD1 LEU 56 31.632 9.463 -2.508 426 HD13 LEU 56 3HD1 LEU 56 33.037 9.080 -1.515 427 HD21 LEU 56 3HD2 LEU 56 33.496 12.645 -1.944 428 HD22 LEU 56 1HD2 LEU 56 34.275 11.343 -1.045 429 HD23 LEU 56 2HD2 LEU 56 32.517 11.492 -1.036 430 HA PRO 57 HA PRO 57 39.501 12.040 -3.518 431 HB2 PRO 57 2HB PRO 57 40.157 11.880 -0.941 432 HB3 PRO 57 1HB PRO 57 39.410 13.342 -1.598 433 HG2 PRO 57 2HG PRO 57 38.179 11.140 0.004 434 HG3 PRO 57 1HG PRO 57 37.899 12.888 0.097 435 HD2 PRO 57 2HD PRO 57 36.279 11.070 -1.246 436 HD3 PRO 57 1HD PRO 57 36.305 12.820 -1.527 437 H ALA 58 H ALA 58 37.909 9.500 -3.750 438 HA ALA 58 HA ALA 58 38.312 7.264 -3.857 439 HB1 ALA 58 1HB ALA 58 40.458 7.996 -4.813 440 HB2 ALA 58 2HB ALA 58 40.608 6.496 -3.896 441 HB3 ALA 58 3HB ALA 58 41.155 8.019 -3.193 442 H GLY 59 H GLY 59 38.063 5.555 -2.506 443 HA2 GLY 59 2HA GLY 59 37.781 4.418 -0.534 444 HA3 GLY 59 1HA GLY 59 39.269 5.193 -0.015 445 H GLN 60 H GLN 60 36.440 7.043 -0.884 446 HA GLN 60 HA GLN 60 36.166 7.818 1.942 447 HB2 GLN 60 2HB GLN 60 36.687 9.447 -0.157 448 HB3 GLN 60 1HB GLN 60 34.929 9.513 -0.140 449 HG2 GLN 60 2HG GLN 60 35.594 9.842 2.508 450 HG3 GLN 60 1HG GLN 60 36.862 10.723 1.657 451 HE21 GLN 60 1HE2 GLN 60 33.515 10.589 2.465 452 HE22 GLN 60 2HE2 GLN 60 33.073 12.129 1.816 453 H GLU 61 H GLU 61 34.145 7.922 2.895 454 HA GLU 61 HA GLU 61 31.982 6.607 1.388 455 HB2 GLU 61 2HB GLU 61 32.906 6.358 4.212 456 HB3 GLU 61 1HB GLU 61 31.188 6.178 3.888 457 HG2 GLU 61 2HG GLU 61 31.664 4.036 3.529 458 HG3 GLU 61 1HG GLU 61 32.293 4.580 1.974 459 H ASN 62 H ASN 62 30.341 7.888 0.892 460 HA ASN 62 HA ASN 62 29.627 10.057 2.749 461 HB2 ASN 62 2HB ASN 62 30.786 10.990 0.786 462 HB3 ASN 62 1HB ASN 62 29.613 10.215 -0.273 463 HD21 ASN 62 1HD2 ASN 62 28.197 11.589 -1.033 464 HD22 ASN 62 2HD2 ASN 62 27.522 12.940 -0.190 465 H ILE 63 H ILE 63 27.654 9.766 3.523 466 HA ILE 63 HA ILE 63 25.777 8.050 2.106 467 HB ILE 63 HB ILE 63 25.467 9.361 4.809 468 HG12 ILE 63 2HG1 ILE 63 26.386 6.569 4.085 469 HG13 ILE 63 1HG1 ILE 63 27.389 7.839 4.779 470 HG21 ILE 63 1HG2 ILE 63 23.851 7.301 4.990 471 HG22 ILE 63 2HG2 ILE 63 23.833 7.431 3.233 472 HG23 ILE 63 3HG2 ILE 63 23.320 8.798 4.223 473 HD11 ILE 63 3HD1 ILE 63 25.973 7.806 6.793 474 HD12 ILE 63 1HD1 ILE 63 26.763 6.261 6.480 475 HD13 ILE 63 2HD1 ILE 63 25.055 6.472 6.095 476 H ILE 64 H ILE 64 24.017 8.733 1.061 477 HA ILE 64 HA ILE 64 23.472 11.621 1.040 478 HB ILE 64 HB ILE 64 22.514 9.586 -0.969 479 HG12 ILE 64 2HG1 ILE 64 24.857 11.459 -1.310 480 HG13 ILE 64 1HG1 ILE 64 25.046 9.791 -0.776 481 HG21 ILE 64 1HG2 ILE 64 22.891 12.409 -1.700 482 HG22 ILE 64 2HG2 ILE 64 21.603 12.091 -0.538 483 HG23 ILE 64 3HG2 ILE 64 21.590 11.291 -2.111 484 HD11 ILE 64 3HD1 ILE 64 25.113 10.639 -3.359 485 HD12 ILE 64 1HD1 ILE 64 23.448 10.083 -3.201 486 HD13 ILE 64 2HD1 ILE 64 24.781 8.986 -2.839 487 H THR 65 H THR 65 21.886 8.460 1.204 488 HA THR 65 HA THR 65 19.706 9.668 2.720 489 HB THR 65 HB THR 65 19.184 7.876 0.341 490 HG1 THR 65 1HG THR 65 19.208 9.615 -0.797 491 HG21 THR 65 3HG2 THR 65 17.520 8.778 2.514 492 HG22 THR 65 1HG2 THR 65 17.183 7.602 1.244 493 HG23 THR 65 2HG2 THR 65 16.902 9.319 0.954 494 H ALA 66 H ALA 66 20.419 8.582 4.536 495 HA ALA 66 HA ALA 66 21.327 6.044 4.865 496 HB1 ALA 66 1HB ALA 66 21.333 7.300 6.795 497 HB2 ALA 66 2HB ALA 66 20.037 6.149 7.122 498 HB3 ALA 66 3HB ALA 66 19.650 7.791 6.607 499 H GLY 67 H GLY 67 20.594 4.051 4.548 500 HA2 GLY 67 2HA GLY 67 17.982 3.579 3.508 501 HA3 GLY 67 1HA GLY 67 19.176 2.352 3.913 502 H VAL 68 H VAL 68 16.139 3.184 4.540 503 HA VAL 68 HA VAL 68 16.230 2.001 7.220 504 HB VAL 68 HB VAL 68 14.457 4.353 6.559 505 HG11 VAL 68 1HG1 VAL 68 13.891 4.352 8.881 506 HG12 VAL 68 2HG1 VAL 68 15.090 3.105 9.227 507 HG13 VAL 68 3HG1 VAL 68 13.662 2.714 8.269 508 HG21 VAL 68 3HG2 VAL 68 15.900 5.748 7.843 509 HG22 VAL 68 1HG2 VAL 68 16.897 4.925 6.644 510 HG23 VAL 68 2HG2 VAL 68 16.901 4.376 8.319 511 H LYS 69 H LYS 69 14.639 0.565 7.640 512 HA LYS 69 HA LYS 69 13.160 -0.483 5.466 513 HB2 LYS 69 2HB LYS 69 12.738 -1.048 8.403 514 HB3 LYS 69 1HB LYS 69 12.271 -2.070 7.052 515 HG2 LYS 69 2HG LYS 69 14.410 -2.801 6.684 516 HG3 LYS 69 1HG LYS 69 15.140 -1.354 7.377 517 HD2 LYS 69 2HD LYS 69 13.858 -2.359 9.540 518 HD3 LYS 69 1HD LYS 69 14.265 -3.846 8.678 519 HE2 LYS 69 2HE LYS 69 16.224 -3.650 9.766 520 HE3 LYS 69 1HE LYS 69 16.601 -2.500 8.483 521 HZ1 LYS 69 3HZ LYS 69 15.604 -1.884 11.208 522 HZ2 LYS 69 1HZ LYS 69 15.713 -0.735 9.971 523 HZ3 LYS 69 2HZ LYS 69 17.111 -1.486 10.553 524 H GLY 70 H GLY 70 11.379 0.336 4.615 525 HA2 GLY 70 2HA GLY 70 9.746 2.225 6.070 526 HA3 GLY 70 1HA GLY 70 9.511 1.700 4.406 527 H GLU 71 H GLU 71 7.278 1.321 4.625 528 HA GLU 71 HA GLU 71 6.556 -1.254 5.413 529 HB2 GLU 71 2HB GLU 71 6.346 0.827 7.502 530 HB3 GLU 71 1HB GLU 71 4.888 -0.122 7.254 531 HG2 GLU 71 2HG GLU 71 5.737 -1.851 8.344 532 HG3 GLU 71 1HG GLU 71 7.202 -1.828 7.362 533 H ARG 72 H ARG 72 5.228 -1.489 3.750 534 HA ARG 72 HA ARG 72 3.390 0.705 3.155 535 HB2 ARG 72 2HB ARG 72 4.057 0.392 1.053 536 HB3 ARG 72 1HB ARG 72 4.930 -1.056 1.478 537 HG2 ARG 72 2HG ARG 72 3.020 -2.418 1.118 538 HG3 ARG 72 1HG ARG 72 1.976 -1.009 0.956 539 HD2 ARG 72 2HD ARG 72 2.400 -1.842 -1.237 540 HD3 ARG 72 1HD ARG 72 3.316 -0.351 -1.052 541 HE ARG 72 HE ARG 72 4.821 -2.717 -0.429 542 HH11 ARG 72 1HH1 ARG 72 3.796 -0.570 -2.980 543 HH12 ARG 72 2HH1 ARG 72 5.121 -0.972 -4.020 544 HH21 ARG 72 1HH2 ARG 72 6.564 -3.248 -1.795 545 HH22 ARG 72 2HH2 ARG 72 6.691 -2.493 -3.348 546 H THR 73 H THR 73 1.287 0.442 3.166 547 HA THR 73 HA THR 73 0.251 -1.780 4.649 548 HB THR 73 HB THR 73 -1.255 0.420 3.232 549 HG1 THR 73 1HG THR 73 -1.050 1.577 5.037 550 HG21 THR 73 3HG2 THR 73 -2.230 -1.002 5.646 551 HG22 THR 73 1HG2 THR 73 -2.430 -1.735 4.053 552 HG23 THR 73 2HG2 THR 73 -3.130 -0.148 4.393 553 H HIS 74 H HIS 74 -0.849 -3.527 3.904 554 HA HIS 74 HA HIS 74 -1.062 -3.720 1.001 555 HB2 HIS 74 2HB HIS 74 0.010 -5.573 2.988 556 HB3 HIS 74 1HB HIS 74 -1.042 -6.326 1.778 557 HD1 HIS 74 1HD HIS 74 1.683 -3.755 1.853 558 HD2 HIS 74 2HD HIS 74 0.337 -6.915 -0.470 559 HE1 HIS 74 1HE HIS 74 3.203 -3.810 -0.166 560 HE2 HIS 74 2HE HIS 74 2.187 -5.555 -1.661 561 H TYR 75 H TYR 75 -2.898 -3.657 0.188 562 HA TYR 75 HA TYR 75 -5.244 -4.122 1.803 563 HB2 TYR 75 2HB TYR 75 -5.573 -3.309 -1.022 564 HB3 TYR 75 1HB TYR 75 -6.338 -2.676 0.426 565 HD1 TYR 75 1HD TYR 75 -3.304 -2.240 1.624 566 HD2 TYR 75 2HD TYR 75 -5.449 -0.933 -1.802 567 HE1 TYR 75 1HE TYR 75 -1.851 -0.283 1.483 568 HE2 TYR 75 2HE TYR 75 -4.010 1.065 -1.925 569 HH TYR 75 HH TYR 75 -2.241 2.193 0.470 570 H ILE 76 H ILE 76 -5.915 -6.123 1.955 571 HA ILE 76 HA ILE 76 -5.605 -7.975 -0.265 572 HB ILE 76 HB ILE 76 -6.460 -8.334 2.602 573 HG12 ILE 76 2HG1 ILE 76 -4.424 -9.697 2.741 574 HG13 ILE 76 1HG1 ILE 76 -4.102 -9.400 1.037 575 HG21 ILE 76 1HG2 ILE 76 -6.482 -10.349 0.369 576 HG22 ILE 76 2HG2 ILE 76 -7.810 -9.890 1.431 577 HG23 ILE 76 3HG2 ILE 76 -6.442 -10.800 2.073 578 HD11 ILE 76 3HD1 ILE 76 -4.393 -7.067 2.849 579 HD12 ILE 76 1HD1 ILE 76 -3.401 -7.263 1.405 580 HD13 ILE 76 2HD1 ILE 76 -2.912 -8.022 2.921 581 H SER 77 H SER 77 -7.371 -9.289 -1.016 582 HA SER 77 HA SER 77 -9.972 -7.912 -0.841 583 HB2 SER 77 2HB SER 77 -8.540 -9.194 -3.143 584 HB3 SER 77 1HB SER 77 -10.302 -9.154 -3.136 585 HG SER 77 HG SER 77 -8.578 -6.909 -2.897 586 H VAL 78 H VAL 78 -11.313 -9.030 0.406 587 HA VAL 78 HA VAL 78 -11.015 -11.874 0.786 588 HB VAL 78 HB VAL 78 -12.982 -11.652 2.288 589 HG11 VAL 78 1HG1 VAL 78 -10.736 -9.691 2.738 590 HG12 VAL 78 2HG1 VAL 78 -10.757 -11.394 3.193 591 HG13 VAL 78 3HG1 VAL 78 -11.850 -10.258 3.981 592 HG21 VAL 78 3HG2 VAL 78 -13.236 -9.136 0.894 593 HG22 VAL 78 1HG2 VAL 78 -13.173 -8.891 2.639 594 HG23 VAL 78 2HG2 VAL 78 -14.388 -9.962 1.942 595 H LEU 79 H LEU 79 -11.554 -12.991 -1.027 596 HA LEU 79 HA LEU 79 -14.231 -12.532 -2.159 597 HB2 LEU 79 2HB LEU 79 -11.978 -12.455 -3.538 598 HB3 LEU 79 1HB LEU 79 -12.183 -14.198 -3.545 599 HG LEU 79 HG LEU 79 -14.617 -13.551 -4.384 600 HD11 LEU 79 1HD1 LEU 79 -14.577 -11.231 -4.373 601 HD12 LEU 79 2HD1 LEU 79 -14.231 -11.626 -6.058 602 HD13 LEU 79 3HD1 LEU 79 -12.921 -11.158 -4.974 603 HD21 LEU 79 3HD2 LEU 79 -12.720 -14.874 -5.495 604 HD22 LEU 79 1HD2 LEU 79 -12.352 -13.370 -6.341 605 HD23 LEU 79 2HD2 LEU 79 -13.931 -14.129 -6.538 606 H THR 80 H THR 80 -15.597 -14.294 -2.563 607 HA THR 80 HA THR 80 -15.299 -16.461 -0.688 608 HB THR 80 HB THR 80 -17.508 -17.058 -2.248 609 HG1 THR 80 1HG THR 80 -17.461 -14.251 -1.904 610 HG21 THR 80 3HG2 THR 80 -17.011 -16.237 0.393 611 HG22 THR 80 1HG2 THR 80 -18.474 -16.971 -0.267 612 HG23 THR 80 2HG2 THR 80 -18.307 -15.215 -0.228 613 H GLU 81 H GLU 81 -13.908 -18.031 -1.203 614 HA GLU 81 HA GLU 81 -14.184 -19.285 -3.852 615 HB2 GLU 81 2HB GLU 81 -11.593 -18.899 -2.343 616 HB3 GLU 81 1HB GLU 81 -11.777 -19.699 -3.898 617 HG2 GLU 81 2HG GLU 81 -12.848 -16.985 -3.839 618 HG3 GLU 81 1HG GLU 81 -11.115 -17.080 -3.527 619 H ASN 82 H ASN 82 -14.641 -21.382 -3.768 620 HA ASN 82 HA ASN 82 -14.976 -23.493 -2.990 621 HB2 ASN 82 2HB ASN 82 -12.490 -22.743 -1.457 622 HB3 ASN 82 1HB ASN 82 -13.233 -24.333 -1.312 623 HD21 ASN 82 1HD2 ASN 82 -11.210 -22.322 -3.148 624 HD22 ASN 82 2HD2 ASN 82 -10.912 -23.411 -4.455 625 H GLY 83 H GLY 83 -16.345 -21.253 -1.730 626 HA2 GLY 83 2HA GLY 83 -17.911 -21.039 -0.054 627 HA3 GLY 83 1HA GLY 83 -17.496 -22.666 0.466 628 H LYS 84 H LYS 84 -15.084 -20.162 0.189 629 HA LYS 84 HA LYS 84 -15.175 -19.575 3.036 630 HB2 LYS 84 2HB LYS 84 -12.649 -20.676 1.803 631 HB3 LYS 84 1HB LYS 84 -12.925 -20.272 3.492 632 HG2 LYS 84 2HG LYS 84 -14.573 -22.083 3.644 633 HG3 LYS 84 1HG LYS 84 -14.253 -22.497 1.958 634 HD2 LYS 84 2HD LYS 84 -12.115 -22.448 4.077 635 HD3 LYS 84 1HD LYS 84 -13.048 -23.893 3.684 636 HE2 LYS 84 2HE LYS 84 -12.001 -24.193 1.696 637 HE3 LYS 84 1HE LYS 84 -11.813 -22.463 1.412 638 HZ1 LYS 84 3HZ LYS 84 -10.224 -23.954 3.422 639 HZ2 LYS 84 1HZ LYS 84 -9.951 -22.388 2.843 640 HZ3 LYS 84 2HZ LYS 84 -9.709 -23.719 1.827 641 H THR 85 H THR 85 -13.479 -17.930 3.626 642 HA THR 85 HA THR 85 -13.186 -16.032 1.399 643 HB THR 85 HB THR 85 -12.761 -14.435 3.451 644 HG1 THR 85 1HG THR 85 -12.834 -16.215 4.955 645 HG21 THR 85 3HG2 THR 85 -15.504 -15.476 2.789 646 HG22 THR 85 1HG2 THR 85 -14.659 -14.149 1.990 647 HG23 THR 85 2HG2 THR 85 -15.159 -13.991 3.675 648 H THR 86 H THR 86 -11.242 -16.806 0.565 649 HA THR 86 HA THR 86 -8.940 -17.248 2.193 650 HB THR 86 HB THR 86 -8.640 -16.653 -0.706 651 HG1 THR 86 1HG THR 86 -10.124 -18.821 0.336 652 HG21 THR 86 3HG2 THR 86 -7.062 -18.332 -0.715 653 HG22 THR 86 1HG2 THR 86 -7.754 -19.131 0.698 654 HG23 THR 86 2HG2 THR 86 -6.859 -17.623 0.887 655 H GLU 87 H GLU 87 -7.026 -16.003 2.286 656 HA GLU 87 HA GLU 87 -7.499 -13.130 1.899 657 HB2 GLU 87 2HB GLU 87 -5.559 -14.590 3.699 658 HB3 GLU 87 1HB GLU 87 -5.620 -12.841 3.522 659 HG2 GLU 87 2HG GLU 87 -8.054 -13.017 4.240 660 HG3 GLU 87 1HG GLU 87 -7.670 -14.668 4.726 661 H THR 88 H THR 88 -6.700 -12.415 0.036 662 HA THR 88 HA THR 88 -3.920 -13.055 -0.622 663 HB THR 88 HB THR 88 -6.234 -13.246 -2.561 664 HG1 THR 88 1HG THR 88 -6.120 -15.283 -2.155 665 HG21 THR 88 3HG2 THR 88 -3.292 -13.183 -3.020 666 HG22 THR 88 1HG2 THR 88 -4.597 -12.451 -3.955 667 HG23 THR 88 2HG2 THR 88 -4.319 -14.191 -4.040 668 H VAL 89 H VAL 89 -2.817 -11.237 -0.919 669 HA VAL 89 HA VAL 89 -4.225 -8.733 -1.268 670 HB VAL 89 HB VAL 89 -2.330 -8.885 0.305 671 HG11 VAL 89 1HG1 VAL 89 -0.651 -9.244 -2.175 672 HG12 VAL 89 2HG1 VAL 89 -0.948 -10.467 -0.940 673 HG13 VAL 89 3HG1 VAL 89 -0.042 -9.009 -0.537 674 HG21 VAL 89 3HG2 VAL 89 -1.616 -6.746 -0.084 675 HG22 VAL 89 1HG2 VAL 89 -3.023 -6.797 -1.145 676 HG23 VAL 89 2HG2 VAL 89 -1.406 -7.011 -1.814 677 H LEU 90 H LEU 90 -3.873 -7.252 -2.959 678 HA LEU 90 HA LEU 90 -2.427 -8.185 -5.309 679 HB2 LEU 90 2HB LEU 90 -5.248 -7.244 -5.672 680 HB3 LEU 90 1HB LEU 90 -4.229 -8.124 -6.794 681 HG LEU 90 HG LEU 90 -4.390 -10.021 -4.975 682 HD11 LEU 90 1HD1 LEU 90 -6.739 -8.245 -4.384 683 HD12 LEU 90 2HD1 LEU 90 -5.563 -8.927 -3.259 684 HD13 LEU 90 3HD1 LEU 90 -6.751 -9.975 -4.035 685 HD21 LEU 90 3HD2 LEU 90 -6.006 -11.055 -6.286 686 HD22 LEU 90 1HD2 LEU 90 -5.291 -9.875 -7.385 687 HD23 LEU 90 2HD2 LEU 90 -6.844 -9.539 -6.622 688 H ASP 91 H ASP 91 -4.380 -5.614 -3.830 689 HA ASP 91 HA ASP 91 -2.791 -3.666 -5.366 690 HB2 ASP 91 2HB ASP 91 -5.448 -3.916 -5.561 691 HB3 ASP 91 1HB ASP 91 -5.381 -2.831 -4.175 692 H SER 92 H SER 92 -1.234 -2.936 -4.086 693 HA SER 92 HA SER 92 -1.976 -1.677 -1.546 694 HB2 SER 92 2HB SER 92 -0.129 -2.630 -0.338 695 HB3 SER 92 1HB SER 92 -1.142 -3.935 -0.964 696 HG SER 92 HG SER 92 1.215 -2.999 -2.239 697 H GLN 93 H GLN 93 -1.201 0.281 -1.509 698 HA GLN 93 HA GLN 93 0.855 1.089 -3.391 699 HB2 GLN 93 2HB GLN 93 -1.196 2.492 -1.736 700 HB3 GLN 93 1HB GLN 93 0.247 3.387 -2.190 701 HG2 GLN 93 2HG GLN 93 -0.467 2.308 -4.568 702 HG3 GLN 93 1HG GLN 93 -2.042 2.526 -3.802 703 HE21 GLN 93 1HE2 GLN 93 -2.814 4.571 -3.444 704 HE22 GLN 93 2HE2 GLN 93 -2.067 5.991 -4.083 705 H VAL 94 H VAL 94 2.587 2.623 -2.499 706 HA VAL 94 HA VAL 94 3.782 1.296 -0.219 707 HB VAL 94 HB VAL 94 4.897 3.597 -1.826 708 HG11 VAL 94 1HG1 VAL 94 7.071 2.448 -0.996 709 HG12 VAL 94 2HG1 VAL 94 6.020 1.736 0.229 710 HG13 VAL 94 3HG1 VAL 94 6.169 3.489 0.105 711 HG21 VAL 94 3HG2 VAL 94 5.742 0.764 -2.237 712 HG22 VAL 94 1HG2 VAL 94 5.844 2.139 -3.336 713 HG23 VAL 94 2HG2 VAL 94 4.289 1.363 -3.038 714 H THR 95 H THR 95 3.151 1.935 1.755 715 HA THR 95 HA THR 95 2.751 4.828 2.148 716 HB THR 95 HB THR 95 1.010 4.382 3.680 717 HG1 THR 95 1HG THR 95 1.701 2.791 4.958 718 HG21 THR 95 3HG2 THR 95 -0.468 3.796 2.145 719 HG22 THR 95 1HG2 THR 95 0.018 2.102 2.291 720 HG23 THR 95 2HG2 THR 95 0.826 3.164 1.130 721 H LYS 96 H LYS 96 4.977 4.955 2.545 722 HA LYS 96 HA LYS 96 5.918 5.553 4.905 723 HB2 LYS 96 2HB LYS 96 5.350 3.488 5.979 724 HB3 LYS 96 1HB LYS 96 6.107 2.549 4.705 725 HG2 LYS 96 2HG LYS 96 7.490 2.519 6.672 726 HG3 LYS 96 1HG LYS 96 8.302 3.425 5.395 727 HD2 LYS 96 2HD LYS 96 7.283 5.508 6.469 728 HD3 LYS 96 1HD LYS 96 6.926 4.474 7.853 729 HE2 LYS 96 2HE LYS 96 9.297 3.919 8.052 730 HE3 LYS 96 1HE LYS 96 9.658 4.937 6.658 731 HZ1 LYS 96 3HZ LYS 96 8.468 5.901 9.203 732 HZ2 LYS 96 1HZ LYS 96 8.913 6.858 7.880 733 HZ3 LYS 96 2HZ LYS 96 10.097 6.050 8.779 734 H GLU 97 H GLU 97 6.577 3.617 2.088 735 HA GLU 97 HA GLU 97 8.310 3.528 0.628 736 HB2 GLU 97 2HB GLU 97 7.801 5.965 0.535 737 HB3 GLU 97 1HB GLU 97 9.024 6.233 1.769 738 HG2 GLU 97 2HG GLU 97 9.890 6.730 -0.438 739 HG3 GLU 97 1HG GLU 97 10.738 5.359 0.276 740 H VAL 98 H VAL 98 9.761 2.000 1.092 741 HA VAL 98 HA VAL 98 11.370 2.040 3.449 742 HB VAL 98 HB VAL 98 10.733 -0.087 2.423 743 HG11 VAL 98 1HG1 VAL 98 12.624 -0.163 0.261 744 HG12 VAL 98 2HG1 VAL 98 11.481 1.161 0.028 745 HG13 VAL 98 3HG1 VAL 98 10.890 -0.486 0.244 746 HG21 VAL 98 3HG2 VAL 98 13.602 -0.289 1.973 747 HG22 VAL 98 1HG2 VAL 98 12.583 -1.079 3.176 748 HG23 VAL 98 2HG2 VAL 98 13.185 0.552 3.466 749 H ILE 99 H ILE 99 12.802 3.624 3.646 750 HA ILE 99 HA ILE 99 14.144 4.892 1.516 751 HB ILE 99 HB ILE 99 14.978 4.790 4.419 752 HG12 ILE 99 2HG1 ILE 99 13.860 7.218 4.115 753 HG13 ILE 99 1HG1 ILE 99 12.905 6.318 2.941 754 HG21 ILE 99 1HG2 ILE 99 15.660 6.810 2.286 755 HG22 ILE 99 2HG2 ILE 99 16.745 5.547 2.868 756 HG23 ILE 99 3HG2 ILE 99 16.207 6.820 3.963 757 HD11 ILE 99 3HD1 ILE 99 13.004 4.747 5.266 758 HD12 ILE 99 1HD1 ILE 99 11.624 5.611 4.591 759 HD13 ILE 99 2HD1 ILE 99 12.664 6.400 5.777 760 H ASN 100 H ASN 100 15.928 4.409 0.427 761 HA ASN 100 HA ASN 100 17.408 1.999 1.197 762 HB2 ASN 100 2HB ASN 100 16.995 3.445 -1.399 763 HB3 ASN 100 1HB ASN 100 18.373 2.366 -1.203 764 HD21 ASN 100 1HD2 ASN 100 18.082 0.247 -1.440 765 HD22 ASN 100 2HD2 ASN 100 16.551 -0.530 -1.641 766 H GLN 101 H GLN 101 19.549 2.007 1.650 767 HA GLN 101 HA GLN 101 20.760 4.476 2.395 768 HB2 GLN 101 2HB GLN 101 21.186 2.404 3.630 769 HB3 GLN 101 1HB GLN 101 21.940 1.703 2.208 770 HG2 GLN 101 2HG GLN 101 23.552 2.512 3.895 771 HG3 GLN 101 1HG GLN 101 23.748 3.261 2.311 772 HE21 GLN 101 1HE2 GLN 101 23.510 3.809 5.581 773 HE22 GLN 101 2HE2 GLN 101 23.185 5.506 5.549 774 H VAL 102 H VAL 102 21.413 5.859 0.869 775 HA VAL 102 HA VAL 102 22.690 4.828 -1.556 776 HB VAL 102 HB VAL 102 21.904 7.681 -0.961 777 HG11 VAL 102 1HG1 VAL 102 22.198 8.088 -3.269 778 HG12 VAL 102 2HG1 VAL 102 22.329 6.369 -3.633 779 HG13 VAL 102 3HG1 VAL 102 23.621 7.185 -2.755 780 HG21 VAL 102 3HG2 VAL 102 20.346 5.596 -2.485 781 HG22 VAL 102 1HG2 VAL 102 19.892 7.285 -2.260 782 HG23 VAL 102 2HG2 VAL 102 19.946 6.193 -0.875 783 H VAL 103 H VAL 103 24.781 4.386 -1.071 784 HA VAL 103 HA VAL 103 26.382 6.574 0.089 785 HB VAL 103 HB VAL 103 28.028 4.727 0.681 786 HG11 VAL 103 1HG1 VAL 103 25.469 5.379 1.971 787 HG12 VAL 103 2HG1 VAL 103 27.113 5.452 2.604 788 HG13 VAL 103 3HG1 VAL 103 26.253 3.914 2.557 789 HG21 VAL 103 3HG2 VAL 103 27.073 2.475 0.951 790 HG22 VAL 103 1HG2 VAL 103 27.132 2.977 -0.739 791 HG23 VAL 103 2HG2 VAL 103 25.604 3.015 0.139 792 H GLU 104 H GLU 104 27.965 7.404 -1.118 793 HA GLU 104 HA GLU 104 28.643 6.026 -3.629 794 HB2 GLU 104 2HB GLU 104 29.121 8.942 -3.038 795 HB3 GLU 104 1HB GLU 104 29.099 8.141 -4.605 796 HG2 GLU 104 2HG GLU 104 26.581 7.758 -3.310 797 HG3 GLU 104 1HG GLU 104 26.995 9.472 -3.297 798 H VAL 105 H VAL 105 30.554 5.061 -3.658 799 HA VAL 105 HA VAL 105 32.617 5.872 -1.760 800 HB VAL 105 HB VAL 105 33.797 3.818 -2.493 801 HG11 VAL 105 1HG1 VAL 105 30.940 3.470 -1.596 802 HG12 VAL 105 2HG1 VAL 105 32.356 3.699 -0.569 803 HG13 VAL 105 3HG1 VAL 105 32.179 2.218 -1.512 804 HG21 VAL 105 3HG2 VAL 105 33.148 2.531 -4.222 805 HG22 VAL 105 1HG2 VAL 105 32.320 3.993 -4.758 806 HG23 VAL 105 2HG2 VAL 105 31.434 2.751 -3.876 807 H GLY 106 H GLY 106 34.649 6.575 -2.333 808 HA2 GLY 106 2HA GLY 106 34.851 7.899 -4.875 809 HA3 GLY 106 1HA GLY 106 36.063 7.891 -3.604 810 H ALA 107 H ALA 107 35.910 7.307 -6.665 811 HA ALA 107 HA ALA 107 37.991 5.314 -6.610 812 HB1 ALA 107 1HB ALA 107 35.262 4.682 -7.641 813 HB2 ALA 107 2HB ALA 107 36.373 3.678 -6.708 814 HB3 ALA 107 3HB ALA 107 36.675 3.971 -8.422 815 HA PRO 108 HA PRO 108 37.933 8.525 -10.090 816 HB2 PRO 108 2HB PRO 108 40.095 9.956 -9.290 817 HB3 PRO 108 1HB PRO 108 38.450 10.327 -8.758 818 HG2 PRO 108 2HG PRO 108 40.606 8.816 -7.333 819 HG3 PRO 108 1HG PRO 108 39.491 10.041 -6.698 820 HD2 PRO 108 2HD PRO 108 39.105 7.384 -6.330 821 HD3 PRO 108 1HD PRO 108 37.761 8.534 -6.482 822 H VAL 109 H VAL 109 38.651 6.094 -10.649 823 HA VAL 109 HA VAL 109 40.078 4.781 -11.842 824 HB VAL 109 HB VAL 109 41.679 7.293 -12.326 825 HG11 VAL 109 1HG1 VAL 109 41.483 4.629 -13.693 826 HG12 VAL 109 2HG1 VAL 109 42.918 5.469 -13.105 827 HG13 VAL 109 3HG1 VAL 109 42.075 6.060 -14.537 828 HG21 VAL 109 3HG2 VAL 109 39.701 8.050 -13.137 829 HG22 VAL 109 1HG2 VAL 109 39.045 6.430 -13.364 830 HG23 VAL 109 2HG2 VAL 109 40.185 7.092 -14.535 831 H THR 110 H THR 110 42.221 3.808 -11.841 832 HA THR 110 HA THR 110 43.463 4.049 -9.215 833 HB THR 110 HB THR 110 44.199 2.035 -11.326 834 HG1 THR 110 1HG THR 110 42.020 1.782 -11.152 835 HG21 THR 110 3HG2 THR 110 44.022 0.945 -8.727 836 HG22 THR 110 1HG2 THR 110 44.963 2.434 -8.627 837 HG23 THR 110 2HG2 THR 110 45.451 1.155 -9.739 838 H HIS 111 H HIS 111 44.696 3.613 -12.538 839 HA HIS 111 HA HIS 111 46.601 5.763 -12.144 840 HB2 HIS 111 2HB HIS 111 48.558 4.388 -12.672 841 HB3 HIS 111 1HB HIS 111 47.776 3.823 -11.198 842 HD1 HIS 111 1HD HIS 111 48.831 2.731 -14.536 843 HD2 HIS 111 2HD HIS 111 46.277 1.376 -11.553 844 HE1 HIS 111 1HE HIS 111 48.366 0.323 -15.092 845 HE2 HIS 111 2HE HIS 111 46.888 -0.500 -13.226 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -40.020 -32.813 -43.085 2 H2 MET 1 2HT MET 1 -41.247 -32.418 -44.219 3 H3 MET 1 3HT MET 1 -40.589 -34.003 -44.178 4 HA MET 1 HA MET 1 -41.859 -32.873 -41.810 5 HB2 MET 1 2HB MET 1 -43.899 -34.253 -42.840 6 HB3 MET 1 1HB MET 1 -43.686 -32.535 -43.137 7 HG2 MET 1 2HG MET 1 -43.292 -32.831 -45.318 8 HG3 MET 1 1HG MET 1 -42.317 -34.275 -45.055 9 HE1 MET 1 2HE MET 1 -44.728 -34.744 -47.722 10 HE2 MET 1 3HE MET 1 -44.150 -36.303 -47.135 11 HE3 MET 1 1HE MET 1 -43.069 -34.909 -47.148 12 H GLY 2 H GLY 2 -42.168 -35.793 -43.833 13 HA2 GLY 2 2HA GLY 2 -41.063 -37.865 -43.285 14 HA3 GLY 2 1HA GLY 2 -41.037 -37.353 -41.606 15 H SER 3 H SER 3 -43.609 -37.571 -44.063 16 HA SER 3 HA SER 3 -45.654 -38.565 -44.034 17 HB2 SER 3 2HB SER 3 -44.080 -40.431 -42.272 18 HB3 SER 3 1HB SER 3 -45.793 -40.704 -42.587 19 HG SER 3 HG SER 3 -45.368 -41.112 -44.661 20 H SER 4 H SER 4 -45.167 -36.370 -42.257 21 HA SER 4 HA SER 4 -46.851 -37.044 -39.945 22 HB2 SER 4 2HB SER 4 -45.072 -34.644 -40.434 23 HB3 SER 4 1HB SER 4 -46.054 -34.895 -38.992 24 HG SER 4 HG SER 4 -43.624 -35.731 -39.376 25 H HIS 5 H HIS 5 -48.888 -36.963 -40.835 26 HA HIS 5 HA HIS 5 -49.698 -34.434 -42.097 27 HB2 HIS 5 2HB HIS 5 -51.151 -37.087 -42.103 28 HB3 HIS 5 1HB HIS 5 -51.591 -35.651 -43.021 29 HD1 HIS 5 1HD HIS 5 -50.091 -38.777 -43.541 30 HD2 HIS 5 2HD HIS 5 -49.149 -34.918 -44.761 31 HE1 HIS 5 1HE HIS 5 -48.595 -39.051 -45.544 32 HE2 HIS 5 2HE HIS 5 -48.108 -36.703 -46.317 33 H HIS 6 H HIS 6 -50.865 -33.050 -40.953 34 HA HIS 6 HA HIS 6 -52.193 -32.148 -39.342 35 HB2 HIS 6 2HB HIS 6 -53.386 -34.837 -39.790 36 HB3 HIS 6 1HB HIS 6 -53.913 -33.945 -38.367 37 HD1 HIS 6 1HD HIS 6 -54.027 -31.107 -39.545 38 HD2 HIS 6 2HD HIS 6 -55.510 -34.485 -41.454 39 HE1 HIS 6 1HE HIS 6 -55.757 -30.260 -41.161 40 HE2 HIS 6 2HE HIS 6 -56.702 -32.329 -42.243 41 H HIS 7 H HIS 7 -51.185 -31.582 -37.534 42 HA HIS 7 HA HIS 7 -49.616 -33.270 -35.944 43 HB2 HIS 7 2HB HIS 7 -50.755 -30.531 -35.627 44 HB3 HIS 7 1HB HIS 7 -50.098 -31.325 -34.200 45 HD1 HIS 7 1HD HIS 7 -49.120 -29.318 -37.043 46 HD2 HIS 7 2HD HIS 7 -47.286 -32.145 -34.611 47 HE1 HIS 7 1HE HIS 7 -46.649 -29.008 -37.395 48 HE2 HIS 7 2HE HIS 7 -45.563 -30.786 -35.980 49 H HIS 8 H HIS 8 -49.955 -33.941 -33.731 50 HA HIS 8 HA HIS 8 -52.786 -34.395 -33.060 51 HB2 HIS 8 2HB HIS 8 -51.026 -36.368 -33.867 52 HB3 HIS 8 1HB HIS 8 -50.972 -36.484 -32.112 53 HD1 HIS 8 1HD HIS 8 -53.110 -37.203 -35.038 54 HD2 HIS 8 2HD HIS 8 -53.469 -37.163 -30.900 55 HE1 HIS 8 1HE HIS 8 -55.237 -38.446 -34.536 56 HE2 HIS 8 2HE HIS 8 -55.477 -38.334 -32.030 57 H HIS 9 H HIS 9 -49.660 -35.105 -31.504 58 HA HIS 9 HA HIS 9 -49.878 -33.083 -29.542 59 HB2 HIS 9 2HB HIS 9 -50.243 -34.688 -27.589 60 HB3 HIS 9 1HB HIS 9 -51.659 -34.278 -28.551 61 HD1 HIS 9 1HD HIS 9 -49.014 -36.962 -29.098 62 HD2 HIS 9 2HD HIS 9 -53.123 -36.549 -28.634 63 HE1 HIS 9 1HE HIS 9 -49.961 -39.270 -29.412 64 HE2 HIS 9 2HE HIS 9 -52.440 -39.010 -29.041 65 H SER 10 H SER 10 -47.902 -34.188 -31.288 66 HA SER 10 HA SER 10 -45.697 -34.743 -31.314 67 HB2 SER 10 2HB SER 10 -45.932 -32.992 -29.301 68 HB3 SER 10 1HB SER 10 -45.407 -34.397 -28.371 69 HG SER 10 HG SER 10 -43.475 -34.065 -29.100 70 H SER 11 H SER 11 -44.015 -36.053 -29.629 71 HA SER 11 HA SER 11 -45.188 -38.715 -29.602 72 HB2 SER 11 2HB SER 11 -42.965 -39.553 -29.507 73 HB3 SER 11 1HB SER 11 -42.909 -38.180 -30.612 74 HG SER 11 HG SER 11 -42.054 -38.293 -27.917 75 H GLY 12 H GLY 12 -43.994 -36.290 -27.387 76 HA2 GLY 12 2HA GLY 12 -44.930 -36.253 -25.148 77 HA3 GLY 12 1HA GLY 12 -44.873 -38.008 -25.155 78 H LEU 13 H LEU 13 -42.217 -36.136 -26.399 79 HA LEU 13 HA LEU 13 -40.636 -36.905 -24.034 80 HB2 LEU 13 2HB LEU 13 -40.056 -36.976 -26.945 81 HB3 LEU 13 1HB LEU 13 -38.733 -36.538 -25.881 82 HG LEU 13 HG LEU 13 -38.602 -38.886 -26.299 83 HD11 LEU 13 1HD1 LEU 13 -39.842 -38.913 -23.600 84 HD12 LEU 13 2HD1 LEU 13 -38.448 -37.868 -23.871 85 HD13 LEU 13 3HD1 LEU 13 -38.316 -39.605 -24.152 86 HD21 LEU 13 3HD2 LEU 13 -40.716 -40.189 -25.259 87 HD22 LEU 13 1HD2 LEU 13 -40.559 -39.783 -26.969 88 HD23 LEU 13 2HD2 LEU 13 -41.518 -38.757 -25.905 89 H VAL 14 H VAL 14 -39.628 -35.347 -22.924 90 HA VAL 14 HA VAL 14 -40.198 -32.645 -23.300 91 HB VAL 14 HB VAL 14 -38.235 -32.256 -21.726 92 HG11 VAL 14 1HG1 VAL 14 -39.600 -32.637 -19.961 93 HG12 VAL 14 2HG1 VAL 14 -39.956 -34.292 -20.454 94 HG13 VAL 14 3HG1 VAL 14 -40.777 -32.942 -21.239 95 HG21 VAL 14 3HG2 VAL 14 -37.383 -34.686 -22.571 96 HG22 VAL 14 1HG2 VAL 14 -38.181 -35.117 -21.058 97 HG23 VAL 14 2HG2 VAL 14 -36.881 -33.926 -21.062 98 HA PRO 15 HA PRO 15 -37.290 -32.006 -26.712 99 HB2 PRO 15 2HB PRO 15 -38.117 -29.489 -27.306 100 HB3 PRO 15 1HB PRO 15 -38.983 -30.935 -27.838 101 HG2 PRO 15 2HG PRO 15 -39.558 -29.131 -25.519 102 HG3 PRO 15 1HG PRO 15 -40.685 -29.841 -26.691 103 HD2 PRO 15 2HD PRO 15 -40.330 -30.865 -24.211 104 HD3 PRO 15 1HD PRO 15 -40.715 -31.880 -25.615 105 H ARG 16 H ARG 16 -38.000 -29.463 -24.315 106 HA ARG 16 HA ARG 16 -35.168 -29.178 -23.764 107 HB2 ARG 16 2HB ARG 16 -36.770 -27.138 -25.219 108 HB3 ARG 16 1HB ARG 16 -35.654 -26.559 -23.990 109 HG2 ARG 16 2HG ARG 16 -34.165 -26.554 -25.655 110 HG3 ARG 16 1HG ARG 16 -34.074 -28.292 -25.356 111 HD2 ARG 16 2HD ARG 16 -34.374 -27.928 -27.711 112 HD3 ARG 16 1HD ARG 16 -35.852 -28.625 -27.052 113 HE ARG 16 HE ARG 16 -36.968 -26.696 -27.587 114 HH11 ARG 16 1HH1 ARG 16 -33.532 -26.115 -27.781 115 HH12 ARG 16 2HH1 ARG 16 -33.710 -24.551 -28.502 116 HH21 ARG 16 1HH2 ARG 16 -37.203 -24.638 -28.534 117 HH22 ARG 16 2HH2 ARG 16 -35.795 -23.712 -28.928 118 H GLY 17 H GLY 17 -34.845 -28.799 -21.660 119 HA2 GLY 17 2HA GLY 17 -37.180 -28.305 -19.984 120 HA3 GLY 17 1HA GLY 17 -35.594 -28.822 -19.432 121 H SER 18 H SER 18 -37.341 -26.039 -20.767 122 HA SER 18 HA SER 18 -35.389 -24.266 -19.469 123 HB2 SER 18 2HB SER 18 -37.459 -23.229 -21.359 124 HB3 SER 18 1HB SER 18 -35.809 -22.668 -21.084 125 HG SER 18 HG SER 18 -35.346 -23.788 -22.792 126 H HIS 19 H HIS 19 -35.991 -23.651 -17.502 127 HA HIS 19 HA HIS 19 -38.316 -22.157 -17.019 128 HB2 HIS 19 2HB HIS 19 -39.391 -23.805 -15.393 129 HB3 HIS 19 1HB HIS 19 -39.619 -24.129 -17.109 130 HD1 HIS 19 1HD HIS 19 -36.284 -25.052 -15.932 131 HD2 HIS 19 2HD HIS 19 -40.020 -26.854 -16.174 132 HE1 HIS 19 1HE HIS 19 -35.861 -27.515 -15.656 133 HE2 HIS 19 2HE HIS 19 -38.125 -28.593 -15.892 134 H MET 20 H MET 20 -36.870 -20.791 -16.009 135 HA MET 20 HA MET 20 -34.973 -21.530 -14.087 136 HB2 MET 20 2HB MET 20 -36.393 -18.929 -14.628 137 HB3 MET 20 1HB MET 20 -35.169 -19.082 -13.375 138 HG2 MET 20 2HG MET 20 -33.859 -20.150 -15.479 139 HG3 MET 20 1HG MET 20 -34.889 -18.976 -16.295 140 HE1 MET 20 3HE MET 20 -32.092 -18.968 -13.118 141 HE2 MET 20 1HE MET 20 -31.009 -18.351 -14.366 142 HE3 MET 20 2HE MET 20 -31.911 -19.842 -14.638 143 H SER 21 H SER 21 -35.182 -20.318 -11.793 144 HA SER 21 HA SER 21 -37.639 -21.393 -10.572 145 HB2 SER 21 2HB SER 21 -34.787 -21.432 -9.729 146 HB3 SER 21 1HB SER 21 -35.996 -21.245 -8.460 147 HG SER 21 HG SER 21 -35.289 -23.458 -9.788 148 H LEU 22 H LEU 22 -35.168 -18.866 -10.112 149 HA LEU 22 HA LEU 22 -37.147 -16.846 -9.713 150 HB2 LEU 22 2HB LEU 22 -36.700 -18.295 -7.472 151 HB3 LEU 22 1HB LEU 22 -35.458 -17.069 -7.301 152 HG LEU 22 HG LEU 22 -37.570 -16.508 -6.131 153 HD11 LEU 22 1HD1 LEU 22 -37.234 -14.315 -6.470 154 HD12 LEU 22 2HD1 LEU 22 -37.460 -14.442 -8.215 155 HD13 LEU 22 3HD1 LEU 22 -35.907 -14.866 -7.493 156 HD21 LEU 22 3HD2 LEU 22 -38.794 -16.033 -8.826 157 HD22 LEU 22 1HD2 LEU 22 -39.575 -16.101 -7.246 158 HD23 LEU 22 2HD2 LEU 22 -38.974 -17.579 -7.998 159 H ASP 23 H ASP 23 -36.290 -14.771 -9.799 160 HA ASP 23 HA ASP 23 -34.803 -13.147 -10.366 161 HB2 ASP 23 2HB ASP 23 -33.712 -14.371 -8.203 162 HB3 ASP 23 1HB ASP 23 -32.428 -14.606 -9.383 163 H GLU 24 H GLU 24 -32.231 -13.126 -11.265 164 HA GLU 24 HA GLU 24 -30.967 -13.439 -13.129 165 HB2 GLU 24 2HB GLU 24 -32.153 -16.214 -12.965 166 HB3 GLU 24 1HB GLU 24 -30.845 -15.758 -14.046 167 HG2 GLU 24 2HG GLU 24 -30.396 -15.090 -11.227 168 HG3 GLU 24 1HG GLU 24 -30.517 -16.815 -11.575 169 H ASN 25 H ASN 25 -33.574 -12.314 -13.418 170 HA ASN 25 HA ASN 25 -34.627 -13.408 -15.901 171 HB2 ASN 25 2HB ASN 25 -35.583 -10.960 -14.411 172 HB3 ASN 25 1HB ASN 25 -36.462 -11.889 -15.622 173 HD21 ASN 25 1HD2 ASN 25 -36.379 -14.381 -14.940 174 HD22 ASN 25 2HD2 ASN 25 -36.970 -14.664 -13.342 175 H GLU 26 H GLU 26 -33.392 -10.276 -14.732 176 HA GLU 26 HA GLU 26 -33.114 -9.317 -17.457 177 HB2 GLU 26 2HB GLU 26 -32.913 -8.121 -14.739 178 HB3 GLU 26 1HB GLU 26 -32.012 -7.346 -16.035 179 HG2 GLU 26 2HG GLU 26 -34.141 -7.234 -17.336 180 HG3 GLU 26 1HG GLU 26 -34.979 -7.807 -15.895 181 H VAL 27 H VAL 27 -30.912 -7.890 -17.612 182 HA VAL 27 HA VAL 27 -28.828 -9.883 -17.714 183 HB VAL 27 HB VAL 27 -29.122 -8.302 -19.571 184 HG11 VAL 27 1HG1 VAL 27 -29.120 -6.054 -19.378 185 HG12 VAL 27 2HG1 VAL 27 -27.892 -6.055 -18.113 186 HG13 VAL 27 3HG1 VAL 27 -29.572 -6.406 -17.710 187 HG21 VAL 27 3HG2 VAL 27 -26.742 -7.593 -19.770 188 HG22 VAL 27 1HG2 VAL 27 -26.950 -9.284 -19.313 189 HG23 VAL 27 2HG2 VAL 27 -26.501 -8.089 -18.095 190 H ALA 28 H ALA 28 -27.167 -10.124 -16.349 191 HA ALA 28 HA ALA 28 -25.990 -8.068 -14.829 192 HB1 ALA 28 1HB ALA 28 -28.236 -9.516 -13.568 193 HB2 ALA 28 2HB ALA 28 -27.627 -7.886 -13.277 194 HB3 ALA 28 3HB ALA 28 -26.795 -9.277 -12.581 195 H ALA 29 H ALA 29 -24.097 -9.016 -15.543 196 HA ALA 29 HA ALA 29 -22.957 -11.001 -13.903 197 HB1 ALA 29 1HB ALA 29 -24.548 -12.325 -15.455 198 HB2 ALA 29 2HB ALA 29 -22.904 -12.914 -15.211 199 HB3 ALA 29 3HB ALA 29 -23.317 -12.040 -16.686 200 H ASN 30 H ASN 30 -21.300 -9.490 -13.794 201 HA ASN 30 HA ASN 30 -19.739 -9.127 -16.266 202 HB2 ASN 30 2HB ASN 30 -18.773 -7.111 -15.026 203 HB3 ASN 30 1HB ASN 30 -20.438 -6.976 -15.579 204 HD21 ASN 30 1HD2 ASN 30 -20.027 -5.224 -13.819 205 HD22 ASN 30 2HD2 ASN 30 -20.558 -5.659 -12.234 206 H VAL 31 H VAL 31 -19.423 -9.446 -12.734 207 HA VAL 31 HA VAL 31 -17.209 -11.264 -13.051 208 HB VAL 31 HB VAL 31 -15.724 -9.876 -11.522 209 HG11 VAL 31 1HG1 VAL 31 -16.026 -8.473 -14.132 210 HG12 VAL 31 2HG1 VAL 31 -15.635 -10.194 -14.127 211 HG13 VAL 31 3HG1 VAL 31 -14.569 -9.043 -13.320 212 HG21 VAL 31 3HG2 VAL 31 -16.106 -7.366 -11.873 213 HG22 VAL 31 1HG2 VAL 31 -17.130 -8.196 -10.702 214 HG23 VAL 31 2HG2 VAL 31 -17.756 -7.812 -12.305 215 H GLU 32 H GLU 32 -18.914 -9.152 -10.748 216 HA GLU 32 HA GLU 32 -19.760 -9.527 -8.671 217 HB2 GLU 32 2HB GLU 32 -19.953 -12.222 -9.959 218 HB3 GLU 32 1HB GLU 32 -20.329 -12.061 -8.249 219 HG2 GLU 32 2HG GLU 32 -21.900 -10.167 -8.989 220 HG3 GLU 32 1HG GLU 32 -21.722 -10.850 -10.604 221 H THR 33 H THR 33 -17.706 -8.887 -7.772 222 HA THR 33 HA THR 33 -16.741 -10.661 -5.827 223 HB THR 33 HB THR 33 -15.599 -11.850 -7.552 224 HG1 THR 33 1HG THR 33 -13.522 -11.631 -6.854 225 HG21 THR 33 3HG2 THR 33 -15.645 -9.670 -9.079 226 HG22 THR 33 1HG2 THR 33 -14.534 -11.012 -9.350 227 HG23 THR 33 2HG2 THR 33 -13.983 -9.571 -8.494 228 H ARG 34 H ARG 34 -17.169 -8.768 -4.625 229 HA ARG 34 HA ARG 34 -14.937 -7.155 -4.096 230 HB2 ARG 34 2HB ARG 34 -16.082 -6.262 -6.366 231 HB3 ARG 34 1HB ARG 34 -17.036 -5.369 -5.189 232 HG2 ARG 34 2HG ARG 34 -14.115 -5.327 -4.791 233 HG3 ARG 34 1HG ARG 34 -14.726 -4.480 -6.213 234 HD2 ARG 34 2HD ARG 34 -16.463 -3.559 -4.418 235 HD3 ARG 34 1HD ARG 34 -15.116 -3.896 -3.331 236 HE ARG 34 HE ARG 34 -14.126 -2.473 -5.520 237 HH11 ARG 34 1HH1 ARG 34 -16.282 -1.978 -2.821 238 HH12 ARG 34 2HH1 ARG 34 -15.966 -0.279 -2.718 239 HH21 ARG 34 1HH2 ARG 34 -13.710 -0.238 -5.387 240 HH22 ARG 34 2HH2 ARG 34 -14.506 0.710 -4.175 241 HA PRO 35 HA PRO 35 -18.561 -7.308 -1.071 242 HB2 PRO 35 2HB PRO 35 -17.308 -8.753 0.858 243 HB3 PRO 35 1HB PRO 35 -18.228 -9.498 -0.456 244 HG2 PRO 35 2HG PRO 35 -15.270 -9.111 -0.198 245 HG3 PRO 35 1HG PRO 35 -16.166 -10.531 -0.765 246 HD2 PRO 35 2HD PRO 35 -14.995 -8.778 -2.460 247 HD3 PRO 35 1HD PRO 35 -16.490 -9.642 -2.868 248 H GLU 36 H GLU 36 -15.083 -7.124 -0.298 249 HA GLU 36 HA GLU 36 -15.367 -4.476 0.761 250 HB2 GLU 36 2HB GLU 36 -16.014 -6.353 2.574 251 HB3 GLU 36 1HB GLU 36 -14.271 -6.324 2.807 252 HG2 GLU 36 2HG GLU 36 -15.594 -3.697 2.718 253 HG3 GLU 36 1HG GLU 36 -15.992 -4.716 4.100 254 H LEU 37 H LEU 37 -13.327 -3.504 1.306 255 HA LEU 37 HA LEU 37 -11.056 -4.932 0.094 256 HB2 LEU 37 2HB LEU 37 -11.608 -1.973 0.302 257 HB3 LEU 37 1HB LEU 37 -10.102 -2.650 -0.287 258 HG LEU 37 HG LEU 37 -11.772 -3.909 -1.948 259 HD11 LEU 37 1HD1 LEU 37 -13.147 -1.267 -1.732 260 HD12 LEU 37 2HD1 LEU 37 -13.668 -2.619 -0.724 261 HD13 LEU 37 3HD1 LEU 37 -13.700 -2.765 -2.482 262 HD21 LEU 37 3HD2 LEU 37 -10.169 -2.774 -3.066 263 HD22 LEU 37 1HD2 LEU 37 -10.324 -1.340 -2.054 264 HD23 LEU 37 2HD2 LEU 37 -11.487 -1.636 -3.345 265 H ILE 38 H ILE 38 -9.558 -5.600 1.455 266 HA ILE 38 HA ILE 38 -9.308 -4.279 4.064 267 HB ILE 38 HB ILE 38 -7.821 -6.350 4.550 268 HG12 ILE 38 2HG1 ILE 38 -9.462 -7.390 2.230 269 HG13 ILE 38 1HG1 ILE 38 -7.719 -7.143 2.211 270 HG21 ILE 38 1HG2 ILE 38 -9.659 -7.463 5.477 271 HG22 ILE 38 2HG2 ILE 38 -10.746 -6.913 4.202 272 HG23 ILE 38 3HG2 ILE 38 -10.150 -5.771 5.406 273 HD11 ILE 38 3HD1 ILE 38 -9.057 -8.966 4.179 274 HD12 ILE 38 1HD1 ILE 38 -7.353 -8.892 3.730 275 HD13 ILE 38 2HD1 ILE 38 -8.542 -9.504 2.580 276 H THR 39 H THR 39 -6.838 -4.722 4.874 277 HA THR 39 HA THR 39 -4.852 -4.161 2.853 278 HB THR 39 HB THR 39 -4.335 -1.978 4.376 279 HG1 THR 39 1HG THR 39 -6.416 -2.351 5.441 280 HG21 THR 39 3HG2 THR 39 -5.596 -2.394 1.780 281 HG22 THR 39 1HG2 THR 39 -4.310 -1.283 2.250 282 HG23 THR 39 2HG2 THR 39 -5.997 -0.852 2.533 283 H ARG 40 H ARG 40 -2.752 -4.264 3.625 284 HA ARG 40 HA ARG 40 -2.135 -4.584 6.406 285 HB2 ARG 40 2HB ARG 40 -3.122 -6.816 5.812 286 HB3 ARG 40 1HB ARG 40 -1.840 -7.014 4.625 287 HG2 ARG 40 2HG ARG 40 -0.789 -8.080 6.287 288 HG3 ARG 40 1HG ARG 40 -0.392 -6.451 6.839 289 HD2 ARG 40 2HD ARG 40 -1.783 -6.574 8.609 290 HD3 ARG 40 1HD ARG 40 -3.009 -7.466 7.712 291 HE ARG 40 HE ARG 40 -1.020 -8.558 9.420 292 HH11 ARG 40 1HH1 ARG 40 -2.807 -9.194 6.491 293 HH12 ARG 40 2HH1 ARG 40 -2.679 -10.915 6.638 294 HH21 ARG 40 1HH2 ARG 40 -0.850 -10.821 9.614 295 HH22 ARG 40 2HH2 ARG 40 -1.568 -11.839 8.411 296 H THR 41 H THR 41 -0.020 -4.028 6.705 297 HA THR 41 HA THR 41 1.457 -3.307 4.335 298 HB THR 41 HB THR 41 2.831 -2.037 5.703 299 HG1 THR 41 1HG THR 41 2.124 -3.632 7.934 300 HG21 THR 41 3HG2 THR 41 1.475 -0.703 6.921 301 HG22 THR 41 1HG2 THR 41 0.674 -2.057 7.720 302 HG23 THR 41 2HG2 THR 41 0.239 -1.625 6.067 303 H GLU 42 H GLU 42 2.994 -4.284 3.389 304 HA GLU 42 HA GLU 42 3.991 -6.797 4.503 305 HB2 GLU 42 2HB GLU 42 3.376 -7.383 2.394 306 HB3 GLU 42 1HB GLU 42 3.491 -5.735 1.794 307 HG2 GLU 42 2HG GLU 42 5.068 -7.155 0.655 308 HG3 GLU 42 1HG GLU 42 5.921 -5.968 1.641 309 H GLU 43 H GLU 43 6.135 -7.164 4.829 310 HA GLU 43 HA GLU 43 7.766 -4.943 5.449 311 HB2 GLU 43 2HB GLU 43 9.564 -6.720 5.736 312 HB3 GLU 43 1HB GLU 43 8.122 -6.893 6.727 313 HG2 GLU 43 2HG GLU 43 7.990 -8.286 4.159 314 HG3 GLU 43 1HG GLU 43 9.252 -8.868 5.243 315 H ILE 44 H ILE 44 8.237 -3.649 3.747 316 HA ILE 44 HA ILE 44 9.600 -4.844 1.431 317 HB ILE 44 HB ILE 44 8.309 -2.124 1.718 318 HG12 ILE 44 2HG1 ILE 44 7.364 -4.046 -0.314 319 HG13 ILE 44 1HG1 ILE 44 7.061 -4.517 1.354 320 HG21 ILE 44 1HG2 ILE 44 10.245 -2.039 0.240 321 HG22 ILE 44 2HG2 ILE 44 8.746 -1.858 -0.674 322 HG23 ILE 44 3HG2 ILE 44 9.608 -3.397 -0.689 323 HD11 ILE 44 3HD1 ILE 44 6.334 -1.801 1.115 324 HD12 ILE 44 1HD1 ILE 44 5.281 -3.202 1.374 325 HD13 ILE 44 2HD1 ILE 44 5.645 -2.662 -0.265 326 HA PRO 45 HA PRO 45 13.087 -2.882 3.643 327 HB2 PRO 45 2HB PRO 45 14.969 -4.632 2.871 328 HB3 PRO 45 1HB PRO 45 13.817 -5.012 4.159 329 HG2 PRO 45 2HG PRO 45 13.767 -5.825 1.277 330 HG3 PRO 45 1HG PRO 45 13.444 -6.805 2.718 331 HD2 PRO 45 2HD PRO 45 11.477 -5.720 1.169 332 HD3 PRO 45 1HD PRO 45 11.288 -6.039 2.905 333 H PHE 46 H PHE 46 14.963 -1.799 2.934 334 HA PHE 46 HA PHE 46 14.827 -0.891 0.185 335 HB2 PHE 46 2HB PHE 46 16.340 0.853 0.870 336 HB3 PHE 46 1HB PHE 46 15.116 0.682 2.124 337 HD1 PHE 46 2HD PHE 46 15.683 -0.387 4.269 338 HD2 PHE 46 1HD PHE 46 18.635 0.391 1.304 339 HE1 PHE 46 2HE PHE 46 17.450 -0.693 5.954 340 HE2 PHE 46 1HE PHE 46 20.407 0.082 2.983 341 HZ PHE 46 HZ PHE 46 19.815 -0.461 5.310 342 H GLU 47 H GLU 47 17.307 -0.270 -0.538 343 HA GLU 47 HA GLU 47 19.035 -2.591 -0.212 344 HB2 GLU 47 2HB GLU 47 17.682 -1.822 -2.771 345 HB3 GLU 47 1HB GLU 47 19.285 -2.543 -2.819 346 HG2 GLU 47 2HG GLU 47 18.350 -4.434 -1.449 347 HG3 GLU 47 1HG GLU 47 16.755 -3.743 -1.736 348 H VAL 48 H VAL 48 20.757 -1.506 0.558 349 HA VAL 48 HA VAL 48 21.538 1.085 -0.268 350 HB VAL 48 HB VAL 48 22.218 0.307 1.901 351 HG11 VAL 48 1HG1 VAL 48 23.179 -2.029 0.377 352 HG12 VAL 48 2HG1 VAL 48 22.481 -1.933 1.993 353 HG13 VAL 48 3HG1 VAL 48 24.178 -1.522 1.740 354 HG21 VAL 48 3HG2 VAL 48 24.517 0.917 1.912 355 HG22 VAL 48 1HG2 VAL 48 23.755 1.828 0.608 356 HG23 VAL 48 2HG2 VAL 48 24.728 0.405 0.237 357 H ILE 49 H ILE 49 22.830 1.761 -1.873 358 HA ILE 49 HA ILE 49 24.048 -0.293 -3.595 359 HB ILE 49 HB ILE 49 23.350 2.537 -4.376 360 HG12 ILE 49 2HG1 ILE 49 21.300 1.353 -3.814 361 HG13 ILE 49 1HG1 ILE 49 21.416 1.535 -5.561 362 HG21 ILE 49 1HG2 ILE 49 23.439 1.353 -6.686 363 HG22 ILE 49 2HG2 ILE 49 24.393 0.142 -5.829 364 HG23 ILE 49 3HG2 ILE 49 24.942 1.818 -5.889 365 HD11 ILE 49 3HD1 ILE 49 21.165 -0.644 -5.801 366 HD12 ILE 49 1HD1 ILE 49 21.054 -0.824 -4.050 367 HD13 ILE 49 2HD1 ILE 49 22.622 -0.929 -4.849 368 H LYS 50 H LYS 50 26.094 0.193 -4.589 369 HA LYS 50 HA LYS 50 27.700 2.161 -3.097 370 HB2 LYS 50 2HB LYS 50 28.779 -0.475 -4.083 371 HB3 LYS 50 1HB LYS 50 29.531 0.654 -2.963 372 HG2 LYS 50 2HG LYS 50 27.465 0.146 -1.474 373 HG3 LYS 50 1HG LYS 50 27.315 -1.290 -2.489 374 HD2 LYS 50 2HD LYS 50 28.714 -2.201 -0.976 375 HD3 LYS 50 1HD LYS 50 29.957 -1.359 -1.906 376 HE2 LYS 50 2HE LYS 50 30.312 -0.871 0.406 377 HE3 LYS 50 1HE LYS 50 29.688 0.586 -0.368 378 HZ1 LYS 50 3HZ LYS 50 28.329 0.546 1.416 379 HZ2 LYS 50 1HZ LYS 50 28.450 -1.127 1.634 380 HZ3 LYS 50 2HZ LYS 50 27.422 -0.503 0.447 381 H LYS 51 H LYS 51 27.884 3.738 -4.595 382 HA LYS 51 HA LYS 51 28.716 2.993 -7.311 383 HB2 LYS 51 2HB LYS 51 27.809 5.721 -6.402 384 HB3 LYS 51 1HB LYS 51 27.912 5.109 -8.046 385 HG2 LYS 51 2HG LYS 51 26.143 3.413 -7.346 386 HG3 LYS 51 1HG LYS 51 25.909 4.429 -5.922 387 HD2 LYS 51 2HD LYS 51 25.746 6.337 -7.735 388 HD3 LYS 51 1HD LYS 51 25.301 4.989 -8.784 389 HE2 LYS 51 2HE LYS 51 23.278 5.869 -7.918 390 HE3 LYS 51 1HE LYS 51 23.581 4.361 -7.055 391 HZ1 LYS 51 3HZ LYS 51 22.963 6.637 -5.843 392 HZ2 LYS 51 1HZ LYS 51 24.651 6.768 -5.828 393 HZ3 LYS 51 2HZ LYS 51 23.900 5.431 -5.117 394 H GLU 52 H GLU 52 30.187 4.716 -8.351 395 HA GLU 52 HA GLU 52 32.507 4.992 -6.608 396 HB2 GLU 52 2HB GLU 52 32.061 5.001 -9.561 397 HB3 GLU 52 1HB GLU 52 33.485 5.813 -8.925 398 HG2 GLU 52 2HG GLU 52 34.006 3.543 -9.578 399 HG3 GLU 52 1HG GLU 52 34.185 3.745 -7.836 400 H ASN 53 H ASN 53 33.091 6.852 -5.709 401 HA ASN 53 HA ASN 53 31.731 9.304 -6.558 402 HB2 ASN 53 2HB ASN 53 31.745 8.439 -4.121 403 HB3 ASN 53 1HB ASN 53 33.402 9.031 -4.074 404 HD21 ASN 53 1HD2 ASN 53 33.654 11.328 -4.866 405 HD22 ASN 53 2HD2 ASN 53 32.463 12.461 -4.335 406 HA PRO 54 HA PRO 54 35.823 10.075 -8.442 407 HB2 PRO 54 2HB PRO 54 34.934 11.997 -10.147 408 HB3 PRO 54 1HB PRO 54 34.812 10.268 -10.492 409 HG2 PRO 54 2HG PRO 54 32.727 12.141 -9.436 410 HG3 PRO 54 1HG PRO 54 32.575 10.877 -10.671 411 HD2 PRO 54 2HD PRO 54 31.762 10.509 -8.122 412 HD3 PRO 54 1HD PRO 54 32.421 9.188 -9.105 413 H ASN 55 H ASN 55 33.581 12.146 -6.807 414 HA ASN 55 HA ASN 55 35.538 14.312 -6.632 415 HB2 ASN 55 2HB ASN 55 32.867 14.443 -6.997 416 HB3 ASN 55 1HB ASN 55 32.932 14.549 -5.240 417 HD21 ASN 55 1HD2 ASN 55 35.076 16.005 -4.701 418 HD22 ASN 55 2HD2 ASN 55 34.970 17.577 -5.408 419 H LEU 56 H LEU 56 35.914 11.737 -5.269 420 HA LEU 56 HA LEU 56 36.008 12.733 -2.499 421 HB2 LEU 56 2HB LEU 56 34.793 10.346 -3.541 422 HB3 LEU 56 1HB LEU 56 36.091 9.912 -2.445 423 HG LEU 56 HG LEU 56 35.066 11.221 -0.664 424 HD11 LEU 56 1HD1 LEU 56 33.880 12.665 -2.633 425 HD12 LEU 56 2HD1 LEU 56 33.400 12.695 -0.937 426 HD13 LEU 56 3HD1 LEU 56 32.537 11.664 -2.079 427 HD21 LEU 56 3HD2 LEU 56 34.373 8.816 -1.250 428 HD22 LEU 56 1HD2 LEU 56 32.879 9.544 -1.841 429 HD23 LEU 56 2HD2 LEU 56 33.344 9.736 -0.151 430 HA PRO 57 HA PRO 57 40.289 11.627 -2.580 431 HB2 PRO 57 2HB PRO 57 40.558 10.899 0.121 432 HB3 PRO 57 1HB PRO 57 40.668 12.528 -0.543 433 HG2 PRO 57 2HG PRO 57 38.667 11.539 1.179 434 HG3 PRO 57 1HG PRO 57 38.653 13.084 0.313 435 HD2 PRO 57 2HD PRO 57 37.295 10.523 -0.351 436 HD3 PRO 57 1HD PRO 57 36.802 12.193 -0.704 437 H ALA 58 H ALA 58 38.417 9.323 -3.106 438 HA ALA 58 HA ALA 58 38.564 7.084 -3.465 439 HB1 ALA 58 1HB ALA 58 40.582 7.157 -4.518 440 HB2 ALA 58 2HB ALA 58 41.024 6.167 -3.126 441 HB3 ALA 58 3HB ALA 58 41.403 7.891 -3.140 442 H GLY 59 H GLY 59 38.337 5.162 -2.351 443 HA2 GLY 59 2HA GLY 59 37.957 3.832 -0.522 444 HA3 GLY 59 1HA GLY 59 39.455 4.497 0.109 445 H GLN 60 H GLN 60 36.831 6.651 -0.584 446 HA GLN 60 HA GLN 60 36.415 6.989 2.310 447 HB2 GLN 60 2HB GLN 60 37.331 8.897 0.794 448 HB3 GLN 60 1HB GLN 60 35.662 9.050 0.263 449 HG2 GLN 60 2HG GLN 60 35.945 8.954 3.160 450 HG3 GLN 60 1HG GLN 60 36.785 10.313 2.415 451 HE21 GLN 60 1HE2 GLN 60 35.628 12.077 2.195 452 HE22 GLN 60 2HE2 GLN 60 33.908 12.162 2.050 453 H GLU 61 H GLU 61 34.261 7.525 3.042 454 HA GLU 61 HA GLU 61 32.090 6.813 1.215 455 HB2 GLU 61 2HB GLU 61 32.895 5.338 3.670 456 HB3 GLU 61 1HB GLU 61 31.174 5.545 3.379 457 HG2 GLU 61 2HG GLU 61 31.203 4.262 1.466 458 HG3 GLU 61 1HG GLU 61 32.927 4.515 1.199 459 H ASN 62 H ASN 62 30.085 7.702 1.738 460 HA ASN 62 HA ASN 62 29.884 9.363 4.126 461 HB2 ASN 62 2HB ASN 62 28.994 11.261 2.660 462 HB3 ASN 62 1HB ASN 62 30.735 11.000 2.649 463 HD21 ASN 62 1HD2 ASN 62 27.787 10.095 0.913 464 HD22 ASN 62 2HD2 ASN 62 28.511 10.069 -0.655 465 H ILE 63 H ILE 63 27.913 9.257 4.998 466 HA ILE 63 HA ILE 63 25.847 7.781 3.591 467 HB ILE 63 HB ILE 63 25.787 8.910 6.392 468 HG12 ILE 63 2HG1 ILE 63 27.639 7.292 6.026 469 HG13 ILE 63 1HG1 ILE 63 26.427 6.702 7.160 470 HG21 ILE 63 1HG2 ILE 63 24.145 6.642 5.304 471 HG22 ILE 63 2HG2 ILE 63 23.603 8.317 5.221 472 HG23 ILE 63 3HG2 ILE 63 23.903 7.564 6.788 473 HD11 ILE 63 3HD1 ILE 63 26.823 5.876 4.299 474 HD12 ILE 63 1HD1 ILE 63 25.419 5.417 5.264 475 HD13 ILE 63 2HD1 ILE 63 27.032 4.897 5.752 476 H ILE 64 H ILE 64 25.063 9.176 2.029 477 HA ILE 64 HA ILE 64 24.295 11.868 2.596 478 HB ILE 64 HB ILE 64 23.338 10.196 0.277 479 HG12 ILE 64 2HG1 ILE 64 25.758 10.011 0.361 480 HG13 ILE 64 1HG1 ILE 64 25.302 11.085 -0.958 481 HG21 ILE 64 1HG2 ILE 64 23.954 13.069 0.012 482 HG22 ILE 64 2HG2 ILE 64 22.545 12.655 0.989 483 HG23 ILE 64 3HG2 ILE 64 22.645 12.118 -0.688 484 HD11 ILE 64 3HD1 ILE 64 27.167 12.051 0.124 485 HD12 ILE 64 1HD1 ILE 64 26.441 11.834 1.717 486 HD13 ILE 64 2HD1 ILE 64 25.757 13.005 0.588 487 H THR 65 H THR 65 22.554 8.809 2.232 488 HA THR 65 HA THR 65 20.410 9.799 3.902 489 HB THR 65 HB THR 65 19.465 8.612 1.344 490 HG1 THR 65 1HG THR 65 19.678 10.465 0.224 491 HG21 THR 65 3HG2 THR 65 18.430 10.804 3.123 492 HG22 THR 65 1HG2 THR 65 17.809 9.158 2.989 493 HG23 THR 65 2HG2 THR 65 17.662 10.270 1.628 494 H ALA 66 H ALA 66 20.904 8.178 5.341 495 HA ALA 66 HA ALA 66 21.563 5.567 4.909 496 HB1 ALA 66 1HB ALA 66 20.279 5.143 7.115 497 HB2 ALA 66 2HB ALA 66 20.017 6.887 7.101 498 HB3 ALA 66 3HB ALA 66 21.660 6.241 7.118 499 H GLY 67 H GLY 67 20.426 3.581 4.885 500 HA2 GLY 67 2HA GLY 67 17.824 3.785 3.541 501 HA3 GLY 67 1HA GLY 67 18.907 2.400 3.477 502 H VAL 68 H VAL 68 15.983 3.054 4.415 503 HA VAL 68 HA VAL 68 16.131 1.279 6.745 504 HB VAL 68 HB VAL 68 14.308 3.684 6.649 505 HG11 VAL 68 1HG1 VAL 68 13.985 3.149 9.046 506 HG12 VAL 68 2HG1 VAL 68 14.950 1.691 8.820 507 HG13 VAL 68 3HG1 VAL 68 13.417 1.875 7.968 508 HG21 VAL 68 3HG2 VAL 68 16.848 3.330 8.238 509 HG22 VAL 68 1HG2 VAL 68 15.754 4.711 8.306 510 HG23 VAL 68 2HG2 VAL 68 16.660 4.375 6.831 511 H LYS 69 H LYS 69 14.724 -0.353 6.661 512 HA LYS 69 HA LYS 69 13.166 -0.829 4.376 513 HB2 LYS 69 2HB LYS 69 12.193 -2.711 5.750 514 HB3 LYS 69 1HB LYS 69 13.945 -2.705 5.610 515 HG2 LYS 69 2HG LYS 69 12.895 -1.268 7.940 516 HG3 LYS 69 1HG LYS 69 12.585 -3.005 7.928 517 HD2 LYS 69 2HD LYS 69 14.766 -3.526 8.202 518 HD3 LYS 69 1HD LYS 69 15.317 -2.197 7.181 519 HE2 LYS 69 2HE LYS 69 15.520 -0.773 8.917 520 HE3 LYS 69 1HE LYS 69 14.092 -1.404 9.736 521 HZ1 LYS 69 3HZ LYS 69 15.742 -3.460 10.007 522 HZ2 LYS 69 1HZ LYS 69 15.643 -2.204 11.138 523 HZ3 LYS 69 2HZ LYS 69 16.876 -2.206 9.979 524 H GLY 70 H GLY 70 11.391 0.229 3.809 525 HA2 GLY 70 2HA GLY 70 9.746 1.619 5.707 526 HA3 GLY 70 1HA GLY 70 9.452 1.471 3.977 527 H GLU 71 H GLU 71 7.268 0.947 4.104 528 HA GLU 71 HA GLU 71 6.634 -1.759 4.400 529 HB2 GLU 71 2HB GLU 71 6.882 -0.685 6.877 530 HB3 GLU 71 1HB GLU 71 5.198 -0.306 6.548 531 HG2 GLU 71 2HG GLU 71 4.663 -2.610 6.241 532 HG3 GLU 71 1HG GLU 71 6.364 -3.066 6.305 533 H ARG 72 H ARG 72 5.297 -1.715 2.712 534 HA ARG 72 HA ARG 72 3.448 0.520 2.498 535 HB2 ARG 72 2HB ARG 72 3.571 0.361 0.269 536 HB3 ARG 72 1HB ARG 72 4.996 -0.603 0.561 537 HG2 ARG 72 2HG ARG 72 3.728 -2.631 0.297 538 HG3 ARG 72 1HG ARG 72 2.227 -1.719 0.188 539 HD2 ARG 72 2HD ARG 72 3.166 -2.510 -2.008 540 HD3 ARG 72 1HD ARG 72 2.830 -0.785 -1.902 541 HE ARG 72 HE ARG 72 5.441 -0.939 -1.228 542 HH11 ARG 72 1HH1 ARG 72 3.604 -2.177 -3.923 543 HH12 ARG 72 2HH1 ARG 72 4.935 -2.096 -5.027 544 HH21 ARG 72 1HH2 ARG 72 7.192 -0.832 -2.677 545 HH22 ARG 72 2HH2 ARG 72 6.972 -1.333 -4.322 546 H THR 73 H THR 73 1.318 0.310 2.378 547 HA THR 73 HA THR 73 0.227 -1.971 3.727 548 HB THR 73 HB THR 73 -1.152 0.394 2.454 549 HG1 THR 73 1HG THR 73 0.278 0.717 4.344 550 HG21 THR 73 3HG2 THR 73 -2.362 -1.307 4.567 551 HG22 THR 73 1HG2 THR 73 -2.471 -1.772 2.865 552 HG23 THR 73 2HG2 THR 73 -3.134 -0.224 3.405 553 H HIS 74 H HIS 74 -1.118 -3.527 2.893 554 HA HIS 74 HA HIS 74 -1.334 -3.592 -0.021 555 HB2 HIS 74 2HB HIS 74 -0.243 -5.633 1.838 556 HB3 HIS 74 1HB HIS 74 -1.093 -6.180 0.386 557 HD1 HIS 74 1HD HIS 74 -0.040 -5.663 -1.845 558 HD2 HIS 74 2HD HIS 74 2.050 -4.151 1.397 559 HE1 HIS 74 1HE HIS 74 2.098 -4.770 -2.813 560 HE2 HIS 74 2HE HIS 74 3.457 -4.063 -0.804 561 H TYR 75 H TYR 75 -3.256 -3.559 -0.680 562 HA TYR 75 HA TYR 75 -5.418 -4.236 1.093 563 HB2 TYR 75 2HB TYR 75 -6.071 -3.400 -1.655 564 HB3 TYR 75 1HB TYR 75 -6.721 -2.839 -0.126 565 HD1 TYR 75 1HD TYR 75 -3.472 -2.213 0.602 566 HD2 TYR 75 2HD TYR 75 -6.367 -0.977 -2.265 567 HE1 TYR 75 1HE TYR 75 -2.226 -0.115 0.290 568 HE2 TYR 75 2HE TYR 75 -5.157 1.132 -2.565 569 HH TYR 75 HH TYR 75 -3.600 2.545 -1.350 570 H ILE 76 H ILE 76 -6.088 -6.220 1.225 571 HA ILE 76 HA ILE 76 -5.873 -8.004 -1.085 572 HB ILE 76 HB ILE 76 -6.505 -8.677 1.790 573 HG12 ILE 76 2HG1 ILE 76 -4.030 -9.689 1.349 574 HG13 ILE 76 1HG1 ILE 76 -3.960 -8.243 0.347 575 HG21 ILE 76 1HG2 ILE 76 -7.307 -10.465 0.560 576 HG22 ILE 76 2HG2 ILE 76 -5.656 -10.968 0.922 577 HG23 ILE 76 3HG2 ILE 76 -6.050 -10.317 -0.668 578 HD11 ILE 76 3HD1 ILE 76 -4.596 -8.350 3.286 579 HD12 ILE 76 1HD1 ILE 76 -4.586 -6.891 2.294 580 HD13 ILE 76 2HD1 ILE 76 -3.092 -7.792 2.551 581 H SER 77 H SER 77 -7.662 -9.509 -1.504 582 HA SER 77 HA SER 77 -10.258 -8.192 -1.081 583 HB2 SER 77 2HB SER 77 -9.879 -8.322 -3.404 584 HB3 SER 77 1HB SER 77 -9.207 -9.949 -3.292 585 HG SER 77 HG SER 77 -11.233 -10.760 -2.962 586 H VAL 78 H VAL 78 -11.579 -9.114 0.334 587 HA VAL 78 HA VAL 78 -11.066 -11.777 1.318 588 HB VAL 78 HB VAL 78 -13.103 -11.326 2.750 589 HG11 VAL 78 1HG1 VAL 78 -11.783 -9.247 3.848 590 HG12 VAL 78 2HG1 VAL 78 -10.527 -9.898 2.795 591 HG13 VAL 78 3HG1 VAL 78 -11.278 -10.930 4.012 592 HG21 VAL 78 3HG2 VAL 78 -12.946 -8.447 2.245 593 HG22 VAL 78 1HG2 VAL 78 -14.351 -9.476 2.528 594 HG23 VAL 78 2HG2 VAL 78 -13.641 -9.374 0.916 595 H LEU 79 H LEU 79 -11.573 -13.301 -0.182 596 HA LEU 79 HA LEU 79 -14.255 -13.232 -1.379 597 HB2 LEU 79 2HB LEU 79 -11.972 -13.570 -2.667 598 HB3 LEU 79 1HB LEU 79 -12.190 -15.235 -2.164 599 HG LEU 79 HG LEU 79 -13.061 -14.990 -4.383 600 HD11 LEU 79 1HD1 LEU 79 -14.359 -16.256 -2.509 601 HD12 LEU 79 2HD1 LEU 79 -15.098 -16.020 -4.094 602 HD13 LEU 79 3HD1 LEU 79 -15.554 -14.980 -2.743 603 HD21 LEU 79 3HD2 LEU 79 -15.211 -13.405 -4.451 604 HD22 LEU 79 1HD2 LEU 79 -13.591 -12.839 -4.857 605 HD23 LEU 79 2HD2 LEU 79 -14.256 -12.532 -3.253 606 H THR 80 H THR 80 -15.783 -14.636 -0.783 607 HA THR 80 HA THR 80 -15.087 -16.655 1.217 608 HB THR 80 HB THR 80 -17.793 -16.752 1.080 609 HG1 THR 80 1HG THR 80 -17.141 -14.048 0.550 610 HG21 THR 80 3HG2 THR 80 -16.074 -14.858 2.643 611 HG22 THR 80 1HG2 THR 80 -16.779 -16.388 3.165 612 HG23 THR 80 2HG2 THR 80 -17.817 -14.989 2.883 613 H GLU 81 H GLU 81 -14.830 -18.697 0.632 614 HA GLU 81 HA GLU 81 -16.437 -19.765 -1.579 615 HB2 GLU 81 2HB GLU 81 -13.461 -19.739 -1.335 616 HB3 GLU 81 1HB GLU 81 -14.230 -21.140 -2.067 617 HG2 GLU 81 2HG GLU 81 -14.875 -19.998 -3.917 618 HG3 GLU 81 1HG GLU 81 -15.057 -18.474 -3.050 619 H ASN 82 H ASN 82 -17.731 -21.058 -0.379 620 HA ASN 82 HA ASN 82 -18.400 -22.829 0.878 621 HB2 ASN 82 2HB ASN 82 -15.715 -23.669 -0.111 622 HB3 ASN 82 1HB ASN 82 -16.463 -24.635 1.156 623 HD21 ASN 82 1HD2 ASN 82 -17.666 -22.962 -1.735 624 HD22 ASN 82 2HD2 ASN 82 -18.477 -24.335 -2.399 625 H GLY 83 H GLY 83 -17.375 -20.528 2.226 626 HA2 GLY 83 2HA GLY 83 -17.041 -19.933 4.429 627 HA3 GLY 83 1HA GLY 83 -17.062 -21.641 4.840 628 H LYS 84 H LYS 84 -14.913 -19.763 2.720 629 HA LYS 84 HA LYS 84 -12.691 -20.279 4.550 630 HB2 LYS 84 2HB LYS 84 -13.038 -21.961 2.472 631 HB3 LYS 84 1HB LYS 84 -12.097 -20.706 1.677 632 HG2 LYS 84 2HG LYS 84 -10.391 -22.001 2.403 633 HG3 LYS 84 1HG LYS 84 -10.592 -21.008 3.848 634 HD2 LYS 84 2HD LYS 84 -11.566 -22.706 5.044 635 HD3 LYS 84 1HD LYS 84 -12.195 -23.505 3.602 636 HE2 LYS 84 2HE LYS 84 -10.516 -24.956 3.987 637 HE3 LYS 84 1HE LYS 84 -9.543 -23.736 3.166 638 HZ1 LYS 84 3HZ LYS 84 -9.932 -23.705 6.098 639 HZ2 LYS 84 1HZ LYS 84 -8.742 -22.919 5.187 640 HZ3 LYS 84 2HZ LYS 84 -8.692 -24.598 5.374 641 H THR 85 H THR 85 -11.584 -18.474 4.870 642 HA THR 85 HA THR 85 -11.966 -16.223 3.069 643 HB THR 85 HB THR 85 -10.381 -15.192 4.954 644 HG1 THR 85 1HG THR 85 -9.977 -16.751 6.322 645 HG21 THR 85 3HG2 THR 85 -13.287 -15.824 5.411 646 HG22 THR 85 1HG2 THR 85 -12.641 -14.415 4.569 647 HG23 THR 85 2HG2 THR 85 -12.341 -14.625 6.294 648 H THR 86 H THR 86 -10.660 -16.038 1.377 649 HA THR 86 HA THR 86 -7.876 -16.948 1.623 650 HB THR 86 HB THR 86 -8.089 -16.591 -1.002 651 HG1 THR 86 1HG THR 86 -10.137 -15.878 -1.176 652 HG21 THR 86 3HG2 THR 86 -7.902 -18.790 -1.070 653 HG22 THR 86 1HG2 THR 86 -9.547 -19.003 -0.471 654 HG23 THR 86 2HG2 THR 86 -8.211 -18.818 0.666 655 H GLU 87 H GLU 87 -6.403 -15.426 1.924 656 HA GLU 87 HA GLU 87 -7.018 -12.662 1.204 657 HB2 GLU 87 2HB GLU 87 -4.771 -13.844 2.845 658 HB3 GLU 87 1HB GLU 87 -4.983 -12.127 2.536 659 HG2 GLU 87 2HG GLU 87 -6.767 -11.947 3.945 660 HG3 GLU 87 1HG GLU 87 -7.252 -13.627 3.723 661 H THR 88 H THR 88 -6.695 -12.548 -0.989 662 HA THR 88 HA THR 88 -3.997 -13.221 -1.964 663 HB THR 88 HB THR 88 -6.574 -12.932 -3.524 664 HG1 THR 88 1HG THR 88 -6.827 -14.936 -3.027 665 HG21 THR 88 3HG2 THR 88 -3.772 -13.271 -4.378 666 HG22 THR 88 1HG2 THR 88 -5.137 -12.520 -5.208 667 HG23 THR 88 2HG2 THR 88 -4.980 -14.277 -5.179 668 H VAL 89 H VAL 89 -2.719 -11.507 -2.121 669 HA VAL 89 HA VAL 89 -3.457 -8.847 -1.953 670 HB VAL 89 HB VAL 89 -1.236 -8.334 -3.004 671 HG11 VAL 89 1HG1 VAL 89 -1.428 -10.286 -0.725 672 HG12 VAL 89 2HG1 VAL 89 -1.287 -8.528 -0.653 673 HG13 VAL 89 3HG1 VAL 89 0.083 -9.504 -1.185 674 HG21 VAL 89 3HG2 VAL 89 -0.972 -11.337 -3.115 675 HG22 VAL 89 1HG2 VAL 89 0.273 -10.155 -3.524 676 HG23 VAL 89 2HG2 VAL 89 -1.180 -10.284 -4.515 677 H LEU 90 H LEU 90 -4.284 -7.387 -3.317 678 HA LEU 90 HA LEU 90 -4.407 -8.090 -6.177 679 HB2 LEU 90 2HB LEU 90 -6.469 -6.943 -4.344 680 HB3 LEU 90 1HB LEU 90 -6.508 -6.523 -6.045 681 HG LEU 90 HG LEU 90 -6.745 -9.292 -4.867 682 HD11 LEU 90 1HD1 LEU 90 -8.690 -7.522 -4.939 683 HD12 LEU 90 2HD1 LEU 90 -8.977 -9.211 -5.351 684 HD13 LEU 90 3HD1 LEU 90 -8.773 -8.015 -6.629 685 HD21 LEU 90 3HD2 LEU 90 -5.743 -9.883 -6.805 686 HD22 LEU 90 1HD2 LEU 90 -6.129 -8.356 -7.599 687 HD23 LEU 90 2HD2 LEU 90 -7.358 -9.613 -7.460 688 H ASP 91 H ASP 91 -5.167 -5.149 -4.320 689 HA ASP 91 HA ASP 91 -3.210 -3.708 -5.989 690 HB2 ASP 91 2HB ASP 91 -5.876 -3.370 -6.227 691 HB3 ASP 91 1HB ASP 91 -5.542 -2.199 -4.952 692 H SER 92 H SER 92 -1.767 -2.486 -4.954 693 HA SER 92 HA SER 92 -2.292 -1.566 -2.230 694 HB2 SER 92 2HB SER 92 0.355 -2.812 -2.732 695 HB3 SER 92 1HB SER 92 -0.519 -2.534 -1.219 696 HG SER 92 HG SER 92 -2.075 -4.136 -2.146 697 H GLN 93 H GLN 93 -0.633 -0.098 -1.462 698 HA GLN 93 HA GLN 93 0.649 1.425 -3.627 699 HB2 GLN 93 2HB GLN 93 -1.118 2.366 -1.383 700 HB3 GLN 93 1HB GLN 93 0.056 3.450 -2.124 701 HG2 GLN 93 2HG GLN 93 -2.265 2.092 -3.471 702 HG3 GLN 93 1HG GLN 93 -2.075 3.813 -3.143 703 HE21 GLN 93 1HE2 GLN 93 0.369 4.419 -3.969 704 HE22 GLN 93 2HE2 GLN 93 0.570 4.090 -5.653 705 H VAL 94 H VAL 94 2.354 2.945 -2.705 706 HA VAL 94 HA VAL 94 3.889 1.467 -0.736 707 HB VAL 94 HB VAL 94 4.608 4.044 -2.150 708 HG11 VAL 94 1HG1 VAL 94 6.431 2.047 -0.826 709 HG12 VAL 94 2HG1 VAL 94 5.812 3.488 -0.019 710 HG13 VAL 94 3HG1 VAL 94 6.844 3.648 -1.441 711 HG21 VAL 94 3HG2 VAL 94 6.029 2.582 -3.591 712 HG22 VAL 94 1HG2 VAL 94 4.295 2.364 -3.827 713 HG23 VAL 94 2HG2 VAL 94 5.213 1.184 -2.891 714 H THR 95 H THR 95 3.172 1.803 1.288 715 HA THR 95 HA THR 95 2.608 4.581 2.058 716 HB THR 95 HB THR 95 0.861 3.818 3.486 717 HG1 THR 95 1HG THR 95 1.818 1.984 4.346 718 HG21 THR 95 3HG2 THR 95 -0.512 3.609 1.761 719 HG22 THR 95 1HG2 THR 95 -0.137 1.878 1.695 720 HG23 THR 95 2HG2 THR 95 0.794 3.035 0.729 721 H LYS 96 H LYS 96 4.807 4.743 2.556 722 HA LYS 96 HA LYS 96 5.571 4.960 5.087 723 HB2 LYS 96 2HB LYS 96 5.747 2.113 4.314 724 HB3 LYS 96 1HB LYS 96 7.147 2.762 5.148 725 HG2 LYS 96 2HG LYS 96 4.498 3.337 6.330 726 HG3 LYS 96 1HG LYS 96 5.086 1.677 6.428 727 HD2 LYS 96 2HD LYS 96 6.732 4.054 7.265 728 HD3 LYS 96 1HD LYS 96 5.677 3.177 8.376 729 HE2 LYS 96 2HE LYS 96 6.919 1.093 7.780 730 HE3 LYS 96 1HE LYS 96 8.046 2.090 6.862 731 HZ1 LYS 96 3HZ LYS 96 8.070 3.348 9.201 732 HZ2 LYS 96 1HZ LYS 96 9.145 2.103 8.807 733 HZ3 LYS 96 2HZ LYS 96 7.770 1.771 9.734 734 H GLU 97 H GLU 97 6.527 3.855 1.928 735 HA GLU 97 HA GLU 97 8.262 4.393 0.567 736 HB2 GLU 97 2HB GLU 97 7.599 6.718 1.378 737 HB3 GLU 97 1HB GLU 97 8.941 6.598 2.508 738 HG2 GLU 97 2HG GLU 97 10.112 7.570 0.878 739 HG3 GLU 97 1HG GLU 97 10.165 5.951 0.180 740 H VAL 98 H VAL 98 9.635 2.694 0.722 741 HA VAL 98 HA VAL 98 11.237 2.193 3.028 742 HB VAL 98 HB VAL 98 10.610 0.342 1.581 743 HG11 VAL 98 1HG1 VAL 98 12.393 0.668 -0.607 744 HG12 VAL 98 2HG1 VAL 98 11.377 2.106 -0.500 745 HG13 VAL 98 3HG1 VAL 98 10.635 0.512 -0.631 746 HG21 VAL 98 3HG2 VAL 98 12.477 -0.765 2.075 747 HG22 VAL 98 1HG2 VAL 98 13.118 0.779 2.638 748 HG23 VAL 98 2HG2 VAL 98 13.450 0.232 0.995 749 H ILE 99 H ILE 99 12.656 3.707 3.577 750 HA ILE 99 HA ILE 99 14.059 5.368 1.776 751 HB ILE 99 HB ILE 99 14.881 4.669 4.597 752 HG12 ILE 99 2HG1 ILE 99 13.684 7.081 4.804 753 HG13 ILE 99 1HG1 ILE 99 12.723 6.380 3.506 754 HG21 ILE 99 1HG2 ILE 99 16.492 5.879 2.993 755 HG22 ILE 99 2HG2 ILE 99 16.216 6.575 4.589 756 HG23 ILE 99 3HG2 ILE 99 15.405 7.254 3.178 757 HD11 ILE 99 3HD1 ILE 99 11.513 5.390 5.068 758 HD12 ILE 99 1HD1 ILE 99 12.647 5.865 6.332 759 HD13 ILE 99 2HD1 ILE 99 12.911 4.377 5.422 760 H ASN 100 H ASN 100 15.927 5.143 0.721 761 HA ASN 100 HA ASN 100 17.330 2.579 0.986 762 HB2 ASN 100 2HB ASN 100 17.144 4.577 -1.263 763 HB3 ASN 100 1HB ASN 100 18.342 3.286 -1.257 764 HD21 ASN 100 1HD2 ASN 100 17.723 1.778 -2.618 765 HD22 ASN 100 2HD2 ASN 100 16.129 1.124 -2.756 766 H GLN 101 H GLN 101 19.520 2.454 1.322 767 HA GLN 101 HA GLN 101 20.725 4.687 2.659 768 HB2 GLN 101 2HB GLN 101 20.987 2.080 3.042 769 HB3 GLN 101 1HB GLN 101 22.297 2.273 1.887 770 HG2 GLN 101 2HG GLN 101 22.610 4.336 3.754 771 HG3 GLN 101 1HG GLN 101 22.230 2.887 4.682 772 HE21 GLN 101 1HE2 GLN 101 24.517 4.452 2.617 773 HE22 GLN 101 2HE2 GLN 101 25.798 3.310 2.816 774 H VAL 102 H VAL 102 21.461 6.347 1.496 775 HA VAL 102 HA VAL 102 22.701 5.863 -1.107 776 HB VAL 102 HB VAL 102 22.123 8.525 0.194 777 HG11 VAL 102 1HG1 VAL 102 22.402 9.458 -1.977 778 HG12 VAL 102 2HG1 VAL 102 22.496 7.860 -2.719 779 HG13 VAL 102 3HG1 VAL 102 23.798 8.424 -1.671 780 HG21 VAL 102 3HG2 VAL 102 20.103 7.023 -0.154 781 HG22 VAL 102 1HG2 VAL 102 20.416 7.178 -1.883 782 HG23 VAL 102 2HG2 VAL 102 20.048 8.610 -0.921 783 H VAL 103 H VAL 103 24.803 5.404 -1.051 784 HA VAL 103 HA VAL 103 26.567 7.155 0.503 785 HB VAL 103 HB VAL 103 26.270 5.121 1.844 786 HG11 VAL 103 1HG1 VAL 103 27.615 3.543 -0.320 787 HG12 VAL 103 2HG1 VAL 103 25.858 3.692 -0.254 788 HG13 VAL 103 3HG1 VAL 103 26.732 2.965 1.093 789 HG21 VAL 103 3HG2 VAL 103 28.562 6.388 1.384 790 HG22 VAL 103 1HG2 VAL 103 29.020 4.797 0.780 791 HG23 VAL 103 2HG2 VAL 103 28.461 4.981 2.443 792 H GLU 104 H GLU 104 28.158 7.935 -0.709 793 HA GLU 104 HA GLU 104 28.726 6.635 -3.279 794 HB2 GLU 104 2HB GLU 104 29.613 9.393 -2.454 795 HB3 GLU 104 1HB GLU 104 29.484 8.734 -4.078 796 HG2 GLU 104 2HG GLU 104 26.921 8.514 -3.183 797 HG3 GLU 104 1HG GLU 104 27.460 9.992 -2.389 798 H VAL 105 H VAL 105 30.370 5.247 -3.148 799 HA VAL 105 HA VAL 105 32.593 5.773 -1.333 800 HB VAL 105 HB VAL 105 32.159 3.361 -3.096 801 HG11 VAL 105 1HG1 VAL 105 33.755 2.268 -1.649 802 HG12 VAL 105 2HG1 VAL 105 33.884 3.714 -0.649 803 HG13 VAL 105 3HG1 VAL 105 34.470 3.738 -2.311 804 HG21 VAL 105 3HG2 VAL 105 30.500 4.090 -1.070 805 HG22 VAL 105 1HG2 VAL 105 31.688 3.111 -0.209 806 HG23 VAL 105 2HG2 VAL 105 30.799 2.425 -1.569 807 H GLY 106 H GLY 106 34.232 6.957 -2.058 808 HA2 GLY 106 2HA GLY 106 34.707 7.602 -4.742 809 HA3 GLY 106 1HA GLY 106 35.861 7.807 -3.432 810 H ALA 107 H ALA 107 36.084 6.854 -6.291 811 HA ALA 107 HA ALA 107 36.642 4.131 -6.419 812 HB1 ALA 107 1HB ALA 107 37.596 4.542 -8.478 813 HB2 ALA 107 2HB ALA 107 38.281 6.087 -7.969 814 HB3 ALA 107 3HB ALA 107 36.550 5.947 -8.278 815 HA PRO 108 HA PRO 108 40.214 4.216 -3.637 816 HB2 PRO 108 2HB PRO 108 40.498 1.521 -3.482 817 HB3 PRO 108 1HB PRO 108 39.296 2.415 -2.544 818 HG2 PRO 108 2HG PRO 108 38.951 0.885 -5.094 819 HG3 PRO 108 1HG PRO 108 37.912 0.913 -3.657 820 HD2 PRO 108 2HD PRO 108 37.346 2.338 -5.884 821 HD3 PRO 108 1HD PRO 108 36.923 2.908 -4.258 822 H VAL 109 H VAL 109 42.237 2.471 -3.759 823 HA VAL 109 HA VAL 109 43.193 2.621 -6.544 824 HB VAL 109 HB VAL 109 44.331 4.270 -5.121 825 HG11 VAL 109 1HG1 VAL 109 44.132 2.455 -3.123 826 HG12 VAL 109 2HG1 VAL 109 45.224 3.839 -3.101 827 HG13 VAL 109 3HG1 VAL 109 45.821 2.252 -3.587 828 HG21 VAL 109 3HG2 VAL 109 46.396 3.912 -6.025 829 HG22 VAL 109 1HG2 VAL 109 45.463 2.744 -6.962 830 HG23 VAL 109 2HG2 VAL 109 46.419 2.205 -5.581 831 H THR 110 H THR 110 44.594 0.967 -7.259 832 HA THR 110 HA THR 110 44.241 -1.549 -5.802 833 HB THR 110 HB THR 110 45.352 -1.342 -8.582 834 HG1 THR 110 1HG THR 110 43.197 -1.427 -9.337 835 HG21 THR 110 3HG2 THR 110 45.330 -3.551 -8.257 836 HG22 THR 110 1HG2 THR 110 43.600 -3.404 -8.565 837 HG23 THR 110 2HG2 THR 110 44.199 -3.446 -6.907 838 H HIS 111 H HIS 111 46.177 0.348 -4.887 839 HA HIS 111 HA HIS 111 48.327 0.438 -4.152 840 HB2 HIS 111 2HB HIS 111 47.951 -2.468 -4.740 841 HB3 HIS 111 1HB HIS 111 49.568 -1.886 -4.356 842 HD1 HIS 111 1HD HIS 111 46.998 -3.496 -2.712 843 HD2 HIS 111 2HD HIS 111 49.156 -0.056 -1.826 844 HE1 HIS 111 1HE HIS 111 46.747 -3.165 -0.233 845 HE2 HIS 111 2HE HIS 111 48.132 -1.128 0.295 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -27.594 -1.514 17.069 2 H2 MET 1 2HT MET 1 -28.642 -2.872 17.123 3 H3 MET 1 3HT MET 1 -27.581 -2.656 15.790 4 HA MET 1 HA MET 1 -26.928 -3.348 18.567 5 HB2 MET 1 2HB MET 1 -26.369 -4.652 15.894 6 HB3 MET 1 1HB MET 1 -25.896 -5.289 17.463 7 HG2 MET 1 2HG MET 1 -28.705 -4.904 16.460 8 HG3 MET 1 1HG MET 1 -27.851 -6.436 16.645 9 HE1 MET 1 2HE MET 1 -29.673 -3.533 19.298 10 HE2 MET 1 3HE MET 1 -30.807 -4.873 19.125 11 HE3 MET 1 1HE MET 1 -30.121 -4.105 17.692 12 H GLY 2 H GLY 2 -24.626 -3.621 18.986 13 HA2 GLY 2 2HA GLY 2 -23.089 -1.475 17.712 14 HA3 GLY 2 1HA GLY 2 -22.718 -2.237 19.252 15 H SER 3 H SER 3 -23.413 -3.804 16.155 16 HA SER 3 HA SER 3 -20.609 -4.563 15.876 17 HB2 SER 3 2HB SER 3 -21.657 -6.976 15.365 18 HB3 SER 3 1HB SER 3 -21.110 -6.506 16.975 19 HG SER 3 HG SER 3 -23.726 -6.695 15.962 20 H SER 4 H SER 4 -20.832 -3.103 14.065 21 HA SER 4 HA SER 4 -22.492 -4.062 11.855 22 HB2 SER 4 2HB SER 4 -20.884 -1.518 12.182 23 HB3 SER 4 1HB SER 4 -21.842 -1.919 10.758 24 HG SER 4 HG SER 4 -23.466 -1.110 11.795 25 H HIS 5 H HIS 5 -21.674 -4.742 9.906 26 HA HIS 5 HA HIS 5 -18.754 -4.916 9.645 27 HB2 HIS 5 2HB HIS 5 -19.775 -7.077 10.507 28 HB3 HIS 5 1HB HIS 5 -20.585 -7.212 8.951 29 HD1 HIS 5 1HD HIS 5 -19.051 -7.625 6.858 30 HD2 HIS 5 2HD HIS 5 -17.099 -7.779 10.524 31 HE1 HIS 5 1HE HIS 5 -16.830 -8.708 6.393 32 HE2 HIS 5 2HE HIS 5 -15.632 -8.713 8.610 33 H HIS 6 H HIS 6 -21.879 -5.355 8.011 34 HA HIS 6 HA HIS 6 -20.886 -5.259 5.381 35 HB2 HIS 6 2HB HIS 6 -23.611 -4.579 6.498 36 HB3 HIS 6 1HB HIS 6 -23.255 -4.659 4.776 37 HD1 HIS 6 1HD HIS 6 -23.667 -6.822 7.805 38 HD2 HIS 6 2HD HIS 6 -23.026 -7.230 3.721 39 HE1 HIS 6 1HE HIS 6 -24.024 -9.261 7.311 40 HE2 HIS 6 2HE HIS 6 -23.715 -9.469 4.818 41 H HIS 7 H HIS 7 -22.933 -2.720 6.796 42 HA HIS 7 HA HIS 7 -21.088 -0.617 6.432 43 HB2 HIS 7 2HB HIS 7 -22.806 -1.323 4.128 44 HB3 HIS 7 1HB HIS 7 -22.738 0.389 4.537 45 HD1 HIS 7 1HD HIS 7 -20.059 1.210 4.886 46 HD2 HIS 7 2HD HIS 7 -20.867 -2.010 2.389 47 HE1 HIS 7 1HE HIS 7 -18.048 0.996 3.396 48 HE2 HIS 7 2HE HIS 7 -18.521 -1.012 1.951 49 H HIS 8 H HIS 8 -22.554 1.567 6.140 50 HA HIS 8 HA HIS 8 -24.856 1.295 7.949 51 HB2 HIS 8 2HB HIS 8 -22.836 2.065 9.200 52 HB3 HIS 8 1HB HIS 8 -22.765 3.474 8.145 53 HD1 HIS 8 1HD HIS 8 -24.059 5.463 8.886 54 HD2 HIS 8 2HD HIS 8 -25.317 1.983 10.778 55 HE1 HIS 8 1HE HIS 8 -25.739 6.202 10.607 56 HE2 HIS 8 2HE HIS 8 -26.422 4.089 11.796 57 H HIS 9 H HIS 9 -23.116 3.532 5.794 58 HA HIS 9 HA HIS 9 -25.649 4.247 4.544 59 HB2 HIS 9 2HB HIS 9 -24.797 5.866 6.521 60 HB3 HIS 9 1HB HIS 9 -23.906 6.563 5.172 61 HD1 HIS 9 1HD HIS 9 -26.121 6.198 2.998 62 HD2 HIS 9 2HD HIS 9 -26.723 7.798 6.785 63 HE1 HIS 9 1HE HIS 9 -28.181 7.627 2.803 64 HE2 HIS 9 2HE HIS 9 -28.476 8.653 5.086 65 H SER 10 H SER 10 -22.317 5.519 4.555 66 HA SER 10 HA SER 10 -20.795 5.811 2.891 67 HB2 SER 10 2HB SER 10 -21.509 3.213 2.727 68 HB3 SER 10 1HB SER 10 -21.999 3.757 1.123 69 HG SER 10 HG SER 10 -19.427 3.971 2.298 70 H SER 11 H SER 11 -23.289 7.293 2.825 71 HA SER 11 HA SER 11 -23.653 7.685 -0.067 72 HB2 SER 11 2HB SER 11 -25.728 7.220 1.127 73 HB3 SER 11 1HB SER 11 -25.404 8.538 2.253 74 HG SER 11 HG SER 11 -26.569 9.606 0.846 75 H GLY 12 H GLY 12 -23.113 9.569 -1.024 76 HA2 GLY 12 2HA GLY 12 -23.048 12.086 -0.507 77 HA3 GLY 12 1HA GLY 12 -21.865 11.606 0.699 78 H LEU 13 H LEU 13 -19.921 10.471 -0.107 79 HA LEU 13 HA LEU 13 -19.276 10.903 -2.909 80 HB2 LEU 13 2HB LEU 13 -18.084 12.436 -0.650 81 HB3 LEU 13 1HB LEU 13 -17.032 11.955 -1.967 82 HG LEU 13 HG LEU 13 -19.580 13.500 -2.404 83 HD11 LEU 13 1HD1 LEU 13 -18.144 14.815 -0.958 84 HD12 LEU 13 2HD1 LEU 13 -18.171 15.498 -2.584 85 HD13 LEU 13 3HD1 LEU 13 -16.780 14.557 -2.047 86 HD21 LEU 13 3HD2 LEU 13 -18.686 12.296 -4.340 87 HD22 LEU 13 1HD2 LEU 13 -17.130 13.094 -4.115 88 HD23 LEU 13 2HD2 LEU 13 -18.554 14.043 -4.545 89 H VAL 14 H VAL 14 -16.727 10.324 -3.090 90 HA VAL 14 HA VAL 14 -15.188 8.649 -3.051 91 HB VAL 14 HB VAL 14 -16.212 8.016 -0.283 92 HG11 VAL 14 1HG1 VAL 14 -13.905 7.227 0.077 93 HG12 VAL 14 2HG1 VAL 14 -13.549 7.554 -1.618 94 HG13 VAL 14 3HG1 VAL 14 -14.737 6.324 -1.190 95 HG21 VAL 14 3HG2 VAL 14 -14.358 10.167 -1.246 96 HG22 VAL 14 1HG2 VAL 14 -14.241 9.518 0.390 97 HG23 VAL 14 2HG2 VAL 14 -15.730 10.296 -0.146 98 HA PRO 15 HA PRO 15 -18.358 5.526 -4.224 99 HB2 PRO 15 2HB PRO 15 -17.093 4.765 -6.506 100 HB3 PRO 15 1HB PRO 15 -18.176 6.159 -6.425 101 HG2 PRO 15 2HG PRO 15 -15.184 6.076 -6.340 102 HG3 PRO 15 1HG PRO 15 -16.249 7.188 -7.222 103 HD2 PRO 15 2HD PRO 15 -15.058 7.864 -4.889 104 HD3 PRO 15 1HD PRO 15 -16.655 8.481 -5.355 105 H ARG 16 H ARG 16 -14.832 5.154 -4.604 106 HA ARG 16 HA ARG 16 -13.406 3.467 -4.059 107 HB2 ARG 16 2HB ARG 16 -14.934 3.867 -1.853 108 HB3 ARG 16 1HB ARG 16 -15.267 2.170 -2.166 109 HG2 ARG 16 2HG ARG 16 -12.431 2.975 -2.251 110 HG3 ARG 16 1HG ARG 16 -13.219 3.028 -0.672 111 HD2 ARG 16 2HD ARG 16 -14.083 0.633 -1.596 112 HD3 ARG 16 1HD ARG 16 -12.495 0.726 -2.357 113 HE ARG 16 HE ARG 16 -11.574 0.312 -0.319 114 HH11 ARG 16 1HH1 ARG 16 -14.768 1.626 0.184 115 HH12 ARG 16 2HH1 ARG 16 -14.712 1.435 1.904 116 HH21 ARG 16 1HH2 ARG 16 -11.499 0.060 1.944 117 HH22 ARG 16 2HH2 ARG 16 -12.856 0.546 2.903 118 H GLY 17 H GLY 17 -15.358 3.071 -6.187 119 HA2 GLY 17 2HA GLY 17 -14.829 0.402 -6.831 120 HA3 GLY 17 1HA GLY 17 -16.440 0.465 -6.131 121 H SER 18 H SER 18 -14.411 1.650 -8.748 122 HA SER 18 HA SER 18 -14.875 2.473 -10.814 123 HB2 SER 18 2HB SER 18 -17.072 1.405 -11.815 124 HB3 SER 18 1HB SER 18 -15.645 0.414 -11.521 125 HG SER 18 HG SER 18 -18.084 0.151 -10.491 126 H HIS 19 H HIS 19 -18.304 2.153 -10.035 127 HA HIS 19 HA HIS 19 -19.971 3.677 -9.776 128 HB2 HIS 19 2HB HIS 19 -18.391 4.613 -8.027 129 HB3 HIS 19 1HB HIS 19 -17.837 5.752 -9.250 130 HD1 HIS 19 1HD HIS 19 -18.900 7.946 -8.916 131 HD2 HIS 19 2HD HIS 19 -21.487 4.835 -7.976 132 HE1 HIS 19 1HE HIS 19 -21.054 9.047 -8.228 133 HE2 HIS 19 2HE HIS 19 -22.575 7.147 -7.581 134 H MET 20 H MET 20 -17.333 5.641 -11.167 135 HA MET 20 HA MET 20 -19.152 6.380 -13.349 136 HB2 MET 20 2HB MET 20 -17.705 8.006 -11.750 137 HB3 MET 20 1HB MET 20 -16.555 7.771 -13.060 138 HG2 MET 20 2HG MET 20 -19.372 8.521 -13.687 139 HG3 MET 20 1HG MET 20 -18.241 9.749 -13.123 140 HE1 MET 20 3HE MET 20 -18.925 9.997 -17.012 141 HE2 MET 20 1HE MET 20 -19.890 9.744 -15.558 142 HE3 MET 20 2HE MET 20 -19.548 8.391 -16.634 143 H SER 21 H SER 21 -17.889 3.829 -13.362 144 HA SER 21 HA SER 21 -16.389 4.084 -15.856 145 HB2 SER 21 2HB SER 21 -15.420 2.599 -13.409 146 HB3 SER 21 1HB SER 21 -14.773 2.321 -15.026 147 HG SER 21 HG SER 21 -14.027 4.158 -13.323 148 H LEU 22 H LEU 22 -16.526 2.285 -17.223 149 HA LEU 22 HA LEU 22 -18.672 0.408 -16.507 150 HB2 LEU 22 2HB LEU 22 -18.685 0.024 -19.049 151 HB3 LEU 22 1HB LEU 22 -19.360 1.518 -18.427 152 HG LEU 22 HG LEU 22 -16.501 1.521 -19.258 153 HD11 LEU 22 1HD1 LEU 22 -18.849 1.352 -21.118 154 HD12 LEU 22 2HD1 LEU 22 -17.341 0.439 -21.155 155 HD13 LEU 22 3HD1 LEU 22 -17.348 2.150 -21.582 156 HD21 LEU 22 3HD2 LEU 22 -17.962 3.436 -18.226 157 HD22 LEU 22 1HD2 LEU 22 -18.536 3.608 -19.884 158 HD23 LEU 22 2HD2 LEU 22 -16.819 3.780 -19.524 159 H ASP 23 H ASP 23 -15.417 0.627 -17.834 160 HA ASP 23 HA ASP 23 -14.717 -1.949 -16.863 161 HB2 ASP 23 2HB ASP 23 -14.270 -3.035 -19.032 162 HB3 ASP 23 1HB ASP 23 -15.986 -2.703 -18.810 163 H GLU 24 H GLU 24 -12.515 -2.606 -18.153 164 HA GLU 24 HA GLU 24 -10.924 -0.168 -18.515 165 HB2 GLU 24 2HB GLU 24 -10.419 -2.399 -16.569 166 HB3 GLU 24 1HB GLU 24 -9.081 -1.460 -17.217 167 HG2 GLU 24 2HG GLU 24 -9.490 -0.262 -15.339 168 HG3 GLU 24 1HG GLU 24 -10.596 0.559 -16.439 169 H ASN 25 H ASN 25 -8.938 -0.487 -19.678 170 HA ASN 25 HA ASN 25 -9.073 -2.817 -21.467 171 HB2 ASN 25 2HB ASN 25 -7.636 -1.384 -22.984 172 HB3 ASN 25 1HB ASN 25 -9.276 -0.802 -22.720 173 HD21 ASN 25 1HD2 ASN 25 -9.526 1.225 -22.095 174 HD22 ASN 25 2HD2 ASN 25 -8.281 2.252 -21.481 175 H GLU 26 H GLU 26 -7.858 -2.906 -18.842 176 HA GLU 26 HA GLU 26 -5.135 -3.636 -19.661 177 HB2 GLU 26 2HB GLU 26 -5.395 -1.407 -18.303 178 HB3 GLU 26 1HB GLU 26 -5.606 -2.490 -16.934 179 HG2 GLU 26 2HG GLU 26 -3.293 -1.713 -17.190 180 HG3 GLU 26 1HG GLU 26 -3.440 -3.467 -17.311 181 H VAL 27 H VAL 27 -4.169 -5.321 -18.425 182 HA VAL 27 HA VAL 27 -4.118 -7.267 -17.244 183 HB VAL 27 HB VAL 27 -6.672 -6.386 -15.898 184 HG11 VAL 27 1HG1 VAL 27 -5.311 -7.731 -14.031 185 HG12 VAL 27 2HG1 VAL 27 -4.692 -8.541 -15.470 186 HG13 VAL 27 3HG1 VAL 27 -6.426 -8.511 -15.152 187 HG21 VAL 27 3HG2 VAL 27 -3.864 -5.484 -15.537 188 HG22 VAL 27 1HG2 VAL 27 -4.849 -5.721 -14.093 189 HG23 VAL 27 2HG2 VAL 27 -5.374 -4.593 -15.342 190 H ALA 28 H ALA 28 -7.616 -6.667 -17.625 191 HA ALA 28 HA ALA 28 -9.267 -7.879 -18.617 192 HB1 ALA 28 1HB ALA 28 -8.869 -8.746 -20.755 193 HB2 ALA 28 2HB ALA 28 -7.186 -9.124 -20.386 194 HB3 ALA 28 3HB ALA 28 -7.691 -7.445 -20.583 195 H ALA 29 H ALA 29 -9.488 -10.392 -19.612 196 HA ALA 29 HA ALA 29 -9.761 -12.567 -19.001 197 HB1 ALA 29 1HB ALA 29 -7.119 -12.189 -18.974 198 HB2 ALA 29 2HB ALA 29 -7.868 -13.721 -18.521 199 HB3 ALA 29 3HB ALA 29 -7.359 -12.586 -17.272 200 H ASN 30 H ASN 30 -11.491 -12.770 -17.718 201 HA ASN 30 HA ASN 30 -12.775 -12.968 -15.852 202 HB2 ASN 30 2HB ASN 30 -10.493 -14.268 -15.257 203 HB3 ASN 30 1HB ASN 30 -10.451 -13.028 -14.007 204 HD21 ASN 30 1HD2 ASN 30 -12.786 -15.250 -15.495 205 HD22 ASN 30 2HD2 ASN 30 -13.525 -15.735 -14.011 206 H VAL 31 H VAL 31 -13.278 -11.938 -13.693 207 HA VAL 31 HA VAL 31 -12.103 -9.278 -13.375 208 HB VAL 31 HB VAL 31 -14.426 -8.316 -13.113 209 HG11 VAL 31 1HG1 VAL 31 -13.171 -9.157 -15.668 210 HG12 VAL 31 2HG1 VAL 31 -13.456 -7.541 -15.023 211 HG13 VAL 31 3HG1 VAL 31 -14.787 -8.455 -15.735 212 HG21 VAL 31 3HG2 VAL 31 -15.504 -10.427 -14.876 213 HG22 VAL 31 1HG2 VAL 31 -16.301 -9.477 -13.621 214 HG23 VAL 31 2HG2 VAL 31 -15.294 -10.856 -13.178 215 H GLU 32 H GLU 32 -13.372 -8.179 -11.416 216 HA GLU 32 HA GLU 32 -13.769 -10.203 -9.320 217 HB2 GLU 32 2HB GLU 32 -11.474 -8.819 -9.452 218 HB3 GLU 32 1HB GLU 32 -12.443 -7.663 -8.548 219 HG2 GLU 32 2HG GLU 32 -12.538 -8.972 -6.702 220 HG3 GLU 32 1HG GLU 32 -12.496 -10.473 -7.627 221 H THR 33 H THR 33 -15.091 -9.549 -7.558 222 HA THR 33 HA THR 33 -17.071 -7.557 -8.330 223 HB THR 33 HB THR 33 -17.354 -9.084 -5.799 224 HG1 THR 33 1HG THR 33 -17.028 -10.916 -6.736 225 HG21 THR 33 3HG2 THR 33 -19.065 -7.698 -7.554 226 HG22 THR 33 1HG2 THR 33 -19.476 -8.555 -6.069 227 HG23 THR 33 2HG2 THR 33 -19.515 -9.403 -7.615 228 H ARG 34 H ARG 34 -14.619 -8.114 -5.902 229 HA ARG 34 HA ARG 34 -13.716 -6.786 -4.293 230 HB2 ARG 34 2HB ARG 34 -15.046 -4.588 -5.887 231 HB3 ARG 34 1HB ARG 34 -13.841 -4.338 -4.631 232 HG2 ARG 34 2HG ARG 34 -12.153 -5.400 -5.928 233 HG3 ARG 34 1HG ARG 34 -13.335 -5.954 -7.116 234 HD2 ARG 34 2HD ARG 34 -13.764 -3.697 -7.822 235 HD3 ARG 34 1HD ARG 34 -12.749 -3.056 -6.530 236 HE ARG 34 HE ARG 34 -11.882 -4.099 -9.058 237 HH11 ARG 34 1HH1 ARG 34 -10.952 -3.538 -5.742 238 HH12 ARG 34 2HH1 ARG 34 -9.257 -3.497 -6.093 239 HH21 ARG 34 1HH2 ARG 34 -9.653 -4.045 -9.522 240 HH22 ARG 34 2HH2 ARG 34 -8.519 -3.784 -8.240 241 HA PRO 35 HA PRO 35 -17.874 -6.624 -2.147 242 HB2 PRO 35 2HB PRO 35 -17.292 -8.469 -0.249 243 HB3 PRO 35 1HB PRO 35 -17.948 -8.901 -1.832 244 HG2 PRO 35 2HG PRO 35 -15.115 -8.985 -0.867 245 HG3 PRO 35 1HG PRO 35 -16.004 -10.179 -1.832 246 HD2 PRO 35 2HD PRO 35 -14.270 -8.413 -2.934 247 HD3 PRO 35 1HD PRO 35 -15.708 -9.002 -3.791 248 H GLU 36 H GLU 36 -14.659 -7.036 -0.666 249 HA GLU 36 HA GLU 36 -15.045 -4.589 0.850 250 HB2 GLU 36 2HB GLU 36 -15.000 -7.303 2.065 251 HB3 GLU 36 1HB GLU 36 -14.107 -6.035 2.894 252 HG2 GLU 36 2HG GLU 36 -15.965 -5.028 3.618 253 HG3 GLU 36 1HG GLU 36 -16.808 -5.261 2.086 254 H LEU 37 H LEU 37 -13.256 -3.465 0.480 255 HA LEU 37 HA LEU 37 -10.786 -4.819 -0.207 256 HB2 LEU 37 2HB LEU 37 -11.476 -1.884 -0.054 257 HB3 LEU 37 1HB LEU 37 -9.932 -2.516 -0.594 258 HG LEU 37 HG LEU 37 -11.576 -3.850 -2.266 259 HD11 LEU 37 1HD1 LEU 37 -13.372 -2.213 -1.073 260 HD12 LEU 37 2HD1 LEU 37 -13.536 -2.851 -2.708 261 HD13 LEU 37 3HD1 LEU 37 -12.888 -1.231 -2.455 262 HD21 LEU 37 3HD2 LEU 37 -10.982 -1.104 -3.146 263 HD22 LEU 37 1HD2 LEU 37 -10.533 -2.653 -3.862 264 HD23 LEU 37 2HD2 LEU 37 -9.613 -2.011 -2.501 265 H ILE 38 H ILE 38 -9.446 -5.474 1.313 266 HA ILE 38 HA ILE 38 -9.355 -4.039 3.871 267 HB ILE 38 HB ILE 38 -7.902 -6.115 4.514 268 HG12 ILE 38 2HG1 ILE 38 -9.493 -7.199 2.177 269 HG13 ILE 38 1HG1 ILE 38 -7.739 -7.042 2.244 270 HG21 ILE 38 1HG2 ILE 38 -10.805 -6.708 4.123 271 HG22 ILE 38 2HG2 ILE 38 -10.294 -5.406 5.198 272 HG23 ILE 38 3HG2 ILE 38 -9.765 -7.061 5.503 273 HD11 ILE 38 3HD1 ILE 38 -9.284 -8.708 4.202 274 HD12 ILE 38 1HD1 ILE 38 -7.552 -8.734 3.865 275 HD13 ILE 38 2HD1 ILE 38 -8.694 -9.339 2.664 276 H THR 39 H THR 39 -6.948 -4.465 4.867 277 HA THR 39 HA THR 39 -4.819 -4.047 2.968 278 HB THR 39 HB THR 39 -4.391 -1.759 4.368 279 HG1 THR 39 1HG THR 39 -6.215 -0.756 4.829 280 HG21 THR 39 3HG2 THR 39 -5.386 -2.376 1.709 281 HG22 THR 39 1HG2 THR 39 -4.173 -1.201 2.225 282 HG23 THR 39 2HG2 THR 39 -5.889 -0.789 2.293 283 H ARG 40 H ARG 40 -2.829 -4.225 3.838 284 HA ARG 40 HA ARG 40 -2.497 -4.494 6.726 285 HB2 ARG 40 2HB ARG 40 -2.969 -6.765 5.411 286 HB3 ARG 40 1HB ARG 40 -1.268 -6.606 5.000 287 HG2 ARG 40 2HG ARG 40 -0.619 -7.272 7.016 288 HG3 ARG 40 1HG ARG 40 -1.752 -6.190 7.828 289 HD2 ARG 40 2HD ARG 40 -3.527 -7.942 7.046 290 HD3 ARG 40 1HD ARG 40 -2.131 -9.013 6.930 291 HE ARG 40 HE ARG 40 -2.029 -9.081 9.219 292 HH11 ARG 40 1HH1 ARG 40 -4.133 -6.470 8.250 293 HH12 ARG 40 2HH1 ARG 40 -4.696 -6.161 9.858 294 HH21 ARG 40 1HH2 ARG 40 -2.770 -8.676 11.334 295 HH22 ARG 40 2HH2 ARG 40 -3.922 -7.414 11.610 296 H THR 41 H THR 41 0.213 -5.509 6.461 297 HA THR 41 HA THR 41 1.489 -3.609 4.654 298 HB THR 41 HB THR 41 2.702 -2.423 6.265 299 HG1 THR 41 1HG THR 41 3.478 -3.906 7.635 300 HG21 THR 41 3HG2 THR 41 0.048 -2.913 7.593 301 HG22 THR 41 1HG2 THR 41 0.394 -1.695 6.364 302 HG23 THR 41 2HG2 THR 41 1.155 -1.586 7.952 303 H GLU 42 H GLU 42 3.153 -4.466 3.693 304 HA GLU 42 HA GLU 42 4.239 -6.974 4.762 305 HB2 GLU 42 2HB GLU 42 4.837 -5.827 2.046 306 HB3 GLU 42 1HB GLU 42 4.976 -7.496 2.581 307 HG2 GLU 42 2HG GLU 42 2.330 -6.113 2.509 308 HG3 GLU 42 1HG GLU 42 3.023 -6.837 1.061 309 H GLU 43 H GLU 43 6.298 -7.198 5.392 310 HA GLU 43 HA GLU 43 7.829 -4.893 5.997 311 HB2 GLU 43 2HB GLU 43 8.196 -7.835 6.262 312 HB3 GLU 43 1HB GLU 43 9.641 -6.833 6.323 313 HG2 GLU 43 2HG GLU 43 7.253 -6.281 8.048 314 HG3 GLU 43 1HG GLU 43 8.515 -7.417 8.526 315 H ILE 44 H ILE 44 8.345 -3.743 4.185 316 HA ILE 44 HA ILE 44 9.870 -5.093 2.074 317 HB ILE 44 HB ILE 44 8.600 -2.349 2.090 318 HG12 ILE 44 2HG1 ILE 44 7.639 -4.364 0.183 319 HG13 ILE 44 1HG1 ILE 44 7.353 -4.799 1.864 320 HG21 ILE 44 1HG2 ILE 44 10.528 -2.351 0.657 321 HG22 ILE 44 2HG2 ILE 44 9.076 -2.390 -0.345 322 HG23 ILE 44 3HG2 ILE 44 10.018 -3.862 -0.098 323 HD11 ILE 44 3HD1 ILE 44 5.915 -2.989 0.215 324 HD12 ILE 44 1HD1 ILE 44 6.614 -2.088 1.561 325 HD13 ILE 44 2HD1 ILE 44 5.568 -3.487 1.870 326 HA PRO 45 HA PRO 45 13.284 -3.010 4.273 327 HB2 PRO 45 2HB PRO 45 15.193 -4.778 3.636 328 HB3 PRO 45 1HB PRO 45 13.994 -5.120 4.891 329 HG2 PRO 45 2HG PRO 45 14.049 -6.022 2.033 330 HG3 PRO 45 1HG PRO 45 13.690 -6.963 3.492 331 HD2 PRO 45 2HD PRO 45 11.759 -5.947 1.860 332 HD3 PRO 45 1HD PRO 45 11.527 -6.205 3.600 333 H PHE 46 H PHE 46 15.226 -2.007 3.584 334 HA PHE 46 HA PHE 46 15.164 -1.145 0.819 335 HB2 PHE 46 2HB PHE 46 16.785 0.532 1.521 336 HB3 PHE 46 1HB PHE 46 15.446 0.488 2.663 337 HD1 PHE 46 1HD PHE 46 15.750 -0.509 4.888 338 HD2 PHE 46 2HD PHE 46 19.004 -0.065 2.185 339 HE1 PHE 46 1HE PHE 46 17.326 -0.849 6.742 340 HE2 PHE 46 2HE PHE 46 20.588 -0.408 4.036 341 HZ PHE 46 HZ PHE 46 19.751 -0.801 6.316 342 H GLU 47 H GLU 47 17.658 -0.587 0.132 343 HA GLU 47 HA GLU 47 19.401 -2.860 0.556 344 HB2 GLU 47 2HB GLU 47 17.664 -3.266 -1.397 345 HB3 GLU 47 1HB GLU 47 18.786 -2.261 -2.303 346 HG2 GLU 47 2HG GLU 47 20.075 -4.394 -0.782 347 HG3 GLU 47 1HG GLU 47 18.955 -4.966 -2.017 348 H VAL 48 H VAL 48 21.272 -1.899 0.975 349 HA VAL 48 HA VAL 48 21.943 0.724 0.162 350 HB VAL 48 HB VAL 48 23.895 -1.396 1.057 351 HG11 VAL 48 1HG1 VAL 48 25.104 0.471 0.361 352 HG12 VAL 48 2HG1 VAL 48 24.948 0.699 2.104 353 HG13 VAL 48 3HG1 VAL 48 23.909 1.600 1.001 354 HG21 VAL 48 3HG2 VAL 48 21.724 -0.093 2.522 355 HG22 VAL 48 1HG2 VAL 48 23.300 0.040 3.302 356 HG23 VAL 48 2HG2 VAL 48 22.641 -1.548 2.909 357 H ILE 49 H ILE 49 23.415 1.466 -1.360 358 HA ILE 49 HA ILE 49 24.266 -0.486 -3.397 359 HB ILE 49 HB ILE 49 23.407 2.353 -3.956 360 HG12 ILE 49 2HG1 ILE 49 21.485 1.019 -3.239 361 HG13 ILE 49 1HG1 ILE 49 21.388 1.363 -4.964 362 HG21 ILE 49 1HG2 ILE 49 23.338 1.419 -6.323 363 HG22 ILE 49 2HG2 ILE 49 24.267 0.059 -5.692 364 HG23 ILE 49 3HG2 ILE 49 24.929 1.692 -5.614 365 HD11 ILE 49 3HD1 ILE 49 20.769 -0.965 -4.274 366 HD12 ILE 49 1HD1 ILE 49 22.466 -1.214 -3.865 367 HD13 ILE 49 2HD1 ILE 49 22.006 -0.848 -5.527 368 H LYS 50 H LYS 50 26.171 0.087 -4.604 369 HA LYS 50 HA LYS 50 28.016 1.744 -3.027 370 HB2 LYS 50 2HB LYS 50 29.791 0.482 -4.326 371 HB3 LYS 50 1HB LYS 50 28.847 -0.469 -3.188 372 HG2 LYS 50 2HG LYS 50 27.907 -1.722 -4.805 373 HG3 LYS 50 1HG LYS 50 27.810 -0.376 -5.941 374 HD2 LYS 50 2HD LYS 50 29.481 -1.426 -7.010 375 HD3 LYS 50 1HD LYS 50 30.504 -0.743 -5.746 376 HE2 LYS 50 2HE LYS 50 30.805 -2.737 -4.729 377 HE3 LYS 50 1HE LYS 50 29.161 -3.277 -5.073 378 HZ1 LYS 50 3HZ LYS 50 30.830 -4.583 -6.259 379 HZ2 LYS 50 1HZ LYS 50 31.379 -3.191 -7.048 380 HZ3 LYS 50 2HZ LYS 50 29.814 -3.763 -7.334 381 H LYS 51 H LYS 51 27.866 3.771 -3.830 382 HA LYS 51 HA LYS 51 27.892 4.163 -6.727 383 HB2 LYS 51 2HB LYS 51 26.486 5.428 -4.746 384 HB3 LYS 51 1HB LYS 51 27.815 6.547 -5.013 385 HG2 LYS 51 2HG LYS 51 26.353 7.363 -6.537 386 HG3 LYS 51 1HG LYS 51 27.144 6.150 -7.546 387 HD2 LYS 51 2HD LYS 51 25.356 4.576 -7.124 388 HD3 LYS 51 1HD LYS 51 24.593 5.701 -5.999 389 HE2 LYS 51 2HE LYS 51 24.690 7.293 -8.120 390 HE3 LYS 51 1HE LYS 51 24.692 5.746 -8.968 391 HZ1 LYS 51 3HZ LYS 51 22.646 6.718 -7.049 392 HZ2 LYS 51 1HZ LYS 51 22.675 5.155 -7.696 393 HZ3 LYS 51 2HZ LYS 51 22.451 6.488 -8.712 394 H GLU 52 H GLU 52 29.461 5.356 -7.792 395 HA GLU 52 HA GLU 52 31.964 5.734 -6.285 396 HB2 GLU 52 2HB GLU 52 31.374 4.807 -9.056 397 HB3 GLU 52 1HB GLU 52 32.852 5.723 -8.796 398 HG2 GLU 52 2HG GLU 52 33.680 3.656 -8.441 399 HG3 GLU 52 1HG GLU 52 33.114 3.982 -6.805 400 H ASN 53 H ASN 53 32.632 7.751 -5.987 401 HA ASN 53 HA ASN 53 31.716 9.826 -7.867 402 HB2 ASN 53 2HB ASN 53 30.863 9.709 -5.330 403 HB3 ASN 53 1HB ASN 53 32.360 10.598 -5.070 404 HD21 ASN 53 1HD2 ASN 53 31.153 12.411 -4.431 405 HD22 ASN 53 2HD2 ASN 53 30.361 13.417 -5.591 406 HA PRO 54 HA PRO 54 36.112 10.459 -8.333 407 HB2 PRO 54 2HB PRO 54 36.014 12.553 -10.024 408 HB3 PRO 54 1HB PRO 54 35.605 10.913 -10.538 409 HG2 PRO 54 2HG PRO 54 33.789 13.167 -9.775 410 HG3 PRO 54 1HG PRO 54 33.650 12.028 -11.126 411 HD2 PRO 54 2HD PRO 54 32.256 11.767 -8.797 412 HD3 PRO 54 1HD PRO 54 32.731 10.387 -9.807 413 H ASN 55 H ASN 55 33.860 12.915 -7.271 414 HA ASN 55 HA ASN 55 35.577 15.017 -6.691 415 HB2 ASN 55 2HB ASN 55 32.995 14.090 -5.467 416 HB3 ASN 55 1HB ASN 55 33.860 15.465 -4.789 417 HD21 ASN 55 1HD2 ASN 55 31.387 14.748 -6.676 418 HD22 ASN 55 2HD2 ASN 55 31.415 16.076 -7.780 419 H LEU 56 H LEU 56 34.590 12.337 -4.566 420 HA LEU 56 HA LEU 56 36.129 13.078 -2.347 421 HB2 LEU 56 2HB LEU 56 35.409 10.269 -3.180 422 HB3 LEU 56 1HB LEU 56 35.818 10.810 -1.563 423 HG LEU 56 HG LEU 56 33.451 11.992 -2.962 424 HD11 LEU 56 1HD1 LEU 56 33.362 9.467 -3.085 425 HD12 LEU 56 2HD1 LEU 56 32.019 10.258 -2.259 426 HD13 LEU 56 3HD1 LEU 56 33.295 9.479 -1.322 427 HD21 LEU 56 3HD2 LEU 56 34.518 11.790 -0.209 428 HD22 LEU 56 1HD2 LEU 56 32.765 11.738 -0.397 429 HD23 LEU 56 2HD2 LEU 56 33.676 13.119 -1.008 430 HA PRO 57 HA PRO 57 40.214 11.780 -3.414 431 HB2 PRO 57 2HB PRO 57 40.910 10.792 -0.829 432 HB3 PRO 57 1HB PRO 57 41.185 12.409 -1.477 433 HG2 PRO 57 2HG PRO 57 39.461 11.795 0.607 434 HG3 PRO 57 1HG PRO 57 39.402 13.273 -0.367 435 HD2 PRO 57 2HD PRO 57 37.747 10.795 -0.578 436 HD3 PRO 57 1HD PRO 57 37.279 12.493 -0.818 437 H ALA 58 H ALA 58 38.153 9.641 -3.753 438 HA ALA 58 HA ALA 58 38.076 7.434 -4.285 439 HB1 ALA 58 1HB ALA 58 40.958 8.078 -4.439 440 HB2 ALA 58 2HB ALA 58 39.876 7.412 -5.661 441 HB3 ALA 58 3HB ALA 58 40.522 6.370 -4.393 442 H GLY 59 H GLY 59 37.305 5.964 -2.930 443 HA2 GLY 59 2HA GLY 59 37.554 4.237 -1.333 444 HA3 GLY 59 1HA GLY 59 38.973 5.056 -0.702 445 H GLN 60 H GLN 60 37.460 7.650 -0.662 446 HA GLN 60 HA GLN 60 36.525 7.450 2.016 447 HB2 GLN 60 2HB GLN 60 37.571 9.484 0.914 448 HB3 GLN 60 1HB GLN 60 36.023 9.744 0.122 449 HG2 GLN 60 2HG GLN 60 36.029 9.421 3.068 450 HG3 GLN 60 1HG GLN 60 36.666 10.923 2.400 451 HE21 GLN 60 1HE2 GLN 60 34.858 11.886 3.546 452 HE22 GLN 60 2HE2 GLN 60 33.306 11.926 2.788 453 H GLU 61 H GLU 61 34.546 7.081 2.789 454 HA GLU 61 HA GLU 61 32.376 6.661 0.876 455 HB2 GLU 61 2HB GLU 61 33.142 5.031 2.799 456 HB3 GLU 61 1HB GLU 61 32.126 6.064 3.796 457 HG2 GLU 61 2HG GLU 61 30.192 5.421 2.732 458 HG3 GLU 61 1HG GLU 61 31.035 4.942 1.261 459 H ASN 62 H ASN 62 30.213 7.430 1.377 460 HA ASN 62 HA ASN 62 29.898 9.556 3.293 461 HB2 ASN 62 2HB ASN 62 31.018 10.648 1.311 462 HB3 ASN 62 1HB ASN 62 29.587 10.248 0.369 463 HD21 ASN 62 1HD2 ASN 62 28.549 12.080 0.031 464 HD22 ASN 62 2HD2 ASN 62 28.137 13.245 1.238 465 H ILE 63 H ILE 63 27.957 9.213 4.124 466 HA ILE 63 HA ILE 63 25.921 7.864 2.523 467 HB ILE 63 HB ILE 63 25.814 8.567 5.457 468 HG12 ILE 63 2HG1 ILE 63 26.701 6.008 4.104 469 HG13 ILE 63 1HG1 ILE 63 27.719 7.101 5.033 470 HG21 ILE 63 1HG2 ILE 63 24.117 6.728 5.483 471 HG22 ILE 63 2HG2 ILE 63 24.179 6.728 3.721 472 HG23 ILE 63 3HG2 ILE 63 23.631 8.166 4.583 473 HD11 ILE 63 3HD1 ILE 63 26.583 6.547 7.055 474 HD12 ILE 63 1HD1 ILE 63 27.034 5.047 6.244 475 HD13 ILE 63 2HD1 ILE 63 25.367 5.620 6.175 476 H ILE 64 H ILE 64 24.130 8.820 1.789 477 HA ILE 64 HA ILE 64 23.717 11.653 2.459 478 HB ILE 64 HB ILE 64 22.549 10.179 0.102 479 HG12 ILE 64 2HG1 ILE 64 24.973 10.073 -0.078 480 HG13 ILE 64 1HG1 ILE 64 24.345 11.236 -1.240 481 HG21 ILE 64 1HG2 ILE 64 22.526 12.608 -0.759 482 HG22 ILE 64 2HG2 ILE 64 22.718 13.049 0.937 483 HG23 ILE 64 3HG2 ILE 64 21.312 12.117 0.423 484 HD11 ILE 64 3HD1 ILE 64 26.366 12.049 -0.163 485 HD12 ILE 64 1HD1 ILE 64 25.591 11.906 1.414 486 HD13 ILE 64 2HD1 ILE 64 24.980 13.065 0.233 487 H THR 65 H THR 65 22.083 8.549 2.133 488 HA THR 65 HA THR 65 20.007 9.466 3.955 489 HB THR 65 HB THR 65 19.244 8.141 1.353 490 HG1 THR 65 1HG THR 65 19.130 10.895 2.013 491 HG21 THR 65 3HG2 THR 65 17.269 9.822 2.619 492 HG22 THR 65 1HG2 THR 65 17.793 8.512 3.678 493 HG23 THR 65 2HG2 THR 65 17.152 8.149 2.075 494 H ALA 66 H ALA 66 20.636 8.024 5.500 495 HA ALA 66 HA ALA 66 21.543 5.451 5.224 496 HB1 ALA 66 1HB ALA 66 20.028 6.830 7.396 497 HB2 ALA 66 2HB ALA 66 21.706 6.288 7.367 498 HB3 ALA 66 3HB ALA 66 20.401 5.111 7.534 499 H GLY 67 H GLY 67 20.717 3.553 4.633 500 HA2 GLY 67 2HA GLY 67 18.092 3.343 3.582 501 HA3 GLY 67 1HA GLY 67 19.217 2.013 3.825 502 H VAL 68 H VAL 68 16.224 2.969 4.583 503 HA VAL 68 HA VAL 68 16.258 1.481 7.118 504 HB VAL 68 HB VAL 68 14.508 3.891 6.632 505 HG11 VAL 68 1HG1 VAL 68 14.213 3.685 9.136 506 HG12 VAL 68 2HG1 VAL 68 14.968 2.097 9.001 507 HG13 VAL 68 3HG1 VAL 68 13.454 2.428 8.158 508 HG21 VAL 68 3HG2 VAL 68 17.004 3.684 8.313 509 HG22 VAL 68 1HG2 VAL 68 15.935 5.083 8.213 510 HG23 VAL 68 2HG2 VAL 68 16.852 4.569 6.795 511 H LYS 69 H LYS 69 14.824 -0.116 7.220 512 HA LYS 69 HA LYS 69 13.321 -0.891 4.985 513 HB2 LYS 69 2HB LYS 69 12.871 -1.795 7.828 514 HB3 LYS 69 1HB LYS 69 12.469 -2.671 6.357 515 HG2 LYS 69 2HG LYS 69 14.396 -3.737 6.740 516 HG3 LYS 69 1HG LYS 69 15.130 -2.301 6.022 517 HD2 LYS 69 2HD LYS 69 15.949 -1.572 7.999 518 HD3 LYS 69 1HD LYS 69 14.543 -2.131 8.906 519 HE2 LYS 69 2HE LYS 69 16.457 -3.407 9.594 520 HE3 LYS 69 1HE LYS 69 15.380 -4.456 8.673 521 HZ1 LYS 69 3HZ LYS 69 17.487 -3.083 7.194 522 HZ2 LYS 69 1HZ LYS 69 16.852 -4.636 6.981 523 HZ3 LYS 69 2HZ LYS 69 17.966 -4.340 8.218 524 H GLY 70 H GLY 70 11.578 0.075 4.210 525 HA2 GLY 70 2HA GLY 70 9.883 1.729 5.854 526 HA3 GLY 70 1HA GLY 70 9.670 1.387 4.140 527 H GLU 71 H GLU 71 7.456 0.923 4.258 528 HA GLU 71 HA GLU 71 6.783 -1.737 4.797 529 HB2 GLU 71 2HB GLU 71 7.001 -0.551 7.172 530 HB3 GLU 71 1HB GLU 71 5.385 0.015 6.769 531 HG2 GLU 71 2HG GLU 71 4.720 -2.357 6.406 532 HG3 GLU 71 1HG GLU 71 6.305 -2.839 7.007 533 H ARG 72 H ARG 72 5.494 -1.860 3.078 534 HA ARG 72 HA ARG 72 3.673 0.355 2.590 535 HB2 ARG 72 2HB ARG 72 3.864 -0.019 0.396 536 HB3 ARG 72 1HB ARG 72 5.259 -0.973 0.818 537 HG2 ARG 72 2HG ARG 72 3.989 -2.994 0.677 538 HG3 ARG 72 1HG ARG 72 2.489 -2.090 0.487 539 HD2 ARG 72 2HD ARG 72 3.429 -3.032 -1.643 540 HD3 ARG 72 1HD ARG 72 3.130 -1.299 -1.659 541 HE ARG 72 HE ARG 72 5.721 -1.423 -0.962 542 HH11 ARG 72 1HH1 ARG 72 3.920 -2.935 -3.541 543 HH12 ARG 72 2HH1 ARG 72 5.274 -2.993 -4.619 544 HH21 ARG 72 1HH2 ARG 72 7.500 -1.498 -2.378 545 HH22 ARG 72 2HH2 ARG 72 7.306 -2.178 -3.959 546 H THR 73 H THR 73 1.549 0.152 2.444 547 HA THR 73 HA THR 73 0.424 -1.987 3.968 548 HB THR 73 HB THR 73 -0.913 0.257 2.469 549 HG1 THR 73 1HG THR 73 -0.080 1.282 4.120 550 HG21 THR 73 3HG2 THR 73 -2.199 -1.301 4.654 551 HG22 THR 73 1HG2 THR 73 -2.292 -1.831 2.975 552 HG23 THR 73 2HG2 THR 73 -2.934 -0.253 3.439 553 H HIS 74 H HIS 74 -1.070 -3.543 3.216 554 HA HIS 74 HA HIS 74 -1.086 -3.892 0.319 555 HB2 HIS 74 2HB HIS 74 -0.035 -5.667 2.396 556 HB3 HIS 74 1HB HIS 74 -1.036 -6.460 1.167 557 HD1 HIS 74 1HD HIS 74 2.008 -4.366 1.601 558 HD2 HIS 74 2HD HIS 74 0.084 -6.590 -1.327 559 HE1 HIS 74 1HE HIS 74 3.613 -4.448 -0.363 560 HE2 HIS 74 2HE HIS 74 2.274 -5.530 -2.204 561 H TYR 75 H TYR 75 -2.972 -3.896 -0.478 562 HA TYR 75 HA TYR 75 -5.256 -4.386 1.221 563 HB2 TYR 75 2HB TYR 75 -5.759 -3.731 -1.601 564 HB3 TYR 75 1HB TYR 75 -6.448 -3.035 -0.147 565 HD1 TYR 75 1HD TYR 75 -3.262 -2.404 0.715 566 HD2 TYR 75 2HD TYR 75 -5.912 -1.408 -2.469 567 HE1 TYR 75 1HE TYR 75 -1.944 -0.368 0.288 568 HE2 TYR 75 2HE TYR 75 -4.630 0.643 -2.881 569 HH TYR 75 HH TYR 75 -2.737 2.061 -0.875 570 H ILE 76 H ILE 76 -5.826 -6.408 1.469 571 HA ILE 76 HA ILE 76 -5.512 -8.336 -0.684 572 HB ILE 76 HB ILE 76 -6.435 -8.669 2.174 573 HG12 ILE 76 2HG1 ILE 76 -4.227 -9.888 2.362 574 HG13 ILE 76 1HG1 ILE 76 -3.826 -9.255 0.769 575 HG21 ILE 76 1HG2 ILE 76 -7.476 -10.384 0.874 576 HG22 ILE 76 2HG2 ILE 76 -6.119 -11.107 1.735 577 HG23 ILE 76 3HG2 ILE 76 -5.970 -10.724 0.022 578 HD11 ILE 76 3HD1 ILE 76 -3.483 -7.156 1.543 579 HD12 ILE 76 1HD1 ILE 76 -3.089 -8.056 3.007 580 HD13 ILE 76 2HD1 ILE 76 -4.678 -7.312 2.831 581 H SER 77 H SER 77 -7.292 -9.763 -1.286 582 HA SER 77 HA SER 77 -9.862 -8.331 -1.266 583 HB2 SER 77 2HB SER 77 -9.155 -8.553 -3.511 584 HB3 SER 77 1HB SER 77 -8.615 -10.213 -3.264 585 HG SER 77 HG SER 77 -10.619 -10.116 -4.365 586 H VAL 78 H VAL 78 -11.358 -9.141 0.029 587 HA VAL 78 HA VAL 78 -11.130 -11.836 1.056 588 HB VAL 78 HB VAL 78 -13.323 -9.836 1.600 589 HG11 VAL 78 1HG1 VAL 78 -12.611 -12.497 2.640 590 HG12 VAL 78 2HG1 VAL 78 -14.176 -11.691 2.556 591 HG13 VAL 78 3HG1 VAL 78 -13.048 -11.294 3.852 592 HG21 VAL 78 3HG2 VAL 78 -10.859 -10.278 3.273 593 HG22 VAL 78 1HG2 VAL 78 -12.094 -9.033 3.463 594 HG23 VAL 78 2HG2 VAL 78 -10.998 -8.985 2.081 595 H LEU 79 H LEU 79 -11.659 -13.304 -0.495 596 HA LEU 79 HA LEU 79 -14.232 -12.989 -1.875 597 HB2 LEU 79 2HB LEU 79 -11.657 -14.224 -2.564 598 HB3 LEU 79 1HB LEU 79 -13.055 -15.188 -3.001 599 HG LEU 79 HG LEU 79 -12.241 -13.719 -4.830 600 HD11 LEU 79 1HD1 LEU 79 -14.393 -14.257 -5.287 601 HD12 LEU 79 2HD1 LEU 79 -14.617 -12.527 -5.034 602 HD13 LEU 79 3HD1 LEU 79 -14.990 -13.664 -3.737 603 HD21 LEU 79 3HD2 LEU 79 -12.164 -11.441 -4.698 604 HD22 LEU 79 1HD2 LEU 79 -11.775 -11.847 -3.027 605 HD23 LEU 79 2HD2 LEU 79 -13.413 -11.358 -3.457 606 H THR 80 H THR 80 -15.830 -14.522 -1.741 607 HA THR 80 HA THR 80 -15.664 -16.308 0.549 608 HB THR 80 HB THR 80 -18.145 -16.699 -0.141 609 HG1 THR 80 1HG THR 80 -18.390 -15.785 -2.056 610 HG21 THR 80 3HG2 THR 80 -17.028 -14.188 1.017 611 HG22 THR 80 1HG2 THR 80 -17.925 -15.487 1.803 612 HG23 THR 80 2HG2 THR 80 -18.763 -14.352 0.745 613 H GLU 81 H GLU 81 -14.400 -18.018 -0.106 614 HA GLU 81 HA GLU 81 -15.222 -19.499 -2.497 615 HB2 GLU 81 2HB GLU 81 -12.736 -19.499 -0.811 616 HB3 GLU 81 1HB GLU 81 -13.082 -20.835 -1.902 617 HG2 GLU 81 2HG GLU 81 -13.219 -18.086 -3.002 618 HG3 GLU 81 1HG GLU 81 -11.628 -18.748 -2.629 619 H ASN 82 H ASN 82 -16.845 -20.863 -2.070 620 HA ASN 82 HA ASN 82 -18.033 -22.580 -1.167 621 HB2 ASN 82 2HB ASN 82 -15.287 -23.270 -0.118 622 HB3 ASN 82 1HB ASN 82 -16.691 -24.305 0.124 623 HD21 ASN 82 1HD2 ASN 82 -14.070 -23.821 -1.759 624 HD22 ASN 82 2HD2 ASN 82 -14.595 -24.600 -3.209 625 H GLY 83 H GLY 83 -17.920 -20.062 0.237 626 HA2 GLY 83 2HA GLY 83 -18.965 -19.297 2.161 627 HA3 GLY 83 1HA GLY 83 -19.024 -20.951 2.749 628 H LYS 84 H LYS 84 -16.122 -19.251 1.701 629 HA LYS 84 HA LYS 84 -15.276 -18.871 4.465 630 HB2 LYS 84 2HB LYS 84 -14.549 -21.177 3.269 631 HB3 LYS 84 1HB LYS 84 -13.239 -20.137 2.729 632 HG2 LYS 84 2HG LYS 84 -13.911 -20.037 5.604 633 HG3 LYS 84 1HG LYS 84 -13.160 -21.518 5.008 634 HD2 LYS 84 2HD LYS 84 -11.984 -18.892 4.230 635 HD3 LYS 84 1HD LYS 84 -11.699 -19.504 5.862 636 HE2 LYS 84 2HE LYS 84 -11.032 -21.697 4.663 637 HE3 LYS 84 1HE LYS 84 -10.882 -20.680 3.230 638 HZ1 LYS 84 3HZ LYS 84 -9.553 -19.812 5.692 639 HZ2 LYS 84 1HZ LYS 84 -9.092 -19.583 4.080 640 HZ3 LYS 84 2HZ LYS 84 -8.860 -21.086 4.821 641 H THR 85 H THR 85 -13.661 -17.318 4.731 642 HA THR 85 HA THR 85 -13.242 -15.617 2.378 643 HB THR 85 HB THR 85 -12.601 -13.881 4.080 644 HG1 THR 85 1HG THR 85 -13.652 -15.735 5.943 645 HG21 THR 85 3HG2 THR 85 -15.338 -15.092 4.355 646 HG22 THR 85 1HG2 THR 85 -14.843 -13.807 3.251 647 HG23 THR 85 2HG2 THR 85 -14.867 -13.515 4.990 648 H THR 86 H THR 86 -11.341 -15.677 1.401 649 HA THR 86 HA THR 86 -8.997 -16.599 2.924 650 HB THR 86 HB THR 86 -9.135 -16.516 -0.076 651 HG1 THR 86 1HG THR 86 -10.293 -18.281 -0.143 652 HG21 THR 86 3HG2 THR 86 -7.695 -18.562 0.203 653 HG22 THR 86 1HG2 THR 86 -7.579 -18.138 1.911 654 HG23 THR 86 2HG2 THR 86 -6.969 -17.028 0.683 655 H GLU 87 H GLU 87 -6.993 -15.536 2.644 656 HA GLU 87 HA GLU 87 -7.282 -12.728 1.830 657 HB2 GLU 87 2HB GLU 87 -5.129 -12.465 3.191 658 HB3 GLU 87 1HB GLU 87 -6.612 -12.786 4.078 659 HG2 GLU 87 2HG GLU 87 -5.035 -15.146 3.289 660 HG3 GLU 87 1HG GLU 87 -4.312 -14.090 4.502 661 H THR 88 H THR 88 -6.718 -12.562 -0.260 662 HA THR 88 HA THR 88 -4.105 -13.675 -1.052 663 HB THR 88 HB THR 88 -6.581 -13.344 -2.758 664 HG1 THR 88 1HG THR 88 -6.719 -15.165 -1.478 665 HG21 THR 88 3HG2 THR 88 -3.772 -13.951 -3.467 666 HG22 THR 88 1HG2 THR 88 -5.015 -13.095 -4.379 667 HG23 THR 88 2HG2 THR 88 -5.048 -14.857 -4.284 668 H VAL 89 H VAL 89 -2.648 -12.169 -1.506 669 HA VAL 89 HA VAL 89 -3.031 -9.445 -1.439 670 HB VAL 89 HB VAL 89 -0.936 -10.791 -3.142 671 HG11 VAL 89 1HG1 VAL 89 0.280 -8.679 -2.017 672 HG12 VAL 89 2HG1 VAL 89 -1.370 -8.060 -2.108 673 HG13 VAL 89 3HG1 VAL 89 -0.550 -8.605 -3.571 674 HG21 VAL 89 3HG2 VAL 89 0.398 -10.430 -0.906 675 HG22 VAL 89 1HG2 VAL 89 -0.573 -11.881 -1.156 676 HG23 VAL 89 2HG2 VAL 89 -1.205 -10.552 -0.185 677 H LEU 90 H LEU 90 -4.234 -8.171 -2.675 678 HA LEU 90 HA LEU 90 -4.630 -8.896 -5.493 679 HB2 LEU 90 2HB LEU 90 -6.460 -8.242 -3.534 680 HB3 LEU 90 1HB LEU 90 -6.305 -6.748 -4.438 681 HG LEU 90 HG LEU 90 -8.160 -8.211 -5.217 682 HD11 LEU 90 1HD1 LEU 90 -7.312 -6.592 -6.744 683 HD12 LEU 90 2HD1 LEU 90 -7.539 -8.097 -7.636 684 HD13 LEU 90 3HD1 LEU 90 -5.921 -7.604 -7.135 685 HD21 LEU 90 3HD2 LEU 90 -6.299 -10.009 -6.620 686 HD22 LEU 90 1HD2 LEU 90 -7.880 -10.335 -5.911 687 HD23 LEU 90 2HD2 LEU 90 -6.450 -10.270 -4.881 688 H ASP 91 H ASP 91 -4.693 -5.810 -3.702 689 HA ASP 91 HA ASP 91 -2.686 -4.746 -5.554 690 HB2 ASP 91 2HB ASP 91 -5.180 -3.175 -4.913 691 HB3 ASP 91 1HB ASP 91 -3.969 -2.846 -6.150 692 H SER 92 H SER 92 -1.287 -3.332 -4.655 693 HA SER 92 HA SER 92 -1.920 -2.099 -2.083 694 HB2 SER 92 2HB SER 92 -0.080 -2.862 -0.928 695 HB3 SER 92 1HB SER 92 -0.710 -4.312 -1.716 696 HG SER 92 HG SER 92 0.961 -4.310 -3.105 697 H GLN 93 H GLN 93 -0.278 -0.562 -1.419 698 HA GLN 93 HA GLN 93 1.112 0.700 -3.682 699 HB2 GLN 93 2HB GLN 93 -0.730 1.907 -1.633 700 HB3 GLN 93 1HB GLN 93 0.485 2.886 -2.449 701 HG2 GLN 93 2HG GLN 93 -1.303 1.243 -4.147 702 HG3 GLN 93 1HG GLN 93 -2.001 2.651 -3.347 703 HE21 GLN 93 1HE2 GLN 93 -2.305 3.359 -5.585 704 HE22 GLN 93 2HE2 GLN 93 -1.010 4.182 -6.377 705 H VAL 94 H VAL 94 2.800 2.298 -2.847 706 HA VAL 94 HA VAL 94 4.219 1.011 -0.669 707 HB VAL 94 HB VAL 94 5.520 1.679 -2.634 708 HG11 VAL 94 1HG1 VAL 94 5.274 3.626 -3.686 709 HG12 VAL 94 2HG1 VAL 94 5.504 4.540 -2.196 710 HG13 VAL 94 3HG1 VAL 94 3.903 3.936 -2.623 711 HG21 VAL 94 3HG2 VAL 94 6.458 1.774 -0.269 712 HG22 VAL 94 1HG2 VAL 94 6.297 3.526 -0.395 713 HG23 VAL 94 2HG2 VAL 94 7.344 2.655 -1.516 714 H THR 95 H THR 95 3.434 1.546 1.279 715 HA THR 95 HA THR 95 2.881 4.393 1.762 716 HB THR 95 HB THR 95 1.087 3.783 3.207 717 HG1 THR 95 1HG THR 95 1.860 2.058 4.312 718 HG21 THR 95 3HG2 THR 95 -0.234 3.433 1.463 719 HG22 THR 95 1HG2 THR 95 0.110 1.700 1.584 720 HG23 THR 95 2HG2 THR 95 1.091 2.735 0.535 721 H LYS 96 H LYS 96 5.062 4.585 2.306 722 HA LYS 96 HA LYS 96 5.769 5.042 4.815 723 HB2 LYS 96 2HB LYS 96 5.906 2.126 4.351 724 HB3 LYS 96 1HB LYS 96 7.306 2.833 5.138 725 HG2 LYS 96 2HG LYS 96 5.075 3.913 6.443 726 HG3 LYS 96 1HG LYS 96 4.734 2.194 6.235 727 HD2 LYS 96 2HD LYS 96 5.862 2.396 8.306 728 HD3 LYS 96 1HD LYS 96 7.047 1.757 7.164 729 HE2 LYS 96 2HE LYS 96 8.296 3.397 8.148 730 HE3 LYS 96 1HE LYS 96 7.587 4.312 6.820 731 HZ1 LYS 96 3HZ LYS 96 7.495 5.373 9.088 732 HZ2 LYS 96 1HZ LYS 96 6.346 4.204 9.506 733 HZ3 LYS 96 2HZ LYS 96 6.027 5.293 8.253 734 H GLU 97 H GLU 97 6.759 3.632 1.803 735 HA GLU 97 HA GLU 97 8.549 3.963 0.449 736 HB2 GLU 97 2HB GLU 97 9.105 6.407 2.133 737 HB3 GLU 97 1HB GLU 97 9.612 6.118 0.474 738 HG2 GLU 97 2HG GLU 97 7.646 6.768 -0.376 739 HG3 GLU 97 1HG GLU 97 6.718 5.991 0.905 740 H VAL 98 H VAL 98 9.947 2.329 0.827 741 HA VAL 98 HA VAL 98 11.459 2.102 3.236 742 HB VAL 98 HB VAL 98 10.930 0.090 1.995 743 HG11 VAL 98 1HG1 VAL 98 12.725 0.170 -0.186 744 HG12 VAL 98 2HG1 VAL 98 11.751 1.640 -0.256 745 HG13 VAL 98 3HG1 VAL 98 10.965 0.062 -0.224 746 HG21 VAL 98 3HG2 VAL 98 13.791 0.012 1.481 747 HG22 VAL 98 1HG2 VAL 98 12.819 -0.912 2.624 748 HG23 VAL 98 2HG2 VAL 98 13.392 0.699 3.054 749 H ILE 99 H ILE 99 12.932 3.542 3.724 750 HA ILE 99 HA ILE 99 14.307 5.162 1.871 751 HB ILE 99 HB ILE 99 15.045 4.527 4.732 752 HG12 ILE 99 2HG1 ILE 99 14.071 7.015 4.831 753 HG13 ILE 99 1HG1 ILE 99 13.160 6.437 3.441 754 HG21 ILE 99 1HG2 ILE 99 15.968 6.783 2.954 755 HG22 ILE 99 2HG2 ILE 99 16.946 5.414 3.482 756 HG23 ILE 99 3HG2 ILE 99 16.359 6.585 4.664 757 HD11 ILE 99 3HD1 ILE 99 13.023 4.460 5.467 758 HD12 ILE 99 1HD1 ILE 99 11.726 5.451 4.798 759 HD13 ILE 99 2HD1 ILE 99 12.646 6.025 6.189 760 H ASN 100 H ASN 100 16.034 4.802 0.659 761 HA ASN 100 HA ASN 100 17.483 2.287 0.992 762 HB2 ASN 100 2HB ASN 100 17.175 4.234 -1.275 763 HB3 ASN 100 1HB ASN 100 18.483 3.056 -1.278 764 HD21 ASN 100 1HD2 ASN 100 17.357 2.368 -3.252 765 HD22 ASN 100 2HD2 ASN 100 16.066 1.231 -3.104 766 H GLN 101 H GLN 101 19.608 2.149 1.475 767 HA GLN 101 HA GLN 101 20.871 4.366 2.720 768 HB2 GLN 101 2HB GLN 101 21.230 2.000 3.388 769 HB3 GLN 101 1HB GLN 101 22.086 1.735 1.876 770 HG2 GLN 101 2HG GLN 101 23.938 2.264 2.964 771 HG3 GLN 101 1HG GLN 101 23.357 3.927 2.968 772 HE21 GLN 101 1HE2 GLN 101 24.049 4.622 4.897 773 HE22 GLN 101 2HE2 GLN 101 23.606 3.924 6.414 774 H VAL 102 H VAL 102 21.327 6.052 1.388 775 HA VAL 102 HA VAL 102 22.589 5.604 -1.184 776 HB VAL 102 HB VAL 102 22.046 8.248 0.167 777 HG11 VAL 102 1HG1 VAL 102 22.036 7.902 -2.774 778 HG12 VAL 102 2HG1 VAL 102 23.600 7.834 -1.961 779 HG13 VAL 102 3HG1 VAL 102 22.580 9.262 -1.792 780 HG21 VAL 102 3HG2 VAL 102 19.956 8.342 -1.023 781 HG22 VAL 102 1HG2 VAL 102 19.992 6.872 -0.047 782 HG23 VAL 102 2HG2 VAL 102 20.275 6.785 -1.787 783 H VAL 103 H VAL 103 24.656 4.918 -0.937 784 HA VAL 103 HA VAL 103 26.458 6.645 0.635 785 HB VAL 103 HB VAL 103 26.908 3.721 0.035 786 HG11 VAL 103 1HG1 VAL 103 28.968 4.856 0.410 787 HG12 VAL 103 2HG1 VAL 103 28.581 3.973 1.887 788 HG13 VAL 103 3HG1 VAL 103 28.312 5.714 1.803 789 HG21 VAL 103 3HG2 VAL 103 25.412 5.054 2.204 790 HG22 VAL 103 1HG2 VAL 103 26.517 3.768 2.689 791 HG23 VAL 103 2HG2 VAL 103 25.232 3.435 1.527 792 H GLU 104 H GLU 104 27.981 7.669 -0.480 793 HA GLU 104 HA GLU 104 28.626 6.693 -3.185 794 HB2 GLU 104 2HB GLU 104 28.969 9.533 -2.238 795 HB3 GLU 104 1HB GLU 104 28.965 8.933 -3.890 796 HG2 GLU 104 2HG GLU 104 26.487 8.273 -2.624 797 HG3 GLU 104 1HG GLU 104 26.819 9.992 -2.423 798 H VAL 105 H VAL 105 30.508 5.642 -3.113 799 HA VAL 105 HA VAL 105 32.617 6.566 -1.308 800 HB VAL 105 HB VAL 105 32.076 4.173 -1.270 801 HG11 VAL 105 1HG1 VAL 105 31.326 3.657 -3.422 802 HG12 VAL 105 2HG1 VAL 105 32.877 2.826 -3.297 803 HG13 VAL 105 3HG1 VAL 105 32.760 4.345 -4.186 804 HG21 VAL 105 3HG2 VAL 105 34.398 5.045 -0.843 805 HG22 VAL 105 1HG2 VAL 105 34.800 4.562 -2.491 806 HG23 VAL 105 2HG2 VAL 105 34.302 3.348 -1.315 807 H GLY 106 H GLY 106 34.777 6.892 -2.050 808 HA2 GLY 106 2HA GLY 106 34.935 8.381 -4.460 809 HA3 GLY 106 1HA GLY 106 36.290 7.926 -3.437 810 H ALA 107 H ALA 107 36.101 7.975 -6.355 811 HA ALA 107 HA ALA 107 36.776 5.152 -6.850 812 HB1 ALA 107 1HB ALA 107 35.836 5.347 -9.105 813 HB2 ALA 107 2HB ALA 107 35.297 6.985 -8.733 814 HB3 ALA 107 3HB ALA 107 34.613 5.612 -7.861 815 HA PRO 108 HA PRO 108 40.501 7.541 -7.963 816 HB2 PRO 108 2HB PRO 108 42.209 5.441 -7.758 817 HB3 PRO 108 1HB PRO 108 41.664 6.375 -6.360 818 HG2 PRO 108 2HG PRO 108 40.679 3.737 -7.376 819 HG3 PRO 108 1HG PRO 108 41.003 4.244 -5.707 820 HD2 PRO 108 2HD PRO 108 38.505 4.171 -6.750 821 HD3 PRO 108 1HD PRO 108 38.993 5.359 -5.523 822 H VAL 109 H VAL 109 39.829 4.233 -9.115 823 HA VAL 109 HA VAL 109 39.700 4.938 -11.825 824 HB VAL 109 HB VAL 109 42.109 5.360 -11.595 825 HG11 VAL 109 1HG1 VAL 109 42.304 3.533 -9.765 826 HG12 VAL 109 2HG1 VAL 109 43.659 3.804 -10.860 827 HG13 VAL 109 3HG1 VAL 109 42.572 2.441 -11.125 828 HG21 VAL 109 3HG2 VAL 109 40.957 4.240 -13.652 829 HG22 VAL 109 1HG2 VAL 109 41.914 2.835 -13.179 830 HG23 VAL 109 2HG2 VAL 109 42.715 4.354 -13.579 831 H THR 110 H THR 110 38.719 3.335 -12.912 832 HA THR 110 HA THR 110 39.154 0.564 -12.309 833 HB THR 110 HB THR 110 36.300 1.325 -11.965 834 HG1 THR 110 1HG THR 110 38.184 1.552 -9.859 835 HG21 THR 110 3HG2 THR 110 36.080 -0.668 -10.977 836 HG22 THR 110 1HG2 THR 110 37.597 -0.515 -10.093 837 HG23 THR 110 2HG2 THR 110 37.608 -1.032 -11.779 838 H HIS 111 H HIS 111 39.421 -0.043 -14.367 839 HA HIS 111 HA HIS 111 37.900 1.074 -16.524 840 HB2 HIS 111 2HB HIS 111 39.145 -0.491 -17.938 841 HB3 HIS 111 1HB HIS 111 40.228 0.356 -16.839 842 HD1 HIS 111 1HD HIS 111 41.291 -1.044 -14.912 843 HD2 HIS 111 2HD HIS 111 39.001 -3.245 -17.592 844 HE1 HIS 111 1HE HIS 111 41.861 -3.452 -14.465 845 HE2 HIS 111 2HE HIS 111 40.399 -4.768 -16.039 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -47.795 -52.853 5.335 2 H2 MET 1 2HT MET 1 -49.065 -52.696 6.478 3 H3 MET 1 3HT MET 1 -48.247 -51.301 5.900 4 HA MET 1 HA MET 1 -50.479 -51.731 4.955 5 HB2 MET 1 2HB MET 1 -47.926 -51.314 3.458 6 HB3 MET 1 1HB MET 1 -49.424 -51.434 2.545 7 HG2 MET 1 2HG MET 1 -50.185 -49.438 3.261 8 HG3 MET 1 1HG MET 1 -49.451 -49.603 4.855 9 HE1 MET 1 2HE MET 1 -45.817 -49.293 4.117 10 HE2 MET 1 3HE MET 1 -47.116 -49.733 5.226 11 HE3 MET 1 1HE MET 1 -46.562 -48.061 5.135 12 H GLY 2 H GLY 2 -49.930 -54.353 5.745 13 HA2 GLY 2 2HA GLY 2 -50.048 -55.898 3.243 14 HA3 GLY 2 1HA GLY 2 -49.663 -56.556 4.826 15 H SER 3 H SER 3 -51.454 -56.497 6.445 16 HA SER 3 HA SER 3 -54.148 -56.276 5.499 17 HB2 SER 3 2HB SER 3 -53.060 -59.041 6.089 18 HB3 SER 3 1HB SER 3 -54.757 -58.649 5.811 19 HG SER 3 HG SER 3 -53.009 -59.289 4.005 20 H SER 4 H SER 4 -52.527 -55.242 7.654 21 HA SER 4 HA SER 4 -54.211 -56.104 9.896 22 HB2 SER 4 2HB SER 4 -51.207 -55.948 9.852 23 HB3 SER 4 1HB SER 4 -52.100 -55.737 11.358 24 HG SER 4 HG SER 4 -52.362 -57.976 9.634 25 H HIS 5 H HIS 5 -54.329 -53.809 8.118 26 HA HIS 5 HA HIS 5 -54.802 -51.785 10.006 27 HB2 HIS 5 2HB HIS 5 -52.143 -51.940 9.611 28 HB3 HIS 5 1HB HIS 5 -52.567 -50.858 8.288 29 HD1 HIS 5 1HD HIS 5 -52.514 -48.471 8.901 30 HD2 HIS 5 2HD HIS 5 -53.322 -50.885 12.186 31 HE1 HIS 5 1HE HIS 5 -52.665 -46.907 10.865 32 HE2 HIS 5 2HE HIS 5 -53.242 -48.380 12.826 33 H HIS 6 H HIS 6 -53.489 -51.814 6.687 34 HA HIS 6 HA HIS 6 -56.053 -51.150 5.566 35 HB2 HIS 6 2HB HIS 6 -53.877 -49.092 5.799 36 HB3 HIS 6 1HB HIS 6 -55.025 -49.037 4.465 37 HD1 HIS 6 1HD HIS 6 -57.573 -48.691 5.141 38 HD2 HIS 6 2HD HIS 6 -54.809 -48.108 8.187 39 HE1 HIS 6 1HE HIS 6 -58.811 -47.452 6.945 40 HE2 HIS 6 2HE HIS 6 -57.096 -47.035 8.742 41 H HIS 7 H HIS 7 -55.640 -50.493 3.114 42 HA HIS 7 HA HIS 7 -53.459 -52.159 2.058 43 HB2 HIS 7 2HB HIS 7 -56.291 -52.148 0.994 44 HB3 HIS 7 1HB HIS 7 -54.947 -53.105 0.382 45 HD1 HIS 7 1HD HIS 7 -55.141 -55.454 1.090 46 HD2 HIS 7 2HD HIS 7 -56.604 -52.855 3.985 47 HE1 HIS 7 1HE HIS 7 -55.914 -56.920 2.982 48 HE2 HIS 7 2HE HIS 7 -56.874 -55.331 4.684 49 H HIS 8 H HIS 8 -53.594 -49.304 2.350 50 HA HIS 8 HA HIS 8 -54.256 -48.124 -0.171 51 HB2 HIS 8 2HB HIS 8 -53.218 -46.098 0.744 52 HB3 HIS 8 1HB HIS 8 -54.321 -46.822 1.909 53 HD1 HIS 8 1HD HIS 8 -53.215 -48.040 3.970 54 HD2 HIS 8 2HD HIS 8 -50.591 -45.900 1.562 55 HE1 HIS 8 1HE HIS 8 -51.108 -47.800 5.320 56 HE2 HIS 8 2HE HIS 8 -49.565 -46.427 3.877 57 H HIS 9 H HIS 9 -53.069 -48.039 -1.959 58 HA HIS 9 HA HIS 9 -50.627 -49.389 -2.230 59 HB2 HIS 9 2HB HIS 9 -52.459 -48.476 -3.981 60 HB3 HIS 9 1HB HIS 9 -51.230 -47.231 -4.172 61 HD1 HIS 9 1HD HIS 9 -48.660 -48.620 -4.285 62 HD2 HIS 9 2HD HIS 9 -52.088 -50.319 -5.908 63 HE1 HIS 9 1HE HIS 9 -47.844 -50.298 -5.971 64 HE2 HIS 9 2HE HIS 9 -49.935 -51.375 -6.877 65 H SER 10 H SER 10 -51.167 -45.879 -2.582 66 HA SER 10 HA SER 10 -49.863 -44.080 -2.097 67 HB2 SER 10 2HB SER 10 -49.060 -46.076 -0.067 68 HB3 SER 10 1HB SER 10 -47.915 -44.762 -0.337 69 HG SER 10 HG SER 10 -49.643 -43.301 0.047 70 H SER 11 H SER 11 -47.347 -46.544 -1.666 71 HA SER 11 HA SER 11 -45.401 -46.952 -2.768 72 HB2 SER 11 2HB SER 11 -46.402 -45.626 -5.256 73 HB3 SER 11 1HB SER 11 -45.484 -47.121 -5.072 74 HG SER 11 HG SER 11 -48.159 -46.758 -5.209 75 H GLY 12 H GLY 12 -43.600 -45.867 -2.357 76 HA2 GLY 12 2HA GLY 12 -43.475 -43.097 -1.972 77 HA3 GLY 12 1HA GLY 12 -42.086 -44.155 -2.161 78 H LEU 13 H LEU 13 -42.047 -44.983 -4.644 79 HA LEU 13 HA LEU 13 -41.492 -44.412 -6.773 80 HB2 LEU 13 2HB LEU 13 -44.031 -43.521 -6.411 81 HB3 LEU 13 1HB LEU 13 -43.225 -42.029 -6.857 82 HG LEU 13 HG LEU 13 -42.287 -43.573 -8.821 83 HD11 LEU 13 1HD1 LEU 13 -44.237 -44.986 -9.598 84 HD12 LEU 13 2HD1 LEU 13 -44.862 -44.855 -7.954 85 HD13 LEU 13 3HD1 LEU 13 -43.300 -45.621 -8.247 86 HD21 LEU 13 3HD2 LEU 13 -44.919 -42.134 -8.648 87 HD22 LEU 13 1HD2 LEU 13 -44.298 -42.797 -10.159 88 HD23 LEU 13 2HD2 LEU 13 -43.390 -41.549 -9.305 89 H VAL 14 H VAL 14 -41.184 -42.063 -8.119 90 HA VAL 14 HA VAL 14 -39.365 -40.490 -6.420 91 HB VAL 14 HB VAL 14 -38.058 -41.974 -7.873 92 HG11 VAL 14 1HG1 VAL 14 -39.853 -42.026 -9.676 93 HG12 VAL 14 2HG1 VAL 14 -38.176 -41.957 -10.220 94 HG13 VAL 14 3HG1 VAL 14 -39.172 -40.501 -10.242 95 HG21 VAL 14 3HG2 VAL 14 -36.737 -40.175 -9.059 96 HG22 VAL 14 1HG2 VAL 14 -36.994 -39.929 -7.332 97 HG23 VAL 14 2HG2 VAL 14 -37.961 -39.033 -8.502 98 HA PRO 15 HA PRO 15 -41.755 -37.059 -7.931 99 HB2 PRO 15 2HB PRO 15 -40.080 -35.045 -7.221 100 HB3 PRO 15 1HB PRO 15 -41.069 -35.926 -6.051 101 HG2 PRO 15 2HG PRO 15 -38.177 -36.284 -6.738 102 HG3 PRO 15 1HG PRO 15 -38.955 -36.271 -5.145 103 HD2 PRO 15 2HD PRO 15 -38.258 -38.563 -6.405 104 HD3 PRO 15 1HD PRO 15 -39.674 -38.453 -5.339 105 H ARG 16 H ARG 16 -41.833 -35.669 -9.682 106 HA ARG 16 HA ARG 16 -39.675 -36.008 -11.631 107 HB2 ARG 16 2HB ARG 16 -42.511 -35.015 -11.960 108 HB3 ARG 16 1HB ARG 16 -41.340 -35.138 -13.266 109 HG2 ARG 16 2HG ARG 16 -41.378 -37.454 -13.255 110 HG3 ARG 16 1HG ARG 16 -42.022 -37.534 -11.615 111 HD2 ARG 16 2HD ARG 16 -43.957 -37.964 -12.694 112 HD3 ARG 16 1HD ARG 16 -44.018 -36.208 -12.830 113 HE ARG 16 HE ARG 16 -42.611 -37.197 -15.027 114 HH11 ARG 16 1HH1 ARG 16 -45.846 -37.274 -13.721 115 HH12 ARG 16 2HH1 ARG 16 -46.603 -37.436 -15.271 116 HH21 ARG 16 1HH2 ARG 16 -43.603 -37.411 -17.066 117 HH22 ARG 16 2HH2 ARG 16 -45.329 -37.515 -17.170 118 H GLY 17 H GLY 17 -39.287 -34.224 -9.430 119 HA2 GLY 17 2HA GLY 17 -38.036 -32.217 -9.437 120 HA3 GLY 17 1HA GLY 17 -38.799 -31.776 -10.957 121 H SER 18 H SER 18 -41.073 -31.124 -10.882 122 HA SER 18 HA SER 18 -42.809 -29.906 -10.060 123 HB2 SER 18 2HB SER 18 -42.376 -31.767 -8.108 124 HB3 SER 18 1HB SER 18 -42.185 -30.266 -7.203 125 HG SER 18 HG SER 18 -44.256 -29.966 -7.329 126 H HIS 19 H HIS 19 -40.382 -29.476 -7.485 127 HA HIS 19 HA HIS 19 -40.339 -26.603 -8.147 128 HB2 HIS 19 2HB HIS 19 -41.485 -27.252 -5.964 129 HB3 HIS 19 1HB HIS 19 -39.894 -27.734 -5.385 130 HD1 HIS 19 1HD HIS 19 -38.898 -25.031 -7.224 131 HD2 HIS 19 2HD HIS 19 -41.212 -25.317 -3.783 132 HE1 HIS 19 1HE HIS 19 -38.745 -22.776 -6.120 133 HE2 HIS 19 2HE HIS 19 -40.082 -23.001 -3.997 134 H MET 20 H MET 20 -38.483 -26.402 -9.269 135 HA MET 20 HA MET 20 -36.014 -27.319 -7.946 136 HB2 MET 20 2HB MET 20 -36.709 -27.353 -10.882 137 HB3 MET 20 1HB MET 20 -35.060 -27.509 -10.291 138 HG2 MET 20 2HG MET 20 -37.075 -29.337 -9.138 139 HG3 MET 20 1HG MET 20 -36.618 -29.599 -10.819 140 HE1 MET 20 3HE MET 20 -34.064 -28.629 -7.556 141 HE2 MET 20 1HE MET 20 -34.314 -30.292 -7.024 142 HE3 MET 20 2HE MET 20 -35.699 -29.231 -7.279 143 H SER 21 H SER 21 -37.145 -25.112 -10.515 144 HA SER 21 HA SER 21 -35.556 -22.978 -9.285 145 HB2 SER 21 2HB SER 21 -34.576 -24.252 -11.455 146 HB3 SER 21 1HB SER 21 -35.565 -23.027 -12.248 147 HG SER 21 HG SER 21 -33.211 -22.607 -11.504 148 H LEU 22 H LEU 22 -36.190 -20.817 -10.002 149 HA LEU 22 HA LEU 22 -38.635 -20.486 -11.472 150 HB2 LEU 22 2HB LEU 22 -39.088 -21.152 -8.925 151 HB3 LEU 22 1HB LEU 22 -38.836 -19.431 -8.701 152 HG LEU 22 HG LEU 22 -40.598 -19.249 -10.661 153 HD11 LEU 22 1HD1 LEU 22 -41.399 -21.846 -9.364 154 HD12 LEU 22 2HD1 LEU 22 -40.663 -21.724 -10.962 155 HD13 LEU 22 3HD1 LEU 22 -42.235 -20.986 -10.657 156 HD21 LEU 22 3HD2 LEU 22 -42.388 -19.504 -8.741 157 HD22 LEU 22 1HD2 LEU 22 -41.219 -18.185 -8.737 158 HD23 LEU 22 2HD2 LEU 22 -40.948 -19.607 -7.729 159 H ASP 23 H ASP 23 -36.488 -18.948 -9.085 160 HA ASP 23 HA ASP 23 -36.831 -16.356 -10.327 161 HB2 ASP 23 2HB ASP 23 -35.144 -15.642 -8.590 162 HB3 ASP 23 1HB ASP 23 -36.625 -16.345 -7.944 163 H GLU 24 H GLU 24 -36.023 -17.035 -12.437 164 HA GLU 24 HA GLU 24 -33.167 -17.565 -12.624 165 HB2 GLU 24 2HB GLU 24 -35.189 -18.539 -14.076 166 HB3 GLU 24 1HB GLU 24 -34.823 -17.125 -15.055 167 HG2 GLU 24 2HG GLU 24 -32.871 -17.969 -15.789 168 HG3 GLU 24 1HG GLU 24 -32.512 -18.764 -14.258 169 H ASN 25 H ASN 25 -32.514 -15.491 -11.767 170 HA ASN 25 HA ASN 25 -32.889 -13.250 -13.635 171 HB2 ASN 25 2HB ASN 25 -31.841 -13.105 -10.804 172 HB3 ASN 25 1HB ASN 25 -32.365 -11.767 -11.822 173 HD21 ASN 25 1HD2 ASN 25 -33.242 -13.772 -9.359 174 HD22 ASN 25 2HD2 ASN 25 -34.957 -13.583 -9.435 175 H GLU 26 H GLU 26 -30.838 -11.661 -13.284 176 HA GLU 26 HA GLU 26 -28.517 -13.298 -14.045 177 HB2 GLU 26 2HB GLU 26 -29.379 -11.711 -15.747 178 HB3 GLU 26 1HB GLU 26 -29.056 -10.383 -14.639 179 HG2 GLU 26 2HG GLU 26 -27.318 -10.630 -16.346 180 HG3 GLU 26 1HG GLU 26 -26.691 -10.841 -14.711 181 H VAL 27 H VAL 27 -29.627 -10.776 -11.897 182 HA VAL 27 HA VAL 27 -27.308 -11.187 -10.208 183 HB VAL 27 HB VAL 27 -26.538 -9.405 -11.709 184 HG11 VAL 27 1HG1 VAL 27 -28.679 -8.444 -12.326 185 HG12 VAL 27 2HG1 VAL 27 -27.623 -7.198 -11.661 186 HG13 VAL 27 3HG1 VAL 27 -28.922 -7.872 -10.677 187 HG21 VAL 27 3HG2 VAL 27 -25.498 -8.279 -10.051 188 HG22 VAL 27 1HG2 VAL 27 -26.285 -9.484 -9.031 189 HG23 VAL 27 2HG2 VAL 27 -27.006 -7.885 -9.225 190 H ALA 28 H ALA 28 -27.649 -10.603 -8.062 191 HA ALA 28 HA ALA 28 -30.391 -10.478 -7.251 192 HB1 ALA 28 1HB ALA 28 -29.651 -11.106 -5.213 193 HB2 ALA 28 2HB ALA 28 -28.299 -9.973 -5.236 194 HB3 ALA 28 3HB ALA 28 -28.182 -11.503 -6.105 195 H ALA 29 H ALA 29 -27.678 -8.378 -6.280 196 HA ALA 29 HA ALA 29 -29.447 -6.053 -6.604 197 HB1 ALA 29 1HB ALA 29 -27.597 -5.953 -4.309 198 HB2 ALA 29 2HB ALA 29 -28.965 -7.056 -4.153 199 HB3 ALA 29 3HB ALA 29 -29.245 -5.344 -4.471 200 H ASN 30 H ASN 30 -26.114 -6.624 -5.468 201 HA ASN 30 HA ASN 30 -24.913 -5.550 -7.812 202 HB2 ASN 30 2HB ASN 30 -23.987 -3.493 -6.813 203 HB3 ASN 30 1HB ASN 30 -25.745 -3.441 -6.900 204 HD21 ASN 30 1HD2 ASN 30 -24.518 -1.728 -5.250 205 HD22 ASN 30 2HD2 ASN 30 -24.758 -2.181 -3.600 206 H VAL 31 H VAL 31 -24.665 -7.851 -6.090 207 HA VAL 31 HA VAL 31 -22.213 -7.535 -4.598 208 HB VAL 31 HB VAL 31 -22.382 -9.979 -4.227 209 HG11 VAL 31 1HG1 VAL 31 -24.729 -8.209 -3.633 210 HG12 VAL 31 2HG1 VAL 31 -23.414 -8.703 -2.567 211 HG13 VAL 31 3HG1 VAL 31 -24.651 -9.868 -3.037 212 HG21 VAL 31 3HG2 VAL 31 -25.042 -9.911 -5.608 213 HG22 VAL 31 1HG2 VAL 31 -24.075 -11.306 -5.125 214 HG23 VAL 31 2HG2 VAL 31 -23.566 -10.310 -6.490 215 H GLU 32 H GLU 32 -20.223 -8.509 -5.080 216 HA GLU 32 HA GLU 32 -19.862 -9.775 -7.669 217 HB2 GLU 32 2HB GLU 32 -18.896 -7.034 -7.008 218 HB3 GLU 32 1HB GLU 32 -17.830 -8.077 -7.940 219 HG2 GLU 32 2HG GLU 32 -20.676 -7.536 -8.726 220 HG3 GLU 32 1HG GLU 32 -19.323 -6.540 -9.257 221 H THR 33 H THR 33 -17.277 -10.026 -7.934 222 HA THR 33 HA THR 33 -16.502 -11.813 -5.902 223 HB THR 33 HB THR 33 -14.751 -10.495 -7.985 224 HG1 THR 33 1HG THR 33 -16.185 -12.936 -8.128 225 HG21 THR 33 3HG2 THR 33 -14.354 -13.251 -6.924 226 HG22 THR 33 1HG2 THR 33 -13.698 -11.863 -6.058 227 HG23 THR 33 2HG2 THR 33 -13.206 -12.175 -7.722 228 H ARG 34 H ARG 34 -16.088 -8.401 -6.256 229 HA ARG 34 HA ARG 34 -14.128 -8.364 -4.066 230 HB2 ARG 34 2HB ARG 34 -13.694 -7.155 -6.290 231 HB3 ARG 34 1HB ARG 34 -14.910 -6.001 -5.759 232 HG2 ARG 34 2HG ARG 34 -13.585 -5.466 -3.800 233 HG3 ARG 34 1HG ARG 34 -12.383 -6.673 -4.264 234 HD2 ARG 34 2HD ARG 34 -13.134 -4.241 -5.884 235 HD3 ARG 34 1HD ARG 34 -11.703 -4.385 -4.868 236 HE ARG 34 HE ARG 34 -10.728 -5.759 -6.452 237 HH11 ARG 34 1HH1 ARG 34 -14.051 -5.106 -7.318 238 HH12 ARG 34 2HH1 ARG 34 -13.882 -5.733 -8.921 239 HH21 ARG 34 1HH2 ARG 34 -10.513 -6.581 -8.561 240 HH22 ARG 34 2HH2 ARG 34 -11.877 -6.570 -9.629 241 HA PRO 35 HA PRO 35 -18.110 -7.134 -2.037 242 HB2 PRO 35 2HB PRO 35 -17.556 -8.363 0.326 243 HB3 PRO 35 1HB PRO 35 -18.309 -9.194 -1.040 244 HG2 PRO 35 2HG PRO 35 -15.445 -9.195 -0.165 245 HG3 PRO 35 1HG PRO 35 -16.449 -10.551 -0.713 246 HD2 PRO 35 2HD PRO 35 -14.661 -9.330 -2.331 247 HD3 PRO 35 1HD PRO 35 -16.181 -10.017 -2.941 248 H GLU 36 H GLU 36 -14.905 -7.305 -0.478 249 HA GLU 36 HA GLU 36 -15.118 -4.491 0.230 250 HB2 GLU 36 2HB GLU 36 -14.490 -4.925 2.586 251 HB3 GLU 36 1HB GLU 36 -16.078 -5.561 2.176 252 HG2 GLU 36 2HG GLU 36 -15.348 -7.764 2.224 253 HG3 GLU 36 1HG GLU 36 -13.653 -7.305 2.061 254 H LEU 37 H LEU 37 -13.104 -3.515 0.762 255 HA LEU 37 HA LEU 37 -10.799 -5.083 -0.185 256 HB2 LEU 37 2HB LEU 37 -11.428 -2.146 -0.320 257 HB3 LEU 37 1HB LEU 37 -9.793 -2.744 -0.538 258 HG LEU 37 HG LEU 37 -11.929 -3.953 -2.218 259 HD11 LEU 37 1HD1 LEU 37 -11.957 -2.178 -3.784 260 HD12 LEU 37 2HD1 LEU 37 -10.708 -1.293 -2.909 261 HD13 LEU 37 3HD1 LEU 37 -12.318 -1.467 -2.211 262 HD21 LEU 37 3HD2 LEU 37 -10.207 -4.540 -3.556 263 HD22 LEU 37 1HD2 LEU 37 -9.270 -4.308 -2.079 264 HD23 LEU 37 2HD2 LEU 37 -9.341 -3.026 -3.289 265 H ILE 38 H ILE 38 -9.418 -5.693 1.316 266 HA ILE 38 HA ILE 38 -9.263 -4.187 3.829 267 HB ILE 38 HB ILE 38 -7.930 -6.233 4.601 268 HG12 ILE 38 2HG1 ILE 38 -9.265 -7.472 2.187 269 HG13 ILE 38 1HG1 ILE 38 -7.544 -7.113 2.293 270 HG21 ILE 38 1HG2 ILE 38 -10.314 -5.664 5.165 271 HG22 ILE 38 2HG2 ILE 38 -9.896 -7.375 5.265 272 HG23 ILE 38 3HG2 ILE 38 -10.800 -6.768 3.878 273 HD11 ILE 38 3HD1 ILE 38 -8.312 -9.500 2.764 274 HD12 ILE 38 1HD1 ILE 38 -8.894 -8.868 4.305 275 HD13 ILE 38 2HD1 ILE 38 -7.182 -8.758 3.897 276 H THR 39 H THR 39 -6.843 -4.627 4.796 277 HA THR 39 HA THR 39 -4.789 -4.212 2.784 278 HB THR 39 HB THR 39 -4.170 -2.074 4.306 279 HG1 THR 39 1HG THR 39 -6.116 -2.219 5.493 280 HG21 THR 39 3HG2 THR 39 -5.577 -2.375 1.751 281 HG22 THR 39 1HG2 THR 39 -4.154 -1.412 2.156 282 HG23 THR 39 2HG2 THR 39 -5.769 -0.809 2.535 283 H ARG 40 H ARG 40 -2.651 -4.077 3.706 284 HA ARG 40 HA ARG 40 -2.079 -4.551 6.430 285 HB2 ARG 40 2HB ARG 40 -3.077 -6.754 5.963 286 HB3 ARG 40 1HB ARG 40 -1.965 -6.978 4.619 287 HG2 ARG 40 2HG ARG 40 -1.136 -8.233 6.452 288 HG3 ARG 40 1HG ARG 40 -0.084 -6.829 6.260 289 HD2 ARG 40 2HD ARG 40 -0.393 -6.612 8.480 290 HD3 ARG 40 1HD ARG 40 -1.903 -5.843 7.993 291 HE ARG 40 HE ARG 40 -3.046 -7.624 8.860 292 HH11 ARG 40 1HH1 ARG 40 0.302 -8.529 8.460 293 HH12 ARG 40 2HH1 ARG 40 0.120 -10.043 9.282 294 HH21 ARG 40 1HH2 ARG 40 -3.285 -9.615 9.940 295 HH22 ARG 40 2HH2 ARG 40 -1.917 -10.659 10.121 296 H THR 41 H THR 41 0.040 -3.993 6.718 297 HA THR 41 HA THR 41 1.529 -3.337 4.336 298 HB THR 41 HB THR 41 2.952 -2.092 5.702 299 HG1 THR 41 1HG THR 41 2.107 -3.601 7.946 300 HG21 THR 41 3HG2 THR 41 0.621 -1.250 5.843 301 HG22 THR 41 1HG2 THR 41 1.634 -0.824 7.222 302 HG23 THR 41 2HG2 THR 41 0.451 -2.124 7.365 303 H GLU 42 H GLU 42 3.072 -4.326 3.419 304 HA GLU 42 HA GLU 42 4.033 -6.844 4.554 305 HB2 GLU 42 2HB GLU 42 3.433 -7.429 2.441 306 HB3 GLU 42 1HB GLU 42 3.567 -5.785 1.839 307 HG2 GLU 42 2HG GLU 42 5.141 -7.222 0.719 308 HG3 GLU 42 1HG GLU 42 5.996 -6.040 1.705 309 H GLU 43 H GLU 43 6.173 -7.230 4.902 310 HA GLU 43 HA GLU 43 7.820 -5.022 5.523 311 HB2 GLU 43 2HB GLU 43 9.599 -6.814 5.831 312 HB3 GLU 43 1HB GLU 43 8.149 -6.970 6.811 313 HG2 GLU 43 2HG GLU 43 7.387 -8.798 5.641 314 HG3 GLU 43 1HG GLU 43 8.321 -8.396 4.200 315 H ILE 44 H ILE 44 8.310 -3.740 3.817 316 HA ILE 44 HA ILE 44 9.650 -4.959 1.502 317 HB ILE 44 HB ILE 44 8.413 -2.218 1.804 318 HG12 ILE 44 2HG1 ILE 44 7.439 -4.109 -0.243 319 HG13 ILE 44 1HG1 ILE 44 7.128 -4.586 1.422 320 HG21 ILE 44 1HG2 ILE 44 10.339 -2.127 0.330 321 HG22 ILE 44 2HG2 ILE 44 8.848 -1.962 -0.600 322 HG23 ILE 44 3HG2 ILE 44 9.718 -3.496 -0.596 323 HD11 ILE 44 3HD1 ILE 44 5.746 -2.697 -0.185 324 HD12 ILE 44 1HD1 ILE 44 6.442 -1.860 1.203 325 HD13 ILE 44 2HD1 ILE 44 5.365 -3.249 1.445 326 HA PRO 45 HA PRO 45 13.196 -3.112 3.735 327 HB2 PRO 45 2HB PRO 45 15.033 -4.879 2.871 328 HB3 PRO 45 1HB PRO 45 13.917 -5.255 4.189 329 HG2 PRO 45 2HG PRO 45 13.752 -6.018 1.295 330 HG3 PRO 45 1HG PRO 45 13.468 -7.019 2.731 331 HD2 PRO 45 2HD PRO 45 11.456 -5.903 1.287 332 HD3 PRO 45 1HD PRO 45 11.341 -6.198 3.034 333 H PHE 46 H PHE 46 15.075 -2.038 3.023 334 HA PHE 46 HA PHE 46 14.910 -1.061 0.300 335 HB2 PHE 46 2HB PHE 46 16.459 0.643 1.002 336 HB3 PHE 46 1HB PHE 46 15.253 0.460 2.270 337 HD1 PHE 46 1HD PHE 46 18.746 -0.132 1.335 338 HD2 PHE 46 2HD PHE 46 15.843 -0.399 4.435 339 HE1 PHE 46 1HE PHE 46 20.539 -0.507 2.977 340 HE2 PHE 46 2HE PHE 46 17.630 -0.771 6.083 341 HZ PHE 46 HZ PHE 46 19.982 -0.826 5.355 342 H GLU 47 H GLU 47 17.383 -0.451 -0.446 343 HA GLU 47 HA GLU 47 19.078 -2.811 -0.227 344 HB2 GLU 47 2HB GLU 47 17.676 -1.928 -2.711 345 HB3 GLU 47 1HB GLU 47 19.303 -2.579 -2.853 346 HG2 GLU 47 2HG GLU 47 18.661 -4.672 -2.032 347 HG3 GLU 47 1HG GLU 47 17.145 -4.048 -1.383 348 H VAL 48 H VAL 48 20.855 -1.835 0.544 349 HA VAL 48 HA VAL 48 21.665 0.797 -0.105 350 HB VAL 48 HB VAL 48 22.364 -0.203 1.983 351 HG11 VAL 48 1HG1 VAL 48 23.269 -2.364 0.219 352 HG12 VAL 48 2HG1 VAL 48 22.724 -2.417 1.894 353 HG13 VAL 48 3HG1 VAL 48 24.386 -1.958 1.522 354 HG21 VAL 48 3HG2 VAL 48 24.563 0.571 2.050 355 HG22 VAL 48 1HG2 VAL 48 23.861 1.444 0.688 356 HG23 VAL 48 2HG2 VAL 48 24.899 0.048 0.400 357 H ILE 49 H ILE 49 23.106 1.572 -1.569 358 HA ILE 49 HA ILE 49 24.292 -0.367 -3.447 359 HB ILE 49 HB ILE 49 23.377 2.410 -4.184 360 HG12 ILE 49 2HG1 ILE 49 21.416 1.112 -3.578 361 HG13 ILE 49 1HG1 ILE 49 21.481 1.284 -5.329 362 HG21 ILE 49 1HG2 ILE 49 24.506 0.085 -5.689 363 HG22 ILE 49 2HG2 ILE 49 24.983 1.782 -5.730 364 HG23 ILE 49 3HG2 ILE 49 23.483 1.269 -6.501 365 HD11 ILE 49 3HD1 ILE 49 21.363 -0.907 -5.549 366 HD12 ILE 49 1HD1 ILE 49 21.291 -1.077 -3.795 367 HD13 ILE 49 2HD1 ILE 49 22.851 -1.097 -4.621 368 H LYS 50 H LYS 50 26.270 0.298 -4.476 369 HA LYS 50 HA LYS 50 27.773 2.296 -2.917 370 HB2 LYS 50 2HB LYS 50 28.981 -0.132 -4.236 371 HB3 LYS 50 1HB LYS 50 29.737 0.955 -3.077 372 HG2 LYS 50 2HG LYS 50 28.565 0.065 -1.284 373 HG3 LYS 50 1HG LYS 50 27.317 -0.633 -2.321 374 HD2 LYS 50 2HD LYS 50 30.191 -1.547 -2.293 375 HD3 LYS 50 1HD LYS 50 28.909 -2.298 -1.341 376 HE2 LYS 50 2HE LYS 50 27.703 -2.411 -3.680 377 HE3 LYS 50 1HE LYS 50 29.356 -2.314 -4.286 378 HZ1 LYS 50 3HZ LYS 50 28.037 -4.463 -2.820 379 HZ2 LYS 50 1HZ LYS 50 29.672 -4.197 -2.475 380 HZ3 LYS 50 2HZ LYS 50 29.187 -4.545 -4.058 381 H LYS 51 H LYS 51 27.733 4.034 -4.240 382 HA LYS 51 HA LYS 51 28.357 3.671 -7.078 383 HB2 LYS 51 2HB LYS 51 26.427 5.162 -5.994 384 HB3 LYS 51 1HB LYS 51 27.720 6.353 -5.957 385 HG2 LYS 51 2HG LYS 51 26.815 6.814 -7.992 386 HG3 LYS 51 1HG LYS 51 28.020 5.615 -8.464 387 HD2 LYS 51 2HD LYS 51 26.053 4.955 -9.563 388 HD3 LYS 51 1HD LYS 51 26.168 3.884 -8.167 389 HE2 LYS 51 2HE LYS 51 24.498 5.062 -6.996 390 HE3 LYS 51 1HE LYS 51 24.582 6.435 -8.101 391 HZ1 LYS 51 3HZ LYS 51 22.714 4.573 -8.259 392 HZ2 LYS 51 1HZ LYS 51 23.869 3.868 -9.272 393 HZ3 LYS 51 2HZ LYS 51 23.277 5.416 -9.612 394 H GLU 52 H GLU 52 29.954 4.987 -8.112 395 HA GLU 52 HA GLU 52 32.211 5.575 -6.338 396 HB2 GLU 52 2HB GLU 52 32.241 5.399 -9.352 397 HB3 GLU 52 1HB GLU 52 33.622 5.365 -8.263 398 HG2 GLU 52 2HG GLU 52 31.667 3.260 -7.747 399 HG3 GLU 52 1HG GLU 52 32.398 3.183 -9.349 400 H ASN 53 H ASN 53 32.909 7.588 -5.992 401 HA ASN 53 HA ASN 53 31.914 9.729 -7.752 402 HB2 ASN 53 2HB ASN 53 31.011 9.437 -5.249 403 HB3 ASN 53 1HB ASN 53 32.471 10.357 -4.897 404 HD21 ASN 53 1HD2 ASN 53 29.890 10.412 -7.337 405 HD22 ASN 53 2HD2 ASN 53 29.596 12.112 -7.229 406 HA PRO 54 HA PRO 54 36.296 10.534 -8.095 407 HB2 PRO 54 2HB PRO 54 36.150 12.699 -9.695 408 HB3 PRO 54 1HB PRO 54 35.831 11.064 -10.291 409 HG2 PRO 54 2HG PRO 54 33.891 13.198 -9.484 410 HG3 PRO 54 1HG PRO 54 33.841 12.114 -10.886 411 HD2 PRO 54 2HD PRO 54 32.398 11.684 -8.618 412 HD3 PRO 54 1HD PRO 54 32.975 10.373 -9.664 413 H ASN 55 H ASN 55 33.930 12.900 -7.047 414 HA ASN 55 HA ASN 55 35.629 14.978 -6.284 415 HB2 ASN 55 2HB ASN 55 32.935 14.081 -5.286 416 HB3 ASN 55 1HB ASN 55 33.755 15.472 -4.586 417 HD21 ASN 55 1HD2 ASN 55 32.413 14.141 -7.538 418 HD22 ASN 55 2HD2 ASN 55 32.149 15.656 -8.325 419 H LEU 56 H LEU 56 34.746 12.008 -4.630 420 HA LEU 56 HA LEU 56 35.888 12.714 -2.119 421 HB2 LEU 56 2HB LEU 56 35.473 9.921 -3.169 422 HB3 LEU 56 1HB LEU 56 35.544 10.436 -1.495 423 HG LEU 56 HG LEU 56 33.377 11.461 -3.293 424 HD11 LEU 56 1HD1 LEU 56 33.397 9.000 -3.488 425 HD12 LEU 56 2HD1 LEU 56 31.961 9.612 -2.669 426 HD13 LEU 56 3HD1 LEU 56 33.267 8.885 -1.733 427 HD21 LEU 56 3HD2 LEU 56 33.874 12.389 -0.982 428 HD22 LEU 56 1HD2 LEU 56 33.308 10.842 -0.353 429 HD23 LEU 56 2HD2 LEU 56 32.218 11.866 -1.286 430 HA PRO 57 HA PRO 57 40.123 11.727 -2.930 431 HB2 PRO 57 2HB PRO 57 41.052 11.302 -0.467 432 HB3 PRO 57 1HB PRO 57 40.411 12.881 -0.937 433 HG2 PRO 57 2HG PRO 57 39.132 10.721 0.679 434 HG3 PRO 57 1HG PRO 57 39.059 12.477 0.896 435 HD2 PRO 57 2HD PRO 57 37.109 10.914 -0.338 436 HD3 PRO 57 1HD PRO 57 37.277 12.672 -0.504 437 H ALA 58 H ALA 58 38.346 9.430 -3.311 438 HA ALA 58 HA ALA 58 38.485 7.183 -3.627 439 HB1 ALA 58 1HB ALA 58 40.946 8.091 -4.190 440 HB2 ALA 58 2HB ALA 58 40.497 6.388 -4.283 441 HB3 ALA 58 3HB ALA 58 41.330 7.004 -2.855 442 H GLY 59 H GLY 59 38.284 5.274 -2.471 443 HA2 GLY 59 2HA GLY 59 37.928 3.983 -0.607 444 HA3 GLY 59 1HA GLY 59 39.414 4.690 0.010 445 H GLN 60 H GLN 60 36.652 6.668 -0.768 446 HA GLN 60 HA GLN 60 36.338 7.241 2.098 447 HB2 GLN 60 2HB GLN 60 36.832 8.989 0.087 448 HB3 GLN 60 1HB GLN 60 35.074 9.038 0.122 449 HG2 GLN 60 2HG GLN 60 36.337 9.225 2.754 450 HG3 GLN 60 1HG GLN 60 36.716 10.555 1.662 451 HE21 GLN 60 1HE2 GLN 60 35.148 12.006 1.119 452 HE22 GLN 60 2HE2 GLN 60 33.577 12.027 1.839 453 H GLU 61 H GLU 61 34.059 7.980 2.691 454 HA GLU 61 HA GLU 61 31.914 6.779 1.175 455 HB2 GLU 61 2HB GLU 61 33.081 5.020 2.759 456 HB3 GLU 61 1HB GLU 61 32.127 5.823 3.998 457 HG2 GLU 61 2HG GLU 61 30.211 4.909 3.296 458 HG3 GLU 61 1HG GLU 61 30.621 5.110 1.593 459 H ASN 62 H ASN 62 30.058 7.869 1.467 460 HA ASN 62 HA ASN 62 29.746 9.505 3.883 461 HB2 ASN 62 2HB ASN 62 28.798 11.329 2.392 462 HB3 ASN 62 1HB ASN 62 30.541 11.095 2.305 463 HD21 ASN 62 1HD2 ASN 62 27.679 11.297 0.569 464 HD22 ASN 62 2HD2 ASN 62 28.272 10.764 -0.964 465 H ILE 63 H ILE 63 27.837 9.194 4.809 466 HA ILE 63 HA ILE 63 25.795 7.677 3.417 467 HB ILE 63 HB ILE 63 25.735 8.752 6.239 468 HG12 ILE 63 2HG1 ILE 63 27.675 7.245 5.802 469 HG13 ILE 63 1HG1 ILE 63 26.528 6.583 6.963 470 HG21 ILE 63 1HG2 ILE 63 24.208 6.416 5.124 471 HG22 ILE 63 2HG2 ILE 63 23.570 8.061 5.106 472 HG23 ILE 63 3HG2 ILE 63 23.947 7.277 6.641 473 HD11 ILE 63 3HD1 ILE 63 25.665 5.628 4.505 474 HD12 ILE 63 1HD1 ILE 63 26.533 4.734 5.752 475 HD13 ILE 63 2HD1 ILE 63 27.423 5.515 4.445 476 H ILE 64 H ILE 64 24.910 9.067 1.905 477 HA ILE 64 HA ILE 64 24.037 11.711 2.565 478 HB ILE 64 HB ILE 64 23.148 10.072 0.194 479 HG12 ILE 64 2HG1 ILE 64 25.620 11.797 0.481 480 HG13 ILE 64 1HG1 ILE 64 25.599 10.043 0.321 481 HG21 ILE 64 1HG2 ILE 64 22.829 12.224 -0.873 482 HG22 ILE 64 2HG2 ILE 64 23.432 13.051 0.564 483 HG23 ILE 64 3HG2 ILE 64 21.915 12.154 0.635 484 HD11 ILE 64 3HD1 ILE 64 26.131 11.447 -1.745 485 HD12 ILE 64 1HD1 ILE 64 24.405 11.806 -1.782 486 HD13 ILE 64 2HD1 ILE 64 24.961 10.137 -1.913 487 H THR 65 H THR 65 22.576 8.539 2.496 488 HA THR 65 HA THR 65 20.358 9.422 4.066 489 HB THR 65 HB THR 65 19.794 8.479 1.247 490 HG1 THR 65 1HG THR 65 19.550 11.007 2.491 491 HG21 THR 65 3HG2 THR 65 17.450 9.399 2.035 492 HG22 THR 65 1HG2 THR 65 18.056 8.881 3.609 493 HG23 THR 65 2HG2 THR 65 17.929 7.721 2.285 494 H ALA 66 H ALA 66 20.972 7.830 5.495 495 HA ALA 66 HA ALA 66 21.727 5.239 4.996 496 HB1 ALA 66 1HB ALA 66 20.293 6.500 7.297 497 HB2 ALA 66 2HB ALA 66 21.956 5.920 7.197 498 HB3 ALA 66 3HB ALA 66 20.623 4.767 7.285 499 H GLY 67 H GLY 67 20.708 3.259 4.795 500 HA2 GLY 67 2HA GLY 67 18.103 3.341 3.551 501 HA3 GLY 67 1HA GLY 67 19.122 1.923 3.747 502 H VAL 68 H VAL 68 16.186 2.698 4.358 503 HA VAL 68 HA VAL 68 16.115 1.290 6.920 504 HB VAL 68 HB VAL 68 14.447 3.758 6.430 505 HG11 VAL 68 1HG1 VAL 68 14.383 3.386 9.074 506 HG12 VAL 68 2HG1 VAL 68 14.603 1.713 8.563 507 HG13 VAL 68 3HG1 VAL 68 13.222 2.641 7.977 508 HG21 VAL 68 3HG2 VAL 68 16.518 4.715 6.729 509 HG22 VAL 68 1HG2 VAL 68 17.094 3.405 7.760 510 HG23 VAL 68 2HG2 VAL 68 15.957 4.593 8.396 511 H LYS 69 H LYS 69 14.820 -0.399 6.726 512 HA LYS 69 HA LYS 69 13.230 -0.918 4.487 513 HB2 LYS 69 2HB LYS 69 12.922 -2.140 7.233 514 HB3 LYS 69 1HB LYS 69 12.396 -2.837 5.707 515 HG2 LYS 69 2HG LYS 69 14.750 -2.966 4.985 516 HG3 LYS 69 1HG LYS 69 15.241 -2.346 6.562 517 HD2 LYS 69 2HD LYS 69 13.491 -4.765 6.384 518 HD3 LYS 69 1HD LYS 69 15.231 -4.914 6.126 519 HE2 LYS 69 2HE LYS 69 15.305 -3.494 8.363 520 HE3 LYS 69 1HE LYS 69 13.718 -4.230 8.593 521 HZ1 LYS 69 3HZ LYS 69 14.697 -6.399 8.398 522 HZ2 LYS 69 1HZ LYS 69 15.538 -5.529 9.580 523 HZ3 LYS 69 2HZ LYS 69 16.216 -5.743 8.045 524 H GLY 70 H GLY 70 11.465 0.139 3.889 525 HA2 GLY 70 2HA GLY 70 9.832 1.590 5.757 526 HA3 GLY 70 1HA GLY 70 9.550 1.425 4.027 527 H GLU 71 H GLU 71 7.366 0.934 4.131 528 HA GLU 71 HA GLU 71 6.678 -1.757 4.469 529 HB2 GLU 71 2HB GLU 71 6.393 -0.030 6.853 530 HB3 GLU 71 1HB GLU 71 4.971 -0.975 6.440 531 HG2 GLU 71 2HG GLU 71 5.862 -2.811 7.290 532 HG3 GLU 71 1HG GLU 71 7.316 -2.622 6.310 533 H ARG 72 H ARG 72 5.362 -1.734 2.762 534 HA ARG 72 HA ARG 72 3.543 0.520 2.471 535 HB2 ARG 72 2HB ARG 72 3.712 0.315 0.249 536 HB3 ARG 72 1HB ARG 72 5.109 -0.674 0.584 537 HG2 ARG 72 2HG ARG 72 3.814 -2.679 0.323 538 HG3 ARG 72 1HG ARG 72 2.326 -1.747 0.194 539 HD2 ARG 72 2HD ARG 72 3.259 -2.573 -1.987 540 HD3 ARG 72 1HD ARG 72 2.963 -0.841 -1.902 541 HE ARG 72 HE ARG 72 5.559 -1.022 -1.215 542 HH11 ARG 72 1HH1 ARG 72 3.736 -2.333 -3.887 543 HH12 ARG 72 2HH1 ARG 72 5.083 -2.318 -4.975 544 HH21 ARG 72 1HH2 ARG 72 7.329 -0.999 -2.645 545 HH22 ARG 72 2HH2 ARG 72 7.123 -1.561 -4.270 546 H THR 73 H THR 73 1.424 0.348 2.437 547 HA THR 73 HA THR 73 0.303 -1.940 3.746 548 HB THR 73 HB THR 73 -0.966 0.545 2.597 549 HG1 THR 73 1HG THR 73 -0.202 1.255 4.422 550 HG21 THR 73 3HG2 THR 73 -2.445 -1.101 4.529 551 HG22 THR 73 1HG2 THR 73 -2.341 -1.709 2.874 552 HG23 THR 73 2HG2 THR 73 -3.027 -0.110 3.188 553 H HIS 74 H HIS 74 -0.843 -3.566 2.887 554 HA HIS 74 HA HIS 74 -1.151 -3.574 -0.024 555 HB2 HIS 74 2HB HIS 74 -0.181 -5.635 1.872 556 HB3 HIS 74 1HB HIS 74 -1.055 -6.169 0.430 557 HD1 HIS 74 1HD HIS 74 0.114 -5.960 -1.761 558 HD2 HIS 74 2HD HIS 74 2.118 -4.136 1.373 559 HE1 HIS 74 1HE HIS 74 2.320 -5.246 -2.730 560 HE2 HIS 74 2HE HIS 74 3.494 -4.066 -0.841 561 H TYR 75 H TYR 75 -3.058 -3.633 -0.790 562 HA TYR 75 HA TYR 75 -5.276 -4.152 0.981 563 HB2 TYR 75 2HB TYR 75 -5.810 -3.427 -1.834 564 HB3 TYR 75 1HB TYR 75 -6.547 -2.825 -0.359 565 HD1 TYR 75 2HD TYR 75 -3.340 -2.211 0.526 566 HD2 TYR 75 1HD TYR 75 -6.076 -1.003 -2.504 567 HE1 TYR 75 2HE TYR 75 -2.067 -0.127 0.251 568 HE2 TYR 75 1HE TYR 75 -4.846 1.102 -2.762 569 HH TYR 75 HH TYR 75 -3.288 2.525 -1.140 570 H ILE 76 H ILE 76 -5.835 -6.181 1.221 571 HA ILE 76 HA ILE 76 -5.672 -8.035 -1.032 572 HB ILE 76 HB ILE 76 -6.379 -8.655 1.835 573 HG12 ILE 76 2HG1 ILE 76 -3.850 -9.572 1.562 574 HG13 ILE 76 1HG1 ILE 76 -3.772 -8.150 0.527 575 HG21 ILE 76 1HG2 ILE 76 -7.059 -10.408 0.374 576 HG22 ILE 76 2HG2 ILE 76 -5.575 -10.933 1.170 577 HG23 ILE 76 3HG2 ILE 76 -5.526 -10.357 -0.495 578 HD11 ILE 76 3HD1 ILE 76 -4.995 -7.148 2.734 579 HD12 ILE 76 1HD1 ILE 76 -3.262 -7.083 2.417 580 HD13 ILE 76 2HD1 ILE 76 -3.925 -8.360 3.436 581 H SER 77 H SER 77 -7.473 -9.533 -1.409 582 HA SER 77 HA SER 77 -10.069 -8.220 -0.951 583 HB2 SER 77 2HB SER 77 -8.870 -9.525 -3.320 584 HB3 SER 77 1HB SER 77 -10.570 -9.892 -3.029 585 HG SER 77 HG SER 77 -9.569 -7.248 -3.031 586 H VAL 78 H VAL 78 -11.443 -9.253 0.337 587 HA VAL 78 HA VAL 78 -10.896 -12.012 1.084 588 HB VAL 78 HB VAL 78 -12.626 -11.697 2.802 589 HG11 VAL 78 1HG1 VAL 78 -10.116 -10.747 2.831 590 HG12 VAL 78 2HG1 VAL 78 -11.212 -10.631 4.208 591 HG13 VAL 78 3HG1 VAL 78 -11.003 -9.252 3.128 592 HG21 VAL 78 3HG2 VAL 78 -13.134 -9.014 2.929 593 HG22 VAL 78 1HG2 VAL 78 -14.243 -10.230 2.295 594 HG23 VAL 78 2HG2 VAL 78 -13.207 -9.322 1.195 595 H LEU 79 H LEU 79 -11.694 -13.529 -0.212 596 HA LEU 79 HA LEU 79 -14.380 -13.143 -1.353 597 HB2 LEU 79 2HB LEU 79 -11.919 -14.495 -2.303 598 HB3 LEU 79 1HB LEU 79 -13.440 -15.274 -2.700 599 HG LEU 79 HG LEU 79 -13.228 -12.370 -3.279 600 HD11 LEU 79 1HD1 LEU 79 -12.268 -13.302 -5.589 601 HD12 LEU 79 2HD1 LEU 79 -11.493 -14.439 -4.485 602 HD13 LEU 79 3HD1 LEU 79 -11.232 -12.705 -4.293 603 HD21 LEU 79 3HD2 LEU 79 -15.116 -14.229 -3.740 604 HD22 LEU 79 1HD2 LEU 79 -14.199 -14.344 -5.242 605 HD23 LEU 79 2HD2 LEU 79 -14.888 -12.797 -4.746 606 H THR 80 H THR 80 -15.989 -14.579 -0.958 607 HA THR 80 HA THR 80 -15.588 -16.425 1.236 608 HB THR 80 HB THR 80 -18.197 -16.331 -0.168 609 HG1 THR 80 1HG THR 80 -17.280 -14.123 1.349 610 HG21 THR 80 3HG2 THR 80 -19.071 -16.772 1.839 611 HG22 THR 80 1HG2 THR 80 -18.007 -15.637 2.668 612 HG23 THR 80 2HG2 THR 80 -17.423 -17.249 2.255 613 H GLU 81 H GLU 81 -15.146 -18.509 1.010 614 HA GLU 81 HA GLU 81 -16.000 -19.884 -1.445 615 HB2 GLU 81 2HB GLU 81 -13.271 -19.666 -0.285 616 HB3 GLU 81 1HB GLU 81 -13.737 -21.225 -0.950 617 HG2 GLU 81 2HG GLU 81 -12.841 -20.298 -2.808 618 HG3 GLU 81 1HG GLU 81 -14.497 -19.717 -2.987 619 H ASN 82 H ASN 82 -17.475 -21.301 -0.797 620 HA ASN 82 HA ASN 82 -18.627 -22.792 0.501 621 HB2 ASN 82 2HB ASN 82 -17.384 -24.825 0.993 622 HB3 ASN 82 1HB ASN 82 -16.914 -24.202 -0.586 623 HD21 ASN 82 1HD2 ASN 82 -14.843 -23.631 -0.946 624 HD22 ASN 82 2HD2 ASN 82 -13.578 -23.777 0.222 625 H GLY 83 H GLY 83 -17.789 -20.454 1.950 626 HA2 GLY 83 2HA GLY 83 -18.183 -19.841 4.168 627 HA3 GLY 83 1HA GLY 83 -18.062 -21.531 4.634 628 H LYS 84 H LYS 84 -15.768 -19.457 2.888 629 HA LYS 84 HA LYS 84 -13.969 -19.452 5.172 630 HB2 LYS 84 2HB LYS 84 -13.361 -20.841 2.571 631 HB3 LYS 84 1HB LYS 84 -12.083 -20.248 3.623 632 HG2 LYS 84 2HG LYS 84 -12.789 -21.692 5.400 633 HG3 LYS 84 1HG LYS 84 -14.214 -22.189 4.484 634 HD2 LYS 84 2HD LYS 84 -12.932 -23.401 2.935 635 HD3 LYS 84 1HD LYS 84 -11.434 -22.608 3.427 636 HE2 LYS 84 2HE LYS 84 -11.568 -24.916 4.253 637 HE3 LYS 84 1HE LYS 84 -11.508 -23.744 5.570 638 HZ1 LYS 84 3HZ LYS 84 -13.765 -24.049 6.032 639 HZ2 LYS 84 1HZ LYS 84 -13.184 -25.615 5.761 640 HZ3 LYS 84 2HZ LYS 84 -14.071 -24.821 4.559 641 H THR 85 H THR 85 -12.167 -17.986 4.911 642 HA THR 85 HA THR 85 -12.700 -15.920 2.876 643 HB THR 85 HB THR 85 -11.161 -15.223 5.316 644 HG1 THR 85 1HG THR 85 -13.963 -15.648 5.351 645 HG21 THR 85 3HG2 THR 85 -13.295 -13.859 3.703 646 HG22 THR 85 1HG2 THR 85 -11.584 -13.441 3.818 647 HG23 THR 85 2HG2 THR 85 -12.645 -13.213 5.209 648 H THR 86 H THR 86 -11.220 -15.863 1.330 649 HA THR 86 HA THR 86 -8.548 -16.918 1.836 650 HB THR 86 HB THR 86 -9.282 -15.869 -0.842 651 HG1 THR 86 1HG THR 86 -10.500 -17.776 -1.253 652 HG21 THR 86 3HG2 THR 86 -7.894 -18.322 0.180 653 HG22 THR 86 1HG2 THR 86 -7.221 -16.992 -0.761 654 HG23 THR 86 2HG2 THR 86 -8.355 -18.119 -1.510 655 H GLU 87 H GLU 87 -6.645 -15.750 1.345 656 HA GLU 87 HA GLU 87 -7.000 -12.825 1.283 657 HB2 GLU 87 2HB GLU 87 -4.961 -12.639 2.654 658 HB3 GLU 87 1HB GLU 87 -6.235 -13.522 3.484 659 HG2 GLU 87 2HG GLU 87 -5.008 -15.608 2.469 660 HG3 GLU 87 1HG GLU 87 -3.642 -14.494 2.409 661 H THR 88 H THR 88 -6.801 -12.877 -1.009 662 HA THR 88 HA THR 88 -4.118 -13.572 -2.001 663 HB THR 88 HB THR 88 -6.704 -13.203 -3.526 664 HG1 THR 88 1HG THR 88 -5.214 -15.550 -2.973 665 HG21 THR 88 3HG2 THR 88 -3.919 -13.638 -4.426 666 HG22 THR 88 1HG2 THR 88 -5.243 -12.767 -5.200 667 HG23 THR 88 2HG2 THR 88 -5.201 -14.529 -5.248 668 H VAL 89 H VAL 89 -2.773 -11.966 -2.465 669 HA VAL 89 HA VAL 89 -3.249 -9.288 -2.064 670 HB VAL 89 HB VAL 89 -1.247 -8.838 -3.456 671 HG11 VAL 89 1HG1 VAL 89 -1.144 -9.629 -1.069 672 HG12 VAL 89 2HG1 VAL 89 0.307 -9.927 -2.028 673 HG13 VAL 89 3HG1 VAL 89 -0.819 -11.244 -1.699 674 HG21 VAL 89 3HG2 VAL 89 -1.110 -10.234 -5.234 675 HG22 VAL 89 1HG2 VAL 89 -1.817 -11.594 -4.361 676 HG23 VAL 89 2HG2 VAL 89 -0.121 -11.175 -4.118 677 H LEU 90 H LEU 90 -4.220 -7.693 -3.152 678 HA LEU 90 HA LEU 90 -5.079 -8.244 -5.916 679 HB2 LEU 90 2HB LEU 90 -6.542 -7.396 -3.602 680 HB3 LEU 90 1HB LEU 90 -6.623 -6.141 -4.824 681 HG LEU 90 HG LEU 90 -8.511 -7.750 -4.918 682 HD11 LEU 90 1HD1 LEU 90 -7.461 -6.482 -6.917 683 HD12 LEU 90 2HD1 LEU 90 -8.628 -7.768 -7.227 684 HD13 LEU 90 3HD1 LEU 90 -6.903 -8.079 -7.416 685 HD21 LEU 90 3HD2 LEU 90 -6.756 -9.803 -6.136 686 HD22 LEU 90 1HD2 LEU 90 -8.266 -9.984 -5.243 687 HD23 LEU 90 2HD2 LEU 90 -6.760 -9.679 -4.377 688 H ASP 91 H ASP 91 -4.619 -5.381 -3.826 689 HA ASP 91 HA ASP 91 -2.770 -4.241 -5.752 690 HB2 ASP 91 2HB ASP 91 -5.343 -3.681 -6.240 691 HB3 ASP 91 1HB ASP 91 -5.026 -2.436 -5.033 692 H SER 92 H SER 92 -1.399 -2.747 -4.867 693 HA SER 92 HA SER 92 -1.964 -1.708 -2.200 694 HB2 SER 92 2HB SER 92 -0.090 -2.471 -1.150 695 HB3 SER 92 1HB SER 92 -0.608 -3.887 -2.074 696 HG SER 92 HG SER 92 0.959 -3.392 -3.627 697 H GLN 93 H GLN 93 -0.368 -0.152 -1.496 698 HA GLN 93 HA GLN 93 0.889 1.327 -3.704 699 HB2 GLN 93 2HB GLN 93 -0.927 2.299 -1.513 700 HB3 GLN 93 1HB GLN 93 0.244 3.385 -2.257 701 HG2 GLN 93 2HG GLN 93 -0.792 2.779 -4.479 702 HG3 GLN 93 1HG GLN 93 -2.080 1.999 -3.562 703 HE21 GLN 93 1HE2 GLN 93 -0.691 4.983 -4.575 704 HE22 GLN 93 2HE2 GLN 93 -1.931 6.019 -3.963 705 H VAL 94 H VAL 94 2.578 2.900 -2.785 706 HA VAL 94 HA VAL 94 4.080 1.460 -0.764 707 HB VAL 94 HB VAL 94 5.313 2.324 -2.699 708 HG11 VAL 94 1HG1 VAL 94 5.252 5.135 -2.004 709 HG12 VAL 94 2HG1 VAL 94 3.657 4.532 -2.458 710 HG13 VAL 94 3HG1 VAL 94 5.019 4.353 -3.566 711 HG21 VAL 94 3HG2 VAL 94 7.153 2.903 -1.511 712 HG22 VAL 94 1HG2 VAL 94 6.136 2.416 -0.156 713 HG23 VAL 94 2HG2 VAL 94 6.296 4.122 -0.569 714 H THR 95 H THR 95 3.334 1.810 1.241 715 HA THR 95 HA THR 95 2.764 4.597 1.982 716 HB THR 95 HB THR 95 0.991 3.854 3.388 717 HG1 THR 95 1HG THR 95 1.831 2.044 4.323 718 HG21 THR 95 3HG2 THR 95 -0.356 3.632 1.643 719 HG22 THR 95 1HG2 THR 95 0.012 1.900 1.604 720 HG23 THR 95 2HG2 THR 95 0.963 3.038 0.638 721 H LYS 96 H LYS 96 4.959 4.741 2.502 722 HA LYS 96 HA LYS 96 5.706 4.991 5.029 723 HB2 LYS 96 2HB LYS 96 5.840 2.123 4.323 724 HB3 LYS 96 1HB LYS 96 7.240 2.766 5.158 725 HG2 LYS 96 2HG LYS 96 4.652 3.495 6.341 726 HG3 LYS 96 1HG LYS 96 5.047 1.774 6.389 727 HD2 LYS 96 2HD LYS 96 5.834 2.898 8.402 728 HD3 LYS 96 1HD LYS 96 7.195 2.303 7.447 729 HE2 LYS 96 2HE LYS 96 7.898 4.398 6.888 730 HE3 LYS 96 1HE LYS 96 6.272 5.077 6.942 731 HZ1 LYS 96 3HZ LYS 96 7.465 4.173 9.457 732 HZ2 LYS 96 1HZ LYS 96 6.400 5.456 9.166 733 HZ3 LYS 96 2HZ LYS 96 8.041 5.615 8.786 734 H GLU 97 H GLU 97 6.678 3.782 1.914 735 HA GLU 97 HA GLU 97 8.435 4.251 0.558 736 HB2 GLU 97 2HB GLU 97 7.790 6.612 1.343 737 HB3 GLU 97 1HB GLU 97 9.174 6.499 2.420 738 HG2 GLU 97 2HG GLU 97 9.819 7.672 0.440 739 HG3 GLU 97 1HG GLU 97 10.621 6.102 0.459 740 H VAL 98 H VAL 98 9.792 2.550 0.770 741 HA VAL 98 HA VAL 98 11.360 2.089 3.109 742 HB VAL 98 HB VAL 98 10.746 0.197 1.728 743 HG11 VAL 98 1HG1 VAL 98 12.455 0.398 -0.503 744 HG12 VAL 98 2HG1 VAL 98 11.546 1.908 -0.416 745 HG13 VAL 98 3HG1 VAL 98 10.693 0.366 -0.483 746 HG21 VAL 98 3HG2 VAL 98 12.634 -0.908 2.167 747 HG22 VAL 98 1HG2 VAL 98 13.236 0.637 2.764 748 HG23 VAL 98 2HG2 VAL 98 13.596 0.128 1.115 749 H ILE 99 H ILE 99 12.856 3.500 3.661 750 HA ILE 99 HA ILE 99 14.245 5.196 1.888 751 HB ILE 99 HB ILE 99 15.155 4.370 4.646 752 HG12 ILE 99 2HG1 ILE 99 12.854 5.137 4.774 753 HG13 ILE 99 1HG1 ILE 99 13.919 6.378 5.427 754 HG21 ILE 99 1HG2 ILE 99 15.651 6.925 3.129 755 HG22 ILE 99 2HG2 ILE 99 16.792 5.585 3.227 756 HG23 ILE 99 3HG2 ILE 99 16.333 6.458 4.687 757 HD11 ILE 99 3HD1 ILE 99 13.685 7.035 2.752 758 HD12 ILE 99 1HD1 ILE 99 12.858 7.805 4.106 759 HD13 ILE 99 2HD1 ILE 99 12.068 6.502 3.216 760 H ASN 100 H ASN 100 16.010 4.915 0.683 761 HA ASN 100 HA ASN 100 17.402 2.344 0.859 762 HB2 ASN 100 2HB ASN 100 17.134 4.406 -1.316 763 HB3 ASN 100 1HB ASN 100 18.385 3.170 -1.384 764 HD21 ASN 100 1HD2 ASN 100 17.837 1.547 -2.626 765 HD22 ASN 100 2HD2 ASN 100 16.253 0.883 -2.807 766 H GLN 101 H GLN 101 19.503 2.160 1.383 767 HA GLN 101 HA GLN 101 20.807 4.318 2.684 768 HB2 GLN 101 2HB GLN 101 21.048 1.761 3.058 769 HB3 GLN 101 1HB GLN 101 22.224 1.841 1.755 770 HG2 GLN 101 2HG GLN 101 22.573 3.814 3.909 771 HG3 GLN 101 1HG GLN 101 22.832 2.128 4.356 772 HE21 GLN 101 1HE2 GLN 101 24.990 2.069 4.550 773 HE22 GLN 101 2HE2 GLN 101 26.105 2.433 3.282 774 H VAL 102 H VAL 102 21.292 6.034 1.409 775 HA VAL 102 HA VAL 102 22.590 5.630 -1.161 776 HB VAL 102 HB VAL 102 21.956 8.249 0.197 777 HG11 VAL 102 1HG1 VAL 102 22.552 9.289 -1.720 778 HG12 VAL 102 2HG1 VAL 102 21.999 7.963 -2.742 779 HG13 VAL 102 3HG1 VAL 102 23.556 7.854 -1.920 780 HG21 VAL 102 3HG2 VAL 102 19.923 6.902 -0.047 781 HG22 VAL 102 1HG2 VAL 102 20.269 6.696 -1.764 782 HG23 VAL 102 2HG2 VAL 102 19.908 8.299 -1.123 783 H VAL 103 H VAL 103 24.716 5.417 -1.297 784 HA VAL 103 HA VAL 103 26.437 7.100 0.361 785 HB VAL 103 HB VAL 103 27.971 5.099 0.705 786 HG11 VAL 103 1HG1 VAL 103 26.597 4.265 2.660 787 HG12 VAL 103 2HG1 VAL 103 25.315 5.338 2.098 788 HG13 VAL 103 3HG1 VAL 103 26.872 6.006 2.590 789 HG21 VAL 103 3HG2 VAL 103 26.697 2.908 0.827 790 HG22 VAL 103 1HG2 VAL 103 27.092 3.495 -0.789 791 HG23 VAL 103 2HG2 VAL 103 25.458 3.687 -0.155 792 H GLU 104 H GLU 104 28.246 7.794 -0.659 793 HA GLU 104 HA GLU 104 28.755 6.713 -3.354 794 HB2 GLU 104 2HB GLU 104 29.268 9.546 -2.437 795 HB3 GLU 104 1HB GLU 104 29.407 8.919 -4.075 796 HG2 GLU 104 2HG GLU 104 26.896 8.358 -3.814 797 HG3 GLU 104 1HG GLU 104 26.952 9.510 -2.482 798 H VAL 105 H VAL 105 30.561 5.550 -3.338 799 HA VAL 105 HA VAL 105 32.683 6.137 -1.440 800 HB VAL 105 HB VAL 105 33.750 4.086 -2.327 801 HG11 VAL 105 1HG1 VAL 105 30.960 4.057 -1.264 802 HG12 VAL 105 2HG1 VAL 105 32.471 3.622 -0.466 803 HG13 VAL 105 3HG1 VAL 105 31.760 2.538 -1.662 804 HG21 VAL 105 3HG2 VAL 105 31.289 3.409 -3.850 805 HG22 VAL 105 1HG2 VAL 105 32.951 2.870 -4.086 806 HG23 VAL 105 2HG2 VAL 105 32.465 4.484 -4.607 807 H GLY 106 H GLY 106 34.806 6.652 -1.995 808 HA2 GLY 106 2HA GLY 106 35.095 8.316 -4.293 809 HA3 GLY 106 1HA GLY 106 36.367 7.883 -3.160 810 H ALA 107 H ALA 107 36.318 8.051 -6.133 811 HA ALA 107 HA ALA 107 37.878 5.723 -6.645 812 HB1 ALA 107 1HB ALA 107 35.567 5.767 -8.493 813 HB2 ALA 107 2HB ALA 107 35.279 5.139 -6.870 814 HB3 ALA 107 3HB ALA 107 36.517 4.407 -7.892 815 HA PRO 108 HA PRO 108 38.680 9.474 -9.286 816 HB2 PRO 108 2HB PRO 108 41.326 9.643 -8.737 817 HB3 PRO 108 1HB PRO 108 40.091 10.386 -7.714 818 HG2 PRO 108 2HG PRO 108 41.550 7.797 -7.345 819 HG3 PRO 108 1HG PRO 108 41.170 9.049 -6.146 820 HD2 PRO 108 2HD PRO 108 39.725 6.768 -6.389 821 HD3 PRO 108 1HD PRO 108 39.007 8.306 -5.871 822 H VAL 109 H VAL 109 39.239 9.296 -11.374 823 HA VAL 109 HA VAL 109 40.115 8.502 -13.323 824 HB VAL 109 HB VAL 109 41.997 6.828 -11.661 825 HG11 VAL 109 1HG1 VAL 109 42.356 7.976 -14.423 826 HG12 VAL 109 2HG1 VAL 109 41.790 6.335 -14.103 827 HG13 VAL 109 3HG1 VAL 109 43.405 6.828 -13.590 828 HG21 VAL 109 3HG2 VAL 109 42.612 8.846 -10.830 829 HG22 VAL 109 1HG2 VAL 109 41.945 9.738 -12.197 830 HG23 VAL 109 2HG2 VAL 109 43.504 8.928 -12.349 831 H THR 110 H THR 110 40.438 5.717 -11.114 832 HA THR 110 HA THR 110 39.585 3.610 -11.190 833 HB THR 110 HB THR 110 37.357 4.561 -12.956 834 HG1 THR 110 1HG THR 110 37.799 5.258 -10.253 835 HG21 THR 110 3HG2 THR 110 37.164 2.286 -12.304 836 HG22 THR 110 1HG2 THR 110 36.001 3.216 -11.360 837 HG23 THR 110 2HG2 THR 110 37.509 2.679 -10.619 838 H HIS 111 H HIS 111 41.418 3.003 -12.494 839 HA HIS 111 HA HIS 111 41.242 2.959 -15.346 840 HB2 HIS 111 2HB HIS 111 43.316 2.806 -13.638 841 HB3 HIS 111 1HB HIS 111 43.093 1.090 -13.969 842 HD1 HIS 111 1HD HIS 111 45.181 3.601 -15.044 843 HD2 HIS 111 2HD HIS 111 42.708 0.975 -17.107 844 HE1 HIS 111 1HE HIS 111 46.100 3.510 -17.383 845 HE2 HIS 111 2HE HIS 111 44.638 1.849 -18.588 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -44.776 -49.389 -33.438 2 H2 MET 1 2HT MET 1 -43.813 -47.970 -33.344 3 H3 MET 1 3HT MET 1 -44.624 -48.553 -31.949 4 HA MET 1 HA MET 1 -43.258 -50.369 -31.750 5 HB2 MET 1 2HB MET 1 -41.621 -50.954 -33.515 6 HB3 MET 1 1HB MET 1 -43.284 -51.034 -34.085 7 HG2 MET 1 2HG MET 1 -41.718 -48.534 -34.495 8 HG3 MET 1 1HG MET 1 -41.425 -49.923 -35.538 9 HE1 MET 1 2HE MET 1 -42.819 -50.883 -37.120 10 HE2 MET 1 3HE MET 1 -44.313 -50.230 -37.793 11 HE3 MET 1 1HE MET 1 -44.360 -51.200 -36.320 12 H GLY 2 H GLY 2 -43.151 -47.656 -30.927 13 HA2 GLY 2 2HA GLY 2 -40.918 -47.310 -29.572 14 HA3 GLY 2 1HA GLY 2 -40.338 -46.889 -31.177 15 H SER 3 H SER 3 -40.987 -44.963 -32.130 16 HA SER 3 HA SER 3 -41.598 -42.773 -32.192 17 HB2 SER 3 2HB SER 3 -43.744 -43.323 -30.162 18 HB3 SER 3 1HB SER 3 -43.778 -42.229 -31.544 19 HG SER 3 HG SER 3 -43.979 -43.970 -32.906 20 H SER 4 H SER 4 -39.639 -43.655 -30.249 21 HA SER 4 HA SER 4 -40.071 -41.737 -28.064 22 HB2 SER 4 2HB SER 4 -39.594 -43.913 -27.196 23 HB3 SER 4 1HB SER 4 -38.237 -44.127 -28.302 24 HG SER 4 HG SER 4 -37.019 -42.835 -27.093 25 H HIS 5 H HIS 5 -37.906 -40.771 -27.257 26 HA HIS 5 HA HIS 5 -35.862 -40.306 -29.192 27 HB2 HIS 5 2HB HIS 5 -36.279 -37.855 -29.432 28 HB3 HIS 5 1HB HIS 5 -37.496 -38.858 -30.213 29 HD1 HIS 5 1HD HIS 5 -37.570 -35.831 -28.774 30 HD2 HIS 5 2HD HIS 5 -39.502 -39.349 -27.700 31 HE1 HIS 5 1HE HIS 5 -39.556 -35.116 -27.408 32 HE2 HIS 5 2HE HIS 5 -40.758 -37.256 -26.843 33 H HIS 6 H HIS 6 -34.576 -38.188 -28.383 34 HA HIS 6 HA HIS 6 -33.995 -38.750 -25.582 35 HB2 HIS 6 2HB HIS 6 -31.980 -37.283 -26.032 36 HB3 HIS 6 1HB HIS 6 -32.062 -38.770 -26.971 37 HD1 HIS 6 1HD HIS 6 -32.523 -38.542 -29.517 38 HD2 HIS 6 2HD HIS 6 -32.155 -34.924 -27.507 39 HE1 HIS 6 1HE HIS 6 -32.262 -36.799 -31.311 40 HE2 HIS 6 2HE HIS 6 -31.953 -34.629 -30.068 41 H HIS 7 H HIS 7 -35.882 -37.698 -24.734 42 HA HIS 7 HA HIS 7 -35.830 -34.764 -24.913 43 HB2 HIS 7 2HB HIS 7 -38.140 -34.841 -24.065 44 HB3 HIS 7 1HB HIS 7 -37.962 -35.775 -25.545 45 HD1 HIS 7 1HD HIS 7 -39.209 -36.010 -22.153 46 HD2 HIS 7 2HD HIS 7 -37.767 -38.666 -25.002 47 HE1 HIS 7 1HE HIS 7 -39.978 -38.283 -21.402 48 HE2 HIS 7 2HE HIS 7 -39.020 -39.884 -23.096 49 H HIS 8 H HIS 8 -35.857 -37.472 -22.661 50 HA HIS 8 HA HIS 8 -36.041 -36.027 -20.269 51 HB2 HIS 8 2HB HIS 8 -35.083 -38.734 -21.043 52 HB3 HIS 8 1HB HIS 8 -34.591 -38.127 -19.465 53 HD1 HIS 8 1HD HIS 8 -36.738 -40.471 -20.272 54 HD2 HIS 8 2HD HIS 8 -37.496 -36.704 -18.691 55 HE1 HIS 8 1HE HIS 8 -38.982 -40.652 -19.152 56 HE2 HIS 8 2HE HIS 8 -39.458 -38.337 -18.277 57 H HIS 9 H HIS 9 -34.752 -34.198 -20.305 58 HA HIS 9 HA HIS 9 -32.025 -34.595 -19.509 59 HB2 HIS 9 2HB HIS 9 -32.291 -34.472 -22.189 60 HB3 HIS 9 1HB HIS 9 -32.184 -32.752 -21.826 61 HD1 HIS 9 1HD HIS 9 -29.971 -34.315 -23.385 62 HD2 HIS 9 2HD HIS 9 -29.894 -33.473 -19.316 63 HE1 HIS 9 1HE HIS 9 -27.545 -34.389 -22.729 64 HE2 HIS 9 2HE HIS 9 -27.531 -33.962 -20.246 65 H SER 10 H SER 10 -34.334 -32.186 -20.742 66 HA SER 10 HA SER 10 -33.394 -30.320 -18.675 67 HB2 SER 10 2HB SER 10 -35.182 -29.589 -20.989 68 HB3 SER 10 1HB SER 10 -34.156 -28.534 -20.019 69 HG SER 10 HG SER 10 -33.534 -30.063 -22.211 70 H SER 11 H SER 11 -35.057 -28.960 -17.637 71 HA SER 11 HA SER 11 -37.253 -30.613 -16.739 72 HB2 SER 11 2HB SER 11 -36.085 -29.395 -15.035 73 HB3 SER 11 1HB SER 11 -36.275 -27.875 -15.908 74 HG SER 11 HG SER 11 -38.483 -29.396 -15.001 75 H GLY 12 H GLY 12 -37.264 -27.143 -17.526 76 HA2 GLY 12 2HA GLY 12 -38.621 -26.633 -19.638 77 HA3 GLY 12 1HA GLY 12 -39.876 -27.559 -18.828 78 H LEU 13 H LEU 13 -39.440 -26.596 -16.198 79 HA LEU 13 HA LEU 13 -40.919 -24.159 -16.344 80 HB2 LEU 13 2HB LEU 13 -39.689 -25.603 -13.997 81 HB3 LEU 13 1HB LEU 13 -40.738 -24.206 -13.858 82 HG LEU 13 HG LEU 13 -41.775 -26.553 -15.361 83 HD11 LEU 13 1HD1 LEU 13 -41.265 -26.490 -12.410 84 HD12 LEU 13 2HD1 LEU 13 -40.974 -27.792 -13.565 85 HD13 LEU 13 3HD1 LEU 13 -42.623 -27.393 -13.082 86 HD21 LEU 13 3HD2 LEU 13 -43.791 -25.639 -14.921 87 HD22 LEU 13 1HD2 LEU 13 -42.834 -24.175 -14.695 88 HD23 LEU 13 2HD2 LEU 13 -43.328 -25.130 -13.297 89 H VAL 14 H VAL 14 -39.136 -23.111 -17.657 90 HA VAL 14 HA VAL 14 -36.827 -22.222 -16.181 91 HB VAL 14 HB VAL 14 -36.684 -22.693 -18.599 92 HG11 VAL 14 1HG1 VAL 14 -38.530 -20.327 -18.803 93 HG12 VAL 14 2HG1 VAL 14 -38.767 -21.954 -19.440 94 HG13 VAL 14 3HG1 VAL 14 -37.545 -20.898 -20.151 95 HG21 VAL 14 3HG2 VAL 14 -36.105 -19.795 -18.018 96 HG22 VAL 14 1HG2 VAL 14 -35.261 -20.860 -19.141 97 HG23 VAL 14 2HG2 VAL 14 -35.131 -21.131 -17.404 98 HA PRO 15 HA PRO 15 -39.294 -18.126 -16.247 99 HB2 PRO 15 2HB PRO 15 -41.956 -18.195 -16.447 100 HB3 PRO 15 1HB PRO 15 -40.927 -18.291 -17.882 101 HG2 PRO 15 2HG PRO 15 -42.387 -20.459 -16.445 102 HG3 PRO 15 1HG PRO 15 -42.135 -20.237 -18.183 103 HD2 PRO 15 2HD PRO 15 -40.666 -21.932 -16.535 104 HD3 PRO 15 1HD PRO 15 -40.162 -21.364 -18.136 105 H ARG 16 H ARG 16 -40.674 -20.935 -14.668 106 HA ARG 16 HA ARG 16 -41.368 -19.317 -12.321 107 HB2 ARG 16 2HB ARG 16 -42.293 -21.934 -13.392 108 HB3 ARG 16 1HB ARG 16 -42.306 -21.722 -11.646 109 HG2 ARG 16 2HG ARG 16 -44.437 -21.081 -12.280 110 HG3 ARG 16 1HG ARG 16 -43.583 -19.543 -12.135 111 HD2 ARG 16 2HD ARG 16 -43.610 -19.158 -14.377 112 HD3 ARG 16 1HD ARG 16 -43.543 -20.872 -14.783 113 HE ARG 16 HE ARG 16 -46.009 -20.588 -13.706 114 HH11 ARG 16 1HH1 ARG 16 -44.303 -18.910 -16.247 115 HH12 ARG 16 2HH1 ARG 16 -45.741 -18.523 -17.130 116 HH21 ARG 16 1HH2 ARG 16 -47.903 -20.080 -14.866 117 HH22 ARG 16 2HH2 ARG 16 -47.786 -19.187 -16.345 118 H GLY 17 H GLY 17 -39.280 -21.890 -13.434 119 HA2 GLY 17 2HA GLY 17 -37.252 -22.549 -12.502 120 HA3 GLY 17 1HA GLY 17 -37.603 -21.552 -11.099 121 H SER 18 H SER 18 -36.516 -23.798 -10.417 122 HA SER 18 HA SER 18 -38.419 -25.109 -8.825 123 HB2 SER 18 2HB SER 18 -38.702 -27.219 -9.858 124 HB3 SER 18 1HB SER 18 -38.960 -26.050 -11.152 125 HG SER 18 HG SER 18 -36.624 -26.392 -11.590 126 H HIS 19 H HIS 19 -37.456 -27.134 -7.792 127 HA HIS 19 HA HIS 19 -34.583 -26.658 -7.389 128 HB2 HIS 19 2HB HIS 19 -36.522 -26.677 -5.515 129 HB3 HIS 19 1HB HIS 19 -36.078 -28.380 -5.494 130 HD1 HIS 19 1HD HIS 19 -35.417 -27.306 -2.953 131 HD2 HIS 19 2HD HIS 19 -32.888 -26.607 -6.176 132 HE1 HIS 19 1HE HIS 19 -33.194 -26.702 -1.944 133 HE2 HIS 19 2HE HIS 19 -31.704 -26.199 -3.913 134 H MET 20 H MET 20 -33.802 -27.913 -9.092 135 HA MET 20 HA MET 20 -33.282 -30.603 -8.532 136 HB2 MET 20 2HB MET 20 -34.555 -31.528 -10.589 137 HB3 MET 20 1HB MET 20 -35.435 -31.285 -9.087 138 HG2 MET 20 2HG MET 20 -35.458 -28.954 -10.838 139 HG3 MET 20 1HG MET 20 -36.194 -30.386 -11.554 140 HE1 MET 20 3HE MET 20 -38.388 -28.908 -11.725 141 HE2 MET 20 1HE MET 20 -39.620 -29.355 -10.545 142 HE3 MET 20 2HE MET 20 -38.718 -30.609 -11.397 143 H SER 21 H SER 21 -33.661 -28.160 -11.046 144 HA SER 21 HA SER 21 -31.908 -29.247 -12.941 145 HB2 SER 21 2HB SER 21 -31.966 -26.294 -12.679 146 HB3 SER 21 1HB SER 21 -32.231 -27.307 -14.099 147 HG SER 21 HG SER 21 -34.035 -26.333 -12.258 148 H LEU 22 H LEU 22 -29.776 -28.290 -13.561 149 HA LEU 22 HA LEU 22 -28.137 -27.912 -11.146 150 HB2 LEU 22 2HB LEU 22 -26.254 -28.587 -12.775 151 HB3 LEU 22 1HB LEU 22 -27.334 -29.828 -12.170 152 HG LEU 22 HG LEU 22 -28.032 -28.544 -14.760 153 HD11 LEU 22 1HD1 LEU 22 -26.203 -30.850 -14.934 154 HD12 LEU 22 2HD1 LEU 22 -25.470 -29.305 -14.501 155 HD13 LEU 22 3HD1 LEU 22 -26.385 -29.457 -16.001 156 HD21 LEU 22 3HD2 LEU 22 -29.592 -30.127 -14.330 157 HD22 LEU 22 1HD2 LEU 22 -28.507 -31.080 -13.320 158 HD23 LEU 22 2HD2 LEU 22 -28.388 -31.178 -15.076 159 H ASP 23 H ASP 23 -28.736 -26.708 -14.404 160 HA ASP 23 HA ASP 23 -28.112 -24.050 -13.756 161 HB2 ASP 23 2HB ASP 23 -25.796 -25.408 -13.935 162 HB3 ASP 23 1HB ASP 23 -26.013 -24.995 -15.632 163 H GLU 24 H GLU 24 -27.573 -22.817 -15.989 164 HA GLU 24 HA GLU 24 -28.859 -24.017 -18.277 165 HB2 GLU 24 2HB GLU 24 -30.202 -21.936 -16.603 166 HB3 GLU 24 1HB GLU 24 -30.433 -21.906 -18.345 167 HG2 GLU 24 2HG GLU 24 -31.210 -24.257 -18.228 168 HG3 GLU 24 1HG GLU 24 -31.102 -24.161 -16.472 169 H ASN 25 H ASN 25 -28.519 -20.631 -17.244 170 HA ASN 25 HA ASN 25 -26.128 -20.097 -18.612 171 HB2 ASN 25 2HB ASN 25 -27.137 -18.733 -20.503 172 HB3 ASN 25 1HB ASN 25 -27.239 -20.483 -20.676 173 HD21 ASN 25 1HD2 ASN 25 -29.187 -21.434 -20.828 174 HD22 ASN 25 2HD2 ASN 25 -30.692 -20.589 -20.777 175 H GLU 26 H GLU 26 -25.507 -18.678 -17.096 176 HA GLU 26 HA GLU 26 -26.498 -16.052 -17.075 177 HB2 GLU 26 2HB GLU 26 -27.375 -16.033 -14.713 178 HB3 GLU 26 1HB GLU 26 -28.410 -16.832 -15.890 179 HG2 GLU 26 2HG GLU 26 -28.223 -18.825 -14.891 180 HG3 GLU 26 1HG GLU 26 -26.508 -18.605 -14.544 181 H VAL 27 H VAL 27 -24.522 -15.185 -16.966 182 HA VAL 27 HA VAL 27 -22.954 -15.644 -14.548 183 HB VAL 27 HB VAL 27 -22.034 -17.204 -16.226 184 HG11 VAL 27 1HG1 VAL 27 -21.421 -16.636 -18.325 185 HG12 VAL 27 2HG1 VAL 27 -20.879 -15.027 -17.848 186 HG13 VAL 27 3HG1 VAL 27 -22.599 -15.346 -18.081 187 HG21 VAL 27 3HG2 VAL 27 -20.670 -15.735 -14.498 188 HG22 VAL 27 1HG2 VAL 27 -19.948 -15.104 -15.978 189 HG23 VAL 27 2HG2 VAL 27 -19.866 -16.830 -15.623 190 H ALA 28 H ALA 28 -24.534 -13.436 -15.253 191 HA ALA 28 HA ALA 28 -22.734 -11.317 -14.837 192 HB1 ALA 28 1HB ALA 28 -23.091 -10.099 -16.990 193 HB2 ALA 28 2HB ALA 28 -23.773 -11.584 -17.651 194 HB3 ALA 28 3HB ALA 28 -22.091 -11.545 -17.126 195 H ALA 29 H ALA 29 -25.168 -12.293 -13.741 196 HA ALA 29 HA ALA 29 -27.230 -10.395 -14.513 197 HB1 ALA 29 1HB ALA 29 -27.993 -12.611 -14.062 198 HB2 ALA 29 2HB ALA 29 -28.574 -11.569 -12.763 199 HB3 ALA 29 3HB ALA 29 -27.192 -12.627 -12.491 200 H ASN 30 H ASN 30 -26.157 -11.383 -11.271 201 HA ASN 30 HA ASN 30 -26.295 -8.560 -10.462 202 HB2 ASN 30 2HB ASN 30 -27.601 -10.631 -9.346 203 HB3 ASN 30 1HB ASN 30 -26.112 -10.697 -8.408 204 HD21 ASN 30 1HD2 ASN 30 -28.630 -8.461 -9.484 205 HD22 ASN 30 2HD2 ASN 30 -28.611 -7.479 -8.064 206 H VAL 31 H VAL 31 -24.390 -11.511 -9.887 207 HA VAL 31 HA VAL 31 -22.256 -11.822 -9.136 208 HB VAL 31 HB VAL 31 -20.535 -10.707 -10.430 209 HG11 VAL 31 1HG1 VAL 31 -21.327 -11.249 -12.692 210 HG12 VAL 31 2HG1 VAL 31 -22.978 -11.343 -12.077 211 HG13 VAL 31 3HG1 VAL 31 -21.762 -12.489 -11.515 212 HG21 VAL 31 3HG2 VAL 31 -21.566 -8.424 -10.289 213 HG22 VAL 31 1HG2 VAL 31 -22.677 -8.918 -11.567 214 HG23 VAL 31 2HG2 VAL 31 -20.942 -8.858 -11.880 215 H GLU 32 H GLU 32 -20.102 -10.277 -8.614 216 HA GLU 32 HA GLU 32 -20.946 -8.113 -6.847 217 HB2 GLU 32 2HB GLU 32 -19.431 -10.559 -5.931 218 HB3 GLU 32 1HB GLU 32 -19.529 -9.071 -4.999 219 HG2 GLU 32 2HG GLU 32 -21.983 -10.539 -5.894 220 HG3 GLU 32 1HG GLU 32 -21.134 -10.955 -4.406 221 H THR 33 H THR 33 -17.962 -10.016 -7.242 222 HA THR 33 HA THR 33 -15.840 -9.421 -7.809 223 HB THR 33 HB THR 33 -16.752 -6.969 -9.230 224 HG1 THR 33 1HG THR 33 -17.636 -8.216 -10.889 225 HG21 THR 33 3HG2 THR 33 -15.434 -8.300 -11.070 226 HG22 THR 33 1HG2 THR 33 -14.759 -9.123 -9.664 227 HG23 THR 33 2HG2 THR 33 -14.595 -7.374 -9.826 228 H ARG 34 H ARG 34 -14.700 -8.774 -6.099 229 HA ARG 34 HA ARG 34 -13.733 -7.444 -4.530 230 HB2 ARG 34 2HB ARG 34 -14.503 -5.479 -6.649 231 HB3 ARG 34 1HB ARG 34 -13.897 -4.881 -5.111 232 HG2 ARG 34 2HG ARG 34 -11.909 -5.036 -6.142 233 HG3 ARG 34 1HG ARG 34 -12.022 -6.729 -5.660 234 HD2 ARG 34 2HD ARG 34 -12.481 -7.444 -7.777 235 HD3 ARG 34 1HD ARG 34 -13.278 -5.938 -8.230 236 HE ARG 34 HE ARG 34 -10.565 -6.605 -8.668 237 HH11 ARG 34 1HH1 ARG 34 -12.610 -3.918 -7.784 238 HH12 ARG 34 2HH1 ARG 34 -11.528 -2.725 -8.422 239 HH21 ARG 34 1HH2 ARG 34 -9.142 -5.038 -9.507 240 HH22 ARG 34 2HH2 ARG 34 -9.559 -3.360 -9.400 241 HA PRO 35 HA PRO 35 -17.843 -6.684 -2.537 242 HB2 PRO 35 2HB PRO 35 -17.292 -8.073 -0.275 243 HB3 PRO 35 1HB PRO 35 -17.907 -8.843 -1.742 244 HG2 PRO 35 2HG PRO 35 -15.097 -8.684 -0.724 245 HG3 PRO 35 1HG PRO 35 -15.954 -10.067 -1.427 246 HD2 PRO 35 2HD PRO 35 -14.209 -8.557 -2.846 247 HD3 PRO 35 1HD PRO 35 -15.622 -9.337 -3.587 248 H GLU 36 H GLU 36 -14.571 -6.555 -1.198 249 HA GLU 36 HA GLU 36 -14.975 -3.897 -0.222 250 HB2 GLU 36 2HB GLU 36 -14.395 -4.520 2.173 251 HB3 GLU 36 1HB GLU 36 -16.030 -4.897 1.645 252 HG2 GLU 36 2HG GLU 36 -14.180 -7.086 1.186 253 HG3 GLU 36 1HG GLU 36 -14.267 -6.612 2.882 254 H LEU 37 H LEU 37 -13.016 -2.926 0.552 255 HA LEU 37 HA LEU 37 -10.651 -4.262 -0.523 256 HB2 LEU 37 2HB LEU 37 -11.105 -1.409 0.351 257 HB3 LEU 37 1HB LEU 37 -9.580 -2.024 -0.257 258 HG LEU 37 HG LEU 37 -12.171 -1.811 -1.789 259 HD11 LEU 37 1HD1 LEU 37 -9.530 -0.378 -2.022 260 HD12 LEU 37 2HD1 LEU 37 -11.079 0.316 -1.542 261 HD13 LEU 37 3HD1 LEU 37 -10.845 -0.261 -3.193 262 HD21 LEU 37 3HD2 LEU 37 -11.003 -3.832 -2.443 263 HD22 LEU 37 1HD2 LEU 37 -9.503 -2.927 -2.642 264 HD23 LEU 37 2HD2 LEU 37 -10.869 -2.615 -3.713 265 H ILE 38 H ILE 38 -9.238 -5.233 0.740 266 HA ILE 38 HA ILE 38 -9.288 -4.675 3.619 267 HB ILE 38 HB ILE 38 -9.400 -7.080 2.348 268 HG12 ILE 38 2HG1 ILE 38 -8.266 -6.476 5.085 269 HG13 ILE 38 1HG1 ILE 38 -9.960 -6.712 4.674 270 HG21 ILE 38 1HG2 ILE 38 -6.973 -6.656 1.661 271 HG22 ILE 38 2HG2 ILE 38 -7.385 -8.229 2.334 272 HG23 ILE 38 3HG2 ILE 38 -6.576 -7.025 3.336 273 HD11 ILE 38 3HD1 ILE 38 -9.323 -9.046 3.960 274 HD12 ILE 38 1HD1 ILE 38 -9.239 -8.704 5.689 275 HD13 ILE 38 2HD1 ILE 38 -7.761 -8.751 4.725 276 H THR 39 H THR 39 -6.852 -5.302 4.507 277 HA THR 39 HA THR 39 -4.727 -4.216 2.888 278 HB THR 39 HB THR 39 -4.347 -2.404 4.766 279 HG1 THR 39 1HG THR 39 -6.037 -1.890 5.905 280 HG21 THR 39 3HG2 THR 39 -5.450 -2.292 2.198 281 HG22 THR 39 1HG2 THR 39 -4.726 -0.979 3.124 282 HG23 THR 39 2HG2 THR 39 -6.462 -1.271 3.217 283 H ARG 40 H ARG 40 -2.759 -4.695 3.662 284 HA ARG 40 HA ARG 40 -2.233 -5.429 6.370 285 HB2 ARG 40 2HB ARG 40 -1.439 -7.784 5.651 286 HB3 ARG 40 1HB ARG 40 -3.156 -7.538 5.945 287 HG2 ARG 40 2HG ARG 40 -3.704 -7.715 3.727 288 HG3 ARG 40 1HG ARG 40 -2.106 -7.207 3.179 289 HD2 ARG 40 2HD ARG 40 -1.760 -9.383 2.782 290 HD3 ARG 40 1HD ARG 40 -1.538 -9.514 4.525 291 HE ARG 40 HE ARG 40 -3.784 -10.456 2.975 292 HH11 ARG 40 1HH1 ARG 40 -2.614 -9.603 6.154 293 HH12 ARG 40 2HH1 ARG 40 -3.803 -10.550 6.981 294 HH21 ARG 40 1HH2 ARG 40 -5.349 -11.699 4.065 295 HH22 ARG 40 2HH2 ARG 40 -5.354 -11.740 5.798 296 H THR 41 H THR 41 -0.367 -4.359 6.546 297 HA THR 41 HA THR 41 1.396 -4.082 4.279 298 HB THR 41 HB THR 41 0.990 -2.206 5.839 299 HG1 THR 41 1HG THR 41 2.899 -1.574 5.300 300 HG21 THR 41 3HG2 THR 41 1.963 -2.132 8.020 301 HG22 THR 41 1HG2 THR 41 2.624 -3.757 7.829 302 HG23 THR 41 2HG2 THR 41 0.879 -3.522 7.932 303 H GLU 42 H GLU 42 3.164 -5.062 3.844 304 HA GLU 42 HA GLU 42 4.011 -7.237 5.604 305 HB2 GLU 42 2HB GLU 42 5.205 -6.872 2.901 306 HB3 GLU 42 1HB GLU 42 4.776 -8.353 3.747 307 HG2 GLU 42 2HG GLU 42 2.855 -6.457 2.411 308 HG3 GLU 42 1HG GLU 42 3.383 -8.021 1.787 309 H GLU 43 H GLU 43 6.144 -7.473 6.203 310 HA GLU 43 HA GLU 43 7.524 -5.082 6.805 311 HB2 GLU 43 2HB GLU 43 8.040 -7.989 7.175 312 HB3 GLU 43 1HB GLU 43 9.419 -6.905 7.287 313 HG2 GLU 43 2HG GLU 43 8.680 -5.928 9.204 314 HG3 GLU 43 1HG GLU 43 6.981 -6.209 8.824 315 H ILE 44 H ILE 44 8.217 -3.908 5.109 316 HA ILE 44 HA ILE 44 9.856 -5.227 3.054 317 HB ILE 44 HB ILE 44 8.724 -2.430 2.964 318 HG12 ILE 44 2HG1 ILE 44 7.376 -4.100 1.126 319 HG13 ILE 44 1HG1 ILE 44 7.372 -4.959 2.664 320 HG21 ILE 44 1HG2 ILE 44 10.624 -2.787 1.505 321 HG22 ILE 44 2HG2 ILE 44 9.148 -2.634 0.552 322 HG23 ILE 44 3HG2 ILE 44 9.861 -4.224 0.825 323 HD11 ILE 44 3HD1 ILE 44 6.369 -2.155 2.196 324 HD12 ILE 44 1HD1 ILE 44 6.384 -2.997 3.740 325 HD13 ILE 44 2HD1 ILE 44 5.374 -3.605 2.428 326 HA PRO 45 HA PRO 45 13.061 -3.064 5.524 327 HB2 PRO 45 2HB PRO 45 15.016 -4.866 5.132 328 HB3 PRO 45 1HB PRO 45 13.734 -5.124 6.321 329 HG2 PRO 45 2HG PRO 45 13.991 -6.224 3.545 330 HG3 PRO 45 1HG PRO 45 13.506 -7.054 5.036 331 HD2 PRO 45 2HD PRO 45 11.723 -6.149 3.184 332 HD3 PRO 45 1HD PRO 45 11.349 -6.281 4.914 333 H PHE 46 H PHE 46 14.997 -2.005 4.916 334 HA PHE 46 HA PHE 46 15.149 -1.411 2.083 335 HB2 PHE 46 2HB PHE 46 16.489 0.461 2.701 336 HB3 PHE 46 1HB PHE 46 15.209 0.352 3.901 337 HD1 PHE 46 1HD PHE 46 18.790 -0.129 3.272 338 HD2 PHE 46 2HD PHE 46 15.694 -0.166 6.194 339 HE1 PHE 46 1HE PHE 46 20.479 -0.168 5.061 340 HE2 PHE 46 2HE PHE 46 17.379 -0.202 7.985 341 HZ PHE 46 HZ PHE 46 19.775 -0.203 7.420 342 H GLU 47 H GLU 47 17.634 -0.853 1.472 343 HA GLU 47 HA GLU 47 19.488 -2.885 2.331 344 HB2 GLU 47 2HB GLU 47 18.520 -2.896 -0.533 345 HB3 GLU 47 1HB GLU 47 19.773 -3.926 0.147 346 HG2 GLU 47 2HG GLU 47 18.062 -4.892 1.671 347 HG3 GLU 47 1HG GLU 47 16.839 -3.959 0.808 348 H VAL 48 H VAL 48 21.382 -1.900 2.435 349 HA VAL 48 HA VAL 48 21.879 0.630 1.271 350 HB VAL 48 HB VAL 48 23.916 -1.301 2.389 351 HG11 VAL 48 1HG1 VAL 48 23.973 1.571 1.613 352 HG12 VAL 48 2HG1 VAL 48 25.204 0.323 1.421 353 HG13 VAL 48 3HG1 VAL 48 24.927 1.052 3.003 354 HG21 VAL 48 3HG2 VAL 48 23.451 0.543 4.349 355 HG22 VAL 48 1HG2 VAL 48 22.754 -1.077 4.294 356 HG23 VAL 48 2HG2 VAL 48 21.835 0.299 3.684 357 H ILE 49 H ILE 49 23.351 1.226 -0.351 358 HA ILE 49 HA ILE 49 24.170 -0.927 -2.185 359 HB ILE 49 HB ILE 49 23.077 1.756 -3.044 360 HG12 ILE 49 2HG1 ILE 49 21.681 -0.779 -3.712 361 HG13 ILE 49 1HG1 ILE 49 21.552 -0.223 -2.046 362 HG21 ILE 49 1HG2 ILE 49 24.192 -0.600 -4.511 363 HG22 ILE 49 2HG2 ILE 49 24.536 1.116 -4.724 364 HG23 ILE 49 3HG2 ILE 49 23.001 0.449 -5.280 365 HD11 ILE 49 3HD1 ILE 49 19.744 0.489 -3.696 366 HD12 ILE 49 1HD1 ILE 49 20.954 1.594 -4.348 367 HD13 ILE 49 2HD1 ILE 49 20.450 1.732 -2.663 368 H LYS 50 H LYS 50 25.983 -0.412 -3.552 369 HA LYS 50 HA LYS 50 27.665 1.769 -2.502 370 HB2 LYS 50 2HB LYS 50 28.590 -0.963 -3.409 371 HB3 LYS 50 1HB LYS 50 29.627 0.342 -2.848 372 HG2 LYS 50 2HG LYS 50 29.135 -0.017 -0.673 373 HG3 LYS 50 1HG LYS 50 27.475 -0.507 -1.014 374 HD2 LYS 50 2HD LYS 50 28.309 -2.540 -0.431 375 HD3 LYS 50 1HD LYS 50 28.749 -2.562 -2.140 376 HE2 LYS 50 2HE LYS 50 30.782 -3.088 -1.295 377 HE3 LYS 50 1HE LYS 50 30.911 -1.334 -1.156 378 HZ1 LYS 50 3HZ LYS 50 29.908 -1.701 1.158 379 HZ2 LYS 50 1HZ LYS 50 31.537 -2.099 0.923 380 HZ3 LYS 50 2HZ LYS 50 30.364 -3.317 0.959 381 H LYS 51 H LYS 51 27.460 3.257 -4.088 382 HA LYS 51 HA LYS 51 27.970 2.389 -6.855 383 HB2 LYS 51 2HB LYS 51 25.778 3.451 -6.497 384 HB3 LYS 51 1HB LYS 51 26.577 4.884 -5.866 385 HG2 LYS 51 2HG LYS 51 26.081 5.469 -8.049 386 HG3 LYS 51 1HG LYS 51 27.769 4.962 -8.146 387 HD2 LYS 51 2HD LYS 51 26.764 3.910 -9.971 388 HD3 LYS 51 1HD LYS 51 26.829 2.647 -8.740 389 HE2 LYS 51 2HE LYS 51 24.667 2.532 -9.690 390 HE3 LYS 51 1HE LYS 51 24.474 3.304 -8.116 391 HZ1 LYS 51 3HZ LYS 51 24.320 4.517 -10.800 392 HZ2 LYS 51 1HZ LYS 51 24.669 5.471 -9.446 393 HZ3 LYS 51 2HZ LYS 51 23.214 4.615 -9.525 394 H GLU 52 H GLU 52 29.434 3.529 -8.135 395 HA GLU 52 HA GLU 52 31.571 4.796 -6.655 396 HB2 GLU 52 2HB GLU 52 32.788 4.751 -8.780 397 HB3 GLU 52 1HB GLU 52 32.109 3.173 -8.403 398 HG2 GLU 52 2HG GLU 52 30.391 4.888 -10.047 399 HG3 GLU 52 1HG GLU 52 31.911 4.408 -10.801 400 H ASN 53 H ASN 53 32.204 6.903 -6.770 401 HA ASN 53 HA ASN 53 30.641 8.714 -8.475 402 HB2 ASN 53 2HB ASN 53 29.720 8.742 -6.168 403 HB3 ASN 53 1HB ASN 53 31.300 9.235 -5.570 404 HD21 ASN 53 1HD2 ASN 53 32.103 11.295 -6.156 405 HD22 ASN 53 2HD2 ASN 53 31.028 12.564 -6.622 406 HA PRO 54 HA PRO 54 35.046 9.651 -9.216 407 HB2 PRO 54 2HB PRO 54 34.612 10.912 -11.592 408 HB3 PRO 54 1HB PRO 54 34.752 9.157 -11.437 409 HG2 PRO 54 2HG PRO 54 32.292 10.850 -11.632 410 HG3 PRO 54 1HG PRO 54 32.655 9.307 -12.426 411 HD2 PRO 54 2HD PRO 54 31.083 9.467 -10.237 412 HD3 PRO 54 1HD PRO 54 32.137 8.072 -10.544 413 H ASN 55 H ASN 55 34.881 11.134 -7.392 414 HA ASN 55 HA ASN 55 35.374 13.805 -8.122 415 HB2 ASN 55 2HB ASN 55 32.828 13.656 -8.364 416 HB3 ASN 55 1HB ASN 55 32.783 13.518 -6.609 417 HD21 ASN 55 1HD2 ASN 55 34.643 15.496 -8.894 418 HD22 ASN 55 2HD2 ASN 55 34.249 17.012 -8.165 419 H LEU 56 H LEU 56 34.288 11.620 -5.570 420 HA LEU 56 HA LEU 56 35.148 13.087 -3.355 421 HB2 LEU 56 2HB LEU 56 35.205 10.081 -3.594 422 HB3 LEU 56 1HB LEU 56 35.053 11.027 -2.125 423 HG LEU 56 HG LEU 56 32.985 10.828 -4.315 424 HD11 LEU 56 1HD1 LEU 56 31.869 9.298 -3.068 425 HD12 LEU 56 2HD1 LEU 56 32.481 9.931 -1.539 426 HD13 LEU 56 3HD1 LEU 56 33.508 8.910 -2.547 427 HD21 LEU 56 3HD2 LEU 56 31.686 11.914 -2.241 428 HD22 LEU 56 1HD2 LEU 56 32.457 12.872 -3.505 429 HD23 LEU 56 2HD2 LEU 56 33.287 12.603 -1.972 430 HA PRO 57 HA PRO 57 39.537 12.680 -3.291 431 HB2 PRO 57 2HB PRO 57 39.678 12.036 -0.469 432 HB3 PRO 57 1HB PRO 57 40.010 13.573 -1.270 433 HG2 PRO 57 2HG PRO 57 37.879 13.167 0.383 434 HG3 PRO 57 1HG PRO 57 37.884 14.351 -0.936 435 HD2 PRO 57 2HD PRO 57 36.694 11.602 -0.861 436 HD3 PRO 57 1HD PRO 57 36.028 13.099 -1.549 437 H ALA 58 H ALA 58 38.475 10.268 -4.176 438 HA ALA 58 HA ALA 58 39.034 8.091 -4.506 439 HB1 ALA 58 1HB ALA 58 41.486 9.254 -3.316 440 HB2 ALA 58 2HB ALA 58 41.240 8.482 -4.883 441 HB3 ALA 58 3HB ALA 58 41.383 7.497 -3.426 442 H GLY 59 H GLY 59 38.129 6.383 -3.584 443 HA2 GLY 59 2HA GLY 59 37.225 5.011 -1.978 444 HA3 GLY 59 1HA GLY 59 38.776 5.208 -1.184 445 H GLN 60 H GLN 60 35.928 7.294 -1.718 446 HA GLN 60 HA GLN 60 36.026 7.963 1.147 447 HB2 GLN 60 2HB GLN 60 36.159 9.704 -0.894 448 HB3 GLN 60 1HB GLN 60 34.413 9.618 -0.713 449 HG2 GLN 60 2HG GLN 60 35.243 9.922 1.870 450 HG3 GLN 60 1HG GLN 60 36.417 10.889 0.981 451 HE21 GLN 60 1HE2 GLN 60 33.471 10.931 2.459 452 HE22 GLN 60 2HE2 GLN 60 32.793 12.330 1.707 453 H GLU 61 H GLU 61 34.279 7.630 2.423 454 HA GLU 61 HA GLU 61 31.871 6.521 1.136 455 HB2 GLU 61 2HB GLU 61 33.514 5.098 2.721 456 HB3 GLU 61 1HB GLU 61 32.465 5.792 3.948 457 HG2 GLU 61 2HG GLU 61 31.036 4.664 1.664 458 HG3 GLU 61 1HG GLU 61 31.983 3.491 2.579 459 H ASN 62 H ASN 62 30.184 7.821 1.330 460 HA ASN 62 HA ASN 62 29.876 9.368 3.818 461 HB2 ASN 62 2HB ASN 62 28.799 11.156 2.415 462 HB3 ASN 62 1HB ASN 62 30.525 10.948 2.134 463 HD21 ASN 62 1HD2 ASN 62 31.072 9.438 0.318 464 HD22 ASN 62 2HD2 ASN 62 30.106 9.548 -1.110 465 H ILE 63 H ILE 63 27.662 9.924 4.360 466 HA ILE 63 HA ILE 63 25.747 7.939 3.321 467 HB ILE 63 HB ILE 63 25.712 9.247 6.043 468 HG12 ILE 63 2HG1 ILE 63 27.653 7.732 5.743 469 HG13 ILE 63 1HG1 ILE 63 26.502 7.125 6.929 470 HG21 ILE 63 1HG2 ILE 63 24.255 6.745 5.615 471 HG22 ILE 63 2HG2 ILE 63 23.640 8.108 4.682 472 HG23 ILE 63 3HG2 ILE 63 23.758 8.224 6.437 473 HD11 ILE 63 3HD1 ILE 63 25.917 6.133 4.282 474 HD12 ILE 63 1HD1 ILE 63 26.195 5.255 5.785 475 HD13 ILE 63 2HD1 ILE 63 27.562 5.744 4.783 476 H ILE 64 H ILE 64 24.842 9.193 1.705 477 HA ILE 64 HA ILE 64 23.955 11.875 2.140 478 HB ILE 64 HB ILE 64 23.042 10.013 -0.052 479 HG12 ILE 64 2HG1 ILE 64 25.480 11.807 0.021 480 HG13 ILE 64 1HG1 ILE 64 25.498 10.047 0.035 481 HG21 ILE 64 1HG2 ILE 64 22.475 11.947 -1.259 482 HG22 ILE 64 2HG2 ILE 64 23.365 12.997 -0.158 483 HG23 ILE 64 3HG2 ILE 64 21.869 12.228 0.373 484 HD11 ILE 64 3HD1 ILE 64 24.851 9.901 -2.182 485 HD12 ILE 64 1HD1 ILE 64 25.948 11.281 -2.171 486 HD13 ILE 64 2HD1 ILE 64 24.203 11.540 -2.205 487 H THR 65 H THR 65 22.509 8.702 2.379 488 HA THR 65 HA THR 65 20.299 9.744 3.884 489 HB THR 65 HB THR 65 19.697 8.389 1.248 490 HG1 THR 65 1HG THR 65 19.377 10.310 0.427 491 HG21 THR 65 3HG2 THR 65 18.046 9.107 3.561 492 HG22 THR 65 1HG2 THR 65 17.782 7.903 2.299 493 HG23 THR 65 2HG2 THR 65 17.409 9.600 1.992 494 H ALA 66 H ALA 66 20.984 8.360 5.494 495 HA ALA 66 HA ALA 66 21.763 5.729 5.306 496 HB1 ALA 66 1HB ALA 66 20.537 7.371 7.447 497 HB2 ALA 66 2HB ALA 66 22.077 6.516 7.415 498 HB3 ALA 66 3HB ALA 66 20.580 5.624 7.681 499 H GLY 67 H GLY 67 20.749 3.729 5.447 500 HA2 GLY 67 2HA GLY 67 18.158 3.586 4.213 501 HA3 GLY 67 1HA GLY 67 19.149 2.225 4.721 502 H VAL 68 H VAL 68 16.216 3.063 5.086 503 HA VAL 68 HA VAL 68 16.101 2.300 7.909 504 HB VAL 68 HB VAL 68 14.379 4.518 6.805 505 HG11 VAL 68 1HG1 VAL 68 14.538 3.052 9.364 506 HG12 VAL 68 2HG1 VAL 68 13.154 3.794 8.563 507 HG13 VAL 68 3HG1 VAL 68 14.291 4.795 9.468 508 HG21 VAL 68 3HG2 VAL 68 15.737 6.036 8.198 509 HG22 VAL 68 1HG2 VAL 68 16.665 5.304 6.889 510 HG23 VAL 68 2HG2 VAL 68 16.841 4.703 8.537 511 H LYS 69 H LYS 69 14.548 0.862 8.370 512 HA LYS 69 HA LYS 69 13.250 -0.558 6.356 513 HB2 LYS 69 2HB LYS 69 13.768 -1.193 8.823 514 HB3 LYS 69 1HB LYS 69 12.196 -0.483 9.163 515 HG2 LYS 69 2HG LYS 69 11.325 -2.473 8.713 516 HG3 LYS 69 1HG LYS 69 11.718 -2.169 7.021 517 HD2 LYS 69 2HD LYS 69 12.582 -4.333 7.751 518 HD3 LYS 69 1HD LYS 69 13.897 -3.234 7.331 519 HE2 LYS 69 2HE LYS 69 14.676 -3.158 9.445 520 HE3 LYS 69 1HE LYS 69 13.059 -3.165 10.148 521 HZ1 LYS 69 3HZ LYS 69 13.793 -5.208 10.784 522 HZ2 LYS 69 1HZ LYS 69 14.786 -5.418 9.430 523 HZ3 LYS 69 2HZ LYS 69 13.114 -5.630 9.295 524 H GLY 70 H GLY 70 11.313 -0.423 5.384 525 HA2 GLY 70 2HA GLY 70 9.534 1.784 6.226 526 HA3 GLY 70 1HA GLY 70 9.762 1.295 4.553 527 H GLU 71 H GLU 71 7.385 1.087 4.474 528 HA GLU 71 HA GLU 71 6.627 -1.614 4.965 529 HB2 GLU 71 2HB GLU 71 6.054 0.295 6.998 530 HB3 GLU 71 1HB GLU 71 4.537 -0.094 6.198 531 HG2 GLU 71 2HG GLU 71 5.050 -2.505 6.557 532 HG3 GLU 71 1HG GLU 71 6.443 -2.010 7.514 533 H ARG 72 H ARG 72 4.649 -2.104 3.933 534 HA ARG 72 HA ARG 72 3.448 0.006 2.338 535 HB2 ARG 72 2HB ARG 72 5.243 -1.103 0.939 536 HB3 ARG 72 1HB ARG 72 4.317 -2.594 1.062 537 HG2 ARG 72 2HG ARG 72 2.530 -1.700 -0.174 538 HG3 ARG 72 1HG ARG 72 3.158 -0.061 -0.025 539 HD2 ARG 72 2HD ARG 72 5.208 -1.551 -1.213 540 HD3 ARG 72 1HD ARG 72 3.722 -2.057 -2.016 541 HE ARG 72 HE ARG 72 3.629 0.690 -1.942 542 HH11 ARG 72 1HH1 ARG 72 5.779 -1.722 -3.260 543 HH12 ARG 72 2HH1 ARG 72 6.293 -0.723 -4.578 544 HH21 ARG 72 1HH2 ARG 72 4.303 2.005 -3.677 545 HH22 ARG 72 2HH2 ARG 72 5.456 1.392 -4.814 546 H THR 73 H THR 73 1.436 -0.079 2.909 547 HA THR 73 HA THR 73 0.294 -2.465 4.013 548 HB THR 73 HB THR 73 -1.141 0.045 3.137 549 HG1 THR 73 1HG THR 73 -0.007 0.847 4.729 550 HG21 THR 73 3HG2 THR 73 -2.156 -1.462 5.408 551 HG22 THR 73 1HG2 THR 73 -2.231 -2.325 3.869 552 HG23 THR 73 2HG2 THR 73 -3.008 -0.747 4.039 553 H HIS 74 H HIS 74 -0.633 -4.066 2.960 554 HA HIS 74 HA HIS 74 -1.157 -3.644 0.130 555 HB2 HIS 74 2HB HIS 74 -0.015 -5.867 1.678 556 HB3 HIS 74 1HB HIS 74 -1.012 -6.308 0.275 557 HD1 HIS 74 1HD HIS 74 1.813 -4.040 1.205 558 HD2 HIS 74 2HD HIS 74 0.243 -5.966 -2.113 559 HE1 HIS 74 1HE HIS 74 3.388 -3.498 -0.696 560 HE2 HIS 74 2HE HIS 74 2.218 -4.414 -2.730 561 H TYR 75 H TYR 75 -3.014 -3.538 -0.600 562 HA TYR 75 HA TYR 75 -5.285 -4.327 1.001 563 HB2 TYR 75 2HB TYR 75 -5.698 -3.071 -1.653 564 HB3 TYR 75 1HB TYR 75 -6.457 -2.709 -0.106 565 HD1 TYR 75 1HD TYR 75 -3.678 -2.338 1.343 566 HD2 TYR 75 2HD TYR 75 -5.351 -0.729 -2.226 567 HE1 TYR 75 1HE TYR 75 -2.222 -0.378 1.550 568 HE2 TYR 75 2HE TYR 75 -3.924 1.260 -1.989 569 HH TYR 75 HH TYR 75 -2.649 2.324 0.472 570 H ILE 76 H ILE 76 -5.419 -6.491 0.857 571 HA ILE 76 HA ILE 76 -5.430 -7.840 -1.707 572 HB ILE 76 HB ILE 76 -5.820 -8.870 1.110 573 HG12 ILE 76 2HG1 ILE 76 -3.553 -9.878 0.699 574 HG13 ILE 76 1HG1 ILE 76 -3.465 -8.945 -0.791 575 HG21 ILE 76 1HG2 ILE 76 -6.980 -10.294 -0.502 576 HG22 ILE 76 2HG2 ILE 76 -5.568 -11.112 0.165 577 HG23 ILE 76 3HG2 ILE 76 -5.503 -10.426 -1.458 578 HD11 ILE 76 3HD1 ILE 76 -2.358 -8.077 1.400 579 HD12 ILE 76 1HD1 ILE 76 -3.993 -7.537 1.776 580 HD13 ILE 76 2HD1 ILE 76 -3.188 -6.962 0.316 581 H SER 77 H SER 77 -7.197 -8.805 -2.660 582 HA SER 77 HA SER 77 -9.766 -7.700 -2.008 583 HB2 SER 77 2HB SER 77 -10.450 -9.361 -3.921 584 HB3 SER 77 1HB SER 77 -9.506 -7.923 -4.306 585 HG SER 77 HG SER 77 -8.864 -10.318 -4.933 586 H VAL 78 H VAL 78 -11.173 -8.519 -0.617 587 HA VAL 78 HA VAL 78 -10.752 -11.134 0.529 588 HB VAL 78 HB VAL 78 -13.051 -9.248 1.051 589 HG11 VAL 78 1HG1 VAL 78 -11.901 -11.143 3.044 590 HG12 VAL 78 2HG1 VAL 78 -12.984 -11.761 1.796 591 HG13 VAL 78 3HG1 VAL 78 -13.541 -10.510 2.906 592 HG21 VAL 78 3HG2 VAL 78 -11.260 -7.901 1.597 593 HG22 VAL 78 1HG2 VAL 78 -10.245 -9.261 2.077 594 HG23 VAL 78 2HG2 VAL 78 -11.558 -8.726 3.126 595 H LEU 79 H LEU 79 -11.334 -12.826 -0.690 596 HA LEU 79 HA LEU 79 -14.058 -12.826 -1.811 597 HB2 LEU 79 2HB LEU 79 -11.471 -13.664 -3.035 598 HB3 LEU 79 1HB LEU 79 -12.922 -14.553 -3.458 599 HG LEU 79 HG LEU 79 -12.549 -12.879 -5.129 600 HD11 LEU 79 1HD1 LEU 79 -14.894 -13.296 -4.120 601 HD12 LEU 79 2HD1 LEU 79 -14.656 -11.923 -5.201 602 HD13 LEU 79 3HD1 LEU 79 -14.715 -11.671 -3.457 603 HD21 LEU 79 3HD2 LEU 79 -11.897 -10.747 -4.759 604 HD22 LEU 79 1HD2 LEU 79 -11.321 -11.424 -3.236 605 HD23 LEU 79 2HD2 LEU 79 -12.872 -10.586 -3.298 606 H THR 80 H THR 80 -14.896 -13.884 -0.000 607 HA THR 80 HA THR 80 -13.764 -16.287 1.039 608 HB THR 80 HB THR 80 -16.654 -15.684 1.426 609 HG1 THR 80 1HG THR 80 -16.207 -13.960 2.747 610 HG21 THR 80 3HG2 THR 80 -15.917 -15.980 3.844 611 HG22 THR 80 1HG2 THR 80 -14.394 -16.572 3.178 612 HG23 THR 80 2HG2 THR 80 -15.903 -17.405 2.805 613 H GLU 81 H GLU 81 -14.067 -18.345 0.447 614 HA GLU 81 HA GLU 81 -16.282 -18.999 -1.359 615 HB2 GLU 81 2HB GLU 81 -13.944 -18.590 -2.493 616 HB3 GLU 81 1HB GLU 81 -13.592 -20.200 -1.881 617 HG2 GLU 81 2HG GLU 81 -14.344 -20.514 -4.075 618 HG3 GLU 81 1HG GLU 81 -15.705 -20.958 -3.046 619 H ASN 82 H ASN 82 -17.416 -20.572 -0.453 620 HA ASN 82 HA ASN 82 -17.991 -22.438 0.714 621 HB2 ASN 82 2HB ASN 82 -16.004 -23.237 -0.916 622 HB3 ASN 82 1HB ASN 82 -15.252 -23.579 0.640 623 HD21 ASN 82 1HD2 ASN 82 -15.913 -25.537 -1.234 624 HD22 ASN 82 2HD2 ASN 82 -17.148 -26.542 -0.564 625 H GLY 83 H GLY 83 -16.996 -20.132 2.141 626 HA2 GLY 83 2HA GLY 83 -16.728 -19.645 4.385 627 HA3 GLY 83 1HA GLY 83 -16.620 -21.370 4.708 628 H LYS 84 H LYS 84 -14.572 -19.693 2.410 629 HA LYS 84 HA LYS 84 -12.349 -19.672 4.301 630 HB2 LYS 84 2HB LYS 84 -12.615 -21.849 2.729 631 HB3 LYS 84 1HB LYS 84 -11.700 -20.811 1.643 632 HG2 LYS 84 2HG LYS 84 -9.972 -21.824 2.693 633 HG3 LYS 84 1HG LYS 84 -10.218 -20.489 3.822 634 HD2 LYS 84 2HD LYS 84 -11.778 -22.050 5.087 635 HD3 LYS 84 1HD LYS 84 -11.119 -23.348 4.087 636 HE2 LYS 84 2HE LYS 84 -9.704 -23.486 5.873 637 HE3 LYS 84 1HE LYS 84 -8.823 -22.318 4.890 638 HZ1 LYS 84 3HZ LYS 84 -9.048 -21.694 7.264 639 HZ2 LYS 84 1HZ LYS 84 -10.721 -21.563 7.043 640 HZ3 LYS 84 2HZ LYS 84 -9.673 -20.538 6.198 641 H THR 85 H THR 85 -11.596 -17.669 4.203 642 HA THR 85 HA THR 85 -11.995 -15.987 1.922 643 HB THR 85 HB THR 85 -10.541 -14.384 3.278 644 HG1 THR 85 1HG THR 85 -10.167 -14.989 5.413 645 HG21 THR 85 3HG2 THR 85 -12.939 -15.483 4.720 646 HG22 THR 85 1HG2 THR 85 -13.001 -14.332 3.385 647 HG23 THR 85 2HG2 THR 85 -12.229 -13.879 4.905 648 H THR 86 H THR 86 -10.692 -15.669 0.238 649 HA THR 86 HA THR 86 -8.052 -16.942 0.271 650 HB THR 86 HB THR 86 -9.497 -15.834 -2.134 651 HG1 THR 86 1HG THR 86 -10.216 -17.988 -2.450 652 HG21 THR 86 3HG2 THR 86 -7.763 -16.547 -3.295 653 HG22 THR 86 1HG2 THR 86 -8.000 -18.177 -2.668 654 HG23 THR 86 2HG2 THR 86 -6.964 -17.041 -1.803 655 H GLU 87 H GLU 87 -6.182 -15.836 -0.148 656 HA GLU 87 HA GLU 87 -6.382 -12.915 -0.006 657 HB2 GLU 87 2HB GLU 87 -3.867 -14.538 0.333 658 HB3 GLU 87 1HB GLU 87 -4.183 -12.898 0.878 659 HG2 GLU 87 2HG GLU 87 -5.361 -15.435 1.981 660 HG3 GLU 87 1HG GLU 87 -4.201 -14.364 2.766 661 H THR 88 H THR 88 -6.568 -12.125 -2.027 662 HA THR 88 HA THR 88 -4.546 -12.970 -3.999 663 HB THR 88 HB THR 88 -7.355 -11.966 -4.507 664 HG1 THR 88 1HG THR 88 -7.889 -13.987 -4.695 665 HG21 THR 88 3HG2 THR 88 -5.072 -12.455 -6.324 666 HG22 THR 88 1HG2 THR 88 -6.394 -11.293 -6.442 667 HG23 THR 88 2HG2 THR 88 -6.669 -12.988 -6.849 668 H VAL 89 H VAL 89 -3.104 -11.460 -4.480 669 HA VAL 89 HA VAL 89 -3.076 -8.879 -3.466 670 HB VAL 89 HB VAL 89 -1.073 -10.001 -4.338 671 HG11 VAL 89 1HG1 VAL 89 -2.259 -10.938 -6.364 672 HG12 VAL 89 2HG1 VAL 89 -0.640 -10.295 -6.645 673 HG13 VAL 89 3HG1 VAL 89 -2.057 -9.350 -7.106 674 HG21 VAL 89 3HG2 VAL 89 -0.005 -8.076 -5.239 675 HG22 VAL 89 1HG2 VAL 89 -1.229 -7.503 -4.106 676 HG23 VAL 89 2HG2 VAL 89 -1.533 -7.431 -5.842 677 H LEU 90 H LEU 90 -4.328 -7.192 -3.884 678 HA LEU 90 HA LEU 90 -5.629 -7.014 -6.513 679 HB2 LEU 90 2HB LEU 90 -6.713 -6.875 -3.990 680 HB3 LEU 90 1HB LEU 90 -6.555 -5.184 -4.424 681 HG LEU 90 HG LEU 90 -8.777 -6.159 -4.965 682 HD11 LEU 90 1HD1 LEU 90 -8.650 -5.438 -7.465 683 HD12 LEU 90 2HD1 LEU 90 -7.003 -4.965 -7.047 684 HD13 LEU 90 3HD1 LEU 90 -8.371 -4.252 -6.189 685 HD21 LEU 90 3HD2 LEU 90 -7.713 -7.544 -7.336 686 HD22 LEU 90 1HD2 LEU 90 -9.074 -7.956 -6.292 687 HD23 LEU 90 2HD2 LEU 90 -7.429 -8.344 -5.791 688 H ASP 91 H ASP 91 -4.354 -4.795 -4.018 689 HA ASP 91 HA ASP 91 -2.614 -3.433 -5.752 690 HB2 ASP 91 2HB ASP 91 -5.137 -2.774 -6.427 691 HB3 ASP 91 1HB ASP 91 -4.859 -1.587 -5.153 692 H SER 92 H SER 92 -1.285 -2.073 -4.631 693 HA SER 92 HA SER 92 -2.111 -1.123 -1.996 694 HB2 SER 92 2HB SER 92 -0.474 -2.110 -0.764 695 HB3 SER 92 1HB SER 92 -0.832 -3.406 -1.911 696 HG SER 92 HG SER 92 1.357 -1.618 -1.893 697 H GLN 93 H GLN 93 -0.972 0.601 -1.228 698 HA GLN 93 HA GLN 93 0.695 2.014 -3.188 699 HB2 GLN 93 2HB GLN 93 -1.369 2.909 -1.249 700 HB3 GLN 93 1HB GLN 93 0.039 3.945 -1.411 701 HG2 GLN 93 2HG GLN 93 -0.539 3.556 -3.999 702 HG3 GLN 93 1HG GLN 93 -2.149 3.387 -3.304 703 HE21 GLN 93 1HE2 GLN 93 -1.863 5.402 -4.968 704 HE22 GLN 93 2HE2 GLN 93 -1.763 6.916 -4.144 705 H VAL 94 H VAL 94 2.414 3.447 -2.031 706 HA VAL 94 HA VAL 94 3.786 1.673 -0.203 707 HB VAL 94 HB VAL 94 5.060 2.764 -1.992 708 HG11 VAL 94 1HG1 VAL 94 3.563 4.976 -1.468 709 HG12 VAL 94 2HG1 VAL 94 5.037 4.960 -2.436 710 HG13 VAL 94 3HG1 VAL 94 5.105 5.408 -0.732 711 HG21 VAL 94 3HG2 VAL 94 6.963 3.237 -0.736 712 HG22 VAL 94 1HG2 VAL 94 6.010 2.216 0.342 713 HG23 VAL 94 2HG2 VAL 94 6.034 3.965 0.575 714 H THR 95 H THR 95 3.140 1.709 1.819 715 HA THR 95 HA THR 95 2.629 4.310 3.089 716 HB THR 95 HB THR 95 1.100 3.230 4.569 717 HG1 THR 95 1HG THR 95 2.062 1.335 5.068 718 HG21 THR 95 3HG2 THR 95 -0.434 3.289 2.973 719 HG22 THR 95 1HG2 THR 95 -0.077 1.588 2.653 720 HG23 THR 95 2HG2 THR 95 0.743 2.855 1.734 721 H LYS 96 H LYS 96 4.821 4.553 3.411 722 HA LYS 96 HA LYS 96 6.252 4.805 5.318 723 HB2 LYS 96 2HB LYS 96 5.798 1.829 5.621 724 HB3 LYS 96 1HB LYS 96 7.011 2.734 6.510 725 HG2 LYS 96 2HG LYS 96 4.122 3.511 6.618 726 HG3 LYS 96 1HG LYS 96 4.778 2.247 7.660 727 HD2 LYS 96 2HD LYS 96 6.086 4.938 7.493 728 HD3 LYS 96 1HD LYS 96 4.696 4.673 8.546 729 HE2 LYS 96 2HE LYS 96 6.195 2.557 9.238 730 HE3 LYS 96 1HE LYS 96 7.471 3.678 8.769 731 HZ1 LYS 96 3HZ LYS 96 6.212 5.317 10.273 732 HZ2 LYS 96 1HZ LYS 96 7.165 4.122 11.000 733 HZ3 LYS 96 2HZ LYS 96 5.486 3.938 10.932 734 H GLU 97 H GLU 97 6.804 5.021 2.785 735 HA GLU 97 HA GLU 97 8.246 3.371 1.268 736 HB2 GLU 97 2HB GLU 97 7.853 5.889 0.980 737 HB3 GLU 97 1HB GLU 97 9.358 6.105 1.862 738 HG2 GLU 97 2HG GLU 97 10.292 6.060 -0.165 739 HG3 GLU 97 1HG GLU 97 10.119 4.313 -0.018 740 H VAL 98 H VAL 98 9.806 1.958 1.633 741 HA VAL 98 HA VAL 98 11.439 2.054 3.965 742 HB VAL 98 HB VAL 98 10.784 -0.086 2.968 743 HG11 VAL 98 1HG1 VAL 98 12.716 -0.193 0.837 744 HG12 VAL 98 2HG1 VAL 98 11.553 1.106 0.561 745 HG13 VAL 98 3HG1 VAL 98 10.987 -0.547 0.804 746 HG21 VAL 98 3HG2 VAL 98 13.689 -0.221 2.588 747 HG22 VAL 98 1HG2 VAL 98 12.644 -1.111 3.694 748 HG23 VAL 98 2HG2 VAL 98 13.165 0.523 4.099 749 H ILE 99 H ILE 99 12.905 3.580 4.159 750 HA ILE 99 HA ILE 99 14.250 4.852 2.030 751 HB ILE 99 HB ILE 99 15.172 4.706 4.902 752 HG12 ILE 99 2HG1 ILE 99 12.857 5.444 4.842 753 HG13 ILE 99 1HG1 ILE 99 13.900 6.817 5.200 754 HG21 ILE 99 1HG2 ILE 99 16.795 5.581 3.237 755 HG22 ILE 99 2HG2 ILE 99 16.315 6.768 4.450 756 HG23 ILE 99 3HG2 ILE 99 15.633 6.843 2.826 757 HD11 ILE 99 3HD1 ILE 99 12.917 7.909 3.553 758 HD12 ILE 99 1HD1 ILE 99 12.021 6.468 3.072 759 HD13 ILE 99 2HD1 ILE 99 13.632 6.766 2.416 760 H ASN 100 H ASN 100 15.853 4.147 0.800 761 HA ASN 100 HA ASN 100 17.414 1.832 1.680 762 HB2 ASN 100 2HB ASN 100 16.739 3.017 -0.978 763 HB3 ASN 100 1HB ASN 100 18.217 2.074 -0.827 764 HD21 ASN 100 1HD2 ASN 100 17.191 0.636 -2.346 765 HD22 ASN 100 2HD2 ASN 100 16.071 -0.549 -1.775 766 H GLN 101 H GLN 101 19.450 2.028 2.341 767 HA GLN 101 HA GLN 101 20.706 4.524 2.627 768 HB2 GLN 101 2HB GLN 101 21.091 2.228 3.849 769 HB3 GLN 101 1HB GLN 101 22.304 1.998 2.598 770 HG2 GLN 101 2HG GLN 101 22.482 4.610 3.847 771 HG3 GLN 101 1HG GLN 101 22.653 3.291 5.004 772 HE21 GLN 101 1HE2 GLN 101 24.673 2.746 5.338 773 HE22 GLN 101 2HE2 GLN 101 25.950 2.777 4.175 774 H VAL 102 H VAL 102 21.946 5.694 1.306 775 HA VAL 102 HA VAL 102 22.996 4.397 -1.125 776 HB VAL 102 HB VAL 102 22.741 6.701 -2.198 777 HG11 VAL 102 1HG1 VAL 102 20.047 5.598 -1.591 778 HG12 VAL 102 2HG1 VAL 102 21.231 4.549 -2.371 779 HG13 VAL 102 3HG1 VAL 102 20.755 6.065 -3.135 780 HG21 VAL 102 3HG2 VAL 102 20.980 7.056 0.219 781 HG22 VAL 102 1HG2 VAL 102 20.845 8.039 -1.239 782 HG23 VAL 102 2HG2 VAL 102 22.332 8.068 -0.291 783 H VAL 103 H VAL 103 25.109 4.170 -0.621 784 HA VAL 103 HA VAL 103 26.550 6.537 0.378 785 HB VAL 103 HB VAL 103 28.397 4.797 0.835 786 HG11 VAL 103 1HG1 VAL 103 26.898 3.994 2.913 787 HG12 VAL 103 2HG1 VAL 103 25.925 5.350 2.343 788 HG13 VAL 103 3HG1 VAL 103 27.612 5.603 2.791 789 HG21 VAL 103 3HG2 VAL 103 26.018 2.948 0.676 790 HG22 VAL 103 1HG2 VAL 103 27.642 2.522 1.220 791 HG23 VAL 103 2HG2 VAL 103 27.367 2.977 -0.461 792 H GLU 104 H GLU 104 27.687 7.614 -1.079 793 HA GLU 104 HA GLU 104 28.347 6.388 -3.625 794 HB2 GLU 104 2HB GLU 104 29.036 9.190 -2.758 795 HB3 GLU 104 1HB GLU 104 28.846 8.576 -4.394 796 HG2 GLU 104 2HG GLU 104 26.409 8.139 -3.735 797 HG3 GLU 104 1HG GLU 104 26.736 9.202 -2.368 798 H VAL 105 H VAL 105 30.141 5.216 -3.764 799 HA VAL 105 HA VAL 105 32.398 5.731 -2.014 800 HB VAL 105 HB VAL 105 32.187 3.648 -4.188 801 HG11 VAL 105 1HG1 VAL 105 34.010 4.021 -1.824 802 HG12 VAL 105 2HG1 VAL 105 34.443 3.906 -3.529 803 HG13 VAL 105 3HG1 VAL 105 33.848 2.483 -2.673 804 HG21 VAL 105 3HG2 VAL 105 30.390 3.094 -2.829 805 HG22 VAL 105 1HG2 VAL 105 31.197 3.649 -1.364 806 HG23 VAL 105 2HG2 VAL 105 31.705 2.147 -2.134 807 H GLY 106 H GLY 106 34.433 6.377 -2.655 808 HA2 GLY 106 2HA GLY 106 34.580 8.115 -4.892 809 HA3 GLY 106 1HA GLY 106 35.926 7.628 -3.874 810 H ALA 107 H ALA 107 34.551 7.405 -6.926 811 HA ALA 107 HA ALA 107 35.128 6.303 -8.831 812 HB1 ALA 107 1HB ALA 107 37.609 5.178 -7.679 813 HB2 ALA 107 2HB ALA 107 37.459 6.935 -7.690 814 HB3 ALA 107 3HB ALA 107 37.346 6.031 -9.200 815 HA PRO 108 HA PRO 108 33.806 2.122 -8.383 816 HB2 PRO 108 2HB PRO 108 34.771 0.975 -10.644 817 HB3 PRO 108 1HB PRO 108 33.414 2.105 -10.648 818 HG2 PRO 108 2HG PRO 108 36.296 2.606 -11.280 819 HG3 PRO 108 1HG PRO 108 34.848 3.188 -12.123 820 HD2 PRO 108 2HD PRO 108 36.247 4.732 -10.393 821 HD3 PRO 108 1HD PRO 108 34.490 4.883 -10.603 822 H VAL 109 H VAL 109 37.184 2.367 -9.494 823 HA VAL 109 HA VAL 109 38.067 0.653 -7.349 824 HB VAL 109 HB VAL 109 39.254 -0.915 -8.949 825 HG11 VAL 109 1HG1 VAL 109 37.448 -2.438 -9.011 826 HG12 VAL 109 2HG1 VAL 109 36.257 -1.139 -9.063 827 HG13 VAL 109 3HG1 VAL 109 37.184 -1.427 -7.589 828 HG21 VAL 109 3HG2 VAL 109 37.360 0.421 -10.860 829 HG22 VAL 109 1HG2 VAL 109 37.993 -1.199 -11.147 830 HG23 VAL 109 2HG2 VAL 109 39.096 0.171 -11.027 831 H THR 110 H THR 110 38.967 2.112 -10.467 832 HA THR 110 HA THR 110 41.721 2.349 -9.888 833 HB THR 110 HB THR 110 41.838 3.793 -11.818 834 HG1 THR 110 1HG THR 110 39.008 3.898 -11.766 835 HG21 THR 110 3HG2 THR 110 39.692 2.244 -12.959 836 HG22 THR 110 1HG2 THR 110 40.739 1.257 -11.938 837 HG23 THR 110 2HG2 THR 110 41.426 2.180 -13.274 838 H HIS 111 H HIS 111 41.632 3.161 -7.692 839 HA HIS 111 HA HIS 111 41.883 4.796 -6.131 840 HB2 HIS 111 2HB HIS 111 42.225 6.484 -8.614 841 HB3 HIS 111 1HB HIS 111 42.498 7.081 -6.980 842 HD1 HIS 111 1HD HIS 111 44.057 5.102 -9.680 843 HD2 HIS 111 2HD HIS 111 44.773 5.946 -5.675 844 HE1 HIS 111 1HE HIS 111 46.431 4.387 -9.256 845 HE2 HIS 111 2HE HIS 111 46.813 4.830 -6.805 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -13.333 -48.627 -3.920 2 H2 MET 1 2HT MET 1 -11.882 -49.505 -4.182 3 H3 MET 1 3HT MET 1 -12.519 -48.509 -5.425 4 HA MET 1 HA MET 1 -10.703 -47.418 -4.446 5 HB2 MET 1 2HB MET 1 -13.485 -46.452 -4.041 6 HB3 MET 1 1HB MET 1 -12.202 -45.518 -3.283 7 HG2 MET 1 2HG MET 1 -12.308 -44.451 -5.278 8 HG3 MET 1 1HG MET 1 -11.132 -45.698 -5.687 9 HE1 MET 1 2HE MET 1 -15.482 -45.303 -6.718 10 HE2 MET 1 3HE MET 1 -14.406 -44.199 -7.576 11 HE3 MET 1 1HE MET 1 -14.409 -44.235 -5.811 12 H GLY 2 H GLY 2 -9.336 -47.834 -2.837 13 HA2 GLY 2 2HA GLY 2 -9.869 -47.159 -0.161 14 HA3 GLY 2 1HA GLY 2 -10.048 -48.898 -0.336 15 H SER 3 H SER 3 -8.137 -47.758 1.332 16 HA SER 3 HA SER 3 -5.762 -48.990 0.291 17 HB2 SER 3 2HB SER 3 -5.745 -46.623 -0.657 18 HB3 SER 3 1HB SER 3 -5.537 -46.065 1.002 19 HG SER 3 HG SER 3 -3.682 -46.950 -0.668 20 H SER 4 H SER 4 -7.047 -46.807 2.783 21 HA SER 4 HA SER 4 -6.093 -48.612 4.844 22 HB2 SER 4 2HB SER 4 -4.366 -46.664 4.191 23 HB3 SER 4 1HB SER 4 -5.377 -45.766 5.324 24 HG SER 4 HG SER 4 -3.444 -47.454 5.895 25 H HIS 5 H HIS 5 -7.902 -48.952 5.951 26 HA HIS 5 HA HIS 5 -9.484 -46.614 6.782 27 HB2 HIS 5 2HB HIS 5 -10.386 -49.122 5.454 28 HB3 HIS 5 1HB HIS 5 -11.418 -48.454 6.714 29 HD1 HIS 5 1HD HIS 5 -13.291 -47.496 5.365 30 HD2 HIS 5 2HD HIS 5 -9.560 -46.334 3.950 31 HE1 HIS 5 1HE HIS 5 -13.750 -45.777 3.587 32 HE2 HIS 5 2HE HIS 5 -11.476 -45.025 2.807 33 H HIS 6 H HIS 6 -8.005 -46.891 8.663 34 HA HIS 6 HA HIS 6 -9.352 -48.055 10.828 35 HB2 HIS 6 2HB HIS 6 -8.193 -50.054 9.490 36 HB3 HIS 6 1HB HIS 6 -6.806 -49.554 10.452 37 HD1 HIS 6 1HD HIS 6 -7.660 -52.254 11.120 38 HD2 HIS 6 2HD HIS 6 -9.533 -48.953 12.812 39 HE1 HIS 6 1HE HIS 6 -8.750 -53.103 13.221 40 HE2 HIS 6 2HE HIS 6 -9.950 -51.108 14.182 41 H HIS 7 H HIS 7 -6.216 -47.088 9.526 42 HA HIS 7 HA HIS 7 -4.946 -46.448 11.934 43 HB2 HIS 7 2HB HIS 7 -4.048 -46.534 9.471 44 HB3 HIS 7 1HB HIS 7 -4.462 -44.824 9.463 45 HD1 HIS 7 1HD HIS 7 -3.571 -44.348 12.489 46 HD2 HIS 7 2HD HIS 7 -1.309 -46.129 9.493 47 HE1 HIS 7 1HE HIS 7 -1.175 -44.061 13.197 48 HE2 HIS 7 2HE HIS 7 0.178 -45.071 11.326 49 H HIS 8 H HIS 8 -6.396 -44.137 9.631 50 HA HIS 8 HA HIS 8 -7.772 -42.711 11.670 51 HB2 HIS 8 2HB HIS 8 -6.295 -40.557 10.935 52 HB3 HIS 8 1HB HIS 8 -6.004 -41.497 12.392 53 HD1 HIS 8 1HD HIS 8 -5.022 -42.820 9.018 54 HD2 HIS 8 2HD HIS 8 -3.258 -41.037 12.332 55 HE1 HIS 8 1HE HIS 8 -2.543 -43.068 8.675 56 HE2 HIS 8 2HE HIS 8 -1.500 -42.059 10.734 57 H HIS 9 H HIS 9 -6.173 -41.245 8.874 58 HA HIS 9 HA HIS 9 -6.988 -40.331 6.960 59 HB2 HIS 9 2HB HIS 9 -8.702 -42.726 7.366 60 HB3 HIS 9 1HB HIS 9 -9.255 -41.536 6.193 61 HD1 HIS 9 1HD HIS 9 -5.606 -42.276 6.653 62 HD2 HIS 9 2HD HIS 9 -8.682 -43.148 3.999 63 HE1 HIS 9 1HE HIS 9 -4.495 -43.327 4.659 64 HE2 HIS 9 2HE HIS 9 -6.366 -43.768 3.030 65 H SER 10 H SER 10 -8.622 -38.900 6.122 66 HA SER 10 HA SER 10 -9.773 -37.250 8.069 67 HB2 SER 10 2HB SER 10 -10.070 -37.470 5.089 68 HB3 SER 10 1HB SER 10 -11.105 -36.370 5.999 69 HG SER 10 HG SER 10 -9.456 -35.092 6.341 70 H SER 11 H SER 11 -11.237 -39.702 5.964 71 HA SER 11 HA SER 11 -13.210 -40.827 6.073 72 HB2 SER 11 2HB SER 11 -13.737 -40.081 8.895 73 HB3 SER 11 1HB SER 11 -13.763 -41.666 8.123 74 HG SER 11 HG SER 11 -11.610 -40.243 9.213 75 H GLY 12 H GLY 12 -15.594 -40.431 7.317 76 HA2 GLY 12 2HA GLY 12 -16.644 -38.206 5.883 77 HA3 GLY 12 1HA GLY 12 -17.538 -39.245 6.981 78 H LEU 13 H LEU 13 -18.394 -36.850 7.192 79 HA LEU 13 HA LEU 13 -17.247 -35.855 9.690 80 HB2 LEU 13 2HB LEU 13 -17.986 -33.962 7.470 81 HB3 LEU 13 1HB LEU 13 -17.184 -33.584 8.983 82 HG LEU 13 HG LEU 13 -15.347 -35.236 8.007 83 HD11 LEU 13 1HD1 LEU 13 -16.084 -35.938 5.977 84 HD12 LEU 13 2HD1 LEU 13 -15.279 -34.453 5.471 85 HD13 LEU 13 3HD1 LEU 13 -17.029 -34.478 5.688 86 HD21 LEU 13 3HD2 LEU 13 -15.759 -32.336 7.319 87 HD22 LEU 13 1HD2 LEU 13 -14.265 -33.209 6.975 88 HD23 LEU 13 2HD2 LEU 13 -14.810 -33.017 8.641 89 H VAL 14 H VAL 14 -18.821 -33.693 10.133 90 HA VAL 14 HA VAL 14 -21.585 -34.649 9.838 91 HB VAL 14 HB VAL 14 -21.994 -33.821 12.200 92 HG11 VAL 14 1HG1 VAL 14 -20.444 -36.274 11.499 93 HG12 VAL 14 2HG1 VAL 14 -22.127 -36.114 11.999 94 HG13 VAL 14 3HG1 VAL 14 -20.833 -35.940 13.185 95 HG21 VAL 14 3HG2 VAL 14 -19.509 -32.805 12.070 96 HG22 VAL 14 1HG2 VAL 14 -19.166 -34.343 12.864 97 HG23 VAL 14 2HG2 VAL 14 -20.314 -33.213 13.584 98 HA PRO 15 HA PRO 15 -21.372 -30.224 8.595 99 HB2 PRO 15 2HB PRO 15 -23.317 -30.410 6.713 100 HB3 PRO 15 1HB PRO 15 -21.631 -30.832 6.392 101 HG2 PRO 15 2HG PRO 15 -23.944 -32.624 7.027 102 HG3 PRO 15 1HG PRO 15 -22.669 -32.830 5.811 103 HD2 PRO 15 2HD PRO 15 -22.626 -34.107 8.200 104 HD3 PRO 15 1HD PRO 15 -21.146 -33.606 7.357 105 H ARG 16 H ARG 16 -24.072 -32.292 9.458 106 HA ARG 16 HA ARG 16 -26.056 -30.339 9.768 107 HB2 ARG 16 2HB ARG 16 -25.628 -33.018 11.080 108 HB3 ARG 16 1HB ARG 16 -27.029 -32.018 11.435 109 HG2 ARG 16 2HG ARG 16 -26.392 -32.653 8.597 110 HG3 ARG 16 1HG ARG 16 -27.138 -33.889 9.613 111 HD2 ARG 16 2HD ARG 16 -28.689 -31.757 10.206 112 HD3 ARG 16 1HD ARG 16 -28.253 -31.381 8.540 113 HE ARG 16 HE ARG 16 -29.066 -34.051 8.644 114 HH11 ARG 16 1HH1 ARG 16 -30.426 -30.864 9.064 115 HH12 ARG 16 2HH1 ARG 16 -32.012 -31.337 8.559 116 HH21 ARG 16 1HH2 ARG 16 -31.152 -34.675 7.978 117 HH22 ARG 16 2HH2 ARG 16 -32.426 -33.501 7.942 118 H GLY 17 H GLY 17 -26.291 -28.737 11.179 119 HA2 GLY 17 2HA GLY 17 -25.582 -28.956 13.930 120 HA3 GLY 17 1HA GLY 17 -24.403 -27.991 13.054 121 H SER 18 H SER 18 -24.882 -26.072 14.087 122 HA SER 18 HA SER 18 -27.321 -24.772 13.162 123 HB2 SER 18 2HB SER 18 -26.696 -25.393 16.002 124 HB3 SER 18 1HB SER 18 -27.360 -23.794 15.661 125 HG SER 18 HG SER 18 -28.505 -26.313 15.039 126 H HIS 19 H HIS 19 -24.511 -24.532 12.501 127 HA HIS 19 HA HIS 19 -24.141 -21.705 13.219 128 HB2 HIS 19 2HB HIS 19 -22.069 -23.895 13.228 129 HB3 HIS 19 1HB HIS 19 -21.634 -22.194 13.124 130 HD1 HIS 19 1HD HIS 19 -20.904 -21.395 15.336 131 HD2 HIS 19 2HD HIS 19 -24.036 -24.108 15.641 132 HE1 HIS 19 1HE HIS 19 -21.407 -21.566 17.794 133 HE2 HIS 19 2HE HIS 19 -23.247 -23.279 17.961 134 H MET 20 H MET 20 -23.219 -24.305 10.982 135 HA MET 20 HA MET 20 -23.283 -22.333 8.802 136 HB2 MET 20 2HB MET 20 -21.291 -24.594 8.897 137 HB3 MET 20 1HB MET 20 -21.322 -23.223 7.796 138 HG2 MET 20 2HG MET 20 -19.656 -22.593 9.217 139 HG3 MET 20 1HG MET 20 -21.046 -21.831 9.986 140 HE1 MET 20 3HE MET 20 -18.056 -23.204 10.414 141 HE2 MET 20 1HE MET 20 -18.003 -24.331 11.769 142 HE3 MET 20 2HE MET 20 -18.257 -22.610 12.063 143 H SER 21 H SER 21 -25.451 -23.166 8.502 144 HA SER 21 HA SER 21 -25.545 -25.868 7.346 145 HB2 SER 21 2HB SER 21 -27.880 -25.916 7.834 146 HB3 SER 21 1HB SER 21 -27.092 -25.268 9.273 147 HG SER 21 HG SER 21 -27.635 -23.159 8.460 148 H LEU 22 H LEU 22 -25.490 -25.967 5.209 149 HA LEU 22 HA LEU 22 -26.311 -23.643 3.636 150 HB2 LEU 22 2HB LEU 22 -24.559 -26.005 3.143 151 HB3 LEU 22 1HB LEU 22 -25.318 -25.228 1.768 152 HG LEU 22 HG LEU 22 -23.795 -23.555 3.719 153 HD11 LEU 22 1HD1 LEU 22 -22.622 -25.370 1.633 154 HD12 LEU 22 2HD1 LEU 22 -22.185 -25.228 3.336 155 HD13 LEU 22 3HD1 LEU 22 -21.791 -23.927 2.212 156 HD21 LEU 22 3HD2 LEU 22 -25.151 -22.559 1.890 157 HD22 LEU 22 1HD2 LEU 22 -24.114 -23.386 0.727 158 HD23 LEU 22 2HD2 LEU 22 -23.435 -22.161 1.798 159 H ASP 23 H ASP 23 -28.587 -24.028 4.024 160 HA ASP 23 HA ASP 23 -29.750 -25.638 1.944 161 HB2 ASP 23 2HB ASP 23 -29.368 -27.012 4.233 162 HB3 ASP 23 1HB ASP 23 -30.932 -26.284 4.587 163 H GLU 24 H GLU 24 -29.640 -22.841 2.717 164 HA GLU 24 HA GLU 24 -32.507 -22.344 3.183 165 HB2 GLU 24 2HB GLU 24 -30.526 -21.479 4.791 166 HB3 GLU 24 1HB GLU 24 -30.573 -20.146 3.645 167 HG2 GLU 24 2HG GLU 24 -32.128 -19.326 5.025 168 HG3 GLU 24 1HG GLU 24 -33.204 -20.437 4.178 169 H ASN 25 H ASN 25 -31.910 -22.919 0.660 170 HA ASN 25 HA ASN 25 -32.075 -22.176 -1.483 171 HB2 ASN 25 2HB ASN 25 -33.146 -19.851 0.072 172 HB3 ASN 25 1HB ASN 25 -32.898 -19.691 -1.664 173 HD21 ASN 25 1HD2 ASN 25 -35.387 -19.412 -0.702 174 HD22 ASN 25 2HD2 ASN 25 -36.362 -20.776 -1.119 175 H GLU 26 H GLU 26 -31.192 -20.532 -3.065 176 HA GLU 26 HA GLU 26 -28.485 -19.809 -2.209 177 HB2 GLU 26 2HB GLU 26 -29.743 -20.531 -4.808 178 HB3 GLU 26 1HB GLU 26 -28.380 -19.421 -4.850 179 HG2 GLU 26 2HG GLU 26 -26.896 -21.021 -4.354 180 HG3 GLU 26 1HG GLU 26 -27.966 -21.795 -3.186 181 H VAL 27 H VAL 27 -30.789 -18.192 -1.492 182 HA VAL 27 HA VAL 27 -30.276 -15.755 -3.061 183 HB VAL 27 HB VAL 27 -32.593 -16.247 -1.191 184 HG11 VAL 27 1HG1 VAL 27 -32.372 -14.214 -3.395 185 HG12 VAL 27 2HG1 VAL 27 -31.861 -13.880 -1.741 186 HG13 VAL 27 3HG1 VAL 27 -33.543 -14.282 -2.078 187 HG21 VAL 27 3HG2 VAL 27 -33.894 -16.450 -3.369 188 HG22 VAL 27 1HG2 VAL 27 -32.895 -17.829 -2.908 189 HG23 VAL 27 2HG2 VAL 27 -32.334 -16.709 -4.149 190 H ALA 28 H ALA 28 -28.312 -15.338 -1.896 191 HA ALA 28 HA ALA 28 -28.652 -14.603 0.925 192 HB1 ALA 28 1HB ALA 28 -26.411 -14.970 1.245 193 HB2 ALA 28 2HB ALA 28 -25.994 -14.570 -0.420 194 HB3 ALA 28 3HB ALA 28 -26.742 -16.123 -0.047 195 H ALA 29 H ALA 29 -27.050 -13.327 -1.999 196 HA ALA 29 HA ALA 29 -28.152 -10.732 -1.686 197 HB1 ALA 29 1HB ALA 29 -26.198 -11.073 0.107 198 HB2 ALA 29 2HB ALA 29 -26.528 -9.524 -0.669 199 HB3 ALA 29 3HB ALA 29 -25.229 -10.554 -1.274 200 H ASN 30 H ASN 30 -27.983 -9.595 -3.549 201 HA ASN 30 HA ASN 30 -26.513 -10.866 -5.729 202 HB2 ASN 30 2HB ASN 30 -28.670 -8.750 -5.688 203 HB3 ASN 30 1HB ASN 30 -27.842 -9.259 -7.157 204 HD21 ASN 30 1HD2 ASN 30 -30.400 -9.562 -7.308 205 HD22 ASN 30 2HD2 ASN 30 -30.903 -11.197 -7.072 206 H VAL 31 H VAL 31 -24.789 -9.693 -4.004 207 HA VAL 31 HA VAL 31 -24.176 -6.997 -4.424 208 HB VAL 31 HB VAL 31 -21.818 -7.677 -3.768 209 HG11 VAL 31 1HG1 VAL 31 -23.588 -8.834 -1.713 210 HG12 VAL 31 2HG1 VAL 31 -24.009 -7.216 -2.274 211 HG13 VAL 31 3HG1 VAL 31 -22.410 -7.527 -1.595 212 HG21 VAL 31 3HG2 VAL 31 -22.188 -10.042 -4.686 213 HG22 VAL 31 1HG2 VAL 31 -23.027 -10.357 -3.168 214 HG23 VAL 31 2HG2 VAL 31 -21.330 -9.879 -3.154 215 H GLU 32 H GLU 32 -21.854 -6.452 -5.377 216 HA GLU 32 HA GLU 32 -21.045 -7.838 -7.717 217 HB2 GLU 32 2HB GLU 32 -21.744 -6.236 -9.405 218 HB3 GLU 32 1HB GLU 32 -23.151 -6.879 -8.570 219 HG2 GLU 32 2HG GLU 32 -22.987 -4.784 -7.101 220 HG3 GLU 32 1HG GLU 32 -21.923 -4.158 -8.362 221 H THR 33 H THR 33 -19.790 -5.973 -9.172 222 HA THR 33 HA THR 33 -17.932 -4.665 -9.269 223 HB THR 33 HB THR 33 -18.335 -3.459 -6.598 224 HG1 THR 33 1HG THR 33 -20.439 -3.505 -6.956 225 HG21 THR 33 3HG2 THR 33 -17.323 -2.669 -9.158 226 HG22 THR 33 1HG2 THR 33 -17.175 -1.868 -7.594 227 HG23 THR 33 2HG2 THR 33 -18.575 -1.551 -8.618 228 H ARG 34 H ARG 34 -16.050 -3.833 -7.543 229 HA ARG 34 HA ARG 34 -14.648 -6.203 -6.925 230 HB2 ARG 34 2HB ARG 34 -14.165 -3.322 -6.776 231 HB3 ARG 34 1HB ARG 34 -13.370 -4.220 -5.490 232 HG2 ARG 34 2HG ARG 34 -11.763 -4.214 -7.130 233 HG3 ARG 34 1HG ARG 34 -12.564 -5.760 -7.419 234 HD2 ARG 34 2HD ARG 34 -13.469 -5.080 -9.381 235 HD3 ARG 34 1HD ARG 34 -13.680 -3.418 -8.832 236 HE ARG 34 HE ARG 34 -11.409 -4.518 -10.214 237 HH11 ARG 34 1HH1 ARG 34 -12.528 -1.962 -8.118 238 HH12 ARG 34 2HH1 ARG 34 -11.261 -0.871 -8.564 239 HH21 ARG 34 1HH2 ARG 34 -9.740 -3.084 -10.802 240 HH22 ARG 34 2HH2 ARG 34 -9.678 -1.507 -10.088 241 HA PRO 35 HA PRO 35 -16.063 -7.164 -2.857 242 HB2 PRO 35 2HB PRO 35 -13.838 -8.308 -1.799 243 HB3 PRO 35 1HB PRO 35 -14.845 -9.108 -3.012 244 HG2 PRO 35 2HG PRO 35 -12.272 -7.618 -3.370 245 HG3 PRO 35 1HG PRO 35 -12.787 -9.153 -4.094 246 HD2 PRO 35 2HD PRO 35 -12.896 -6.807 -5.436 247 HD3 PRO 35 1HD PRO 35 -14.073 -8.110 -5.699 248 H GLU 36 H GLU 36 -14.771 -7.195 -0.485 249 HA GLU 36 HA GLU 36 -14.518 -4.391 0.109 250 HB2 GLU 36 2HB GLU 36 -14.540 -6.913 1.732 251 HB3 GLU 36 1HB GLU 36 -13.998 -5.407 2.463 252 HG2 GLU 36 2HG GLU 36 -16.162 -5.199 3.002 253 HG3 GLU 36 1HG GLU 36 -16.304 -4.583 1.356 254 H LEU 37 H LEU 37 -12.693 -3.252 0.175 255 HA LEU 37 HA LEU 37 -10.176 -4.548 -0.311 256 HB2 LEU 37 2HB LEU 37 -10.792 -1.644 0.244 257 HB3 LEU 37 1HB LEU 37 -9.244 -2.266 -0.296 258 HG LEU 37 HG LEU 37 -11.831 -2.269 -1.853 259 HD11 LEU 37 1HD1 LEU 37 -10.595 -0.804 -3.376 260 HD12 LEU 37 2HD1 LEU 37 -9.210 -0.842 -2.285 261 HD13 LEU 37 3HD1 LEU 37 -10.725 -0.106 -1.762 262 HD21 LEU 37 3HD2 LEU 37 -9.132 -3.362 -2.639 263 HD22 LEU 37 1HD2 LEU 37 -10.558 -3.266 -3.672 264 HD23 LEU 37 2HD2 LEU 37 -10.560 -4.325 -2.261 265 H ILE 38 H ILE 38 -8.973 -5.419 1.199 266 HA ILE 38 HA ILE 38 -9.155 -4.420 3.949 267 HB ILE 38 HB ILE 38 -8.355 -6.486 4.737 268 HG12 ILE 38 2HG1 ILE 38 -7.830 -8.199 2.653 269 HG13 ILE 38 1HG1 ILE 38 -7.160 -6.680 2.068 270 HG21 ILE 38 1HG2 ILE 38 -10.689 -6.390 3.624 271 HG22 ILE 38 2HG2 ILE 38 -10.024 -7.954 4.098 272 HG23 ILE 38 3HG2 ILE 38 -9.967 -7.446 2.410 273 HD11 ILE 38 3HD1 ILE 38 -5.910 -8.482 3.720 274 HD12 ILE 38 1HD1 ILE 38 -6.442 -7.213 4.822 275 HD13 ILE 38 2HD1 ILE 38 -5.425 -6.810 3.439 276 H THR 39 H THR 39 -6.756 -5.014 5.040 277 HA THR 39 HA THR 39 -4.614 -4.092 3.306 278 HB THR 39 HB THR 39 -4.268 -2.225 5.225 279 HG1 THR 39 1HG THR 39 -7.072 -2.373 4.854 280 HG21 THR 39 3HG2 THR 39 -5.981 -1.878 2.774 281 HG22 THR 39 1HG2 THR 39 -4.230 -1.695 2.866 282 HG23 THR 39 2HG2 THR 39 -5.281 -0.569 3.726 283 H ARG 40 H ARG 40 -2.725 -4.798 3.910 284 HA ARG 40 HA ARG 40 -2.049 -5.344 6.677 285 HB2 ARG 40 2HB ARG 40 -1.501 -7.579 4.764 286 HB3 ARG 40 1HB ARG 40 -1.667 -7.627 6.512 287 HG2 ARG 40 2HG ARG 40 -4.003 -7.089 4.717 288 HG3 ARG 40 1HG ARG 40 -3.489 -8.727 5.120 289 HD2 ARG 40 2HD ARG 40 -3.820 -6.839 7.374 290 HD3 ARG 40 1HD ARG 40 -5.291 -7.358 6.556 291 HE ARG 40 HE ARG 40 -3.984 -9.682 7.003 292 HH11 ARG 40 1HH1 ARG 40 -4.881 -7.013 9.065 293 HH12 ARG 40 2HH1 ARG 40 -5.044 -7.998 10.481 294 HH21 ARG 40 1HH2 ARG 40 -4.199 -10.979 8.863 295 HH22 ARG 40 2HH2 ARG 40 -4.656 -10.250 10.366 296 H THR 41 H THR 41 -0.119 -4.338 6.849 297 HA THR 41 HA THR 41 1.414 -3.844 4.457 298 HB THR 41 HB THR 41 1.441 -1.975 5.815 299 HG1 THR 41 1HG THR 41 3.772 -3.287 6.738 300 HG21 THR 41 3HG2 THR 41 2.326 -2.389 8.316 301 HG22 THR 41 1HG2 THR 41 1.405 -3.871 8.057 302 HG23 THR 41 2HG2 THR 41 0.621 -2.301 7.871 303 H GLU 42 H GLU 42 3.185 -4.661 3.786 304 HA GLU 42 HA GLU 42 4.246 -7.011 5.164 305 HB2 GLU 42 2HB GLU 42 5.109 -6.176 2.426 306 HB3 GLU 42 1HB GLU 42 4.935 -7.795 3.093 307 HG2 GLU 42 2HG GLU 42 2.632 -5.982 2.417 308 HG3 GLU 42 1HG GLU 42 3.279 -7.217 1.336 309 H GLU 43 H GLU 43 6.330 -7.142 5.828 310 HA GLU 43 HA GLU 43 7.752 -4.740 6.311 311 HB2 GLU 43 2HB GLU 43 9.566 -6.242 7.116 312 HB3 GLU 43 1HB GLU 43 7.999 -6.604 7.829 313 HG2 GLU 43 2HG GLU 43 7.995 -8.254 5.675 314 HG3 GLU 43 1HG GLU 43 9.706 -8.231 6.095 315 H ILE 44 H ILE 44 8.140 -3.722 4.368 316 HA ILE 44 HA ILE 44 9.692 -5.117 2.327 317 HB ILE 44 HB ILE 44 8.465 -2.353 2.305 318 HG12 ILE 44 2HG1 ILE 44 7.475 -4.450 0.480 319 HG13 ILE 44 1HG1 ILE 44 7.149 -4.744 2.185 320 HG21 ILE 44 1HG2 ILE 44 10.321 -2.333 0.824 321 HG22 ILE 44 2HG2 ILE 44 8.877 -2.527 -0.171 322 HG23 ILE 44 3HG2 ILE 44 9.902 -3.920 0.173 323 HD11 ILE 44 3HD1 ILE 44 6.455 -2.074 1.768 324 HD12 ILE 44 1HD1 ILE 44 5.356 -3.453 1.966 325 HD13 ILE 44 2HD1 ILE 44 5.857 -2.945 0.353 326 HA PRO 45 HA PRO 45 13.229 -3.045 4.262 327 HB2 PRO 45 2HB PRO 45 15.092 -4.813 3.558 328 HB3 PRO 45 1HB PRO 45 13.899 -5.200 4.805 329 HG2 PRO 45 2HG PRO 45 13.954 -6.007 1.922 330 HG3 PRO 45 1HG PRO 45 13.558 -6.982 3.350 331 HD2 PRO 45 2HD PRO 45 11.691 -5.810 1.690 332 HD3 PRO 45 1HD PRO 45 11.394 -6.259 3.380 333 H PHE 46 H PHE 46 15.071 -1.961 3.508 334 HA PHE 46 HA PHE 46 14.934 -1.153 0.728 335 HB2 PHE 46 2HB PHE 46 16.434 0.624 1.357 336 HB3 PHE 46 1HB PHE 46 15.198 0.490 2.603 337 HD1 PHE 46 1HD PHE 46 15.746 -0.485 4.795 338 HD2 PHE 46 2HD PHE 46 18.726 0.174 1.829 339 HE1 PHE 46 1HE PHE 46 17.497 -0.726 6.506 340 HE2 PHE 46 2HE PHE 46 20.482 -0.064 3.535 341 HZ PHE 46 HZ PHE 46 19.869 -0.516 5.876 342 H GLU 47 H GLU 47 17.408 -0.530 -0.008 343 HA GLU 47 HA GLU 47 19.187 -2.786 0.418 344 HB2 GLU 47 2HB GLU 47 17.708 -2.279 -2.121 345 HB3 GLU 47 1HB GLU 47 19.377 -2.821 -2.233 346 HG2 GLU 47 2HG GLU 47 18.911 -4.856 -1.190 347 HG3 GLU 47 1HG GLU 47 17.373 -4.277 -0.551 348 H VAL 48 H VAL 48 20.884 -1.603 1.092 349 HA VAL 48 HA VAL 48 21.582 0.951 0.091 350 HB VAL 48 HB VAL 48 22.308 0.312 2.295 351 HG11 VAL 48 1HG1 VAL 48 22.784 -2.170 1.186 352 HG12 VAL 48 2HG1 VAL 48 23.168 -1.671 2.832 353 HG13 VAL 48 3HG1 VAL 48 24.397 -1.571 1.571 354 HG21 VAL 48 3HG2 VAL 48 24.948 0.290 0.963 355 HG22 VAL 48 1HG2 VAL 48 24.322 1.352 2.225 356 HG23 VAL 48 2HG2 VAL 48 23.868 1.620 0.543 357 H ILE 49 H ILE 49 23.183 1.589 -1.329 358 HA ILE 49 HA ILE 49 24.441 -0.527 -2.946 359 HB ILE 49 HB ILE 49 23.330 2.059 -4.045 360 HG12 ILE 49 2HG1 ILE 49 21.894 0.144 -5.277 361 HG13 ILE 49 1HG1 ILE 49 22.167 -0.655 -3.732 362 HG21 ILE 49 1HG2 ILE 49 25.161 1.407 -5.373 363 HG22 ILE 49 2HG2 ILE 49 23.730 0.843 -6.235 364 HG23 ILE 49 3HG2 ILE 49 24.707 -0.296 -5.307 365 HD11 ILE 49 3HD1 ILE 49 20.067 0.536 -3.720 366 HD12 ILE 49 1HD1 ILE 49 20.890 2.038 -4.140 367 HD13 ILE 49 2HD1 ILE 49 21.193 1.273 -2.580 368 H LYS 50 H LYS 50 26.415 0.094 -4.013 369 HA LYS 50 HA LYS 50 27.824 2.247 -2.582 370 HB2 LYS 50 2HB LYS 50 28.702 -0.407 -3.651 371 HB3 LYS 50 1HB LYS 50 29.876 0.895 -3.517 372 HG2 LYS 50 2HG LYS 50 30.093 -0.307 -1.531 373 HG3 LYS 50 1HG LYS 50 29.123 1.102 -1.092 374 HD2 LYS 50 2HD LYS 50 27.082 -0.297 -1.371 375 HD3 LYS 50 1HD LYS 50 28.127 -1.694 -1.634 376 HE2 LYS 50 2HE LYS 50 29.173 -0.794 0.659 377 HE3 LYS 50 1HE LYS 50 27.523 -0.206 0.853 378 HZ1 LYS 50 3HZ LYS 50 26.672 -2.336 0.845 379 HZ2 LYS 50 1HZ LYS 50 28.122 -2.546 1.691 380 HZ3 LYS 50 2HZ LYS 50 28.017 -3.002 0.065 381 H LYS 51 H LYS 51 27.609 4.013 -3.851 382 HA LYS 51 HA LYS 51 27.824 3.839 -6.724 383 HB2 LYS 51 2HB LYS 51 26.474 5.525 -5.108 384 HB3 LYS 51 1HB LYS 51 27.919 6.485 -5.392 385 HG2 LYS 51 2HG LYS 51 26.782 7.212 -7.180 386 HG3 LYS 51 1HG LYS 51 27.344 5.708 -7.913 387 HD2 LYS 51 2HD LYS 51 25.169 4.731 -6.815 388 HD3 LYS 51 1HD LYS 51 24.647 6.418 -6.852 389 HE2 LYS 51 2HE LYS 51 25.656 4.881 -9.242 390 HE3 LYS 51 1HE LYS 51 23.953 5.110 -8.848 391 HZ1 LYS 51 3HZ LYS 51 23.994 7.243 -9.526 392 HZ2 LYS 51 1HZ LYS 51 25.316 6.730 -10.449 393 HZ3 LYS 51 2HZ LYS 51 25.569 7.522 -8.977 394 H GLU 52 H GLU 52 29.315 5.325 -7.907 395 HA GLU 52 HA GLU 52 31.953 5.379 -6.596 396 HB2 GLU 52 2HB GLU 52 32.833 5.242 -8.991 397 HB3 GLU 52 1HB GLU 52 32.116 3.783 -8.318 398 HG2 GLU 52 2HG GLU 52 30.300 3.871 -9.694 399 HG3 GLU 52 1HG GLU 52 30.373 5.625 -9.864 400 H ASN 53 H ASN 53 32.501 7.391 -6.084 401 HA ASN 53 HA ASN 53 31.589 9.596 -7.789 402 HB2 ASN 53 2HB ASN 53 31.647 9.279 -5.008 403 HB3 ASN 53 1HB ASN 53 32.939 10.424 -5.361 404 HD21 ASN 53 1HD2 ASN 53 30.813 11.240 -3.912 405 HD22 ASN 53 2HD2 ASN 53 29.831 12.318 -4.836 406 HA PRO 54 HA PRO 54 35.938 9.339 -9.175 407 HB2 PRO 54 2HB PRO 54 35.526 10.805 -11.438 408 HB3 PRO 54 1HB PRO 54 35.226 9.067 -11.335 409 HG2 PRO 54 2HG PRO 54 33.290 11.341 -11.135 410 HG3 PRO 54 1HG PRO 54 33.122 9.800 -11.995 411 HD2 PRO 54 2HD PRO 54 31.966 10.239 -9.600 412 HD3 PRO 54 1HD PRO 54 32.575 8.640 -10.075 413 H ASN 55 H ASN 55 33.900 11.964 -8.325 414 HA ASN 55 HA ASN 55 36.069 13.912 -8.563 415 HB2 ASN 55 2HB ASN 55 34.362 15.595 -8.038 416 HB3 ASN 55 1HB ASN 55 33.865 14.591 -9.398 417 HD21 ASN 55 1HD2 ASN 55 32.187 16.156 -7.693 418 HD22 ASN 55 2HD2 ASN 55 31.094 15.068 -6.917 419 H LEU 56 H LEU 56 36.064 11.725 -6.573 420 HA LEU 56 HA LEU 56 36.026 13.342 -4.112 421 HB2 LEU 56 2HB LEU 56 35.096 10.639 -4.710 422 HB3 LEU 56 1HB LEU 56 36.138 10.703 -3.302 423 HG LEU 56 HG LEU 56 34.671 12.280 -2.212 424 HD11 LEU 56 1HD1 LEU 56 32.373 12.542 -3.572 425 HD12 LEU 56 2HD1 LEU 56 33.514 12.498 -4.917 426 HD13 LEU 56 3HD1 LEU 56 33.688 13.713 -3.651 427 HD21 LEU 56 3HD2 LEU 56 34.111 9.663 -2.615 428 HD22 LEU 56 1HD2 LEU 56 32.625 10.413 -3.198 429 HD23 LEU 56 2HD2 LEU 56 33.184 10.726 -1.555 430 HA PRO 57 HA PRO 57 40.302 12.372 -3.532 431 HB2 PRO 57 2HB PRO 57 40.277 11.893 -0.751 432 HB3 PRO 57 1HB PRO 57 40.448 13.453 -1.554 433 HG2 PRO 57 2HG PRO 57 38.279 12.623 0.022 434 HG3 PRO 57 1HG PRO 57 38.326 14.042 -1.035 435 HD2 PRO 57 2HD PRO 57 37.135 11.354 -1.517 436 HD3 PRO 57 1HD PRO 57 36.611 12.948 -2.102 437 H ALA 58 H ALA 58 38.593 9.942 -4.038 438 HA ALA 58 HA ALA 58 38.869 7.690 -4.167 439 HB1 ALA 58 1HB ALA 58 41.120 8.233 -4.895 440 HB2 ALA 58 2HB ALA 58 41.133 6.782 -3.893 441 HB3 ALA 58 3HB ALA 58 41.660 8.325 -3.219 442 H GLY 59 H GLY 59 38.139 6.112 -2.884 443 HA2 GLY 59 2HA GLY 59 37.529 4.981 -0.983 444 HA3 GLY 59 1HA GLY 59 39.103 5.437 -0.354 445 H GLN 60 H GLN 60 36.114 7.221 -1.132 446 HA GLN 60 HA GLN 60 36.295 8.464 1.532 447 HB2 GLN 60 2HB GLN 60 36.195 9.716 -0.880 448 HB3 GLN 60 1HB GLN 60 34.486 9.661 -0.469 449 HG2 GLN 60 2HG GLN 60 36.220 10.538 1.717 450 HG3 GLN 60 1HG GLN 60 36.229 11.597 0.307 451 HE21 GLN 60 1HE2 GLN 60 34.640 10.778 3.135 452 HE22 GLN 60 2HE2 GLN 60 33.172 11.648 2.873 453 H GLU 61 H GLU 61 34.701 8.170 2.968 454 HA GLU 61 HA GLU 61 32.279 6.764 2.050 455 HB2 GLU 61 2HB GLU 61 33.991 6.441 4.466 456 HB3 GLU 61 1HB GLU 61 32.264 6.173 4.646 457 HG2 GLU 61 2HG GLU 61 32.723 4.082 4.039 458 HG3 GLU 61 1HG GLU 61 32.808 4.734 2.404 459 H ASN 62 H ASN 62 30.574 8.058 2.011 460 HA ASN 62 HA ASN 62 29.998 9.739 4.317 461 HB2 ASN 62 2HB ASN 62 29.484 11.699 2.878 462 HB3 ASN 62 1HB ASN 62 31.193 11.273 2.868 463 HD21 ASN 62 1HD2 ASN 62 28.557 12.015 0.991 464 HD22 ASN 62 2HD2 ASN 62 29.145 11.462 -0.536 465 H ILE 63 H ILE 63 27.986 9.295 4.903 466 HA ILE 63 HA ILE 63 26.152 8.067 3.025 467 HB ILE 63 HB ILE 63 25.652 8.761 5.920 468 HG12 ILE 63 2HG1 ILE 63 26.723 6.212 4.688 469 HG13 ILE 63 1HG1 ILE 63 27.599 7.303 5.759 470 HG21 ILE 63 1HG2 ILE 63 23.817 7.284 5.820 471 HG22 ILE 63 2HG2 ILE 63 24.324 6.635 4.261 472 HG23 ILE 63 3HG2 ILE 63 23.702 8.281 4.370 473 HD11 ILE 63 3HD1 ILE 63 26.680 5.176 6.775 474 HD12 ILE 63 1HD1 ILE 63 25.085 5.910 6.607 475 HD13 ILE 63 2HD1 ILE 63 26.309 6.682 7.614 476 H ILE 64 H ILE 64 24.495 9.025 2.040 477 HA ILE 64 HA ILE 64 24.017 11.868 2.593 478 HB ILE 64 HB ILE 64 22.947 10.326 0.239 479 HG12 ILE 64 2HG1 ILE 64 25.060 11.748 -0.763 480 HG13 ILE 64 1HG1 ILE 64 25.698 11.222 0.791 481 HG21 ILE 64 1HG2 ILE 64 23.666 13.125 -0.095 482 HG22 ILE 64 2HG2 ILE 64 22.443 12.869 1.149 483 HG23 ILE 64 3HG2 ILE 64 22.170 12.285 -0.493 484 HD11 ILE 64 3HD1 ILE 64 24.504 8.956 -0.263 485 HD12 ILE 64 1HD1 ILE 64 26.229 9.319 -0.206 486 HD13 ILE 64 2HD1 ILE 64 25.289 9.729 -1.641 487 H THR 65 H THR 65 22.295 8.820 2.064 488 HA THR 65 HA THR 65 20.132 9.781 3.781 489 HB THR 65 HB THR 65 19.633 8.498 1.088 490 HG1 THR 65 1HG THR 65 19.243 11.181 1.919 491 HG21 THR 65 3HG2 THR 65 17.754 9.604 3.154 492 HG22 THR 65 1HG2 THR 65 17.841 7.950 2.549 493 HG23 THR 65 2HG2 THR 65 17.295 9.249 1.489 494 H ALA 66 H ALA 66 20.442 8.360 5.404 495 HA ALA 66 HA ALA 66 21.428 5.802 5.311 496 HB1 ALA 66 1HB ALA 66 19.516 7.126 7.197 497 HB2 ALA 66 2HB ALA 66 21.218 6.725 7.433 498 HB3 ALA 66 3HB ALA 66 20.003 5.446 7.424 499 H GLY 67 H GLY 67 20.302 3.725 5.700 500 HA2 GLY 67 2HA GLY 67 17.898 3.545 3.995 501 HA3 GLY 67 1HA GLY 67 19.101 2.270 4.157 502 H VAL 68 H VAL 68 16.045 2.893 4.879 503 HA VAL 68 HA VAL 68 16.123 1.200 7.267 504 HB VAL 68 HB VAL 68 14.321 3.614 7.075 505 HG11 VAL 68 1HG1 VAL 68 14.679 1.397 9.015 506 HG12 VAL 68 2HG1 VAL 68 13.214 2.243 8.518 507 HG13 VAL 68 3HG1 VAL 68 14.327 3.002 9.656 508 HG21 VAL 68 3HG2 VAL 68 16.428 4.572 7.366 509 HG22 VAL 68 1HG2 VAL 68 16.990 3.255 8.395 510 HG23 VAL 68 2HG2 VAL 68 15.813 4.414 9.012 511 H LYS 69 H LYS 69 14.615 -0.364 7.282 512 HA LYS 69 HA LYS 69 13.141 -0.919 4.942 513 HB2 LYS 69 2HB LYS 69 12.667 -2.119 7.671 514 HB3 LYS 69 1HB LYS 69 12.299 -2.838 6.109 515 HG2 LYS 69 2HG LYS 69 14.405 -3.557 5.793 516 HG3 LYS 69 1HG LYS 69 15.121 -2.122 6.530 517 HD2 LYS 69 2HD LYS 69 14.012 -3.231 8.706 518 HD3 LYS 69 1HD LYS 69 14.313 -4.689 7.757 519 HE2 LYS 69 2HE LYS 69 16.644 -4.184 7.598 520 HE3 LYS 69 1HE LYS 69 16.402 -2.590 8.310 521 HZ1 LYS 69 3HZ LYS 69 17.299 -4.152 9.917 522 HZ2 LYS 69 1HZ LYS 69 15.976 -5.182 9.695 523 HZ3 LYS 69 2HZ LYS 69 15.753 -3.653 10.380 524 H GLY 70 H GLY 70 11.374 0.097 4.278 525 HA2 GLY 70 2HA GLY 70 9.737 1.650 6.052 526 HA3 GLY 70 1HA GLY 70 9.454 1.380 4.337 527 H GLU 71 H GLU 71 7.280 0.875 4.434 528 HA GLU 71 HA GLU 71 6.591 -1.780 4.975 529 HB2 GLU 71 2HB GLU 71 6.280 0.120 7.217 530 HB3 GLU 71 1HB GLU 71 4.854 -0.843 6.857 531 HG2 GLU 71 2HG GLU 71 5.724 -2.625 7.836 532 HG3 GLU 71 1HG GLU 71 7.201 -2.500 6.881 533 H ARG 72 H ARG 72 5.297 -1.921 3.272 534 HA ARG 72 HA ARG 72 3.400 0.251 2.804 535 HB2 ARG 72 2HB ARG 72 3.709 0.013 0.612 536 HB3 ARG 72 1HB ARG 72 5.110 -0.942 1.025 537 HG2 ARG 72 2HG ARG 72 3.879 -2.975 0.726 538 HG3 ARG 72 1HG ARG 72 2.371 -2.082 0.534 539 HD2 ARG 72 2HD ARG 72 3.385 -2.874 -1.612 540 HD3 ARG 72 1HD ARG 72 3.094 -1.140 -1.530 541 HE ARG 72 HE ARG 72 5.654 -1.325 -0.746 542 HH11 ARG 72 1HH1 ARG 72 3.948 -2.664 -3.482 543 HH12 ARG 72 2HH1 ARG 72 5.342 -2.661 -4.507 544 HH21 ARG 72 1HH2 ARG 72 7.487 -1.321 -2.096 545 HH22 ARG 72 2HH2 ARG 72 7.350 -1.901 -3.722 546 H THR 73 H THR 73 1.321 -0.034 2.883 547 HA THR 73 HA THR 73 0.342 -2.418 4.133 548 HB THR 73 HB THR 73 -1.202 -0.061 3.061 549 HG1 THR 73 1HG THR 73 -0.562 0.937 4.775 550 HG21 THR 73 3HG2 THR 73 -2.117 -1.800 5.283 551 HG22 THR 73 1HG2 THR 73 -2.358 -2.311 3.611 552 HG23 THR 73 2HG2 THR 73 -3.046 -0.785 4.179 553 H HIS 74 H HIS 74 -0.836 -4.042 3.241 554 HA HIS 74 HA HIS 74 -1.100 -3.928 0.336 555 HB2 HIS 74 2HB HIS 74 -0.117 -6.015 2.140 556 HB3 HIS 74 1HB HIS 74 -1.147 -6.582 0.818 557 HD1 HIS 74 1HD HIS 74 1.845 -4.434 1.439 558 HD2 HIS 74 2HD HIS 74 0.103 -6.668 -1.587 559 HE1 HIS 74 1HE HIS 74 3.488 -4.369 -0.486 560 HE2 HIS 74 2HE HIS 74 2.235 -5.444 -2.388 561 H TYR 75 H TYR 75 -2.933 -3.909 -0.522 562 HA TYR 75 HA TYR 75 -5.281 -4.367 1.104 563 HB2 TYR 75 2HB TYR 75 -5.605 -3.440 -1.684 564 HB3 TYR 75 1HB TYR 75 -6.329 -2.826 -0.203 565 HD1 TYR 75 2HD TYR 75 -3.562 -2.419 1.217 566 HD2 TYR 75 1HD TYR 75 -5.077 -1.252 -2.584 567 HE1 TYR 75 2HE TYR 75 -1.972 -0.553 1.169 568 HE2 TYR 75 1HE TYR 75 -3.512 0.644 -2.619 569 HH TYR 75 HH TYR 75 -1.981 1.807 -0.006 570 H ILE 76 H ILE 76 -5.521 -6.513 1.241 571 HA ILE 76 HA ILE 76 -5.535 -8.193 -1.120 572 HB ILE 76 HB ILE 76 -6.071 -8.846 1.783 573 HG12 ILE 76 2HG1 ILE 76 -3.717 -10.058 1.120 574 HG13 ILE 76 1HG1 ILE 76 -3.621 -8.585 0.163 575 HG21 ILE 76 1HG2 ILE 76 -6.432 -10.398 -0.621 576 HG22 ILE 76 2HG2 ILE 76 -6.854 -10.791 1.044 577 HG23 ILE 76 3HG2 ILE 76 -5.236 -11.144 0.437 578 HD11 ILE 76 3HD1 ILE 76 -4.034 -8.758 3.137 579 HD12 ILE 76 1HD1 ILE 76 -3.988 -7.270 2.196 580 HD13 ILE 76 2HD1 ILE 76 -2.552 -8.286 2.304 581 H SER 77 H SER 77 -7.319 -9.267 -1.948 582 HA SER 77 HA SER 77 -9.899 -8.062 -1.299 583 HB2 SER 77 2HB SER 77 -10.642 -8.769 -3.416 584 HB3 SER 77 1HB SER 77 -8.958 -8.325 -3.689 585 HG SER 77 HG SER 77 -10.069 -10.913 -3.420 586 H VAL 78 H VAL 78 -11.143 -9.034 0.147 587 HA VAL 78 HA VAL 78 -10.755 -11.807 0.843 588 HB VAL 78 HB VAL 78 -12.687 -11.372 2.424 589 HG11 VAL 78 1HG1 VAL 78 -11.328 -10.166 3.993 590 HG12 VAL 78 2HG1 VAL 78 -10.346 -9.495 2.693 591 HG13 VAL 78 3HG1 VAL 78 -10.285 -11.222 3.041 592 HG21 VAL 78 3HG2 VAL 78 -12.336 -8.473 2.186 593 HG22 VAL 78 1HG2 VAL 78 -13.797 -9.421 2.466 594 HG23 VAL 78 2HG2 VAL 78 -13.181 -9.217 0.827 595 H LEU 79 H LEU 79 -11.517 -13.274 -0.553 596 HA LEU 79 HA LEU 79 -14.250 -12.908 -1.594 597 HB2 LEU 79 2HB LEU 79 -12.190 -13.070 -3.174 598 HB3 LEU 79 1HB LEU 79 -12.249 -14.783 -2.804 599 HG LEU 79 HG LEU 79 -13.398 -14.190 -4.919 600 HD11 LEU 79 1HD1 LEU 79 -15.476 -15.135 -2.988 601 HD12 LEU 79 2HD1 LEU 79 -14.043 -16.111 -3.312 602 HD13 LEU 79 3HD1 LEU 79 -15.138 -15.688 -4.628 603 HD21 LEU 79 3HD2 LEU 79 -15.398 -12.924 -4.951 604 HD22 LEU 79 1HD2 LEU 79 -14.218 -11.967 -4.055 605 HD23 LEU 79 2HD2 LEU 79 -15.469 -12.861 -3.190 606 H THR 80 H THR 80 -15.529 -13.965 -0.184 607 HA THR 80 HA THR 80 -14.795 -16.318 1.207 608 HB THR 80 HB THR 80 -17.639 -15.500 0.658 609 HG1 THR 80 1HG THR 80 -15.884 -14.348 2.563 610 HG21 THR 80 3HG2 THR 80 -16.252 -17.083 2.725 611 HG22 THR 80 1HG2 THR 80 -17.864 -17.269 2.038 612 HG23 THR 80 2HG2 THR 80 -17.565 -16.035 3.261 613 H GLU 81 H GLU 81 -14.073 -17.862 -0.253 614 HA GLU 81 HA GLU 81 -15.436 -18.663 -2.576 615 HB2 GLU 81 2HB GLU 81 -13.041 -19.173 -1.995 616 HB3 GLU 81 1HB GLU 81 -13.634 -20.391 -0.874 617 HG2 GLU 81 2HG GLU 81 -13.132 -21.621 -2.759 618 HG3 GLU 81 1HG GLU 81 -14.868 -21.356 -2.916 619 H ASN 82 H ASN 82 -17.612 -18.979 -2.181 620 HA ASN 82 HA ASN 82 -19.478 -20.209 -1.754 621 HB2 ASN 82 2HB ASN 82 -17.570 -22.107 -2.168 622 HB3 ASN 82 1HB ASN 82 -18.088 -22.510 -0.534 623 HD21 ASN 82 1HD2 ASN 82 -18.638 -24.460 -1.990 624 HD22 ASN 82 2HD2 ASN 82 -20.263 -24.506 -2.574 625 H GLY 83 H GLY 83 -17.288 -21.313 0.839 626 HA2 GLY 83 2HA GLY 83 -18.859 -19.810 2.790 627 HA3 GLY 83 1HA GLY 83 -18.851 -21.560 2.956 628 H LYS 84 H LYS 84 -16.144 -19.555 1.915 629 HA LYS 84 HA LYS 84 -14.861 -19.625 4.487 630 HB2 LYS 84 2HB LYS 84 -14.556 -21.923 3.120 631 HB3 LYS 84 1HB LYS 84 -13.231 -21.001 2.425 632 HG2 LYS 84 2HG LYS 84 -12.246 -20.673 4.587 633 HG3 LYS 84 1HG LYS 84 -13.640 -21.408 5.379 634 HD2 LYS 84 2HD LYS 84 -12.192 -22.996 3.323 635 HD3 LYS 84 1HD LYS 84 -11.427 -22.780 4.899 636 HE2 LYS 84 2HE LYS 84 -12.716 -24.820 4.900 637 HE3 LYS 84 1HE LYS 84 -13.468 -23.645 5.977 638 HZ1 LYS 84 3HZ LYS 84 -14.355 -23.953 3.175 639 HZ2 LYS 84 1HZ LYS 84 -15.188 -23.258 4.476 640 HZ3 LYS 84 2HZ LYS 84 -14.972 -24.935 4.407 641 H THR 85 H THR 85 -13.484 -17.962 4.674 642 HA THR 85 HA THR 85 -13.104 -16.225 2.403 643 HB THR 85 HB THR 85 -11.679 -15.675 4.944 644 HG1 THR 85 1HG THR 85 -13.372 -16.073 6.098 645 HG21 THR 85 3HG2 THR 85 -12.483 -13.457 4.650 646 HG22 THR 85 1HG2 THR 85 -13.607 -13.972 3.393 647 HG23 THR 85 2HG2 THR 85 -11.868 -14.022 3.097 648 H THR 86 H THR 86 -11.343 -16.037 1.168 649 HA THR 86 HA THR 86 -8.936 -17.538 1.970 650 HB THR 86 HB THR 86 -8.599 -17.331 -0.681 651 HG1 THR 86 1HG THR 86 -10.389 -16.515 -1.447 652 HG21 THR 86 3HG2 THR 86 -9.575 -19.383 1.062 653 HG22 THR 86 1HG2 THR 86 -8.590 -19.519 -0.393 654 HG23 THR 86 2HG2 THR 86 -10.349 -19.496 -0.518 655 H GLU 87 H GLU 87 -6.925 -16.600 1.683 656 HA GLU 87 HA GLU 87 -6.960 -13.689 1.466 657 HB2 GLU 87 2HB GLU 87 -4.691 -13.789 2.382 658 HB3 GLU 87 1HB GLU 87 -5.823 -14.675 3.395 659 HG2 GLU 87 2HG GLU 87 -4.924 -16.631 1.727 660 HG3 GLU 87 1HG GLU 87 -3.494 -15.617 1.903 661 H THR 88 H THR 88 -6.544 -12.762 -0.418 662 HA THR 88 HA THR 88 -4.437 -13.841 -2.124 663 HB THR 88 HB THR 88 -7.257 -13.302 -3.077 664 HG1 THR 88 1HG THR 88 -5.684 -15.660 -3.028 665 HG21 THR 88 3HG2 THR 88 -4.722 -13.667 -4.592 666 HG22 THR 88 1HG2 THR 88 -6.095 -12.609 -4.920 667 HG23 THR 88 2HG2 THR 88 -6.221 -14.340 -5.233 668 H VAL 89 H VAL 89 -3.106 -12.115 -1.946 669 HA VAL 89 HA VAL 89 -3.737 -9.455 -1.640 670 HB VAL 89 HB VAL 89 -1.409 -10.439 -3.289 671 HG11 VAL 89 1HG1 VAL 89 -1.855 -7.996 -3.282 672 HG12 VAL 89 2HG1 VAL 89 -0.304 -8.430 -2.566 673 HG13 VAL 89 3HG1 VAL 89 -1.665 -8.005 -1.529 674 HG21 VAL 89 3HG2 VAL 89 -1.900 -10.502 -0.347 675 HG22 VAL 89 1HG2 VAL 89 -0.264 -10.227 -0.948 676 HG23 VAL 89 2HG2 VAL 89 -1.129 -11.700 -1.384 677 H LEU 90 H LEU 90 -4.456 -7.839 -2.913 678 HA LEU 90 HA LEU 90 -4.936 -8.483 -5.743 679 HB2 LEU 90 2HB LEU 90 -6.766 -7.776 -3.865 680 HB3 LEU 90 1HB LEU 90 -6.377 -6.208 -4.548 681 HG LEU 90 HG LEU 90 -6.866 -7.229 -6.828 682 HD11 LEU 90 1HD1 LEU 90 -8.626 -9.218 -5.595 683 HD12 LEU 90 2HD1 LEU 90 -6.906 -9.589 -5.470 684 HD13 LEU 90 3HD1 LEU 90 -7.638 -9.320 -7.051 685 HD21 LEU 90 3HD2 LEU 90 -8.735 -6.446 -4.706 686 HD22 LEU 90 1HD2 LEU 90 -9.465 -7.331 -6.045 687 HD23 LEU 90 2HD2 LEU 90 -8.568 -5.844 -6.354 688 H ASP 91 H ASP 91 -4.612 -5.487 -3.818 689 HA ASP 91 HA ASP 91 -2.433 -4.616 -5.533 690 HB2 ASP 91 2HB ASP 91 -4.829 -2.812 -5.257 691 HB3 ASP 91 1HB ASP 91 -3.469 -2.662 -6.364 692 H SER 92 H SER 92 -1.093 -3.158 -4.596 693 HA SER 92 HA SER 92 -1.875 -1.831 -2.109 694 HB2 SER 92 2HB SER 92 -0.189 -2.659 -0.785 695 HB3 SER 92 1HB SER 92 -0.717 -4.101 -1.660 696 HG SER 92 HG SER 92 1.552 -2.489 -2.208 697 H GLN 93 H GLN 93 -0.362 -0.210 -1.460 698 HA GLN 93 HA GLN 93 1.318 0.818 -3.636 699 HB2 GLN 93 2HB GLN 93 -0.840 2.173 -2.108 700 HB3 GLN 93 1HB GLN 93 0.622 3.104 -2.386 701 HG2 GLN 93 2HG GLN 93 0.181 2.132 -4.861 702 HG3 GLN 93 1HG GLN 93 -1.472 2.250 -4.257 703 HE21 GLN 93 1HE2 GLN 93 1.017 3.883 -5.737 704 HE22 GLN 93 2HE2 GLN 93 0.454 5.501 -5.509 705 H VAL 94 H VAL 94 2.997 2.425 -2.687 706 HA VAL 94 HA VAL 94 4.142 1.081 -0.395 707 HB VAL 94 HB VAL 94 5.617 1.697 -2.250 708 HG11 VAL 94 1HG1 VAL 94 4.153 4.010 -2.379 709 HG12 VAL 94 2HG1 VAL 94 5.671 3.709 -3.225 710 HG13 VAL 94 3HG1 VAL 94 5.677 4.560 -1.682 711 HG21 VAL 94 3HG2 VAL 94 6.274 1.783 0.285 712 HG22 VAL 94 1HG2 VAL 94 6.459 3.508 -0.034 713 HG23 VAL 94 2HG2 VAL 94 7.403 2.335 -0.952 714 H THR 95 H THR 95 3.266 1.617 1.504 715 HA THR 95 HA THR 95 2.810 4.477 2.023 716 HB THR 95 HB THR 95 0.982 3.920 3.412 717 HG1 THR 95 1HG THR 95 1.320 2.272 4.658 718 HG21 THR 95 3HG2 THR 95 -0.307 3.474 1.669 719 HG22 THR 95 1HG2 THR 95 0.014 1.754 1.929 720 HG23 THR 95 2HG2 THR 95 1.018 2.691 0.813 721 H LYS 96 H LYS 96 4.997 4.630 2.583 722 HA LYS 96 HA LYS 96 5.676 5.015 5.126 723 HB2 LYS 96 2HB LYS 96 5.796 2.120 4.556 724 HB3 LYS 96 1HB LYS 96 7.212 2.782 5.354 725 HG2 LYS 96 2HG LYS 96 4.950 3.818 6.689 726 HG3 LYS 96 1HG LYS 96 4.689 2.085 6.474 727 HD2 LYS 96 2HD LYS 96 5.914 1.914 8.356 728 HD3 LYS 96 1HD LYS 96 7.282 2.116 7.259 729 HE2 LYS 96 2HE LYS 96 7.826 3.791 8.666 730 HE3 LYS 96 1HE LYS 96 6.648 4.695 7.715 731 HZ1 LYS 96 3HZ LYS 96 5.949 3.208 10.183 732 HZ2 LYS 96 1HZ LYS 96 4.992 4.325 9.345 733 HZ3 LYS 96 2HZ LYS 96 6.371 4.846 10.176 734 H GLU 97 H GLU 97 6.681 3.743 2.058 735 HA GLU 97 HA GLU 97 8.468 4.154 0.725 736 HB2 GLU 97 2HB GLU 97 7.820 6.554 1.664 737 HB3 GLU 97 1HB GLU 97 9.389 6.410 2.445 738 HG2 GLU 97 2HG GLU 97 10.134 7.336 0.548 739 HG3 GLU 97 1HG GLU 97 10.039 5.686 -0.065 740 H VAL 98 H VAL 98 9.793 2.435 1.020 741 HA VAL 98 HA VAL 98 11.315 2.033 3.399 742 HB VAL 98 HB VAL 98 10.702 0.110 2.063 743 HG11 VAL 98 1HG1 VAL 98 12.470 0.266 -0.144 744 HG12 VAL 98 2HG1 VAL 98 11.521 1.751 -0.113 745 HG13 VAL 98 3HG1 VAL 98 10.708 0.187 -0.155 746 HG21 VAL 98 3HG2 VAL 98 13.551 -0.032 1.499 747 HG22 VAL 98 1HG2 VAL 98 12.561 -0.999 2.590 748 HG23 VAL 98 2HG2 VAL 98 13.190 0.562 3.118 749 H ILE 99 H ILE 99 12.727 3.554 3.900 750 HA ILE 99 HA ILE 99 14.210 5.095 2.060 751 HB ILE 99 HB ILE 99 14.983 4.562 4.927 752 HG12 ILE 99 2HG1 ILE 99 13.688 6.944 4.989 753 HG13 ILE 99 1HG1 ILE 99 12.754 6.110 3.751 754 HG21 ILE 99 1HG2 ILE 99 15.391 7.156 3.535 755 HG22 ILE 99 2HG2 ILE 99 16.466 5.815 3.138 756 HG23 ILE 99 3HG2 ILE 99 16.348 6.389 4.802 757 HD11 ILE 99 3HD1 ILE 99 12.993 4.228 5.740 758 HD12 ILE 99 1HD1 ILE 99 11.590 5.248 5.428 759 HD13 ILE 99 2HD1 ILE 99 12.790 5.741 6.622 760 H ASN 100 H ASN 100 16.115 4.802 1.093 761 HA ASN 100 HA ASN 100 17.511 2.265 1.593 762 HB2 ASN 100 2HB ASN 100 17.150 3.972 -0.834 763 HB3 ASN 100 1HB ASN 100 18.584 2.957 -0.714 764 HD21 ASN 100 1HD2 ASN 100 18.257 1.293 -2.006 765 HD22 ASN 100 2HD2 ASN 100 16.846 0.297 -2.037 766 H GLN 101 H GLN 101 19.681 2.191 2.006 767 HA GLN 101 HA GLN 101 20.866 4.563 3.101 768 HB2 GLN 101 2HB GLN 101 21.144 1.895 3.607 769 HB3 GLN 101 1HB GLN 101 22.599 2.220 2.678 770 HG2 GLN 101 2HG GLN 101 22.424 4.308 4.518 771 HG3 GLN 101 1HG GLN 101 21.996 2.850 5.412 772 HE21 GLN 101 1HE2 GLN 101 24.439 4.733 5.115 773 HE22 GLN 101 2HE2 GLN 101 25.764 3.627 5.031 774 H VAL 102 H VAL 102 21.618 6.082 1.767 775 HA VAL 102 HA VAL 102 22.905 5.301 -0.739 776 HB VAL 102 HB VAL 102 22.283 8.095 0.213 777 HG11 VAL 102 1HG1 VAL 102 22.394 7.395 -2.652 778 HG12 VAL 102 2HG1 VAL 102 23.928 7.372 -1.780 779 HG13 VAL 102 3HG1 VAL 102 22.953 8.841 -1.812 780 HG21 VAL 102 3HG2 VAL 102 20.256 6.638 0.070 781 HG22 VAL 102 1HG2 VAL 102 20.618 6.400 -1.639 782 HG23 VAL 102 2HG2 VAL 102 20.245 8.014 -1.034 783 H VAL 103 H VAL 103 25.003 4.846 -0.555 784 HA VAL 103 HA VAL 103 26.700 6.743 0.925 785 HB VAL 103 HB VAL 103 27.195 3.767 0.801 786 HG11 VAL 103 1HG1 VAL 103 29.100 4.115 1.983 787 HG12 VAL 103 2HG1 VAL 103 28.452 5.521 2.827 788 HG13 VAL 103 3HG1 VAL 103 29.026 5.677 1.167 789 HG21 VAL 103 3HG2 VAL 103 25.589 5.392 2.656 790 HG22 VAL 103 1HG2 VAL 103 26.722 4.273 3.413 791 HG23 VAL 103 2HG2 VAL 103 25.504 3.671 2.288 792 H GLU 104 H GLU 104 27.972 7.751 -0.475 793 HA GLU 104 HA GLU 104 28.662 6.492 -3.006 794 HB2 GLU 104 2HB GLU 104 29.548 9.230 -2.133 795 HB3 GLU 104 1HB GLU 104 29.295 8.625 -3.765 796 HG2 GLU 104 2HG GLU 104 26.819 8.399 -2.490 797 HG3 GLU 104 1HG GLU 104 27.465 9.964 -2.003 798 H VAL 105 H VAL 105 30.697 5.912 -3.634 799 HA VAL 105 HA VAL 105 32.864 6.259 -1.672 800 HB VAL 105 HB VAL 105 32.444 3.748 -3.295 801 HG11 VAL 105 1HG1 VAL 105 34.093 3.754 -0.856 802 HG12 VAL 105 2HG1 VAL 105 34.739 4.670 -2.217 803 HG13 VAL 105 3HG1 VAL 105 34.360 2.958 -2.408 804 HG21 VAL 105 3HG2 VAL 105 30.647 4.097 -1.611 805 HG22 VAL 105 1HG2 VAL 105 31.888 4.144 -0.358 806 HG23 VAL 105 2HG2 VAL 105 31.643 2.674 -1.301 807 H GLY 106 H GLY 106 34.287 7.577 -2.616 808 HA2 GLY 106 2HA GLY 106 34.547 7.912 -5.414 809 HA3 GLY 106 1HA GLY 106 35.660 8.520 -4.198 810 H ALA 107 H ALA 107 35.659 6.825 -6.890 811 HA ALA 107 HA ALA 107 37.275 4.566 -6.072 812 HB1 ALA 107 1HB ALA 107 37.493 4.470 -8.713 813 HB2 ALA 107 2HB ALA 107 36.075 5.513 -8.614 814 HB3 ALA 107 3HB ALA 107 36.046 3.913 -7.873 815 HA PRO 108 HA PRO 108 41.220 6.499 -6.478 816 HB2 PRO 108 2HB PRO 108 42.751 4.413 -7.291 817 HB3 PRO 108 1HB PRO 108 42.128 4.557 -5.644 818 HG2 PRO 108 2HG PRO 108 41.078 2.936 -7.932 819 HG3 PRO 108 1HG PRO 108 41.263 2.478 -6.229 820 HD2 PRO 108 2HD PRO 108 38.886 3.227 -7.287 821 HD3 PRO 108 1HD PRO 108 39.324 3.554 -5.599 822 H VAL 109 H VAL 109 40.292 4.415 -9.205 823 HA VAL 109 HA VAL 109 42.075 5.514 -11.086 824 HB VAL 109 HB VAL 109 39.380 4.281 -11.675 825 HG11 VAL 109 1HG1 VAL 109 40.772 3.530 -13.740 826 HG12 VAL 109 2HG1 VAL 109 41.811 4.887 -13.306 827 HG13 VAL 109 3HG1 VAL 109 40.110 5.162 -13.682 828 HG21 VAL 109 3HG2 VAL 109 40.185 2.216 -11.284 829 HG22 VAL 109 1HG2 VAL 109 41.330 3.059 -10.240 830 HG23 VAL 109 2HG2 VAL 109 41.795 2.618 -11.883 831 H THR 110 H THR 110 41.986 7.778 -10.859 832 HA THR 110 HA THR 110 40.281 9.109 -12.644 833 HB THR 110 HB THR 110 38.578 8.733 -10.918 834 HG1 THR 110 1HG THR 110 38.713 10.762 -12.140 835 HG21 THR 110 3HG2 THR 110 38.679 9.533 -8.738 836 HG22 THR 110 1HG2 THR 110 40.091 10.535 -9.071 837 HG23 THR 110 2HG2 THR 110 40.254 8.781 -8.992 838 H HIS 111 H HIS 111 41.390 10.819 -13.323 839 HA HIS 111 HA HIS 111 43.113 12.246 -11.418 840 HB2 HIS 111 2HB HIS 111 44.861 12.425 -13.166 841 HB3 HIS 111 1HB HIS 111 44.575 10.762 -12.667 842 HD1 HIS 111 1HD HIS 111 43.415 9.192 -14.394 843 HD2 HIS 111 2HD HIS 111 44.266 13.000 -15.821 844 HE1 HIS 111 1HE HIS 111 43.151 9.049 -16.892 845 HE2 HIS 111 2HE HIS 111 43.753 11.343 -17.741 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -30.065 -23.713 8.126 2 H2 MET 1 2HT MET 1 -30.483 -24.882 9.310 3 H3 MET 1 3HT MET 1 -31.022 -23.261 9.474 4 HA MET 1 HA MET 1 -31.826 -25.236 7.450 5 HB2 MET 1 2HB MET 1 -32.715 -25.142 9.908 6 HB3 MET 1 1HB MET 1 -33.595 -23.727 9.345 7 HG2 MET 1 2HG MET 1 -34.235 -25.460 7.401 8 HG3 MET 1 1HG MET 1 -34.004 -26.581 8.742 9 HE1 MET 1 2HE MET 1 -36.978 -26.279 10.877 10 HE2 MET 1 3HE MET 1 -35.273 -26.720 10.787 11 HE3 MET 1 1HE MET 1 -36.422 -27.397 9.631 12 H GLY 2 H GLY 2 -31.403 -24.023 5.608 13 HA2 GLY 2 2HA GLY 2 -31.847 -22.480 3.969 14 HA3 GLY 2 1HA GLY 2 -33.366 -22.189 4.801 15 H SER 3 H SER 3 -30.167 -21.680 6.175 16 HA SER 3 HA SER 3 -29.146 -19.827 7.009 17 HB2 SER 3 2HB SER 3 -28.948 -17.977 5.587 18 HB3 SER 3 1HB SER 3 -29.337 -19.289 4.474 19 HG SER 3 HG SER 3 -30.621 -17.466 4.056 20 H SER 4 H SER 4 -29.581 -17.534 7.880 21 HA SER 4 HA SER 4 -32.010 -17.690 9.461 22 HB2 SER 4 2HB SER 4 -31.035 -16.017 10.858 23 HB3 SER 4 1HB SER 4 -29.731 -17.122 10.426 24 HG SER 4 HG SER 4 -29.832 -14.513 10.045 25 H HIS 5 H HIS 5 -32.615 -15.090 9.985 26 HA HIS 5 HA HIS 5 -34.275 -14.380 7.845 27 HB2 HIS 5 2HB HIS 5 -34.130 -13.660 10.455 28 HB3 HIS 5 1HB HIS 5 -33.490 -12.208 9.692 29 HD1 HIS 5 1HD HIS 5 -35.246 -10.540 9.252 30 HD2 HIS 5 2HD HIS 5 -36.722 -14.417 9.012 31 HE1 HIS 5 1HE HIS 5 -37.695 -10.296 8.731 32 HE2 HIS 5 2HE HIS 5 -38.584 -12.651 8.678 33 H HIS 6 H HIS 6 -34.071 -11.704 7.402 34 HA HIS 6 HA HIS 6 -32.184 -11.545 5.338 35 HB2 HIS 6 2HB HIS 6 -34.361 -10.083 6.045 36 HB3 HIS 6 1HB HIS 6 -33.068 -8.982 6.510 37 HD1 HIS 6 1HD HIS 6 -33.901 -7.402 4.570 38 HD2 HIS 6 2HD HIS 6 -32.378 -11.066 3.336 39 HE1 HIS 6 1HE HIS 6 -33.484 -7.161 2.103 40 HE2 HIS 6 2HE HIS 6 -32.643 -9.416 1.361 41 H HIS 7 H HIS 7 -30.091 -11.900 5.923 42 HA HIS 7 HA HIS 7 -28.871 -10.700 8.203 43 HB2 HIS 7 2HB HIS 7 -28.228 -12.819 6.665 44 HB3 HIS 7 1HB HIS 7 -27.150 -11.613 5.968 45 HD1 HIS 7 1HD HIS 7 -28.007 -12.988 9.412 46 HD2 HIS 7 2HD HIS 7 -24.810 -11.370 7.309 47 HE1 HIS 7 1HE HIS 7 -26.036 -13.138 10.966 48 HE2 HIS 7 2HE HIS 7 -24.132 -12.076 9.703 49 H HIS 8 H HIS 8 -28.017 -10.278 4.764 50 HA HIS 8 HA HIS 8 -26.817 -7.721 5.317 51 HB2 HIS 8 2HB HIS 8 -26.389 -9.637 3.411 52 HB3 HIS 8 1HB HIS 8 -27.291 -8.429 2.500 53 HD1 HIS 8 1HD HIS 8 -25.789 -6.199 4.537 54 HD2 HIS 8 2HD HIS 8 -24.169 -8.824 1.752 55 HE1 HIS 8 1HE HIS 8 -23.554 -5.226 3.917 56 HE2 HIS 8 2HE HIS 8 -22.631 -6.786 2.168 57 H HIS 9 H HIS 9 -27.394 -6.067 3.325 58 HA HIS 9 HA HIS 9 -30.086 -5.809 2.576 59 HB2 HIS 9 2HB HIS 9 -29.973 -5.378 5.210 60 HB3 HIS 9 1HB HIS 9 -29.525 -3.764 4.667 61 HD1 HIS 9 1HD HIS 9 -31.325 -2.546 3.098 62 HD2 HIS 9 2HD HIS 9 -32.648 -5.937 5.101 63 HE1 HIS 9 1HE HIS 9 -33.835 -2.449 2.997 64 HE2 HIS 9 2HE HIS 9 -34.615 -4.466 4.289 65 H SER 10 H SER 10 -27.522 -5.476 1.421 66 HA SER 10 HA SER 10 -26.887 -2.702 1.175 67 HB2 SER 10 2HB SER 10 -25.660 -3.732 -0.964 68 HB3 SER 10 1HB SER 10 -25.026 -3.944 0.668 69 HG SER 10 HG SER 10 -25.613 -5.999 0.651 70 H SER 11 H SER 11 -26.900 -1.567 -0.950 71 HA SER 11 HA SER 11 -29.537 -1.857 -2.164 72 HB2 SER 11 2HB SER 11 -28.669 0.370 -1.323 73 HB3 SER 11 1HB SER 11 -27.519 0.337 -2.659 74 HG SER 11 HG SER 11 -29.953 1.233 -2.743 75 H GLY 12 H GLY 12 -29.204 -0.796 -4.643 76 HA2 GLY 12 2HA GLY 12 -27.062 -1.831 -6.152 77 HA3 GLY 12 1HA GLY 12 -28.380 -2.994 -6.173 78 H LEU 13 H LEU 13 -29.243 -2.847 -8.147 79 HA LEU 13 HA LEU 13 -30.185 -0.203 -9.018 80 HB2 LEU 13 2HB LEU 13 -29.719 -1.033 -11.392 81 HB3 LEU 13 1HB LEU 13 -28.355 -0.499 -10.430 82 HG LEU 13 HG LEU 13 -28.212 -3.085 -9.842 83 HD11 LEU 13 1HD1 LEU 13 -28.665 -4.133 -12.255 84 HD12 LEU 13 2HD1 LEU 13 -29.949 -2.923 -12.229 85 HD13 LEU 13 3HD1 LEU 13 -29.866 -4.149 -10.963 86 HD21 LEU 13 3HD2 LEU 13 -26.386 -3.165 -11.218 87 HD22 LEU 13 1HD2 LEU 13 -26.656 -1.422 -11.162 88 HD23 LEU 13 2HD2 LEU 13 -27.213 -2.356 -12.550 89 H VAL 14 H VAL 14 -32.247 -0.142 -9.690 90 HA VAL 14 HA VAL 14 -33.585 -2.557 -10.597 91 HB VAL 14 HB VAL 14 -35.510 -2.120 -9.000 92 HG11 VAL 14 1HG1 VAL 14 -34.421 -3.363 -7.141 93 HG12 VAL 14 2HG1 VAL 14 -32.869 -3.111 -7.940 94 HG13 VAL 14 3HG1 VAL 14 -34.126 -4.061 -8.734 95 HG21 VAL 14 3HG2 VAL 14 -34.671 -1.103 -6.792 96 HG22 VAL 14 1HG2 VAL 14 -35.093 -0.006 -8.106 97 HG23 VAL 14 2HG2 VAL 14 -33.401 -0.375 -7.775 98 HA PRO 15 HA PRO 15 -34.965 1.191 -12.883 99 HB2 PRO 15 2HB PRO 15 -35.280 -0.088 -15.257 100 HB3 PRO 15 1HB PRO 15 -33.724 0.538 -14.704 101 HG2 PRO 15 2HG PRO 15 -34.791 -2.258 -14.590 102 HG3 PRO 15 1HG PRO 15 -33.169 -1.695 -15.041 103 HD2 PRO 15 2HD PRO 15 -33.730 -2.708 -12.594 104 HD3 PRO 15 1HD PRO 15 -32.509 -1.444 -12.846 105 H ARG 16 H ARG 16 -36.910 1.228 -14.572 106 HA ARG 16 HA ARG 16 -39.216 0.466 -13.110 107 HB2 ARG 16 2HB ARG 16 -38.890 1.512 -15.926 108 HB3 ARG 16 1HB ARG 16 -40.448 1.273 -15.145 109 HG2 ARG 16 2HG ARG 16 -40.226 3.419 -14.561 110 HG3 ARG 16 1HG ARG 16 -39.177 2.783 -13.293 111 HD2 ARG 16 2HD ARG 16 -38.182 4.679 -14.551 112 HD3 ARG 16 1HD ARG 16 -37.221 3.203 -14.614 113 HE ARG 16 HE ARG 16 -39.025 3.503 -16.832 114 HH11 ARG 16 1HH1 ARG 16 -35.860 4.295 -15.591 115 HH12 ARG 16 2HH1 ARG 16 -35.166 4.533 -17.161 116 HH21 ARG 16 1HH2 ARG 16 -38.114 3.815 -18.897 117 HH22 ARG 16 2HH2 ARG 16 -36.446 4.261 -19.038 118 H GLY 17 H GLY 17 -38.586 -0.371 -16.512 119 HA2 GLY 17 2HA GLY 17 -38.988 -2.297 -17.694 120 HA3 GLY 17 1HA GLY 17 -38.600 -3.155 -16.210 121 H SER 18 H SER 18 -40.230 -3.959 -14.935 122 HA SER 18 HA SER 18 -42.284 -4.795 -14.437 123 HB2 SER 18 2HB SER 18 -43.732 -2.596 -15.813 124 HB3 SER 18 1HB SER 18 -43.960 -3.256 -14.195 125 HG SER 18 HG SER 18 -42.346 -1.191 -15.054 126 H HIS 19 H HIS 19 -41.023 -5.465 -16.982 127 HA HIS 19 HA HIS 19 -43.079 -6.984 -18.130 128 HB2 HIS 19 2HB HIS 19 -43.364 -4.413 -18.940 129 HB3 HIS 19 1HB HIS 19 -42.284 -5.016 -20.191 130 HD1 HIS 19 1HD HIS 19 -44.044 -4.965 -22.037 131 HD2 HIS 19 2HD HIS 19 -45.139 -7.288 -18.770 132 HE1 HIS 19 1HE HIS 19 -46.076 -6.251 -22.777 133 HE2 HIS 19 2HE HIS 19 -46.668 -7.713 -20.812 134 H MET 20 H MET 20 -40.383 -5.165 -19.596 135 HA MET 20 HA MET 20 -38.483 -5.845 -20.644 136 HB2 MET 20 2HB MET 20 -38.842 -7.978 -18.567 137 HB3 MET 20 1HB MET 20 -37.540 -8.101 -19.741 138 HG2 MET 20 2HG MET 20 -37.981 -5.809 -17.842 139 HG3 MET 20 1HG MET 20 -36.792 -7.096 -17.651 140 HE1 MET 20 3HE MET 20 -34.443 -6.444 -20.732 141 HE2 MET 20 1HE MET 20 -35.769 -7.584 -20.510 142 HE3 MET 20 2HE MET 20 -34.591 -7.339 -19.219 143 H SER 21 H SER 21 -37.482 -7.983 -21.746 144 HA SER 21 HA SER 21 -39.668 -9.110 -23.369 145 HB2 SER 21 2HB SER 21 -37.589 -9.472 -24.995 146 HB3 SER 21 1HB SER 21 -38.469 -7.943 -24.947 147 HG SER 21 HG SER 21 -36.566 -7.148 -24.536 148 H LEU 22 H LEU 22 -39.488 -11.290 -24.069 149 HA LEU 22 HA LEU 22 -38.626 -13.087 -22.099 150 HB2 LEU 22 2HB LEU 22 -40.291 -13.279 -24.190 151 HB3 LEU 22 1HB LEU 22 -38.886 -14.062 -24.888 152 HG LEU 22 HG LEU 22 -40.366 -15.723 -23.941 153 HD11 LEU 22 1HD1 LEU 22 -37.827 -15.897 -23.744 154 HD12 LEU 22 2HD1 LEU 22 -38.797 -16.955 -22.719 155 HD13 LEU 22 3HD1 LEU 22 -38.055 -15.506 -22.040 156 HD21 LEU 22 3HD2 LEU 22 -39.951 -14.447 -21.249 157 HD22 LEU 22 1HD2 LEU 22 -41.042 -15.767 -21.673 158 HD23 LEU 22 2HD2 LEU 22 -41.365 -14.133 -22.254 159 H ASP 23 H ASP 23 -36.439 -12.598 -21.666 160 HA ASP 23 HA ASP 23 -34.584 -14.125 -23.229 161 HB2 ASP 23 2HB ASP 23 -34.873 -11.616 -24.175 162 HB3 ASP 23 1HB ASP 23 -33.646 -11.329 -22.944 163 H GLU 24 H GLU 24 -32.210 -13.421 -22.313 164 HA GLU 24 HA GLU 24 -32.397 -14.012 -19.491 165 HB2 GLU 24 2HB GLU 24 -30.165 -13.894 -21.490 166 HB3 GLU 24 1HB GLU 24 -29.800 -13.919 -19.769 167 HG2 GLU 24 2HG GLU 24 -31.713 -15.961 -20.613 168 HG3 GLU 24 1HG GLU 24 -30.118 -16.112 -21.349 169 H ASN 25 H ASN 25 -30.197 -11.749 -21.127 170 HA ASN 25 HA ASN 25 -29.490 -9.656 -20.589 171 HB2 ASN 25 2HB ASN 25 -31.936 -9.190 -20.959 172 HB3 ASN 25 1HB ASN 25 -32.167 -9.343 -19.220 173 HD21 ASN 25 1HD2 ASN 25 -29.767 -7.761 -21.304 174 HD22 ASN 25 2HD2 ASN 25 -29.880 -6.212 -20.546 175 H GLU 26 H GLU 26 -28.968 -11.865 -18.763 176 HA GLU 26 HA GLU 26 -27.855 -10.394 -16.615 177 HB2 GLU 26 2HB GLU 26 -30.462 -11.745 -16.182 178 HB3 GLU 26 1HB GLU 26 -29.249 -11.949 -14.926 179 HG2 GLU 26 2HG GLU 26 -29.076 -9.311 -15.230 180 HG3 GLU 26 1HG GLU 26 -30.744 -9.538 -15.751 181 H VAL 27 H VAL 27 -26.681 -11.792 -15.086 182 HA VAL 27 HA VAL 27 -25.847 -14.276 -16.417 183 HB VAL 27 HB VAL 27 -24.356 -12.768 -14.269 184 HG11 VAL 27 1HG1 VAL 27 -22.447 -14.086 -15.469 185 HG12 VAL 27 2HG1 VAL 27 -23.766 -15.135 -15.986 186 HG13 VAL 27 3HG1 VAL 27 -23.459 -14.887 -14.267 187 HG21 VAL 27 3HG2 VAL 27 -24.130 -11.206 -15.887 188 HG22 VAL 27 1HG2 VAL 27 -24.532 -12.333 -17.182 189 HG23 VAL 27 2HG2 VAL 27 -22.909 -12.326 -16.493 190 H ALA 28 H ALA 28 -25.952 -16.214 -15.409 191 HA ALA 28 HA ALA 28 -27.357 -16.289 -12.844 192 HB1 ALA 28 1HB ALA 28 -28.224 -18.300 -13.457 193 HB2 ALA 28 2HB ALA 28 -26.779 -18.781 -14.345 194 HB3 ALA 28 3HB ALA 28 -27.916 -17.639 -15.063 195 H ALA 29 H ALA 29 -24.668 -15.510 -12.723 196 HA ALA 29 HA ALA 29 -23.676 -17.381 -10.818 197 HB1 ALA 29 1HB ALA 29 -23.053 -18.277 -13.199 198 HB2 ALA 29 2HB ALA 29 -21.878 -18.330 -11.885 199 HB3 ALA 29 3HB ALA 29 -21.785 -17.055 -13.101 200 H ASN 30 H ASN 30 -23.920 -15.314 -9.707 201 HA ASN 30 HA ASN 30 -22.464 -13.008 -10.344 202 HB2 ASN 30 2HB ASN 30 -23.683 -14.074 -7.821 203 HB3 ASN 30 1HB ASN 30 -22.672 -12.633 -7.760 204 HD21 ASN 30 1HD2 ASN 30 -24.177 -11.128 -7.330 205 HD22 ASN 30 2HD2 ASN 30 -25.506 -10.751 -8.368 206 H VAL 31 H VAL 31 -20.414 -12.367 -9.981 207 HA VAL 31 HA VAL 31 -18.623 -14.297 -8.656 208 HB VAL 31 HB VAL 31 -17.830 -12.228 -10.704 209 HG11 VAL 31 1HG1 VAL 31 -15.847 -12.713 -9.721 210 HG12 VAL 31 2HG1 VAL 31 -15.921 -14.100 -10.809 211 HG13 VAL 31 3HG1 VAL 31 -16.402 -14.276 -9.121 212 HG21 VAL 31 3HG2 VAL 31 -17.583 -14.271 -12.200 213 HG22 VAL 31 1HG2 VAL 31 -19.223 -13.703 -11.892 214 HG23 VAL 31 2HG2 VAL 31 -18.601 -15.113 -11.032 215 H GLU 32 H GLU 32 -18.515 -10.826 -9.475 216 HA GLU 32 HA GLU 32 -17.943 -8.989 -8.267 217 HB2 GLU 32 2HB GLU 32 -18.886 -10.759 -6.010 218 HB3 GLU 32 1HB GLU 32 -18.389 -9.088 -5.774 219 HG2 GLU 32 2HG GLU 32 -20.509 -9.801 -7.761 220 HG3 GLU 32 1HG GLU 32 -20.885 -9.613 -6.048 221 H THR 33 H THR 33 -16.996 -11.356 -5.803 222 HA THR 33 HA THR 33 -15.006 -11.770 -4.785 223 HB THR 33 HB THR 33 -13.167 -12.286 -6.180 224 HG1 THR 33 1HG THR 33 -12.933 -11.404 -8.245 225 HG21 THR 33 3HG2 THR 33 -14.171 -13.292 -8.258 226 HG22 THR 33 1HG2 THR 33 -15.718 -12.643 -7.716 227 HG23 THR 33 2HG2 THR 33 -14.861 -13.822 -6.725 228 H ARG 34 H ARG 34 -15.994 -9.062 -4.701 229 HA ARG 34 HA ARG 34 -13.640 -7.782 -3.709 230 HB2 ARG 34 2HB ARG 34 -13.923 -7.405 -6.364 231 HB3 ARG 34 1HB ARG 34 -14.923 -6.085 -5.773 232 HG2 ARG 34 2HG ARG 34 -12.828 -5.621 -4.251 233 HG3 ARG 34 1HG ARG 34 -11.992 -6.501 -5.532 234 HD2 ARG 34 2HD ARG 34 -13.589 -3.961 -5.749 235 HD3 ARG 34 1HD ARG 34 -11.883 -4.212 -6.119 236 HE ARG 34 HE ARG 34 -14.101 -4.678 -7.852 237 HH11 ARG 34 1HH1 ARG 34 -10.877 -5.764 -7.072 238 HH12 ARG 34 2HH1 ARG 34 -10.568 -6.384 -8.659 239 HH21 ARG 34 1HH2 ARG 34 -13.697 -5.495 -9.939 240 HH22 ARG 34 2HH2 ARG 34 -12.168 -6.231 -10.287 241 HA PRO 35 HA PRO 35 -17.863 -6.400 -2.113 242 HB2 PRO 35 2HB PRO 35 -17.979 -7.794 0.182 243 HB3 PRO 35 1HB PRO 35 -18.514 -8.484 -1.355 244 HG2 PRO 35 2HG PRO 35 -15.934 -8.887 0.105 245 HG3 PRO 35 1HG PRO 35 -16.951 -10.083 -0.716 246 HD2 PRO 35 2HD PRO 35 -14.704 -8.988 -1.826 247 HD3 PRO 35 1HD PRO 35 -16.074 -9.591 -2.777 248 H GLU 36 H GLU 36 -14.957 -7.170 -0.207 249 HA GLU 36 HA GLU 36 -14.969 -4.430 0.825 250 HB2 GLU 36 2HB GLU 36 -15.983 -6.272 2.420 251 HB3 GLU 36 1HB GLU 36 -14.291 -6.642 2.716 252 HG2 GLU 36 2HG GLU 36 -15.199 -3.818 2.924 253 HG3 GLU 36 1HG GLU 36 -15.594 -4.944 4.222 254 H LEU 37 H LEU 37 -13.032 -3.507 0.735 255 HA LEU 37 HA LEU 37 -10.746 -5.199 0.053 256 HB2 LEU 37 2HB LEU 37 -9.718 -2.791 -0.303 257 HB3 LEU 37 1HB LEU 37 -10.719 -3.556 -1.522 258 HG LEU 37 HG LEU 37 -12.045 -1.792 0.481 259 HD11 LEU 37 1HD1 LEU 37 -10.036 -0.931 -1.494 260 HD12 LEU 37 2HD1 LEU 37 -10.582 -0.149 -0.012 261 HD13 LEU 37 3HD1 LEU 37 -11.548 -0.023 -1.481 262 HD21 LEU 37 3HD2 LEU 37 -13.732 -1.778 -1.005 263 HD22 LEU 37 1HD2 LEU 37 -12.941 -3.221 -1.639 264 HD23 LEU 37 2HD2 LEU 37 -12.648 -1.653 -2.391 265 H ILE 38 H ILE 38 -9.045 -5.463 1.328 266 HA ILE 38 HA ILE 38 -9.082 -4.160 3.957 267 HB ILE 38 HB ILE 38 -7.136 -6.336 3.480 268 HG12 ILE 38 2HG1 ILE 38 -10.050 -7.040 3.855 269 HG13 ILE 38 1HG1 ILE 38 -9.258 -7.078 2.283 270 HG21 ILE 38 1HG2 ILE 38 -8.233 -4.995 5.657 271 HG22 ILE 38 2HG2 ILE 38 -7.166 -6.398 5.699 272 HG23 ILE 38 3HG2 ILE 38 -8.914 -6.620 5.734 273 HD11 ILE 38 3HD1 ILE 38 -8.741 -9.180 2.749 274 HD12 ILE 38 1HD1 ILE 38 -9.177 -8.992 4.447 275 HD13 ILE 38 2HD1 ILE 38 -7.565 -8.534 3.894 276 H THR 39 H THR 39 -6.601 -4.223 4.828 277 HA THR 39 HA THR 39 -4.626 -3.383 2.925 278 HB THR 39 HB THR 39 -4.585 -1.107 4.460 279 HG1 THR 39 1HG THR 39 -7.299 -1.574 3.806 280 HG21 THR 39 3HG2 THR 39 -5.940 -1.499 1.807 281 HG22 THR 39 1HG2 THR 39 -4.266 -1.022 2.091 282 HG23 THR 39 2HG2 THR 39 -5.582 0.070 2.525 283 H ARG 40 H ARG 40 -2.798 -4.090 3.712 284 HA ARG 40 HA ARG 40 -2.168 -3.821 6.547 285 HB2 ARG 40 2HB ARG 40 -3.206 -6.069 6.294 286 HB3 ARG 40 1HB ARG 40 -1.979 -6.476 5.102 287 HG2 ARG 40 2HG ARG 40 -0.244 -6.329 6.752 288 HG3 ARG 40 1HG ARG 40 -1.385 -5.726 7.955 289 HD2 ARG 40 2HD ARG 40 -2.231 -7.778 8.375 290 HD3 ARG 40 1HD ARG 40 -2.098 -8.290 6.693 291 HE ARG 40 HE ARG 40 0.481 -8.170 7.586 292 HH11 ARG 40 1HH1 ARG 40 -2.407 -9.839 8.611 293 HH12 ARG 40 2HH1 ARG 40 -1.545 -11.190 9.265 294 HH21 ARG 40 1HH2 ARG 40 1.617 -9.946 8.447 295 HH22 ARG 40 2HH2 ARG 40 0.740 -11.251 9.173 296 H THR 41 H THR 41 -0.056 -3.276 6.818 297 HA THR 41 HA THR 41 1.498 -2.940 4.416 298 HB THR 41 HB THR 41 2.891 -1.539 5.637 299 HG1 THR 41 1HG THR 41 3.040 -1.677 7.937 300 HG21 THR 41 3HG2 THR 41 1.494 0.013 6.405 301 HG22 THR 41 1HG2 THR 41 0.796 -1.070 7.609 302 HG23 THR 41 2HG2 THR 41 0.219 -1.112 5.942 303 H GLU 42 H GLU 42 3.043 -4.034 3.664 304 HA GLU 42 HA GLU 42 3.922 -6.429 5.090 305 HB2 GLU 42 2HB GLU 42 3.389 -7.237 3.039 306 HB3 GLU 42 1HB GLU 42 3.530 -5.663 2.274 307 HG2 GLU 42 2HG GLU 42 5.742 -5.950 1.769 308 HG3 GLU 42 1HG GLU 42 6.014 -7.085 3.091 309 H GLU 43 H GLU 43 6.053 -6.851 5.478 310 HA GLU 43 HA GLU 43 7.741 -4.637 5.962 311 HB2 GLU 43 2HB GLU 43 9.457 -6.375 6.515 312 HB3 GLU 43 1HB GLU 43 7.931 -6.565 7.371 313 HG2 GLU 43 2HG GLU 43 7.996 -8.686 6.721 314 HG3 GLU 43 1HG GLU 43 7.567 -8.093 5.116 315 H ILE 44 H ILE 44 8.192 -3.516 4.118 316 HA ILE 44 HA ILE 44 9.570 -4.928 1.943 317 HB ILE 44 HB ILE 44 8.357 -2.160 2.010 318 HG12 ILE 44 2HG1 ILE 44 7.375 -4.218 0.130 319 HG13 ILE 44 1HG1 ILE 44 7.043 -4.532 1.829 320 HG21 ILE 44 1HG2 ILE 44 10.243 -2.135 0.533 321 HG22 ILE 44 2HG2 ILE 44 8.775 -2.186 -0.444 322 HG23 ILE 44 3HG2 ILE 44 9.736 -3.649 -0.219 323 HD11 ILE 44 3HD1 ILE 44 5.727 -2.754 0.029 324 HD12 ILE 44 1HD1 ILE 44 6.385 -1.842 1.387 325 HD13 ILE 44 2HD1 ILE 44 5.282 -3.199 1.675 326 HA PRO 45 HA PRO 45 13.133 -2.979 4.043 327 HB2 PRO 45 2HB PRO 45 14.966 -4.769 3.212 328 HB3 PRO 45 1HB PRO 45 13.868 -5.101 4.559 329 HG2 PRO 45 2HG PRO 45 13.661 -5.959 1.693 330 HG3 PRO 45 1HG PRO 45 13.406 -6.915 3.166 331 HD2 PRO 45 2HD PRO 45 11.359 -5.863 1.732 332 HD3 PRO 45 1HD PRO 45 11.285 -6.077 3.492 333 H PHE 46 H PHE 46 15.010 -1.941 3.296 334 HA PHE 46 HA PHE 46 14.841 -1.003 0.563 335 HB2 PHE 46 2HB PHE 46 16.505 0.641 1.255 336 HB3 PHE 46 1HB PHE 46 15.209 0.570 2.443 337 HD1 PHE 46 2HD PHE 46 15.586 -0.387 4.641 338 HD2 PHE 46 1HD PHE 46 18.732 -0.112 1.791 339 HE1 PHE 46 2HE PHE 46 17.228 -0.810 6.423 340 HE2 PHE 46 1HE PHE 46 20.381 -0.542 3.568 341 HZ PHE 46 HZ PHE 46 19.630 -0.888 5.886 342 H GLU 47 H GLU 47 17.306 -0.429 -0.211 343 HA GLU 47 HA GLU 47 19.054 -2.721 0.068 344 HB2 GLU 47 2HB GLU 47 17.336 -3.209 -1.773 345 HB3 GLU 47 1HB GLU 47 18.150 -1.958 -2.702 346 HG2 GLU 47 2HG GLU 47 19.447 -3.594 -3.461 347 HG3 GLU 47 1HG GLU 47 20.235 -3.532 -1.886 348 H VAL 48 H VAL 48 20.927 -1.760 0.497 349 HA VAL 48 HA VAL 48 21.584 0.885 -0.252 350 HB VAL 48 HB VAL 48 23.504 -1.287 0.591 351 HG11 VAL 48 1HG1 VAL 48 24.851 0.452 -0.071 352 HG12 VAL 48 2HG1 VAL 48 24.590 0.855 1.625 353 HG13 VAL 48 3HG1 VAL 48 23.666 1.682 0.370 354 HG21 VAL 48 3HG2 VAL 48 22.253 -1.358 2.454 355 HG22 VAL 48 1HG2 VAL 48 21.438 0.161 2.085 356 HG23 VAL 48 2HG2 VAL 48 23.036 0.176 2.832 357 H ILE 49 H ILE 49 23.172 1.640 -1.700 358 HA ILE 49 HA ILE 49 23.908 -0.234 -3.851 359 HB ILE 49 HB ILE 49 23.125 2.654 -4.251 360 HG12 ILE 49 2HG1 ILE 49 21.264 1.261 -5.614 361 HG13 ILE 49 1HG1 ILE 49 21.567 0.131 -4.297 362 HG21 ILE 49 1HG2 ILE 49 23.012 1.739 -6.684 363 HG22 ILE 49 2HG2 ILE 49 24.087 0.487 -6.065 364 HG23 ILE 49 3HG2 ILE 49 24.570 2.181 -5.986 365 HD11 ILE 49 3HD1 ILE 49 20.414 2.876 -4.212 366 HD12 ILE 49 1HD1 ILE 49 21.235 2.223 -2.792 367 HD13 ILE 49 2HD1 ILE 49 19.836 1.386 -3.465 368 H LYS 50 H LYS 50 25.828 0.329 -5.043 369 HA LYS 50 HA LYS 50 27.660 2.080 -3.538 370 HB2 LYS 50 2HB LYS 50 28.507 -0.373 -5.074 371 HB3 LYS 50 1HB LYS 50 29.462 0.573 -3.940 372 HG2 LYS 50 2HG LYS 50 27.035 -1.045 -3.195 373 HG3 LYS 50 1HG LYS 50 28.704 -1.592 -3.029 374 HD2 LYS 50 2HD LYS 50 28.037 1.025 -1.821 375 HD3 LYS 50 1HD LYS 50 27.348 -0.402 -1.046 376 HE2 LYS 50 2HE LYS 50 29.518 0.241 -0.076 377 HE3 LYS 50 1HE LYS 50 29.550 -1.372 -0.792 378 HZ1 LYS 50 3HZ LYS 50 30.488 1.057 -2.212 379 HZ2 LYS 50 1HZ LYS 50 30.716 -0.557 -2.668 380 HZ3 LYS 50 2HZ LYS 50 31.511 0.058 -1.308 381 H LYS 51 H LYS 51 27.669 3.883 -4.775 382 HA LYS 51 HA LYS 51 28.157 3.572 -7.659 383 HB2 LYS 51 2HB LYS 51 27.452 6.018 -7.731 384 HB3 LYS 51 1HB LYS 51 26.195 4.847 -7.359 385 HG2 LYS 51 2HG LYS 51 27.554 5.907 -5.001 386 HG3 LYS 51 1HG LYS 51 26.706 7.126 -5.952 387 HD2 LYS 51 2HD LYS 51 25.428 4.537 -5.101 388 HD3 LYS 51 1HD LYS 51 25.364 6.004 -4.122 389 HE2 LYS 51 2HE LYS 51 24.443 5.876 -6.985 390 HE3 LYS 51 1HE LYS 51 23.373 5.602 -5.610 391 HZ1 LYS 51 3HZ LYS 51 23.740 7.982 -6.710 392 HZ2 LYS 51 1HZ LYS 51 24.966 8.037 -5.544 393 HZ3 LYS 51 2HZ LYS 51 23.362 7.778 -5.073 394 H GLU 52 H GLU 52 29.750 4.850 -8.679 395 HA GLU 52 HA GLU 52 32.025 5.415 -6.965 396 HB2 GLU 52 2HB GLU 52 31.896 4.251 -9.380 397 HB3 GLU 52 1HB GLU 52 32.164 5.914 -9.889 398 HG2 GLU 52 2HG GLU 52 34.325 5.433 -9.666 399 HG3 GLU 52 1HG GLU 52 34.039 5.623 -7.936 400 H ASN 53 H ASN 53 32.524 7.373 -6.249 401 HA ASN 53 HA ASN 53 31.405 9.709 -7.657 402 HB2 ASN 53 2HB ASN 53 30.434 9.328 -5.404 403 HB3 ASN 53 1HB ASN 53 32.045 9.475 -4.709 404 HD21 ASN 53 1HD2 ASN 53 30.928 11.182 -3.480 405 HD22 ASN 53 2HD2 ASN 53 30.869 12.769 -4.161 406 HA PRO 54 HA PRO 54 35.921 10.233 -8.136 407 HB2 PRO 54 2HB PRO 54 35.732 11.929 -10.255 408 HB3 PRO 54 1HB PRO 54 35.658 10.171 -10.417 409 HG2 PRO 54 2HG PRO 54 33.426 12.164 -10.351 410 HG3 PRO 54 1HG PRO 54 33.638 10.753 -11.404 411 HD2 PRO 54 2HD PRO 54 32.007 10.720 -9.248 412 HD3 PRO 54 1HD PRO 54 32.889 9.280 -9.795 413 H ASN 55 H ASN 55 35.199 11.419 -5.988 414 HA ASN 55 HA ASN 55 36.110 14.163 -6.285 415 HB2 ASN 55 2HB ASN 55 33.650 14.335 -6.422 416 HB3 ASN 55 1HB ASN 55 33.515 13.511 -4.870 417 HD21 ASN 55 1HD2 ASN 55 34.243 14.576 -2.990 418 HD22 ASN 55 2HD2 ASN 55 34.379 16.297 -2.938 419 H LEU 56 H LEU 56 34.967 11.658 -4.044 420 HA LEU 56 HA LEU 56 36.103 12.626 -1.700 421 HB2 LEU 56 2HB LEU 56 35.219 9.984 -2.694 422 HB3 LEU 56 1HB LEU 56 36.304 9.963 -1.319 423 HG LEU 56 HG LEU 56 34.763 11.267 -0.000 424 HD11 LEU 56 1HD1 LEU 56 32.532 11.869 -0.929 425 HD12 LEU 56 2HD1 LEU 56 33.131 11.427 -2.527 426 HD13 LEU 56 3HD1 LEU 56 33.875 12.760 -1.645 427 HD21 LEU 56 3HD2 LEU 56 32.787 9.421 -1.123 428 HD22 LEU 56 1HD2 LEU 56 33.469 9.509 0.503 429 HD23 LEU 56 2HD2 LEU 56 34.354 8.683 -0.780 430 HA PRO 57 HA PRO 57 40.425 11.765 -2.009 431 HB2 PRO 57 2HB PRO 57 40.748 10.626 0.598 432 HB3 PRO 57 1HB PRO 57 40.998 12.300 0.106 433 HG2 PRO 57 2HG PRO 57 38.998 11.439 1.806 434 HG3 PRO 57 1HG PRO 57 38.963 12.952 0.886 435 HD2 PRO 57 2HD PRO 57 37.634 10.340 0.293 436 HD3 PRO 57 1HD PRO 57 37.032 11.995 0.053 437 H ALA 58 H ALA 58 38.702 9.456 -2.838 438 HA ALA 58 HA ALA 58 38.971 7.306 -3.516 439 HB1 ALA 58 1HB ALA 58 41.475 6.489 -3.339 440 HB2 ALA 58 2HB ALA 58 41.768 8.210 -3.081 441 HB3 ALA 58 3HB ALA 58 40.970 7.664 -4.556 442 H GLY 59 H GLY 59 38.190 5.638 -2.423 443 HA2 GLY 59 2HA GLY 59 38.142 3.899 -0.887 444 HA3 GLY 59 1HA GLY 59 39.602 4.545 -0.155 445 H GLN 60 H GLN 60 36.920 6.680 -0.612 446 HA GLN 60 HA GLN 60 36.436 6.613 2.289 447 HB2 GLN 60 2HB GLN 60 37.334 8.740 1.456 448 HB3 GLN 60 1HB GLN 60 35.993 8.869 0.325 449 HG2 GLN 60 2HG GLN 60 35.631 10.289 2.246 450 HG3 GLN 60 1HG GLN 60 34.427 9.003 2.192 451 HE21 GLN 60 1HE2 GLN 60 33.930 8.787 4.289 452 HE22 GLN 60 2HE2 GLN 60 35.057 8.379 5.534 453 H GLU 61 H GLU 61 34.245 7.018 3.024 454 HA GLU 61 HA GLU 61 32.159 6.399 1.055 455 HB2 GLU 61 2HB GLU 61 32.474 5.017 3.727 456 HB3 GLU 61 1HB GLU 61 31.123 4.804 2.622 457 HG2 GLU 61 2HG GLU 61 32.869 4.058 0.914 458 HG3 GLU 61 1HG GLU 61 33.968 3.931 2.287 459 H ASN 62 H ASN 62 30.749 8.009 1.118 460 HA ASN 62 HA ASN 62 30.143 9.249 3.723 461 HB2 ASN 62 2HB ASN 62 29.625 11.319 2.494 462 HB3 ASN 62 1HB ASN 62 31.289 10.808 2.226 463 HD21 ASN 62 1HD2 ASN 62 28.271 11.500 0.803 464 HD22 ASN 62 2HD2 ASN 62 28.705 11.163 -0.835 465 H ILE 63 H ILE 63 28.192 8.737 4.440 466 HA ILE 63 HA ILE 63 26.161 7.754 2.619 467 HB ILE 63 HB ILE 63 25.941 8.144 5.604 468 HG12 ILE 63 2HG1 ILE 63 26.832 5.721 4.027 469 HG13 ILE 63 1HG1 ILE 63 27.831 6.681 5.112 470 HG21 ILE 63 1HG2 ILE 63 24.224 6.312 5.323 471 HG22 ILE 63 2HG2 ILE 63 24.333 6.599 3.587 472 HG23 ILE 63 3HG2 ILE 63 23.788 7.887 4.661 473 HD11 ILE 63 3HD1 ILE 63 25.375 5.227 6.037 474 HD12 ILE 63 1HD1 ILE 63 26.677 5.909 7.013 475 HD13 ILE 63 2HD1 ILE 63 26.978 4.490 6.012 476 H ILE 64 H ILE 64 24.427 8.838 1.925 477 HA ILE 64 HA ILE 64 24.090 11.609 2.842 478 HB ILE 64 HB ILE 64 22.838 10.413 0.379 479 HG12 ILE 64 2HG1 ILE 64 25.511 11.821 0.575 480 HG13 ILE 64 1HG1 ILE 64 25.286 10.104 0.256 481 HG21 ILE 64 1HG2 ILE 64 23.238 12.982 -0.205 482 HG22 ILE 64 2HG2 ILE 64 23.125 13.115 1.550 483 HG23 ILE 64 3HG2 ILE 64 21.795 12.409 0.631 484 HD11 ILE 64 3HD1 ILE 64 25.757 11.627 -1.723 485 HD12 ILE 64 1HD1 ILE 64 24.103 12.202 -1.523 486 HD13 ILE 64 2HD1 ILE 64 24.408 10.500 -1.869 487 H THR 65 H THR 65 22.260 8.667 2.092 488 HA THR 65 HA THR 65 20.235 9.478 4.035 489 HB THR 65 HB THR 65 19.213 8.312 1.495 490 HG1 THR 65 1HG THR 65 20.490 9.973 0.706 491 HG21 THR 65 3HG2 THR 65 18.171 10.318 3.470 492 HG22 THR 65 1HG2 THR 65 17.576 8.688 3.156 493 HG23 THR 65 2HG2 THR 65 17.372 9.949 1.940 494 H ALA 66 H ALA 66 20.936 7.845 5.392 495 HA ALA 66 HA ALA 66 21.642 5.268 4.835 496 HB1 ALA 66 1HB ALA 66 20.455 4.796 7.141 497 HB2 ALA 66 2HB ALA 66 20.346 6.556 7.180 498 HB3 ALA 66 3HB ALA 66 21.920 5.772 7.043 499 H GLY 67 H GLY 67 20.581 3.254 4.802 500 HA2 GLY 67 2HA GLY 67 17.975 3.350 3.528 501 HA3 GLY 67 1HA GLY 67 19.001 1.932 3.706 502 H VAL 68 H VAL 68 16.080 2.925 4.466 503 HA VAL 68 HA VAL 68 16.053 1.443 7.000 504 HB VAL 68 HB VAL 68 14.376 3.907 6.523 505 HG11 VAL 68 1HG1 VAL 68 14.899 2.791 9.219 506 HG12 VAL 68 2HG1 VAL 68 13.806 1.891 8.167 507 HG13 VAL 68 3HG1 VAL 68 13.455 3.571 8.574 508 HG21 VAL 68 3HG2 VAL 68 15.964 4.702 8.489 509 HG22 VAL 68 1HG2 VAL 68 16.400 4.924 6.794 510 HG23 VAL 68 2HG2 VAL 68 17.078 3.579 7.711 511 H LYS 69 H LYS 69 14.650 -0.175 6.977 512 HA LYS 69 HA LYS 69 13.090 -0.805 4.742 513 HB2 LYS 69 2HB LYS 69 12.713 -1.831 7.558 514 HB3 LYS 69 1HB LYS 69 12.181 -2.613 6.077 515 HG2 LYS 69 2HG LYS 69 14.075 -3.787 6.312 516 HG3 LYS 69 1HG LYS 69 14.822 -2.366 5.575 517 HD2 LYS 69 2HD LYS 69 15.818 -1.734 7.503 518 HD3 LYS 69 1HD LYS 69 14.454 -2.246 8.498 519 HE2 LYS 69 2HE LYS 69 15.386 -4.634 7.591 520 HE3 LYS 69 1HE LYS 69 16.879 -3.704 7.714 521 HZ1 LYS 69 3HZ LYS 69 15.041 -4.560 9.824 522 HZ2 LYS 69 1HZ LYS 69 15.852 -3.089 10.034 523 HZ3 LYS 69 2HZ LYS 69 16.732 -4.517 9.818 524 H GLY 70 H GLY 70 11.367 0.254 4.041 525 HA2 GLY 70 2HA GLY 70 9.731 1.857 5.781 526 HA3 GLY 70 1HA GLY 70 9.479 1.590 4.060 527 H GLU 71 H GLU 71 7.280 1.132 4.141 528 HA GLU 71 HA GLU 71 6.560 -1.523 4.639 529 HB2 GLU 71 2HB GLU 71 6.698 -0.118 7.013 530 HB3 GLU 71 1HB GLU 71 5.001 0.029 6.580 531 HG2 GLU 71 2HG GLU 71 4.746 -2.349 6.513 532 HG3 GLU 71 1HG GLU 71 6.481 -2.587 6.721 533 H ARG 72 H ARG 72 5.285 -1.605 2.911 534 HA ARG 72 HA ARG 72 3.471 0.626 2.445 535 HB2 ARG 72 2HB ARG 72 3.733 0.328 0.246 536 HB3 ARG 72 1HB ARG 72 5.105 -0.660 0.670 537 HG2 ARG 72 2HG ARG 72 3.784 -2.661 0.464 538 HG3 ARG 72 1HG ARG 72 2.321 -1.709 0.223 539 HD2 ARG 72 2HD ARG 72 3.328 -2.661 -1.871 540 HD3 ARG 72 1HD ARG 72 3.070 -0.921 -1.886 541 HE ARG 72 HE ARG 72 5.627 -1.118 -1.079 542 HH11 ARG 72 1HH1 ARG 72 3.893 -2.536 -3.756 543 HH12 ARG 72 2HH1 ARG 72 5.285 -2.606 -4.781 544 HH21 ARG 72 1HH2 ARG 72 7.458 -1.208 -2.427 545 HH22 ARG 72 2HH2 ARG 72 7.310 -1.852 -4.029 546 H THR 73 H THR 73 1.358 0.431 2.389 547 HA THR 73 HA THR 73 0.233 -1.816 3.759 548 HB THR 73 HB THR 73 -1.116 0.534 2.437 549 HG1 THR 73 1HG THR 73 0.072 1.212 4.191 550 HG21 THR 73 3HG2 THR 73 -2.375 -1.136 4.545 551 HG22 THR 73 1HG2 THR 73 -2.450 -1.624 2.849 552 HG23 THR 73 2HG2 THR 73 -3.119 -0.067 3.355 553 H HIS 74 H HIS 74 -1.000 -3.424 2.974 554 HA HIS 74 HA HIS 74 -1.231 -3.611 0.064 555 HB2 HIS 74 2HB HIS 74 -0.278 -5.566 2.087 556 HB3 HIS 74 1HB HIS 74 -1.117 -6.177 0.654 557 HD1 HIS 74 1HD HIS 74 0.130 -6.121 -1.509 558 HD2 HIS 74 2HD HIS 74 2.019 -4.046 1.545 559 HE1 HIS 74 1HE HIS 74 2.352 -5.440 -2.461 560 HE2 HIS 74 2HE HIS 74 3.442 -4.096 -0.636 561 H TYR 75 H TYR 75 -3.145 -3.690 -0.686 562 HA TYR 75 HA TYR 75 -5.350 -4.119 1.128 563 HB2 TYR 75 2HB TYR 75 -5.944 -3.469 -1.685 564 HB3 TYR 75 1HB TYR 75 -6.591 -2.773 -0.212 565 HD1 TYR 75 2HD TYR 75 -3.379 -2.196 0.576 566 HD2 TYR 75 1HD TYR 75 -6.091 -1.117 -2.525 567 HE1 TYR 75 2HE TYR 75 -2.040 -0.177 0.147 568 HE2 TYR 75 1HE TYR 75 -4.792 0.924 -2.935 569 HH TYR 75 HH TYR 75 -2.939 2.327 -1.038 570 H ILE 76 H ILE 76 -5.917 -6.136 1.431 571 HA ILE 76 HA ILE 76 -5.772 -8.082 -0.731 572 HB ILE 76 HB ILE 76 -6.603 -8.464 2.151 573 HG12 ILE 76 2HG1 ILE 76 -4.221 -9.671 2.019 574 HG13 ILE 76 1HG1 ILE 76 -3.959 -8.447 0.780 575 HG21 ILE 76 1HG2 ILE 76 -7.494 -10.241 0.854 576 HG22 ILE 76 2HG2 ILE 76 -6.044 -10.866 1.640 577 HG23 ILE 76 3HG2 ILE 76 -5.998 -10.412 -0.063 578 HD11 ILE 76 3HD1 ILE 76 -3.871 -8.195 3.622 579 HD12 ILE 76 1HD1 ILE 76 -5.101 -7.114 2.965 580 HD13 ILE 76 2HD1 ILE 76 -3.439 -7.020 2.381 581 H SER 77 H SER 77 -7.622 -9.526 -1.138 582 HA SER 77 HA SER 77 -10.193 -8.124 -0.807 583 HB2 SER 77 2HB SER 77 -9.774 -7.978 -3.106 584 HB3 SER 77 1HB SER 77 -9.043 -9.582 -3.172 585 HG SER 77 HG SER 77 -11.068 -10.492 -2.958 586 H VAL 78 H VAL 78 -11.774 -9.216 0.169 587 HA VAL 78 HA VAL 78 -11.266 -11.897 1.103 588 HB VAL 78 HB VAL 78 -12.323 -10.245 2.583 589 HG11 VAL 78 1HG1 VAL 78 -13.755 -9.454 0.434 590 HG12 VAL 78 2HG1 VAL 78 -14.185 -9.078 2.103 591 HG13 VAL 78 3HG1 VAL 78 -14.953 -10.436 1.279 592 HG21 VAL 78 3HG2 VAL 78 -12.969 -12.171 3.521 593 HG22 VAL 78 1HG2 VAL 78 -13.433 -12.876 1.974 594 HG23 VAL 78 2HG2 VAL 78 -14.554 -11.820 2.832 595 H LEU 79 H LEU 79 -11.860 -13.698 0.106 596 HA LEU 79 HA LEU 79 -14.161 -13.612 -1.727 597 HB2 LEU 79 2HB LEU 79 -12.131 -13.631 -3.058 598 HB3 LEU 79 1HB LEU 79 -11.525 -15.015 -2.168 599 HG LEU 79 HG LEU 79 -13.761 -16.126 -3.065 600 HD11 LEU 79 1HD1 LEU 79 -14.118 -15.350 -5.424 601 HD12 LEU 79 2HD1 LEU 79 -13.182 -13.911 -5.017 602 HD13 LEU 79 3HD1 LEU 79 -14.696 -14.245 -4.176 603 HD21 LEU 79 3HD2 LEU 79 -12.444 -17.295 -4.527 604 HD22 LEU 79 1HD2 LEU 79 -11.204 -16.549 -3.518 605 HD23 LEU 79 2HD2 LEU 79 -11.598 -15.854 -5.091 606 H THR 80 H THR 80 -15.704 -14.912 -1.013 607 HA THR 80 HA THR 80 -15.306 -16.845 1.015 608 HB THR 80 HB THR 80 -17.690 -17.539 0.344 609 HG1 THR 80 1HG THR 80 -18.732 -16.037 -1.010 610 HG21 THR 80 3HG2 THR 80 -17.158 -14.674 1.089 611 HG22 THR 80 1HG2 THR 80 -17.363 -16.034 2.192 612 HG23 THR 80 2HG2 THR 80 -18.720 -15.486 1.209 613 H GLU 81 H GLU 81 -13.904 -18.457 0.493 614 HA GLU 81 HA GLU 81 -14.304 -19.945 -1.988 615 HB2 GLU 81 2HB GLU 81 -12.016 -19.162 -0.954 616 HB3 GLU 81 1HB GLU 81 -12.186 -20.621 0.012 617 HG2 GLU 81 2HG GLU 81 -11.153 -21.642 -1.672 618 HG3 GLU 81 1HG GLU 81 -12.703 -21.542 -2.505 619 H ASN 82 H ASN 82 -16.168 -21.115 -1.591 620 HA ASN 82 HA ASN 82 -17.435 -22.857 -0.862 621 HB2 ASN 82 2HB ASN 82 -14.739 -23.865 0.067 622 HB3 ASN 82 1HB ASN 82 -16.211 -24.832 0.066 623 HD21 ASN 82 1HD2 ASN 82 -13.634 -23.567 -1.792 624 HD22 ASN 82 2HD2 ASN 82 -14.075 -24.278 -3.303 625 H GLY 83 H GLY 83 -17.050 -20.542 0.862 626 HA2 GLY 83 2HA GLY 83 -18.100 -20.031 2.891 627 HA3 GLY 83 1HA GLY 83 -18.064 -21.737 3.312 628 H LYS 84 H LYS 84 -15.335 -19.747 2.281 629 HA LYS 84 HA LYS 84 -14.301 -19.640 4.999 630 HB2 LYS 84 2HB LYS 84 -13.574 -21.786 3.539 631 HB3 LYS 84 1HB LYS 84 -12.349 -20.644 3.006 632 HG2 LYS 84 2HG LYS 84 -12.123 -20.244 5.616 633 HG3 LYS 84 1HG LYS 84 -12.761 -21.888 5.663 634 HD2 LYS 84 2HD LYS 84 -10.941 -22.752 4.471 635 HD3 LYS 84 1HD LYS 84 -10.450 -21.159 3.892 636 HE2 LYS 84 2HE LYS 84 -10.433 -21.832 6.814 637 HE3 LYS 84 1HE LYS 84 -9.076 -22.251 5.770 638 HZ1 LYS 84 3HZ LYS 84 -10.081 -19.500 5.704 639 HZ2 LYS 84 1HZ LYS 84 -8.507 -20.079 5.481 640 HZ3 LYS 84 2HZ LYS 84 -9.158 -19.979 7.038 641 H THR 85 H THR 85 -12.322 -18.312 5.146 642 HA THR 85 HA THR 85 -12.370 -16.198 3.102 643 HB THR 85 HB THR 85 -11.031 -15.709 5.700 644 HG1 THR 85 1HG THR 85 -13.021 -15.383 6.738 645 HG21 THR 85 3HG2 THR 85 -13.068 -13.835 5.027 646 HG22 THR 85 1HG2 THR 85 -12.066 -14.147 3.610 647 HG23 THR 85 2HG2 THR 85 -11.322 -13.604 5.114 648 H THR 86 H THR 86 -10.676 -15.997 1.805 649 HA THR 86 HA THR 86 -8.058 -16.969 2.736 650 HB THR 86 HB THR 86 -8.835 -17.166 -0.152 651 HG1 THR 86 1HG THR 86 -9.721 -19.153 0.186 652 HG21 THR 86 3HG2 THR 86 -6.675 -17.807 -0.095 653 HG22 THR 86 1HG2 THR 86 -7.402 -19.354 0.338 654 HG23 THR 86 2HG2 THR 86 -6.749 -18.305 1.596 655 H GLU 87 H GLU 87 -6.816 -15.231 2.965 656 HA GLU 87 HA GLU 87 -7.241 -12.743 1.755 657 HB2 GLU 87 2HB GLU 87 -4.874 -12.261 2.484 658 HB3 GLU 87 1HB GLU 87 -5.952 -12.825 3.754 659 HG2 GLU 87 2HG GLU 87 -4.454 -14.936 2.375 660 HG3 GLU 87 1HG GLU 87 -3.472 -13.795 3.292 661 H THR 88 H THR 88 -7.090 -12.258 -0.325 662 HA THR 88 HA THR 88 -4.935 -13.502 -1.905 663 HB THR 88 HB THR 88 -7.166 -14.323 -2.563 664 HG1 THR 88 1HG THR 88 -5.892 -12.622 -4.436 665 HG21 THR 88 3HG2 THR 88 -8.944 -13.044 -2.844 666 HG22 THR 88 1HG2 THR 88 -8.073 -11.975 -3.943 667 HG23 THR 88 2HG2 THR 88 -8.004 -11.696 -2.203 668 H VAL 89 H VAL 89 -3.469 -12.111 -2.627 669 HA VAL 89 HA VAL 89 -3.488 -9.381 -2.192 670 HB VAL 89 HB VAL 89 -1.749 -9.282 -4.056 671 HG11 VAL 89 1HG1 VAL 89 -0.138 -9.904 -2.579 672 HG12 VAL 89 2HG1 VAL 89 -0.938 -11.422 -2.172 673 HG13 VAL 89 3HG1 VAL 89 -1.516 -9.907 -1.480 674 HG21 VAL 89 3HG2 VAL 89 -2.675 -11.274 -5.263 675 HG22 VAL 89 1HG2 VAL 89 -2.021 -12.282 -3.972 676 HG23 VAL 89 2HG2 VAL 89 -0.936 -11.326 -4.981 677 H LEU 90 H LEU 90 -4.647 -7.783 -3.032 678 HA LEU 90 HA LEU 90 -5.848 -8.171 -5.691 679 HB2 LEU 90 2HB LEU 90 -7.118 -7.640 -3.347 680 HB3 LEU 90 1HB LEU 90 -6.888 -6.018 -3.972 681 HG LEU 90 HG LEU 90 -9.069 -6.882 -4.609 682 HD11 LEU 90 1HD1 LEU 90 -8.752 -6.746 -7.148 683 HD12 LEU 90 2HD1 LEU 90 -7.046 -6.488 -6.786 684 HD13 LEU 90 3HD1 LEU 90 -8.257 -5.359 -6.177 685 HD21 LEU 90 3HD2 LEU 90 -9.459 -8.925 -5.460 686 HD22 LEU 90 1HD2 LEU 90 -7.882 -9.313 -4.771 687 HD23 LEU 90 2HD2 LEU 90 -8.018 -8.889 -6.478 688 H ASP 91 H ASP 91 -4.464 -5.655 -3.581 689 HA ASP 91 HA ASP 91 -2.842 -4.555 -5.597 690 HB2 ASP 91 2HB ASP 91 -5.347 -3.891 -6.195 691 HB3 ASP 91 1HB ASP 91 -5.042 -2.628 -5.005 692 H SER 92 H SER 92 -1.440 -3.023 -4.797 693 HA SER 92 HA SER 92 -1.964 -1.869 -2.170 694 HB2 SER 92 2HB SER 92 -0.095 -2.631 -1.105 695 HB3 SER 92 1HB SER 92 -0.649 -4.070 -1.970 696 HG SER 92 HG SER 92 1.011 -3.914 -3.339 697 H GLN 93 H GLN 93 -0.325 -0.312 -1.547 698 HA GLN 93 HA GLN 93 0.968 1.025 -3.821 699 HB2 GLN 93 2HB GLN 93 -0.889 2.159 -1.745 700 HB3 GLN 93 1HB GLN 93 0.303 3.181 -2.542 701 HG2 GLN 93 2HG GLN 93 -1.432 1.538 -4.286 702 HG3 GLN 93 1HG GLN 93 -2.185 2.890 -3.441 703 HE21 GLN 93 1HE2 GLN 93 0.375 1.988 -5.666 704 HE22 GLN 93 2HE2 GLN 93 0.523 3.534 -6.420 705 H VAL 94 H VAL 94 2.636 2.652 -2.973 706 HA VAL 94 HA VAL 94 4.094 1.351 -0.830 707 HB VAL 94 HB VAL 94 5.813 3.156 -1.313 708 HG11 VAL 94 1HG1 VAL 94 6.347 2.145 -3.635 709 HG12 VAL 94 2HG1 VAL 94 4.952 1.112 -3.324 710 HG13 VAL 94 3HG1 VAL 94 6.330 1.087 -2.224 711 HG21 VAL 94 3HG2 VAL 94 3.711 4.322 -2.696 712 HG22 VAL 94 1HG2 VAL 94 4.779 3.716 -3.963 713 HG23 VAL 94 2HG2 VAL 94 5.402 4.820 -2.738 714 H THR 95 H THR 95 3.302 1.833 1.132 715 HA THR 95 HA THR 95 2.725 4.663 1.676 716 HB THR 95 HB THR 95 0.924 4.019 3.088 717 HG1 THR 95 1HG THR 95 1.789 2.286 4.168 718 HG21 THR 95 3HG2 THR 95 -0.384 3.658 1.337 719 HG22 THR 95 1HG2 THR 95 -0.021 1.928 1.454 720 HG23 THR 95 2HG2 THR 95 0.954 2.978 0.413 721 H LYS 96 H LYS 96 4.912 4.844 2.223 722 HA LYS 96 HA LYS 96 5.611 5.261 4.743 723 HB2 LYS 96 2HB LYS 96 5.742 2.354 4.240 724 HB3 LYS 96 1HB LYS 96 7.142 3.044 5.038 725 HG2 LYS 96 2HG LYS 96 4.915 4.116 6.355 726 HG3 LYS 96 1HG LYS 96 4.566 2.403 6.122 727 HD2 LYS 96 2HD LYS 96 5.695 2.472 8.167 728 HD3 LYS 96 1HD LYS 96 6.945 2.005 7.012 729 HE2 LYS 96 2HE LYS 96 8.081 3.939 7.264 730 HE3 LYS 96 1HE LYS 96 6.614 4.902 7.422 731 HZ1 LYS 96 3HZ LYS 96 7.827 3.212 9.540 732 HZ2 LYS 96 1HZ LYS 96 6.389 4.089 9.699 733 HZ3 LYS 96 2HZ LYS 96 7.855 4.901 9.476 734 H GLU 97 H GLU 97 6.633 3.882 1.720 735 HA GLU 97 HA GLU 97 8.426 4.256 0.380 736 HB2 GLU 97 2HB GLU 97 7.769 6.694 1.310 737 HB3 GLU 97 1HB GLU 97 9.392 6.566 1.972 738 HG2 GLU 97 2HG GLU 97 10.035 7.401 0.008 739 HG3 GLU 97 1HG GLU 97 9.798 5.759 -0.587 740 H VAL 98 H VAL 98 9.775 2.571 0.729 741 HA VAL 98 HA VAL 98 11.283 2.252 3.130 742 HB VAL 98 HB VAL 98 10.707 0.279 1.865 743 HG11 VAL 98 1HG1 VAL 98 12.421 0.318 -0.357 744 HG12 VAL 98 2HG1 VAL 98 11.560 1.857 -0.373 745 HG13 VAL 98 3HG1 VAL 98 10.657 0.343 -0.353 746 HG21 VAL 98 3HG2 VAL 98 13.148 0.760 2.936 747 HG22 VAL 98 1HG2 VAL 98 13.582 0.244 1.308 748 HG23 VAL 98 2HG2 VAL 98 12.610 -0.807 2.336 749 H ILE 99 H ILE 99 12.798 3.640 3.649 750 HA ILE 99 HA ILE 99 14.219 5.265 1.832 751 HB ILE 99 HB ILE 99 15.054 4.548 4.644 752 HG12 ILE 99 2HG1 ILE 99 12.765 5.368 4.651 753 HG13 ILE 99 1HG1 ILE 99 13.836 6.602 5.302 754 HG21 ILE 99 1HG2 ILE 99 16.311 6.570 4.628 755 HG22 ILE 99 2HG2 ILE 99 15.637 7.046 3.069 756 HG23 ILE 99 3HG2 ILE 99 16.741 5.674 3.172 757 HD11 ILE 99 3HD1 ILE 99 13.709 7.150 2.586 758 HD12 ILE 99 1HD1 ILE 99 12.893 8.016 3.887 759 HD13 ILE 99 2HD1 ILE 99 12.061 6.712 3.041 760 H ASN 100 H ASN 100 15.990 4.922 0.656 761 HA ASN 100 HA ASN 100 17.394 2.369 0.991 762 HB2 ASN 100 2HB ASN 100 17.052 4.256 -1.321 763 HB3 ASN 100 1HB ASN 100 18.366 3.085 -1.314 764 HD21 ASN 100 1HD2 ASN 100 17.115 2.449 -3.287 765 HD22 ASN 100 2HD2 ASN 100 15.871 1.267 -3.080 766 H GLN 101 H GLN 101 19.503 2.248 1.524 767 HA GLN 101 HA GLN 101 20.781 4.469 2.700 768 HB2 GLN 101 2HB GLN 101 21.121 1.874 3.021 769 HB3 GLN 101 1HB GLN 101 22.351 2.098 1.783 770 HG2 GLN 101 2HG GLN 101 22.769 4.141 3.648 771 HG3 GLN 101 1HG GLN 101 22.453 2.684 4.589 772 HE21 GLN 101 1HE2 GLN 101 24.294 3.719 1.736 773 HE22 GLN 101 2HE2 GLN 101 25.708 2.796 2.102 774 H VAL 102 H VAL 102 21.172 6.178 1.381 775 HA VAL 102 HA VAL 102 22.394 5.779 -1.223 776 HB VAL 102 HB VAL 102 21.758 8.398 0.136 777 HG11 VAL 102 1HG1 VAL 102 21.837 9.338 -2.074 778 HG12 VAL 102 2HG1 VAL 102 22.077 7.743 -2.789 779 HG13 VAL 102 3HG1 VAL 102 23.335 8.456 -1.781 780 HG21 VAL 102 3HG2 VAL 102 19.678 8.382 -1.190 781 HG22 VAL 102 1HG2 VAL 102 19.729 7.085 0.005 782 HG23 VAL 102 2HG2 VAL 102 20.035 6.730 -1.694 783 H VAL 103 H VAL 103 24.493 5.182 -1.011 784 HA VAL 103 HA VAL 103 26.251 7.032 0.465 785 HB VAL 103 HB VAL 103 26.137 4.867 1.612 786 HG11 VAL 103 1HG1 VAL 103 25.586 3.391 -0.189 787 HG12 VAL 103 2HG1 VAL 103 27.125 2.868 0.495 788 HG13 VAL 103 3HG1 VAL 103 27.094 3.764 -1.024 789 HG21 VAL 103 3HG2 VAL 103 28.588 4.356 1.585 790 HG22 VAL 103 1HG2 VAL 103 28.195 6.060 1.816 791 HG23 VAL 103 2HG2 VAL 103 28.748 5.488 0.243 792 H GLU 104 H GLU 104 28.120 7.680 -0.525 793 HA GLU 104 HA GLU 104 28.544 6.736 -3.285 794 HB2 GLU 104 2HB GLU 104 29.180 9.520 -2.320 795 HB3 GLU 104 1HB GLU 104 29.104 8.939 -3.977 796 HG2 GLU 104 2HG GLU 104 26.578 8.425 -3.044 797 HG3 GLU 104 1HG GLU 104 26.993 9.941 -2.243 798 H VAL 105 H VAL 105 30.427 5.748 -3.550 799 HA VAL 105 HA VAL 105 32.512 6.024 -1.550 800 HB VAL 105 HB VAL 105 33.664 4.235 -2.809 801 HG11 VAL 105 1HG1 VAL 105 30.822 3.372 -2.426 802 HG12 VAL 105 2HG1 VAL 105 31.804 3.885 -1.053 803 HG13 VAL 105 3HG1 VAL 105 32.312 2.512 -2.036 804 HG21 VAL 105 3HG2 VAL 105 32.278 5.081 -4.967 805 HG22 VAL 105 1HG2 VAL 105 31.315 3.679 -4.496 806 HG23 VAL 105 2HG2 VAL 105 33.035 3.491 -4.843 807 H GLY 106 H GLY 106 34.772 6.348 -2.181 808 HA2 GLY 106 2HA GLY 106 34.952 8.448 -4.222 809 HA3 GLY 106 1HA GLY 106 36.101 8.178 -2.920 810 H ALA 107 H ALA 107 35.887 8.110 -6.116 811 HA ALA 107 HA ALA 107 38.241 6.635 -6.514 812 HB1 ALA 107 1HB ALA 107 36.243 4.887 -6.132 813 HB2 ALA 107 2HB ALA 107 37.619 4.569 -7.186 814 HB3 ALA 107 3HB ALA 107 36.095 5.129 -7.872 815 HA PRO 108 HA PRO 108 38.011 9.015 -10.231 816 HB2 PRO 108 2HB PRO 108 39.893 7.783 -11.735 817 HB3 PRO 108 1HB PRO 108 40.301 8.783 -10.335 818 HG2 PRO 108 2HG PRO 108 40.110 5.802 -10.542 819 HG3 PRO 108 1HG PRO 108 41.339 6.792 -9.732 820 HD2 PRO 108 2HD PRO 108 39.304 5.584 -8.399 821 HD3 PRO 108 1HD PRO 108 40.030 7.114 -7.866 822 H VAL 109 H VAL 109 36.629 9.006 -11.890 823 HA VAL 109 HA VAL 109 35.181 6.705 -12.638 824 HB VAL 109 HB VAL 109 34.248 8.964 -12.842 825 HG11 VAL 109 1HG1 VAL 109 34.935 10.493 -14.555 826 HG12 VAL 109 2HG1 VAL 109 36.102 9.333 -15.189 827 HG13 VAL 109 3HG1 VAL 109 36.350 10.053 -13.599 828 HG21 VAL 109 3HG2 VAL 109 34.186 8.161 -15.664 829 HG22 VAL 109 1HG2 VAL 109 32.870 8.344 -14.505 830 HG23 VAL 109 2HG2 VAL 109 33.831 6.866 -14.520 831 H THR 110 H THR 110 37.792 8.483 -14.261 832 HA THR 110 HA THR 110 38.940 6.228 -15.438 833 HB THR 110 HB THR 110 37.038 5.998 -16.851 834 HG1 THR 110 1HG THR 110 38.943 7.442 -18.370 835 HG21 THR 110 3HG2 THR 110 37.264 8.950 -17.335 836 HG22 THR 110 1HG2 THR 110 35.893 8.046 -16.691 837 HG23 THR 110 2HG2 THR 110 36.350 7.868 -18.385 838 H HIS 111 H HIS 111 38.275 9.675 -15.781 839 HA HIS 111 HA HIS 111 40.971 10.421 -15.588 840 HB2 HIS 111 2HB HIS 111 41.190 11.330 -17.968 841 HB3 HIS 111 1HB HIS 111 41.384 9.592 -17.762 842 HD1 HIS 111 1HD HIS 111 40.579 8.796 -20.001 843 HD2 HIS 111 2HD HIS 111 37.899 11.389 -18.170 844 HE1 HIS 111 1HE HIS 111 38.506 8.737 -21.426 845 HE2 HIS 111 2HE HIS 111 36.929 10.376 -20.343 Start of MODEL 20 1 H1 MET 1 1HT MET 1 8.697 -32.330 -3.887 2 H2 MET 1 2HT MET 1 8.350 -31.385 -5.278 3 H3 MET 1 3HT MET 1 7.342 -32.712 -4.866 4 HA MET 1 HA MET 1 6.170 -30.881 -4.201 5 HB2 MET 1 2HB MET 1 7.740 -32.092 -1.925 6 HB3 MET 1 1HB MET 1 6.370 -31.020 -1.670 7 HG2 MET 1 2HG MET 1 5.201 -32.923 -1.609 8 HG3 MET 1 1HG MET 1 5.277 -32.806 -3.366 9 HE1 MET 1 2HE MET 1 5.618 -34.398 -4.633 10 HE2 MET 1 3HE MET 1 6.207 -36.023 -4.284 11 HE3 MET 1 1HE MET 1 7.332 -34.774 -4.816 12 H GLY 2 H GLY 2 9.497 -30.634 -2.966 13 HA2 GLY 2 2HA GLY 2 9.381 -27.744 -3.399 14 HA3 GLY 2 1HA GLY 2 9.731 -28.298 -1.768 15 H SER 3 H SER 3 10.962 -27.793 -4.940 16 HA SER 3 HA SER 3 13.653 -27.885 -4.041 17 HB2 SER 3 2HB SER 3 14.137 -29.752 -5.908 18 HB3 SER 3 1HB SER 3 13.844 -30.159 -4.217 19 HG SER 3 HG SER 3 12.051 -31.095 -4.777 20 H SER 4 H SER 4 11.771 -28.437 -7.022 21 HA SER 4 HA SER 4 12.456 -25.927 -8.140 22 HB2 SER 4 2HB SER 4 14.578 -27.575 -8.316 23 HB3 SER 4 1HB SER 4 13.721 -28.054 -9.781 24 HG SER 4 HG SER 4 13.892 -26.009 -10.558 25 H HIS 5 H HIS 5 10.277 -25.821 -8.604 26 HA HIS 5 HA HIS 5 9.464 -27.062 -11.058 27 HB2 HIS 5 2HB HIS 5 8.439 -28.054 -8.449 28 HB3 HIS 5 1HB HIS 5 7.270 -27.861 -9.751 29 HD1 HIS 5 1HD HIS 5 8.373 -30.602 -8.452 30 HD2 HIS 5 2HD HIS 5 9.391 -28.969 -12.134 31 HE1 HIS 5 1HE HIS 5 9.181 -32.534 -9.844 32 HE2 HIS 5 2HE HIS 5 9.710 -31.535 -12.095 33 H HIS 6 H HIS 6 7.628 -25.867 -8.252 34 HA HIS 6 HA HIS 6 5.921 -24.237 -9.763 35 HB2 HIS 6 2HB HIS 6 5.920 -25.073 -7.202 36 HB3 HIS 6 1HB HIS 6 6.483 -23.421 -6.968 37 HD1 HIS 6 1HD HIS 6 3.719 -24.952 -9.105 38 HD2 HIS 6 2HD HIS 6 4.356 -21.877 -6.385 39 HE1 HIS 6 1HE HIS 6 1.511 -23.764 -8.903 40 HE2 HIS 6 2HE HIS 6 1.943 -21.855 -7.318 41 H HIS 7 H HIS 7 5.763 -21.763 -9.013 42 HA HIS 7 HA HIS 7 6.583 -19.662 -9.312 43 HB2 HIS 7 2HB HIS 7 7.944 -20.323 -7.319 44 HB3 HIS 7 1HB HIS 7 9.223 -20.834 -8.416 45 HD1 HIS 7 1HD HIS 7 7.329 -17.713 -9.174 46 HD2 HIS 7 2HD HIS 7 10.931 -18.828 -7.430 47 HE1 HIS 7 1HE HIS 7 8.664 -15.591 -8.975 48 HE2 HIS 7 2HE HIS 7 10.874 -16.306 -7.998 49 H HIS 8 H HIS 8 6.494 -19.225 -11.439 50 HA HIS 8 HA HIS 8 8.947 -19.508 -12.974 51 HB2 HIS 8 2HB HIS 8 7.605 -20.401 -14.946 52 HB3 HIS 8 1HB HIS 8 7.921 -21.538 -13.638 53 HD1 HIS 8 1HD HIS 8 5.242 -20.216 -15.669 54 HD2 HIS 8 2HD HIS 8 5.581 -21.803 -11.844 55 HE1 HIS 8 1HE HIS 8 2.905 -20.861 -15.000 56 HE2 HIS 8 2HE HIS 8 3.123 -21.740 -12.648 57 H HIS 9 H HIS 9 9.132 -17.290 -13.020 58 HA HIS 9 HA HIS 9 7.198 -15.919 -14.748 59 HB2 HIS 9 2HB HIS 9 7.972 -15.191 -11.968 60 HB3 HIS 9 1HB HIS 9 7.789 -13.878 -13.125 61 HD1 HIS 9 1HD HIS 9 5.344 -14.890 -14.688 62 HD2 HIS 9 2HD HIS 9 5.662 -14.974 -10.545 63 HE1 HIS 9 1HE HIS 9 2.980 -14.947 -13.833 64 HE2 HIS 9 2HE HIS 9 3.196 -14.912 -11.322 65 H SER 10 H SER 10 8.050 -14.301 -16.046 66 HA SER 10 HA SER 10 10.943 -13.835 -15.874 67 HB2 SER 10 2HB SER 10 9.420 -14.651 -18.359 68 HB3 SER 10 1HB SER 10 11.069 -14.027 -18.372 69 HG SER 10 HG SER 10 10.183 -16.519 -17.814 70 H SER 11 H SER 11 8.023 -12.904 -17.699 71 HA SER 11 HA SER 11 7.207 -10.879 -18.338 72 HB2 SER 11 2HB SER 11 8.891 -9.676 -16.138 73 HB3 SER 11 1HB SER 11 7.379 -9.061 -16.804 74 HG SER 11 HG SER 11 6.551 -10.104 -15.168 75 H GLY 12 H GLY 12 8.041 -10.525 -20.330 76 HA2 GLY 12 2HA GLY 12 10.788 -9.700 -20.689 77 HA3 GLY 12 1HA GLY 12 9.586 -9.908 -21.952 78 H LEU 13 H LEU 13 7.673 -8.150 -20.501 79 HA LEU 13 HA LEU 13 7.037 -5.967 -20.523 80 HB2 LEU 13 2HB LEU 13 9.971 -5.627 -19.930 81 HB3 LEU 13 1HB LEU 13 8.846 -4.282 -19.964 82 HG LEU 13 HG LEU 13 7.531 -5.800 -18.230 83 HD11 LEU 13 1HD1 LEU 13 9.611 -7.450 -18.604 84 HD12 LEU 13 2HD1 LEU 13 8.713 -7.348 -17.089 85 HD13 LEU 13 3HD1 LEU 13 10.237 -6.480 -17.271 86 HD21 LEU 13 3HD2 LEU 13 8.806 -4.616 -16.418 87 HD22 LEU 13 1HD2 LEU 13 8.195 -3.580 -17.708 88 HD23 LEU 13 2HD2 LEU 13 9.899 -4.028 -17.672 89 H VAL 14 H VAL 14 7.780 -7.267 -23.009 90 HA VAL 14 HA VAL 14 7.859 -4.929 -24.672 91 HB VAL 14 HB VAL 14 10.211 -6.805 -24.610 92 HG11 VAL 14 1HG1 VAL 14 10.888 -5.517 -26.754 93 HG12 VAL 14 2HG1 VAL 14 9.153 -5.250 -26.940 94 HG13 VAL 14 3HG1 VAL 14 9.792 -6.893 -26.891 95 HG21 VAL 14 3HG2 VAL 14 10.719 -4.948 -23.348 96 HG22 VAL 14 1HG2 VAL 14 9.766 -3.865 -24.364 97 HG23 VAL 14 2HG2 VAL 14 11.322 -4.470 -24.936 98 HA PRO 15 HA PRO 15 7.171 -8.777 -27.533 99 HB2 PRO 15 2HB PRO 15 7.209 -11.226 -26.303 100 HB3 PRO 15 1HB PRO 15 8.603 -10.514 -27.123 101 HG2 PRO 15 2HG PRO 15 7.939 -10.554 -24.204 102 HG3 PRO 15 1HG PRO 15 9.499 -10.828 -25.001 103 HD2 PRO 15 2HD PRO 15 8.914 -8.483 -23.845 104 HD3 PRO 15 1HD PRO 15 9.866 -8.565 -25.340 105 H ARG 16 H ARG 16 6.184 -9.545 -24.192 106 HA ARG 16 HA ARG 16 3.460 -10.049 -25.121 107 HB2 ARG 16 2HB ARG 16 4.918 -11.429 -23.356 108 HB3 ARG 16 1HB ARG 16 4.183 -10.281 -22.246 109 HG2 ARG 16 2HG ARG 16 2.514 -11.836 -24.183 110 HG3 ARG 16 1HG ARG 16 3.017 -12.531 -22.641 111 HD2 ARG 16 2HD ARG 16 1.793 -9.822 -22.622 112 HD3 ARG 16 1HD ARG 16 0.738 -11.203 -22.911 113 HE ARG 16 HE ARG 16 1.169 -11.973 -20.747 114 HH11 ARG 16 1HH1 ARG 16 2.925 -9.023 -21.419 115 HH12 ARG 16 2HH1 ARG 16 3.279 -8.716 -19.754 116 HH21 ARG 16 1HH2 ARG 16 1.640 -11.559 -18.562 117 HH22 ARG 16 2HH2 ARG 16 2.553 -10.150 -18.135 118 H GLY 17 H GLY 17 5.262 -7.923 -22.946 119 HA2 GLY 17 2HA GLY 17 2.851 -6.455 -22.241 120 HA3 GLY 17 1HA GLY 17 4.472 -6.149 -21.639 121 H SER 18 H SER 18 2.283 -5.669 -24.348 122 HA SER 18 HA SER 18 3.861 -3.302 -25.096 123 HB2 SER 18 2HB SER 18 2.951 -5.557 -26.823 124 HB3 SER 18 1HB SER 18 2.905 -3.931 -27.503 125 HG SER 18 HG SER 18 5.173 -5.179 -26.334 126 H HIS 19 H HIS 19 0.788 -4.861 -26.031 127 HA HIS 19 HA HIS 19 -0.520 -2.244 -25.749 128 HB2 HIS 19 2HB HIS 19 -0.550 -3.792 -27.920 129 HB3 HIS 19 1HB HIS 19 -1.901 -4.532 -27.068 130 HD1 HIS 19 1HD HIS 19 -3.226 -3.537 -29.224 131 HD2 HIS 19 2HD HIS 19 -1.838 -0.787 -26.437 132 HE1 HIS 19 1HE HIS 19 -4.517 -1.425 -29.665 133 HE2 HIS 19 2HE HIS 19 -3.601 0.251 -28.023 134 H MET 20 H MET 20 -0.837 -2.341 -23.505 135 HA MET 20 HA MET 20 -1.976 -4.495 -22.118 136 HB2 MET 20 2HB MET 20 -1.784 -1.550 -21.564 137 HB3 MET 20 1HB MET 20 -2.675 -2.607 -20.477 138 HG2 MET 20 2HG MET 20 -0.416 -3.999 -20.620 139 HG3 MET 20 1HG MET 20 0.234 -2.398 -20.969 140 HE1 MET 20 3HE MET 20 -1.784 -3.976 -17.256 141 HE2 MET 20 1HE MET 20 -0.196 -4.627 -17.659 142 HE3 MET 20 2HE MET 20 -1.517 -4.742 -18.822 143 H SER 21 H SER 21 -3.408 -1.901 -23.968 144 HA SER 21 HA SER 21 -6.047 -3.127 -23.533 145 HB2 SER 21 2HB SER 21 -7.025 -0.811 -23.717 146 HB3 SER 21 1HB SER 21 -6.082 -1.094 -22.253 147 HG SER 21 HG SER 21 -5.714 0.756 -24.140 148 H LEU 22 H LEU 22 -7.634 -2.108 -25.262 149 HA LEU 22 HA LEU 22 -6.388 -2.653 -27.842 150 HB2 LEU 22 2HB LEU 22 -9.307 -2.258 -27.192 151 HB3 LEU 22 1HB LEU 22 -8.645 -2.884 -28.690 152 HG LEU 22 HG LEU 22 -7.651 -4.757 -27.174 153 HD11 LEU 22 1HD1 LEU 22 -9.708 -3.479 -25.417 154 HD12 LEU 22 2HD1 LEU 22 -8.088 -4.048 -25.011 155 HD13 LEU 22 3HD1 LEU 22 -9.380 -5.208 -25.313 156 HD21 LEU 22 3HD2 LEU 22 -9.583 -4.789 -28.907 157 HD22 LEU 22 1HD2 LEU 22 -10.622 -4.867 -27.484 158 HD23 LEU 22 2HD2 LEU 22 -9.419 -6.124 -27.766 159 H ASP 23 H ASP 23 -7.931 -0.065 -26.076 160 HA ASP 23 HA ASP 23 -6.823 1.934 -27.739 161 HB2 ASP 23 2HB ASP 23 -8.890 2.860 -28.692 162 HB3 ASP 23 1HB ASP 23 -8.585 1.231 -29.288 163 H GLU 24 H GLU 24 -9.463 1.141 -25.516 164 HA GLU 24 HA GLU 24 -10.176 2.108 -23.588 165 HB2 GLU 24 2HB GLU 24 -7.348 2.965 -23.779 166 HB3 GLU 24 1HB GLU 24 -8.362 3.892 -22.681 167 HG2 GLU 24 2HG GLU 24 -8.735 2.090 -21.291 168 HG3 GLU 24 1HG GLU 24 -8.364 0.911 -22.549 169 H ASN 25 H ASN 25 -8.297 4.884 -24.747 170 HA ASN 25 HA ASN 25 -8.900 7.005 -25.303 171 HB2 ASN 25 2HB ASN 25 -11.136 5.360 -26.407 172 HB3 ASN 25 1HB ASN 25 -11.313 7.112 -26.391 173 HD21 ASN 25 1HD2 ASN 25 -10.524 4.685 -28.319 174 HD22 ASN 25 2HD2 ASN 25 -9.369 5.446 -29.353 175 H GLU 26 H GLU 26 -8.978 6.940 -22.777 176 HA GLU 26 HA GLU 26 -9.872 7.799 -20.870 177 HB2 GLU 26 2HB GLU 26 -11.974 9.086 -22.605 178 HB3 GLU 26 1HB GLU 26 -11.358 9.647 -21.057 179 HG2 GLU 26 2HG GLU 26 -10.084 11.011 -22.268 180 HG3 GLU 26 1HG GLU 26 -9.092 9.583 -22.570 181 H VAL 27 H VAL 27 -10.512 5.673 -20.218 182 HA VAL 27 HA VAL 27 -13.438 5.339 -20.191 183 HB VAL 27 HB VAL 27 -13.031 2.851 -20.151 184 HG11 VAL 27 1HG1 VAL 27 -12.276 2.954 -22.721 185 HG12 VAL 27 2HG1 VAL 27 -12.686 4.650 -22.469 186 HG13 VAL 27 3HG1 VAL 27 -13.892 3.397 -22.171 187 HG21 VAL 27 3HG2 VAL 27 -10.544 3.210 -19.617 188 HG22 VAL 27 1HG2 VAL 27 -10.352 3.471 -21.351 189 HG23 VAL 27 2HG2 VAL 27 -10.971 1.931 -20.754 190 H ALA 28 H ALA 28 -14.185 3.913 -18.394 191 HA ALA 28 HA ALA 28 -12.554 3.307 -16.180 192 HB1 ALA 28 1HB ALA 28 -12.736 5.068 -14.755 193 HB2 ALA 28 2HB ALA 28 -14.285 5.589 -15.418 194 HB3 ALA 28 3HB ALA 28 -12.790 5.954 -16.277 195 H ALA 29 H ALA 29 -14.505 1.939 -17.573 196 HA ALA 29 HA ALA 29 -17.087 2.025 -16.504 197 HB1 ALA 29 1HB ALA 29 -15.513 -0.209 -17.759 198 HB2 ALA 29 2HB ALA 29 -16.764 0.794 -18.492 199 HB3 ALA 29 3HB ALA 29 -17.194 -0.392 -17.259 200 H ASN 30 H ASN 30 -14.820 -0.633 -15.835 201 HA ASN 30 HA ASN 30 -15.311 -0.375 -12.975 202 HB2 ASN 30 2HB ASN 30 -15.844 -2.861 -12.862 203 HB3 ASN 30 1HB ASN 30 -17.111 -1.826 -13.514 204 HD21 ASN 30 1HD2 ASN 30 -15.782 -4.706 -13.895 205 HD22 ASN 30 2HD2 ASN 30 -15.963 -4.932 -15.599 206 H VAL 31 H VAL 31 -13.161 0.015 -12.609 207 HA VAL 31 HA VAL 31 -11.044 -1.462 -13.776 208 HB VAL 31 HB VAL 31 -9.621 -0.438 -12.027 209 HG11 VAL 31 1HG1 VAL 31 -9.760 1.768 -12.846 210 HG12 VAL 31 2HG1 VAL 31 -11.492 1.627 -13.154 211 HG13 VAL 31 3HG1 VAL 31 -10.343 0.738 -14.154 212 HG21 VAL 31 3HG2 VAL 31 -12.261 0.110 -10.831 213 HG22 VAL 31 1HG2 VAL 31 -11.083 1.419 -10.738 214 HG23 VAL 31 2HG2 VAL 31 -10.698 -0.163 -10.061 215 H GLU 32 H GLU 32 -12.865 -1.797 -10.783 216 HA GLU 32 HA GLU 32 -11.662 -4.448 -10.422 217 HB2 GLU 32 2HB GLU 32 -12.059 -2.412 -8.222 218 HB3 GLU 32 1HB GLU 32 -11.556 -4.080 -7.980 219 HG2 GLU 32 2HG GLU 32 -9.646 -3.401 -9.651 220 HG3 GLU 32 1HG GLU 32 -10.035 -1.777 -9.081 221 H THR 33 H THR 33 -12.958 -5.480 -8.395 222 HA THR 33 HA THR 33 -15.748 -4.812 -8.332 223 HB THR 33 HB THR 33 -15.285 -7.568 -9.358 224 HG1 THR 33 1HG THR 33 -14.861 -6.959 -11.339 225 HG21 THR 33 3HG2 THR 33 -17.370 -6.057 -10.628 226 HG22 THR 33 1HG2 THR 33 -17.524 -5.988 -8.873 227 HG23 THR 33 2HG2 THR 33 -17.469 -7.548 -9.692 228 H ARG 34 H ARG 34 -13.761 -5.049 -6.365 229 HA ARG 34 HA ARG 34 -14.189 -7.595 -5.030 230 HB2 ARG 34 2HB ARG 34 -12.425 -5.223 -4.553 231 HB3 ARG 34 1HB ARG 34 -12.740 -6.342 -3.234 232 HG2 ARG 34 2HG ARG 34 -10.713 -7.010 -4.259 233 HG3 ARG 34 1HG ARG 34 -11.941 -8.187 -4.724 234 HD2 ARG 34 2HD ARG 34 -11.676 -5.912 -6.554 235 HD3 ARG 34 1HD ARG 34 -10.243 -6.936 -6.449 236 HE ARG 34 HE ARG 34 -12.729 -7.584 -7.693 237 HH11 ARG 34 1HH1 ARG 34 -9.996 -8.949 -6.007 238 HH12 ARG 34 2HH1 ARG 34 -10.171 -10.513 -6.733 239 HH21 ARG 34 1HH2 ARG 34 -12.961 -9.638 -8.648 240 HH22 ARG 34 2HH2 ARG 34 -11.854 -10.903 -8.232 241 HA PRO 35 HA PRO 35 -17.522 -6.116 -2.525 242 HB2 PRO 35 2HB PRO 35 -17.413 -7.887 -0.492 243 HB3 PRO 35 1HB PRO 35 -17.959 -8.341 -2.111 244 HG2 PRO 35 2HG PRO 35 -15.285 -8.751 -0.827 245 HG3 PRO 35 1HG PRO 35 -16.235 -9.874 -1.818 246 HD2 PRO 35 2HD PRO 35 -14.149 -8.426 -2.799 247 HD3 PRO 35 1HD PRO 35 -15.534 -8.924 -3.790 248 H GLU 36 H GLU 36 -14.531 -6.905 -0.757 249 HA GLU 36 HA GLU 36 -14.602 -4.326 0.556 250 HB2 GLU 36 2HB GLU 36 -15.905 -6.274 1.874 251 HB3 GLU 36 1HB GLU 36 -14.272 -6.582 2.451 252 HG2 GLU 36 2HG GLU 36 -15.837 -4.028 2.707 253 HG3 GLU 36 1HG GLU 36 -15.387 -5.142 3.998 254 H LEU 37 H LEU 37 -12.617 -3.559 0.499 255 HA LEU 37 HA LEU 37 -10.386 -5.390 0.134 256 HB2 LEU 37 2HB LEU 37 -9.122 -3.118 -0.054 257 HB3 LEU 37 1HB LEU 37 -10.133 -3.675 -1.374 258 HG LEU 37 HG LEU 37 -11.388 -1.900 0.657 259 HD11 LEU 37 1HD1 LEU 37 -10.297 -0.006 0.118 260 HD12 LEU 37 2HD1 LEU 37 -10.022 -0.510 -1.549 261 HD13 LEU 37 3HD1 LEU 37 -8.979 -1.114 -0.262 262 HD21 LEU 37 3HD2 LEU 37 -11.688 -1.454 -2.232 263 HD22 LEU 37 1HD2 LEU 37 -12.908 -1.544 -0.962 264 HD23 LEU 37 2HD2 LEU 37 -12.244 -3.024 -1.652 265 H ILE 38 H ILE 38 -8.822 -5.762 1.565 266 HA ILE 38 HA ILE 38 -9.121 -4.589 4.240 267 HB ILE 38 HB ILE 38 -7.221 -6.835 3.766 268 HG12 ILE 38 2HG1 ILE 38 -10.055 -7.596 4.284 269 HG13 ILE 38 1HG1 ILE 38 -9.612 -7.215 2.625 270 HG21 ILE 38 1HG2 ILE 38 -7.184 -6.561 5.978 271 HG22 ILE 38 2HG2 ILE 38 -8.747 -7.376 5.988 272 HG23 ILE 38 3HG2 ILE 38 -8.672 -5.614 5.973 273 HD11 ILE 38 3HD1 ILE 38 -8.530 -9.140 2.365 274 HD12 ILE 38 1HD1 ILE 38 -9.358 -9.653 3.836 275 HD13 ILE 38 2HD1 ILE 38 -7.722 -8.998 3.927 276 H THR 39 H THR 39 -6.709 -4.734 5.351 277 HA THR 39 HA THR 39 -4.634 -3.758 3.583 278 HB THR 39 HB THR 39 -4.531 -1.683 5.287 279 HG1 THR 39 1HG THR 39 -7.305 -2.096 4.912 280 HG21 THR 39 3HG2 THR 39 -6.199 -1.778 2.791 281 HG22 THR 39 1HG2 THR 39 -4.494 -1.349 2.923 282 HG23 THR 39 2HG2 THR 39 -5.723 -0.301 3.629 283 H ARG 40 H ARG 40 -2.847 -4.555 4.273 284 HA ARG 40 HA ARG 40 -2.340 -4.850 7.155 285 HB2 ARG 40 2HB ARG 40 -2.818 -7.005 5.611 286 HB3 ARG 40 1HB ARG 40 -1.103 -6.804 5.278 287 HG2 ARG 40 2HG ARG 40 -0.488 -7.496 7.324 288 HG3 ARG 40 1HG ARG 40 -1.841 -6.689 8.119 289 HD2 ARG 40 2HD ARG 40 -2.614 -8.776 8.418 290 HD3 ARG 40 1HD ARG 40 -3.136 -8.631 6.739 291 HE ARG 40 HE ARG 40 -0.609 -9.575 6.526 292 HH11 ARG 40 1HH1 ARG 40 -3.409 -10.622 8.327 293 HH12 ARG 40 2HH1 ARG 40 -2.967 -12.295 8.281 294 HH21 ARG 40 1HH2 ARG 40 -0.027 -11.776 6.465 295 HH22 ARG 40 2HH2 ARG 40 -1.046 -12.950 7.224 296 H THR 41 H THR 41 0.380 -5.926 6.447 297 HA THR 41 HA THR 41 1.521 -3.694 4.959 298 HB THR 41 HB THR 41 1.873 -4.137 7.889 299 HG1 THR 41 1HG THR 41 0.747 -2.347 7.289 300 HG21 THR 41 3HG2 THR 41 3.987 -2.862 7.883 301 HG22 THR 41 1HG2 THR 41 4.076 -3.077 6.134 302 HG23 THR 41 2HG2 THR 41 4.147 -4.481 7.200 303 H GLU 42 H GLU 42 3.322 -4.170 3.882 304 HA GLU 42 HA GLU 42 4.331 -6.918 4.140 305 HB2 GLU 42 2HB GLU 42 3.366 -6.489 1.966 306 HB3 GLU 42 1HB GLU 42 4.315 -5.019 1.789 307 HG2 GLU 42 2HG GLU 42 5.872 -6.187 0.755 308 HG3 GLU 42 1HG GLU 42 6.154 -7.090 2.243 309 H GLU 43 H GLU 43 6.401 -7.255 4.658 310 HA GLU 43 HA GLU 43 8.013 -5.118 5.588 311 HB2 GLU 43 2HB GLU 43 8.362 -8.061 5.252 312 HB3 GLU 43 1HB GLU 43 9.807 -7.082 5.461 313 HG2 GLU 43 2HG GLU 43 8.283 -6.122 7.463 314 HG3 GLU 43 1HG GLU 43 7.698 -7.784 7.382 315 H ILE 44 H ILE 44 8.382 -3.659 3.956 316 HA ILE 44 HA ILE 44 9.880 -4.625 1.616 317 HB ILE 44 HB ILE 44 8.414 -2.005 1.938 318 HG12 ILE 44 2HG1 ILE 44 7.388 -3.954 -0.000 319 HG13 ILE 44 1HG1 ILE 44 7.275 -4.503 1.669 320 HG21 ILE 44 1HG2 ILE 44 10.369 -2.129 0.336 321 HG22 ILE 44 2HG2 ILE 44 8.826 -1.627 -0.355 322 HG23 ILE 44 3HG2 ILE 44 9.407 -3.274 -0.600 323 HD11 ILE 44 3HD1 ILE 44 5.421 -3.313 1.895 324 HD12 ILE 44 1HD1 ILE 44 5.618 -2.666 0.265 325 HD13 ILE 44 2HD1 ILE 44 6.367 -1.835 1.628 326 HA PRO 45 HA PRO 45 13.056 -2.329 4.019 327 HB2 PRO 45 2HB PRO 45 15.066 -4.055 3.650 328 HB3 PRO 45 1HB PRO 45 13.792 -4.366 4.838 329 HG2 PRO 45 2HG PRO 45 14.101 -5.458 2.066 330 HG3 PRO 45 1HG PRO 45 13.662 -6.310 3.558 331 HD2 PRO 45 2HD PRO 45 11.840 -5.471 1.698 332 HD3 PRO 45 1HD PRO 45 11.467 -5.664 3.423 333 H PHE 46 H PHE 46 15.067 -1.364 3.353 334 HA PHE 46 HA PHE 46 15.084 -0.692 0.533 335 HB2 PHE 46 2HB PHE 46 16.562 1.094 1.138 336 HB3 PHE 46 1HB PHE 46 15.295 1.029 2.357 337 HD1 PHE 46 1HD PHE 46 15.779 0.197 4.608 338 HD2 PHE 46 2HD PHE 46 18.844 0.606 1.683 339 HE1 PHE 46 1HE PHE 46 17.482 0.025 6.373 340 HE2 PHE 46 2HE PHE 46 20.552 0.434 3.445 341 HZ PHE 46 HZ PHE 46 19.873 0.143 5.793 342 H GLU 47 H GLU 47 17.590 -0.147 -0.108 343 HA GLU 47 HA GLU 47 19.313 -2.405 0.496 344 HB2 GLU 47 2HB GLU 47 19.655 -2.846 -1.967 345 HB3 GLU 47 1HB GLU 47 18.105 -3.363 -1.317 346 HG2 GLU 47 2HG GLU 47 17.534 -0.839 -2.157 347 HG3 GLU 47 1HG GLU 47 18.722 -1.357 -3.352 348 H VAL 48 H VAL 48 21.064 -1.309 1.124 349 HA VAL 48 HA VAL 48 21.803 1.242 0.156 350 HB VAL 48 HB VAL 48 22.491 0.441 2.368 351 HG11 VAL 48 1HG1 VAL 48 22.888 -1.920 1.660 352 HG12 VAL 48 2HG1 VAL 48 24.159 -1.244 2.677 353 HG13 VAL 48 3HG1 VAL 48 24.408 -1.392 0.937 354 HG21 VAL 48 3HG2 VAL 48 24.688 1.347 2.375 355 HG22 VAL 48 1HG2 VAL 48 23.790 2.190 1.114 356 HG23 VAL 48 2HG2 VAL 48 24.939 0.924 0.682 357 H ILE 49 H ILE 49 22.797 1.789 -1.661 358 HA ILE 49 HA ILE 49 24.185 -0.298 -3.198 359 HB ILE 49 HB ILE 49 23.253 2.368 -4.248 360 HG12 ILE 49 2HG1 ILE 49 21.298 1.182 -3.428 361 HG13 ILE 49 1HG1 ILE 49 21.312 1.141 -5.188 362 HG21 ILE 49 1HG2 ILE 49 24.811 1.522 -5.739 363 HG22 ILE 49 2HG2 ILE 49 23.284 0.941 -6.403 364 HG23 ILE 49 3HG2 ILE 49 24.310 -0.148 -5.472 365 HD11 ILE 49 3HD1 ILE 49 21.086 -1.010 -3.409 366 HD12 ILE 49 1HD1 ILE 49 22.670 -1.156 -4.170 367 HD13 ILE 49 2HD1 ILE 49 21.217 -1.064 -5.166 368 H LYS 50 H LYS 50 26.137 0.267 -4.329 369 HA LYS 50 HA LYS 50 27.696 2.312 -2.896 370 HB2 LYS 50 2HB LYS 50 29.679 0.972 -3.803 371 HB3 LYS 50 1HB LYS 50 28.728 0.232 -2.523 372 HG2 LYS 50 2HG LYS 50 27.675 -1.247 -4.027 373 HG3 LYS 50 1HG LYS 50 28.257 -0.351 -5.432 374 HD2 LYS 50 2HD LYS 50 30.345 -1.349 -3.610 375 HD3 LYS 50 1HD LYS 50 29.428 -2.592 -4.463 376 HE2 LYS 50 2HE LYS 50 29.920 -1.434 -6.593 377 HE3 LYS 50 1HE LYS 50 30.914 -0.280 -5.705 378 HZ1 LYS 50 3HZ LYS 50 32.336 -2.112 -5.004 379 HZ2 LYS 50 1HZ LYS 50 32.265 -2.013 -6.692 380 HZ3 LYS 50 2HZ LYS 50 31.388 -3.207 -5.876 381 H LYS 51 H LYS 51 27.502 4.130 -4.091 382 HA LYS 51 HA LYS 51 27.661 4.020 -6.988 383 HB2 LYS 51 2HB LYS 51 26.071 5.538 -5.807 384 HB3 LYS 51 1HB LYS 51 27.446 6.434 -5.182 385 HG2 LYS 51 2HG LYS 51 28.118 7.005 -7.458 386 HG3 LYS 51 1HG LYS 51 26.740 6.099 -8.090 387 HD2 LYS 51 2HD LYS 51 26.541 8.467 -6.231 388 HD3 LYS 51 1HD LYS 51 26.338 8.542 -7.982 389 HE2 LYS 51 2HE LYS 51 24.562 6.667 -7.551 390 HE3 LYS 51 1HE LYS 51 24.569 7.317 -5.913 391 HZ1 LYS 51 3HZ LYS 51 23.797 8.667 -8.423 392 HZ2 LYS 51 1HZ LYS 51 24.215 9.556 -7.045 393 HZ3 LYS 51 2HZ LYS 51 22.901 8.492 -6.998 394 H GLU 52 H GLU 52 29.161 5.390 -8.185 395 HA GLU 52 HA GLU 52 31.809 5.376 -6.925 396 HB2 GLU 52 2HB GLU 52 31.086 4.298 -9.271 397 HB3 GLU 52 1HB GLU 52 31.502 5.912 -9.831 398 HG2 GLU 52 2HG GLU 52 33.520 4.910 -10.063 399 HG3 GLU 52 1HG GLU 52 33.671 5.468 -8.397 400 H ASN 53 H ASN 53 32.629 7.227 -6.233 401 HA ASN 53 HA ASN 53 31.800 9.723 -7.562 402 HB2 ASN 53 2HB ASN 53 31.107 9.116 -5.036 403 HB3 ASN 53 1HB ASN 53 32.681 9.843 -4.732 404 HD21 ASN 53 1HD2 ASN 53 30.353 10.956 -3.779 405 HD22 ASN 53 2HD2 ASN 53 30.065 12.456 -4.586 406 HA PRO 54 HA PRO 54 36.328 9.509 -8.176 407 HB2 PRO 54 2HB PRO 54 36.345 11.341 -10.202 408 HB3 PRO 54 1HB PRO 54 36.026 9.619 -10.443 409 HG2 PRO 54 2HG PRO 54 34.093 11.892 -10.224 410 HG3 PRO 54 1HG PRO 54 34.080 10.515 -11.342 411 HD2 PRO 54 2HD PRO 54 32.505 10.601 -9.157 412 HD3 PRO 54 1HD PRO 54 33.194 9.081 -9.762 413 H ASN 55 H ASN 55 34.198 12.230 -7.652 414 HA ASN 55 HA ASN 55 36.126 14.247 -7.312 415 HB2 ASN 55 2HB ASN 55 33.348 13.917 -6.170 416 HB3 ASN 55 1HB ASN 55 34.321 15.366 -5.931 417 HD21 ASN 55 1HD2 ASN 55 31.941 14.077 -7.740 418 HD22 ASN 55 2HD2 ASN 55 32.112 15.016 -9.180 419 H LEU 56 H LEU 56 34.966 11.731 -5.186 420 HA LEU 56 HA LEU 56 35.923 12.787 -2.749 421 HB2 LEU 56 2HB LEU 56 35.019 10.143 -3.733 422 HB3 LEU 56 1HB LEU 56 36.032 10.133 -2.302 423 HG LEU 56 HG LEU 56 34.425 11.694 -1.211 424 HD11 LEU 56 1HD1 LEU 56 32.583 12.509 -2.219 425 HD12 LEU 56 2HD1 LEU 56 32.323 11.047 -3.170 426 HD13 LEU 56 3HD1 LEU 56 33.520 12.235 -3.688 427 HD21 LEU 56 3HD2 LEU 56 33.909 8.913 -1.977 428 HD22 LEU 56 1HD2 LEU 56 32.486 9.799 -1.429 429 HD23 LEU 56 2HD2 LEU 56 33.902 9.675 -0.387 430 HA PRO 57 HA PRO 57 40.213 11.719 -2.936 431 HB2 PRO 57 2HB PRO 57 40.622 11.054 -0.258 432 HB3 PRO 57 1HB PRO 57 40.578 12.687 -0.922 433 HG2 PRO 57 2HG PRO 57 38.716 11.496 0.863 434 HG3 PRO 57 1HG PRO 57 38.608 13.089 0.101 435 HD2 PRO 57 2HD PRO 57 37.286 10.545 -0.645 436 HD3 PRO 57 1HD PRO 57 36.774 12.218 -0.946 437 H ALA 58 H ALA 58 38.373 9.381 -3.394 438 HA ALA 58 HA ALA 58 38.547 7.139 -3.726 439 HB1 ALA 58 1HB ALA 58 40.996 8.102 -4.294 440 HB2 ALA 58 2HB ALA 58 40.559 6.401 -4.432 441 HB3 ALA 58 3HB ALA 58 41.398 6.982 -2.994 442 H GLY 59 H GLY 59 38.433 5.202 -2.591 443 HA2 GLY 59 2HA GLY 59 38.123 3.888 -0.736 444 HA3 GLY 59 1HA GLY 59 39.589 4.635 -0.122 445 H GLN 60 H GLN 60 36.914 6.696 -0.845 446 HA GLN 60 HA GLN 60 36.448 7.031 2.042 447 HB2 GLN 60 2HB GLN 60 37.361 8.972 0.642 448 HB3 GLN 60 1HB GLN 60 35.765 9.046 -0.090 449 HG2 GLN 60 2HG GLN 60 35.162 9.041 2.569 450 HG3 GLN 60 1HG GLN 60 36.677 9.941 2.536 451 HE21 GLN 60 1HE2 GLN 60 33.348 10.061 2.046 452 HE22 GLN 60 2HE2 GLN 60 33.253 11.638 1.346 453 H GLU 61 H GLU 61 34.338 7.237 2.825 454 HA GLU 61 HA GLU 61 32.161 6.662 0.947 455 HB2 GLU 61 2HB GLU 61 31.240 5.069 2.731 456 HB3 GLU 61 1HB GLU 61 32.574 4.494 1.740 457 HG2 GLU 61 2HG GLU 61 34.125 4.758 3.487 458 HG3 GLU 61 1HG GLU 61 33.004 5.732 4.438 459 H ASN 62 H ASN 62 30.209 7.564 1.470 460 HA ASN 62 HA ASN 62 29.973 8.957 4.038 461 HB2 ASN 62 2HB ASN 62 29.036 10.947 2.849 462 HB3 ASN 62 1HB ASN 62 30.745 10.669 2.524 463 HD21 ASN 62 1HD2 ASN 62 31.029 11.426 0.538 464 HD22 ASN 62 2HD2 ASN 62 30.125 10.949 -0.855 465 H ILE 63 H ILE 63 27.731 9.659 4.490 466 HA ILE 63 HA ILE 63 25.786 7.830 3.237 467 HB ILE 63 HB ILE 63 25.597 8.908 6.045 468 HG12 ILE 63 2HG1 ILE 63 27.628 7.503 5.778 469 HG13 ILE 63 1HG1 ILE 63 26.431 6.770 6.842 470 HG21 ILE 63 1HG2 ILE 63 23.558 8.066 4.744 471 HG22 ILE 63 2HG2 ILE 63 23.837 7.405 6.354 472 HG23 ILE 63 3HG2 ILE 63 24.269 6.463 4.927 473 HD11 ILE 63 3HD1 ILE 63 27.136 4.997 5.546 474 HD12 ILE 63 1HD1 ILE 63 27.242 5.974 4.082 475 HD13 ILE 63 2HD1 ILE 63 25.665 5.513 4.724 476 H ILE 64 H ILE 64 25.174 9.394 1.682 477 HA ILE 64 HA ILE 64 24.374 12.024 2.289 478 HB ILE 64 HB ILE 64 23.281 10.366 0.018 479 HG12 ILE 64 2HG1 ILE 64 25.674 10.104 -0.060 480 HG13 ILE 64 1HG1 ILE 64 25.214 11.266 -1.298 481 HG21 ILE 64 1HG2 ILE 64 23.431 12.687 -1.086 482 HG22 ILE 64 2HG2 ILE 64 23.556 13.297 0.564 483 HG23 ILE 64 3HG2 ILE 64 22.131 12.385 0.067 484 HD11 ILE 64 3HD1 ILE 64 26.036 13.077 -0.036 485 HD12 ILE 64 1HD1 ILE 64 27.267 11.816 0.045 486 HD13 ILE 64 2HD1 ILE 64 26.192 12.089 1.417 487 H THR 65 H THR 65 22.466 9.060 1.829 488 HA THR 65 HA THR 65 20.410 10.150 3.590 489 HB THR 65 HB THR 65 19.583 8.851 1.008 490 HG1 THR 65 1HG THR 65 20.189 11.571 1.470 491 HG21 THR 65 3HG2 THR 65 17.875 10.936 1.955 492 HG22 THR 65 1HG2 THR 65 18.171 9.769 3.243 493 HG23 THR 65 2HG2 THR 65 17.520 9.228 1.695 494 H ALA 66 H ALA 66 21.013 8.626 5.121 495 HA ALA 66 HA ALA 66 21.605 5.980 4.847 496 HB1 ALA 66 1HB ALA 66 20.451 5.727 7.140 497 HB2 ALA 66 2HB ALA 66 20.166 7.463 7.015 498 HB3 ALA 66 3HB ALA 66 21.814 6.836 6.995 499 H GLY 67 H GLY 67 20.548 4.072 4.587 500 HA2 GLY 67 2HA GLY 67 17.894 4.198 3.444 501 HA3 GLY 67 1HA GLY 67 18.916 2.772 3.559 502 H VAL 68 H VAL 68 16.010 3.519 4.323 503 HA VAL 68 HA VAL 68 16.097 2.128 6.903 504 HB VAL 68 HB VAL 68 14.274 4.478 6.387 505 HG11 VAL 68 1HG1 VAL 68 14.325 4.166 9.053 506 HG12 VAL 68 2HG1 VAL 68 14.573 2.494 8.551 507 HG13 VAL 68 3HG1 VAL 68 13.146 3.375 8.007 508 HG21 VAL 68 3HG2 VAL 68 16.788 4.364 8.050 509 HG22 VAL 68 1HG2 VAL 68 15.668 5.722 7.969 510 HG23 VAL 68 2HG2 VAL 68 16.582 5.248 6.537 511 H LYS 69 H LYS 69 14.798 0.424 6.926 512 HA LYS 69 HA LYS 69 13.291 -0.403 4.741 513 HB2 LYS 69 2HB LYS 69 12.954 -1.225 7.631 514 HB3 LYS 69 1HB LYS 69 12.355 -2.110 6.235 515 HG2 LYS 69 2HG LYS 69 14.709 -2.359 5.466 516 HG3 LYS 69 1HG LYS 69 15.228 -1.630 6.987 517 HD2 LYS 69 2HD LYS 69 14.298 -3.427 8.251 518 HD3 LYS 69 1HD LYS 69 13.487 -4.085 6.829 519 HE2 LYS 69 2HE LYS 69 15.999 -4.124 5.930 520 HE3 LYS 69 1HE LYS 69 16.326 -4.264 7.657 521 HZ1 LYS 69 3HZ LYS 69 15.081 -6.166 5.844 522 HZ2 LYS 69 1HZ LYS 69 14.403 -6.067 7.392 523 HZ3 LYS 69 2HZ LYS 69 16.043 -6.440 7.208 524 H GLY 70 H GLY 70 11.437 0.313 3.946 525 HA2 GLY 70 2HA GLY 70 9.761 2.101 5.478 526 HA3 GLY 70 1HA GLY 70 9.518 1.611 3.805 527 H GLU 71 H GLU 71 7.290 1.197 4.109 528 HA GLU 71 HA GLU 71 6.666 -1.440 4.802 529 HB2 GLU 71 2HB GLU 71 6.478 0.554 6.972 530 HB3 GLU 71 1HB GLU 71 5.039 -0.428 6.744 531 HG2 GLU 71 2HG GLU 71 5.977 -2.161 7.751 532 HG3 GLU 71 1HG GLU 71 7.387 -2.081 6.696 533 H ARG 72 H ARG 72 5.277 -1.658 3.178 534 HA ARG 72 HA ARG 72 3.347 0.490 2.745 535 HB2 ARG 72 2HB ARG 72 3.418 0.083 0.545 536 HB3 ARG 72 1HB ARG 72 4.907 -0.760 0.898 537 HG2 ARG 72 2HG ARG 72 3.766 -2.875 0.880 538 HG3 ARG 72 1HG ARG 72 2.203 -2.075 0.750 539 HD2 ARG 72 2HD ARG 72 3.192 -3.052 -1.389 540 HD3 ARG 72 1HD ARG 72 2.591 -1.399 -1.452 541 HE ARG 72 HE ARG 72 5.234 -1.104 -0.897 542 HH11 ARG 72 1HH1 ARG 72 3.458 -2.794 -3.379 543 HH12 ARG 72 2HH1 ARG 72 4.704 -2.610 -4.568 544 HH21 ARG 72 1HH2 ARG 72 6.872 -0.860 -2.458 545 HH22 ARG 72 2HH2 ARG 72 6.641 -1.513 -4.045 546 H THR 73 H THR 73 1.246 0.187 2.850 547 HA THR 73 HA THR 73 0.369 -2.066 4.385 548 HB THR 73 HB THR 73 -1.269 0.105 3.093 549 HG1 THR 73 1HG THR 73 0.162 -0.014 5.459 550 HG21 THR 73 3HG2 THR 73 -2.216 -1.295 5.496 551 HG22 THR 73 1HG2 THR 73 -2.281 -2.174 3.966 552 HG23 THR 73 2HG2 THR 73 -3.115 -0.626 4.134 553 H HIS 74 H HIS 74 -0.801 -3.812 3.693 554 HA HIS 74 HA HIS 74 -1.065 -4.026 0.795 555 HB2 HIS 74 2HB HIS 74 -0.006 -5.839 2.825 556 HB3 HIS 74 1HB HIS 74 -1.040 -6.609 1.604 557 HD1 HIS 74 1HD HIS 74 1.947 -4.404 1.943 558 HD2 HIS 74 2HD HIS 74 0.088 -6.809 -0.874 559 HE1 HIS 74 1HE HIS 74 3.504 -4.438 -0.055 560 HE2 HIS 74 2HE HIS 74 2.180 -5.633 -1.835 561 H TYR 75 H TYR 75 -2.907 -4.031 -0.027 562 HA TYR 75 HA TYR 75 -5.240 -4.457 1.623 563 HB2 TYR 75 2HB TYR 75 -5.601 -3.725 -1.217 564 HB3 TYR 75 1HB TYR 75 -6.327 -3.029 0.227 565 HD1 TYR 75 1HD TYR 75 -3.563 -2.451 1.588 566 HD2 TYR 75 2HD TYR 75 -5.132 -1.600 -2.274 567 HE1 TYR 75 1HE TYR 75 -2.022 -0.552 1.392 568 HE2 TYR 75 2HE TYR 75 -3.623 0.331 -2.455 569 HH TYR 75 HH TYR 75 -2.403 1.895 -0.634 570 H ILE 76 H ILE 76 -5.646 -6.539 1.883 571 HA ILE 76 HA ILE 76 -5.502 -8.400 -0.342 572 HB ILE 76 HB ILE 76 -6.354 -8.868 2.519 573 HG12 ILE 76 2HG1 ILE 76 -3.959 -10.080 2.321 574 HG13 ILE 76 1HG1 ILE 76 -3.709 -8.763 1.180 575 HG21 ILE 76 1HG2 ILE 76 -6.716 -10.496 0.301 576 HG22 ILE 76 2HG2 ILE 76 -6.779 -10.991 1.991 577 HG23 ILE 76 3HG2 ILE 76 -5.276 -11.142 1.084 578 HD11 ILE 76 3HD1 ILE 76 -3.174 -7.492 2.907 579 HD12 ILE 76 1HD1 ILE 76 -3.694 -8.730 4.051 580 HD13 ILE 76 2HD1 ILE 76 -4.862 -7.571 3.414 581 H SER 77 H SER 77 -7.238 -9.398 -1.310 582 HA SER 77 HA SER 77 -9.841 -8.147 -0.821 583 HB2 SER 77 2HB SER 77 -9.337 -7.971 -3.102 584 HB3 SER 77 1HB SER 77 -8.639 -9.589 -3.169 585 HG SER 77 HG SER 77 -10.576 -10.429 -3.414 586 H VAL 78 H VAL 78 -11.502 -9.224 0.040 587 HA VAL 78 HA VAL 78 -11.082 -11.920 0.976 588 HB VAL 78 HB VAL 78 -12.194 -10.271 2.415 589 HG11 VAL 78 1HG1 VAL 78 -13.485 -9.424 0.197 590 HG12 VAL 78 2HG1 VAL 78 -14.003 -9.060 1.842 591 HG13 VAL 78 3HG1 VAL 78 -14.747 -10.391 0.960 592 HG21 VAL 78 3HG2 VAL 78 -12.768 -12.859 2.256 593 HG22 VAL 78 1HG2 VAL 78 -14.364 -12.219 1.862 594 HG23 VAL 78 2HG2 VAL 78 -13.591 -11.784 3.385 595 H LEU 79 H LEU 79 -11.553 -13.670 -0.161 596 HA LEU 79 HA LEU 79 -13.642 -13.488 -2.233 597 HB2 LEU 79 2HB LEU 79 -11.221 -15.286 -2.084 598 HB3 LEU 79 1HB LEU 79 -12.471 -15.406 -3.308 599 HG LEU 79 HG LEU 79 -11.827 -12.855 -3.691 600 HD11 LEU 79 1HD1 LEU 79 -9.104 -13.872 -3.102 601 HD12 LEU 79 2HD1 LEU 79 -10.077 -13.291 -1.751 602 HD13 LEU 79 3HD1 LEU 79 -9.722 -12.220 -3.106 603 HD21 LEU 79 3HD2 LEU 79 -10.475 -13.552 -5.532 604 HD22 LEU 79 1HD2 LEU 79 -11.748 -14.753 -5.309 605 HD23 LEU 79 2HD2 LEU 79 -10.110 -15.092 -4.749 606 H THR 80 H THR 80 -15.465 -14.475 -1.704 607 HA THR 80 HA THR 80 -15.480 -16.525 0.356 608 HB THR 80 HB THR 80 -17.835 -15.397 -1.163 609 HG1 THR 80 1HG THR 80 -16.790 -14.508 1.315 610 HG21 THR 80 3HG2 THR 80 -19.127 -16.000 0.790 611 HG22 THR 80 1HG2 THR 80 -17.685 -16.652 1.567 612 HG23 THR 80 2HG2 THR 80 -18.329 -17.420 0.115 613 H GLU 81 H GLU 81 -14.623 -18.355 -0.569 614 HA GLU 81 HA GLU 81 -15.671 -19.333 -3.093 615 HB2 GLU 81 2HB GLU 81 -13.763 -20.781 -1.265 616 HB3 GLU 81 1HB GLU 81 -13.977 -20.993 -2.997 617 HG2 GLU 81 2HG GLU 81 -13.258 -18.406 -2.936 618 HG3 GLU 81 1HG GLU 81 -12.408 -18.998 -1.510 619 H ASN 82 H ASN 82 -17.762 -19.958 -2.794 620 HA ASN 82 HA ASN 82 -19.579 -21.076 -1.965 621 HB2 ASN 82 2HB ASN 82 -19.220 -23.541 -1.841 622 HB3 ASN 82 1HB ASN 82 -18.582 -22.811 -3.310 623 HD21 ASN 82 1HD2 ASN 82 -17.654 -23.871 -0.073 624 HD22 ASN 82 2HD2 ASN 82 -16.043 -24.334 -0.495 625 H GLY 83 H GLY 83 -18.042 -19.705 0.078 626 HA2 GLY 83 2HA GLY 83 -18.710 -19.549 2.365 627 HA3 GLY 83 1HA GLY 83 -18.963 -21.288 2.376 628 H LYS 84 H LYS 84 -16.151 -19.422 1.277 629 HA LYS 84 HA LYS 84 -14.600 -20.344 3.559 630 HB2 LYS 84 2HB LYS 84 -13.970 -21.101 0.706 631 HB3 LYS 84 1HB LYS 84 -12.789 -21.185 2.005 632 HG2 LYS 84 2HG LYS 84 -13.980 -22.883 3.118 633 HG3 LYS 84 1HG LYS 84 -15.420 -22.624 2.133 634 HD2 LYS 84 2HD LYS 84 -14.640 -24.388 0.969 635 HD3 LYS 84 1HD LYS 84 -13.593 -23.184 0.215 636 HE2 LYS 84 2HE LYS 84 -12.936 -25.076 2.459 637 HE3 LYS 84 1HE LYS 84 -12.193 -24.980 0.863 638 HZ1 LYS 84 3HZ LYS 84 -11.343 -22.771 1.476 639 HZ2 LYS 84 1HZ LYS 84 -10.750 -23.993 2.484 640 HZ3 LYS 84 2HZ LYS 84 -11.976 -22.966 3.033 641 H THR 85 H THR 85 -13.872 -18.445 4.276 642 HA THR 85 HA THR 85 -13.101 -16.354 2.408 643 HB THR 85 HB THR 85 -12.637 -15.934 5.292 644 HG1 THR 85 1HG THR 85 -15.285 -16.196 4.321 645 HG21 THR 85 3HG2 THR 85 -14.282 -13.989 4.647 646 HG22 THR 85 1HG2 THR 85 -13.776 -14.418 3.013 647 HG23 THR 85 2HG2 THR 85 -12.574 -13.938 4.211 648 H THR 86 H THR 86 -11.104 -16.196 1.657 649 HA THR 86 HA THR 86 -8.883 -17.147 3.348 650 HB THR 86 HB THR 86 -8.526 -17.144 0.403 651 HG1 THR 86 1HG THR 86 -10.204 -18.965 1.770 652 HG21 THR 86 3HG2 THR 86 -7.447 -19.339 0.918 653 HG22 THR 86 1HG2 THR 86 -7.726 -18.998 2.625 654 HG23 THR 86 2HG2 THR 86 -6.692 -17.933 1.673 655 H GLU 87 H GLU 87 -6.926 -15.996 3.230 656 HA GLU 87 HA GLU 87 -7.272 -13.215 2.390 657 HB2 GLU 87 2HB GLU 87 -5.073 -14.416 4.079 658 HB3 GLU 87 1HB GLU 87 -5.399 -12.706 3.838 659 HG2 GLU 87 2HG GLU 87 -7.379 -14.576 5.100 660 HG3 GLU 87 1HG GLU 87 -6.159 -13.701 6.024 661 H THR 88 H THR 88 -6.650 -12.831 0.363 662 HA THR 88 HA THR 88 -4.045 -13.895 -0.506 663 HB THR 88 HB THR 88 -6.566 -13.619 -2.151 664 HG1 THR 88 1HG THR 88 -5.045 -15.836 -1.272 665 HG21 THR 88 3HG2 THR 88 -3.748 -14.000 -2.979 666 HG22 THR 88 1HG2 THR 88 -5.072 -13.171 -3.799 667 HG23 THR 88 2HG2 THR 88 -4.995 -14.934 -3.809 668 H VAL 89 H VAL 89 -2.632 -12.360 -1.024 669 HA VAL 89 HA VAL 89 -3.139 -9.632 -0.863 670 HB VAL 89 HB VAL 89 -0.880 -10.579 -0.708 671 HG11 VAL 89 1HG1 VAL 89 0.152 -11.748 -2.331 672 HG12 VAL 89 2HG1 VAL 89 -0.503 -10.739 -3.621 673 HG13 VAL 89 3HG1 VAL 89 -1.491 -12.018 -2.911 674 HG21 VAL 89 3HG2 VAL 89 -1.315 -8.173 -1.349 675 HG22 VAL 89 1HG2 VAL 89 -0.966 -8.644 -3.012 676 HG23 VAL 89 2HG2 VAL 89 0.276 -8.806 -1.770 677 H LEU 90 H LEU 90 -4.206 -8.288 -2.156 678 HA LEU 90 HA LEU 90 -4.661 -9.097 -4.941 679 HB2 LEU 90 2HB LEU 90 -6.433 -8.265 -2.997 680 HB3 LEU 90 1HB LEU 90 -6.209 -6.822 -3.967 681 HG LEU 90 HG LEU 90 -8.140 -8.163 -4.701 682 HD11 LEU 90 1HD1 LEU 90 -6.124 -8.395 -6.884 683 HD12 LEU 90 2HD1 LEU 90 -6.529 -6.803 -6.242 684 HD13 LEU 90 3HD1 LEU 90 -7.788 -7.819 -6.944 685 HD21 LEU 90 3HD2 LEU 90 -6.470 -10.243 -5.931 686 HD22 LEU 90 1HD2 LEU 90 -8.060 -10.358 -5.177 687 HD23 LEU 90 2HD2 LEU 90 -6.609 -10.337 -4.176 688 H ASP 91 H ASP 91 -4.553 -5.930 -3.297 689 HA ASP 91 HA ASP 91 -2.440 -5.069 -5.112 690 HB2 ASP 91 2HB ASP 91 -4.993 -4.592 -5.874 691 HB3 ASP 91 1HB ASP 91 -4.685 -3.154 -4.904 692 H SER 92 H SER 92 -1.096 -3.598 -4.243 693 HA SER 92 HA SER 92 -1.931 -2.055 -1.908 694 HB2 SER 92 2HB SER 92 -0.333 -2.786 -0.451 695 HB3 SER 92 1HB SER 92 -0.756 -4.295 -1.265 696 HG SER 92 HG SER 92 1.086 -4.102 -2.526 697 H GLN 93 H GLN 93 -0.694 -0.248 -1.507 698 HA GLN 93 HA GLN 93 1.080 0.587 -3.696 699 HB2 GLN 93 2HB GLN 93 -1.036 2.035 -2.167 700 HB3 GLN 93 1HB GLN 93 0.389 2.945 -2.643 701 HG2 GLN 93 2HG GLN 93 -1.539 1.501 -4.441 702 HG3 GLN 93 1HG GLN 93 -1.307 3.243 -4.294 703 HE21 GLN 93 1HE2 GLN 93 -0.445 0.465 -5.960 704 HE22 GLN 93 2HE2 GLN 93 0.893 1.100 -6.849 705 H VAL 94 H VAL 94 2.755 2.270 -2.874 706 HA VAL 94 HA VAL 94 3.954 1.088 -0.524 707 HB VAL 94 HB VAL 94 5.382 1.599 -2.447 708 HG11 VAL 94 1HG1 VAL 94 5.428 4.492 -2.048 709 HG12 VAL 94 2HG1 VAL 94 3.900 3.887 -2.689 710 HG13 VAL 94 3HG1 VAL 94 5.408 3.550 -3.539 711 HG21 VAL 94 3HG2 VAL 94 6.335 3.570 -0.450 712 HG22 VAL 94 1HG2 VAL 94 7.176 2.211 -1.195 713 HG23 VAL 94 2HG2 VAL 94 6.032 1.926 0.116 714 H THR 95 H THR 95 3.122 1.735 1.359 715 HA THR 95 HA THR 95 2.657 4.617 1.719 716 HB THR 95 HB THR 95 0.882 4.132 3.199 717 HG1 THR 95 1HG THR 95 0.529 2.079 4.054 718 HG21 THR 95 3HG2 THR 95 -0.471 3.555 1.547 719 HG22 THR 95 1HG2 THR 95 -0.093 1.859 1.877 720 HG23 THR 95 2HG2 THR 95 0.841 2.763 0.678 721 H LYS 96 H LYS 96 4.859 4.832 2.205 722 HA LYS 96 HA LYS 96 5.606 5.341 4.714 723 HB2 LYS 96 2HB LYS 96 5.776 2.431 4.245 724 HB3 LYS 96 1HB LYS 96 7.202 3.153 4.967 725 HG2 LYS 96 2HG LYS 96 4.640 3.940 6.179 726 HG3 LYS 96 1HG LYS 96 5.091 2.245 6.372 727 HD2 LYS 96 2HD LYS 96 5.916 3.579 8.239 728 HD3 LYS 96 1HD LYS 96 7.256 2.928 7.292 729 HE2 LYS 96 2HE LYS 96 7.868 4.979 6.491 730 HE3 LYS 96 1HE LYS 96 6.228 5.623 6.582 731 HZ1 LYS 96 3HZ LYS 96 6.598 5.433 9.110 732 HZ2 LYS 96 1HZ LYS 96 7.312 6.721 8.278 733 HZ3 LYS 96 2HZ LYS 96 8.242 5.379 8.717 734 H GLU 97 H GLU 97 6.560 3.944 1.677 735 HA GLU 97 HA GLU 97 8.297 4.337 0.273 736 HB2 GLU 97 2HB GLU 97 8.182 6.812 1.920 737 HB3 GLU 97 1HB GLU 97 9.626 6.557 0.950 738 HG2 GLU 97 2HG GLU 97 7.122 6.110 -0.492 739 HG3 GLU 97 1HG GLU 97 7.345 7.761 0.089 740 H VAL 98 H VAL 98 9.737 2.727 0.563 741 HA VAL 98 HA VAL 98 11.296 2.444 2.936 742 HB VAL 98 HB VAL 98 10.738 0.487 1.577 743 HG11 VAL 98 1HG1 VAL 98 12.689 0.785 -0.510 744 HG12 VAL 98 2HG1 VAL 98 11.518 2.104 -0.574 745 HG13 VAL 98 3HG1 VAL 98 10.965 0.431 -0.632 746 HG21 VAL 98 3HG2 VAL 98 13.323 1.150 2.570 747 HG22 VAL 98 1HG2 VAL 98 13.505 0.140 1.137 748 HG23 VAL 98 2HG2 VAL 98 12.537 -0.427 2.495 749 H ILE 99 H ILE 99 12.668 3.997 3.418 750 HA ILE 99 HA ILE 99 14.029 5.624 1.562 751 HB ILE 99 HB ILE 99 14.765 5.060 4.440 752 HG12 ILE 99 2HG1 ILE 99 13.658 7.498 4.500 753 HG13 ILE 99 1HG1 ILE 99 12.775 6.840 3.125 754 HG21 ILE 99 1HG2 ILE 99 15.561 7.355 2.652 755 HG22 ILE 99 2HG2 ILE 99 16.614 6.035 3.165 756 HG23 ILE 99 3HG2 ILE 99 15.978 7.170 4.357 757 HD11 ILE 99 3HD1 ILE 99 12.302 6.450 5.885 758 HD12 ILE 99 1HD1 ILE 99 12.756 4.897 5.183 759 HD13 ILE 99 2HD1 ILE 99 11.405 5.807 4.509 760 H ASN 100 H ASN 100 15.793 5.306 0.396 761 HA ASN 100 HA ASN 100 17.289 2.829 0.744 762 HB2 ASN 100 2HB ASN 100 17.205 4.886 -1.462 763 HB3 ASN 100 1HB ASN 100 18.358 3.555 -1.446 764 HD21 ASN 100 1HD2 ASN 100 17.769 1.865 -2.574 765 HD22 ASN 100 2HD2 ASN 100 16.147 1.361 -2.895 766 H GLN 101 H GLN 101 19.499 2.720 1.050 767 HA GLN 101 HA GLN 101 20.644 4.975 2.451 768 HB2 GLN 101 2HB GLN 101 20.866 2.609 3.246 769 HB3 GLN 101 1HB GLN 101 21.899 2.296 1.860 770 HG2 GLN 101 2HG GLN 101 23.672 3.200 2.843 771 HG3 GLN 101 1HG GLN 101 22.760 4.611 3.378 772 HE21 GLN 101 1HE2 GLN 101 23.884 4.558 5.354 773 HE22 GLN 101 2HE2 GLN 101 23.481 3.416 6.586 774 H VAL 102 H VAL 102 21.299 6.566 1.110 775 HA VAL 102 HA VAL 102 22.660 5.963 -1.374 776 HB VAL 102 HB VAL 102 22.236 8.672 -0.115 777 HG11 VAL 102 1HG1 VAL 102 23.703 9.107 -1.799 778 HG12 VAL 102 2HG1 VAL 102 22.204 9.141 -2.729 779 HG13 VAL 102 3HG1 VAL 102 23.216 7.695 -2.737 780 HG21 VAL 102 3HG2 VAL 102 20.192 8.876 -1.290 781 HG22 VAL 102 1HG2 VAL 102 20.125 7.329 -0.448 782 HG23 VAL 102 2HG2 VAL 102 20.469 7.377 -2.176 783 H VAL 103 H VAL 103 24.662 5.146 -1.015 784 HA VAL 103 HA VAL 103 26.530 6.844 0.504 785 HB VAL 103 HB VAL 103 27.803 4.786 1.070 786 HG11 VAL 103 1HG1 VAL 103 25.007 4.490 2.107 787 HG12 VAL 103 2HG1 VAL 103 25.987 5.897 2.518 788 HG13 VAL 103 3HG1 VAL 103 26.539 4.280 2.957 789 HG21 VAL 103 3HG2 VAL 103 26.518 2.620 0.922 790 HG22 VAL 103 1HG2 VAL 103 27.113 3.259 -0.610 791 HG23 VAL 103 2HG2 VAL 103 25.414 3.445 -0.179 792 H GLU 104 H GLU 104 28.076 7.666 -0.730 793 HA GLU 104 HA GLU 104 28.683 6.378 -3.293 794 HB2 GLU 104 2HB GLU 104 29.597 9.111 -2.417 795 HB3 GLU 104 1HB GLU 104 29.488 8.473 -4.052 796 HG2 GLU 104 2HG GLU 104 26.978 8.341 -3.658 797 HG3 GLU 104 1HG GLU 104 27.267 9.346 -2.239 798 H VAL 105 H VAL 105 30.610 5.474 -3.703 799 HA VAL 105 HA VAL 105 32.684 5.694 -1.624 800 HB VAL 105 HB VAL 105 33.553 3.532 -2.630 801 HG11 VAL 105 1HG1 VAL 105 30.792 3.342 -1.442 802 HG12 VAL 105 2HG1 VAL 105 32.233 3.742 -0.507 803 HG13 VAL 105 3HG1 VAL 105 32.109 2.176 -1.308 804 HG21 VAL 105 3HG2 VAL 105 30.789 3.328 -3.804 805 HG22 VAL 105 1HG2 VAL 105 32.141 2.213 -4.000 806 HG23 VAL 105 2HG2 VAL 105 32.201 3.810 -4.744 807 H GLY 106 H GLY 106 34.585 6.578 -2.134 808 HA2 GLY 106 2HA GLY 106 35.043 7.872 -4.571 809 HA3 GLY 106 1HA GLY 106 36.271 7.531 -3.363 810 H ALA 107 H ALA 107 36.056 7.355 -6.428 811 HA ALA 107 HA ALA 107 37.849 5.198 -6.746 812 HB1 ALA 107 1HB ALA 107 36.075 4.043 -8.405 813 HB2 ALA 107 2HB ALA 107 34.985 4.620 -7.145 814 HB3 ALA 107 3HB ALA 107 36.317 3.541 -6.732 815 HA PRO 108 HA PRO 108 37.721 8.436 -10.090 816 HB2 PRO 108 2HB PRO 108 40.362 9.039 -9.980 817 HB3 PRO 108 1HB PRO 108 39.162 9.806 -8.936 818 HG2 PRO 108 2HG PRO 108 41.030 7.546 -8.330 819 HG3 PRO 108 1HG PRO 108 40.610 8.948 -7.330 820 HD2 PRO 108 2HD PRO 108 39.512 6.502 -6.949 821 HD3 PRO 108 1HD PRO 108 38.631 8.008 -6.618 822 H VAL 109 H VAL 109 38.371 8.189 -12.210 823 HA VAL 109 HA VAL 109 40.311 6.138 -12.899 824 HB VAL 109 HB VAL 109 38.693 5.117 -14.558 825 HG11 VAL 109 1HG1 VAL 109 37.644 3.651 -12.852 826 HG12 VAL 109 2HG1 VAL 109 38.206 4.763 -11.604 827 HG13 VAL 109 3HG1 VAL 109 39.373 3.895 -12.602 828 HG21 VAL 109 3HG2 VAL 109 36.806 6.794 -12.947 829 HG22 VAL 109 1HG2 VAL 109 36.263 5.289 -13.689 830 HG23 VAL 109 2HG2 VAL 109 36.900 6.589 -14.696 831 H THR 110 H THR 110 37.868 8.396 -14.153 832 HA THR 110 HA THR 110 37.906 9.883 -15.873 833 HB THR 110 HB THR 110 40.859 9.845 -16.118 834 HG1 THR 110 1HG THR 110 41.055 10.937 -14.105 835 HG21 THR 110 3HG2 THR 110 38.734 11.723 -16.467 836 HG22 THR 110 1HG2 THR 110 40.433 11.853 -16.928 837 HG23 THR 110 2HG2 THR 110 39.914 12.353 -15.318 838 H HIS 111 H HIS 111 39.213 10.254 -18.130 839 HA HIS 111 HA HIS 111 40.047 7.840 -19.418 840 HB2 HIS 111 2HB HIS 111 37.444 7.777 -19.242 841 HB3 HIS 111 1HB HIS 111 37.502 8.974 -20.532 842 HD1 HIS 111 1HD HIS 111 39.684 7.852 -22.313 843 HD2 HIS 111 2HD HIS 111 36.758 5.496 -20.534 844 HE1 HIS 111 1HE HIS 111 39.545 5.773 -23.721 845 HE2 HIS 111 2HE HIS 111 37.832 4.324 -22.574 Start of MODEL 21 1 H1 MET 1 1HT MET 1 -18.196 14.005 -8.100 2 H2 MET 1 2HT MET 1 -17.398 12.619 -8.721 3 H3 MET 1 3HT MET 1 -16.496 13.854 -7.946 4 HA MET 1 HA MET 1 -17.323 13.345 -5.883 5 HB2 MET 1 2HB MET 1 -19.437 12.002 -7.509 6 HB3 MET 1 1HB MET 1 -19.115 11.388 -5.893 7 HG2 MET 1 2HG MET 1 -19.461 14.305 -6.131 8 HG3 MET 1 1HG MET 1 -20.891 13.318 -6.425 9 HE1 MET 1 2HE MET 1 -21.518 14.744 -3.009 10 HE2 MET 1 3HE MET 1 -22.492 13.520 -3.824 11 HE3 MET 1 1HE MET 1 -21.760 14.828 -4.753 12 H GLY 2 H GLY 2 -15.211 12.377 -7.532 13 HA2 GLY 2 2HA GLY 2 -13.595 10.746 -7.469 14 HA3 GLY 2 1HA GLY 2 -14.403 10.123 -6.039 15 H SER 3 H SER 3 -13.382 9.262 -8.992 16 HA SER 3 HA SER 3 -14.768 6.816 -9.022 17 HB2 SER 3 2HB SER 3 -15.977 7.229 -11.247 18 HB3 SER 3 1HB SER 3 -16.714 7.913 -9.799 19 HG SER 3 HG SER 3 -16.617 9.412 -11.538 20 H SER 4 H SER 4 -13.698 9.043 -11.598 21 HA SER 4 HA SER 4 -12.088 8.861 -13.193 22 HB2 SER 4 2HB SER 4 -10.906 7.426 -10.862 23 HB3 SER 4 1HB SER 4 -10.106 7.254 -12.425 24 HG SER 4 HG SER 4 -9.461 9.082 -11.000 25 H HIS 5 H HIS 5 -14.356 7.045 -13.225 26 HA HIS 5 HA HIS 5 -15.129 5.266 -14.410 27 HB2 HIS 5 2HB HIS 5 -12.581 5.952 -15.792 28 HB3 HIS 5 1HB HIS 5 -13.352 4.424 -16.206 29 HD1 HIS 5 1HD HIS 5 -14.623 7.995 -15.758 30 HD2 HIS 5 2HD HIS 5 -14.914 4.775 -18.369 31 HE1 HIS 5 1HE HIS 5 -16.163 8.756 -17.594 32 HE2 HIS 5 2HE HIS 5 -16.393 6.762 -19.117 33 H HIS 6 H HIS 6 -14.334 2.922 -15.214 34 HA HIS 6 HA HIS 6 -12.444 1.726 -13.366 35 HB2 HIS 6 2HB HIS 6 -15.392 1.407 -13.132 36 HB3 HIS 6 1HB HIS 6 -14.411 -0.038 -12.918 37 HD1 HIS 6 1HD HIS 6 -12.156 0.752 -11.224 38 HD2 HIS 6 2HD HIS 6 -15.928 2.415 -10.694 39 HE1 HIS 6 1HE HIS 6 -12.186 1.612 -8.860 40 HE2 HIS 6 2HE HIS 6 -14.506 2.536 -8.536 41 H HIS 7 H HIS 7 -11.414 1.387 -15.442 42 HA HIS 7 HA HIS 7 -12.570 -0.894 -16.907 43 HB2 HIS 7 2HB HIS 7 -11.117 1.536 -17.893 44 HB3 HIS 7 1HB HIS 7 -11.030 0.036 -18.809 45 HD1 HIS 7 1HD HIS 7 -12.435 2.668 -19.820 46 HD2 HIS 7 2HD HIS 7 -14.349 -0.606 -18.122 47 HE1 HIS 7 1HE HIS 7 -14.806 2.771 -20.652 48 HE2 HIS 7 2HE HIS 7 -15.967 0.828 -19.544 49 H HIS 8 H HIS 8 -9.583 0.667 -15.824 50 HA HIS 8 HA HIS 8 -7.825 -1.389 -16.613 51 HB2 HIS 8 2HB HIS 8 -6.302 -0.356 -14.850 52 HB3 HIS 8 1HB HIS 8 -6.858 0.718 -16.131 53 HD1 HIS 8 1HD HIS 8 -6.402 2.730 -14.506 54 HD2 HIS 8 2HD HIS 8 -9.367 0.105 -13.253 55 HE1 HIS 8 1HE HIS 8 -7.639 3.936 -12.680 56 HE2 HIS 8 2HE HIS 8 -9.374 2.294 -11.877 57 H HIS 9 H HIS 9 -8.975 -3.305 -15.973 58 HA HIS 9 HA HIS 9 -8.733 -3.898 -13.096 59 HB2 HIS 9 2HB HIS 9 -11.072 -3.869 -14.193 60 HB3 HIS 9 1HB HIS 9 -10.577 -5.374 -14.961 61 HD1 HIS 9 1HD HIS 9 -9.615 -4.566 -11.424 62 HD2 HIS 9 2HD HIS 9 -12.333 -6.941 -13.482 63 HE1 HIS 9 1HE HIS 9 -10.615 -6.093 -9.697 64 HE2 HIS 9 2HE HIS 9 -12.192 -7.581 -10.980 65 H SER 10 H SER 10 -8.480 -6.308 -12.674 66 HA SER 10 HA SER 10 -6.094 -7.211 -13.825 67 HB2 SER 10 2HB SER 10 -6.603 -9.366 -12.660 68 HB3 SER 10 1HB SER 10 -6.749 -7.951 -11.617 69 HG SER 10 HG SER 10 -8.962 -9.073 -12.975 70 H SER 11 H SER 11 -5.761 -9.267 -14.987 71 HA SER 11 HA SER 11 -6.031 -10.580 -16.824 72 HB2 SER 11 2HB SER 11 -8.992 -10.456 -16.766 73 HB3 SER 11 1HB SER 11 -7.923 -11.854 -16.857 74 HG SER 11 HG SER 11 -9.146 -10.814 -14.717 75 H GLY 12 H GLY 12 -7.790 -10.670 -18.893 76 HA2 GLY 12 2HA GLY 12 -8.891 -8.438 -19.981 77 HA3 GLY 12 1HA GLY 12 -7.172 -8.211 -20.266 78 H LEU 13 H LEU 13 -6.756 -11.138 -20.539 79 HA LEU 13 HA LEU 13 -7.652 -11.338 -23.321 80 HB2 LEU 13 2HB LEU 13 -5.206 -11.545 -22.640 81 HB3 LEU 13 1HB LEU 13 -5.635 -13.094 -21.940 82 HG LEU 13 HG LEU 13 -6.607 -13.523 -24.374 83 HD11 LEU 13 1HD1 LEU 13 -4.895 -12.530 -25.986 84 HD12 LEU 13 2HD1 LEU 13 -4.570 -11.348 -24.718 85 HD13 LEU 13 3HD1 LEU 13 -6.186 -11.472 -25.416 86 HD21 LEU 13 3HD2 LEU 13 -3.656 -13.719 -24.233 87 HD22 LEU 13 1HD2 LEU 13 -4.856 -14.942 -24.650 88 HD23 LEU 13 2HD2 LEU 13 -4.581 -14.517 -22.961 89 H VAL 14 H VAL 14 -9.449 -11.875 -21.102 90 HA VAL 14 HA VAL 14 -11.050 -13.376 -20.494 91 HB VAL 14 HB VAL 14 -10.217 -14.956 -22.928 92 HG11 VAL 14 1HG1 VAL 14 -11.880 -15.799 -21.073 93 HG12 VAL 14 2HG1 VAL 14 -12.217 -16.060 -22.785 94 HG13 VAL 14 3HG1 VAL 14 -13.010 -14.743 -21.921 95 HG21 VAL 14 3HG2 VAL 14 -12.349 -13.554 -23.772 96 HG22 VAL 14 1HG2 VAL 14 -10.683 -13.028 -24.012 97 HG23 VAL 14 2HG2 VAL 14 -11.628 -12.375 -22.675 98 HA PRO 15 HA PRO 15 -7.963 -16.131 -18.479 99 HB2 PRO 15 2HB PRO 15 -9.091 -15.985 -16.015 100 HB3 PRO 15 1HB PRO 15 -7.958 -14.773 -16.625 101 HG2 PRO 15 2HG PRO 15 -10.949 -14.688 -16.522 102 HG3 PRO 15 1HG PRO 15 -9.780 -13.415 -16.127 103 HD2 PRO 15 2HD PRO 15 -11.101 -13.494 -18.489 104 HD3 PRO 15 1HD PRO 15 -9.453 -12.854 -18.339 105 H ARG 16 H ARG 16 -8.148 -18.290 -18.175 106 HA ARG 16 HA ARG 16 -10.691 -19.526 -18.717 107 HB2 ARG 16 2HB ARG 16 -7.908 -20.570 -18.256 108 HB3 ARG 16 1HB ARG 16 -9.284 -21.658 -18.360 109 HG2 ARG 16 2HG ARG 16 -8.619 -21.686 -20.530 110 HG3 ARG 16 1HG ARG 16 -9.727 -20.315 -20.590 111 HD2 ARG 16 2HD ARG 16 -7.973 -19.276 -21.552 112 HD3 ARG 16 1HD ARG 16 -7.449 -19.061 -19.882 113 HE ARG 16 HE ARG 16 -6.483 -21.520 -20.815 114 HH11 ARG 16 1HH1 ARG 16 -6.016 -18.105 -21.356 115 HH12 ARG 16 2HH1 ARG 16 -4.365 -18.281 -21.844 116 HH21 ARG 16 1HH2 ARG 16 -4.310 -21.754 -21.455 117 HH22 ARG 16 2HH2 ARG 16 -3.396 -20.353 -21.902 118 H GLY 17 H GLY 17 -10.980 -21.702 -17.301 119 HA2 GLY 17 2HA GLY 17 -10.919 -22.569 -15.037 120 HA3 GLY 17 1HA GLY 17 -10.849 -20.910 -14.461 121 H SER 18 H SER 18 -12.984 -22.648 -16.728 122 HA SER 18 HA SER 18 -15.276 -21.539 -15.258 123 HB2 SER 18 2HB SER 18 -15.695 -22.790 -17.916 124 HB3 SER 18 1HB SER 18 -16.408 -21.329 -17.230 125 HG SER 18 HG SER 18 -14.648 -21.303 -19.027 126 H HIS 19 H HIS 19 -14.464 -24.461 -17.140 127 HA HIS 19 HA HIS 19 -14.881 -26.667 -16.772 128 HB2 HIS 19 2HB HIS 19 -14.027 -26.110 -14.456 129 HB3 HIS 19 1HB HIS 19 -15.707 -25.916 -13.965 130 HD1 HIS 19 1HD HIS 19 -14.238 -28.665 -16.133 131 HD2 HIS 19 2HD HIS 19 -16.098 -28.144 -12.454 132 HE1 HIS 19 1HE HIS 19 -14.621 -30.984 -15.240 133 HE2 HIS 19 2HE HIS 19 -15.825 -30.646 -13.053 134 H MET 20 H MET 20 -17.332 -25.069 -14.729 135 HA MET 20 HA MET 20 -19.422 -26.767 -15.615 136 HB2 MET 20 2HB MET 20 -19.135 -25.157 -13.486 137 HB3 MET 20 1HB MET 20 -20.098 -24.097 -14.508 138 HG2 MET 20 2HG MET 20 -21.816 -25.811 -14.685 139 HG3 MET 20 1HG MET 20 -20.848 -26.896 -13.690 140 HE1 MET 20 3HE MET 20 -19.788 -26.065 -11.601 141 HE2 MET 20 1HE MET 20 -21.156 -26.602 -10.628 142 HE3 MET 20 2HE MET 20 -20.517 -24.971 -10.428 143 H SER 21 H SER 21 -19.598 -26.720 -17.837 144 HA SER 21 HA SER 21 -20.692 -24.226 -18.946 145 HB2 SER 21 2HB SER 21 -18.436 -25.885 -19.958 146 HB3 SER 21 1HB SER 21 -19.543 -25.205 -21.152 147 HG SER 21 HG SER 21 -19.140 -23.142 -20.167 148 H LEU 22 H LEU 22 -22.752 -25.236 -18.492 149 HA LEU 22 HA LEU 22 -23.618 -26.899 -20.715 150 HB2 LEU 22 2HB LEU 22 -24.914 -28.351 -19.054 151 HB3 LEU 22 1HB LEU 22 -23.198 -28.659 -19.245 152 HG LEU 22 HG LEU 22 -24.050 -26.820 -17.063 153 HD11 LEU 22 1HD1 LEU 22 -24.202 -28.929 -15.609 154 HD12 LEU 22 2HD1 LEU 22 -24.519 -29.778 -17.123 155 HD13 LEU 22 3HD1 LEU 22 -25.601 -28.492 -16.591 156 HD21 LEU 22 3HD2 LEU 22 -21.895 -28.905 -17.374 157 HD22 LEU 22 1HD2 LEU 22 -22.149 -27.922 -15.932 158 HD23 LEU 22 2HD2 LEU 22 -21.693 -27.155 -17.453 159 H ASP 23 H ASP 23 -26.029 -27.108 -20.759 160 HA ASP 23 HA ASP 23 -27.212 -24.549 -20.435 161 HB2 ASP 23 2HB ASP 23 -27.768 -26.412 -22.150 162 HB3 ASP 23 1HB ASP 23 -28.794 -27.068 -20.877 163 H GLU 24 H GLU 24 -27.851 -27.677 -18.847 164 HA GLU 24 HA GLU 24 -29.710 -26.614 -16.987 165 HB2 GLU 24 2HB GLU 24 -29.271 -29.082 -17.753 166 HB3 GLU 24 1HB GLU 24 -28.121 -29.090 -16.423 167 HG2 GLU 24 2HG GLU 24 -29.725 -29.153 -14.863 168 HG3 GLU 24 1HG GLU 24 -30.774 -28.045 -15.746 169 H ASN 25 H ASN 25 -29.435 -26.457 -14.670 170 HA ASN 25 HA ASN 25 -26.675 -25.956 -13.802 171 HB2 ASN 25 2HB ASN 25 -28.967 -24.060 -13.820 172 HB3 ASN 25 1HB ASN 25 -27.911 -24.032 -12.410 173 HD21 ASN 25 1HD2 ASN 25 -28.298 -21.981 -14.393 174 HD22 ASN 25 2HD2 ASN 25 -26.756 -21.691 -15.116 175 H GLU 26 H GLU 26 -26.202 -26.998 -11.987 176 HA GLU 26 HA GLU 26 -28.086 -28.575 -10.607 177 HB2 GLU 26 2HB GLU 26 -25.328 -27.690 -9.736 178 HB3 GLU 26 1HB GLU 26 -26.263 -28.981 -8.994 179 HG2 GLU 26 2HG GLU 26 -25.266 -28.940 -11.834 180 HG3 GLU 26 1HG GLU 26 -24.554 -29.847 -10.499 181 H VAL 27 H VAL 27 -26.208 -25.819 -9.333 182 HA VAL 27 HA VAL 27 -28.434 -25.285 -7.481 183 HB VAL 27 HB VAL 27 -26.311 -25.844 -6.372 184 HG11 VAL 27 1HG1 VAL 27 -24.322 -24.940 -6.876 185 HG12 VAL 27 2HG1 VAL 27 -24.993 -23.317 -7.049 186 HG13 VAL 27 3HG1 VAL 27 -25.103 -24.465 -8.385 187 HG21 VAL 27 3HG2 VAL 27 -26.503 -24.252 -4.722 188 HG22 VAL 27 1HG2 VAL 27 -28.033 -24.042 -5.574 189 HG23 VAL 27 2HG2 VAL 27 -26.698 -22.928 -5.872 190 H ALA 28 H ALA 28 -26.305 -23.900 -9.880 191 HA ALA 28 HA ALA 28 -26.335 -21.928 -11.016 192 HB1 ALA 28 1HB ALA 28 -28.693 -20.723 -10.839 193 HB2 ALA 28 2HB ALA 28 -29.165 -22.299 -10.206 194 HB3 ALA 28 3HB ALA 28 -28.454 -22.173 -11.814 195 H ALA 29 H ALA 29 -24.859 -20.726 -9.898 196 HA ALA 29 HA ALA 29 -25.921 -18.578 -8.272 197 HB1 ALA 29 1HB ALA 29 -25.517 -20.369 -6.631 198 HB2 ALA 29 2HB ALA 29 -24.479 -18.968 -6.367 199 HB3 ALA 29 3HB ALA 29 -23.824 -20.418 -7.127 200 H ASN 30 H ASN 30 -24.914 -16.751 -8.792 201 HA ASN 30 HA ASN 30 -22.137 -16.885 -9.748 202 HB2 ASN 30 2HB ASN 30 -24.485 -15.536 -11.059 203 HB3 ASN 30 1HB ASN 30 -22.839 -14.982 -11.350 204 HD21 ASN 30 1HD2 ASN 30 -24.940 -17.806 -11.517 205 HD22 ASN 30 2HD2 ASN 30 -24.111 -18.569 -12.827 206 H VAL 31 H VAL 31 -24.509 -14.265 -9.334 207 HA VAL 31 HA VAL 31 -24.452 -12.333 -8.134 208 HB VAL 31 HB VAL 31 -22.589 -13.785 -6.256 209 HG11 VAL 31 1HG1 VAL 31 -24.625 -11.800 -5.389 210 HG12 VAL 31 2HG1 VAL 31 -23.158 -11.208 -6.168 211 HG13 VAL 31 3HG1 VAL 31 -23.047 -12.176 -4.699 212 HG21 VAL 31 3HG2 VAL 31 -24.997 -14.029 -5.087 213 HG22 VAL 31 1HG2 VAL 31 -24.292 -15.265 -6.129 214 HG23 VAL 31 2HG2 VAL 31 -25.472 -14.128 -6.782 215 H GLU 32 H GLU 32 -23.324 -11.229 -9.797 216 HA GLU 32 HA GLU 32 -20.439 -11.096 -9.716 217 HB2 GLU 32 2HB GLU 32 -20.776 -9.381 -11.540 218 HB3 GLU 32 1HB GLU 32 -21.401 -10.988 -11.887 219 HG2 GLU 32 2HG GLU 32 -23.344 -9.197 -10.638 220 HG3 GLU 32 1HG GLU 32 -22.767 -8.657 -12.214 221 H THR 33 H THR 33 -20.291 -10.310 -7.507 222 HA THR 33 HA THR 33 -20.699 -7.395 -7.355 223 HB THR 33 HB THR 33 -20.734 -8.003 -4.762 224 HG1 THR 33 1HG THR 33 -21.861 -9.949 -4.456 225 HG21 THR 33 3HG2 THR 33 -23.173 -8.398 -6.476 226 HG22 THR 33 1HG2 THR 33 -22.536 -6.835 -5.963 227 HG23 THR 33 2HG2 THR 33 -23.134 -7.981 -4.763 228 H ARG 34 H ARG 34 -19.300 -6.519 -5.415 229 HA ARG 34 HA ARG 34 -16.586 -7.587 -5.809 230 HB2 ARG 34 2HB ARG 34 -17.076 -5.254 -6.631 231 HB3 ARG 34 1HB ARG 34 -17.327 -4.788 -4.955 232 HG2 ARG 34 2HG ARG 34 -15.155 -4.203 -5.125 233 HG3 ARG 34 1HG ARG 34 -14.914 -5.903 -4.720 234 HD2 ARG 34 2HD ARG 34 -14.351 -6.477 -6.881 235 HD3 ARG 34 1HD ARG 34 -15.212 -5.105 -7.579 236 HE ARG 34 HE ARG 34 -12.947 -4.360 -5.972 237 HH11 ARG 34 1HH1 ARG 34 -14.014 -5.301 -9.159 238 HH12 ARG 34 2HH1 ARG 34 -12.675 -4.555 -9.963 239 HH21 ARG 34 1HH2 ARG 34 -11.184 -3.380 -7.030 240 HH22 ARG 34 2HH2 ARG 34 -11.067 -3.465 -8.756 241 HA PRO 35 HA PRO 35 -16.693 -8.638 -1.478 242 HB2 PRO 35 2HB PRO 35 -14.052 -9.181 -1.157 243 HB3 PRO 35 1HB PRO 35 -15.167 -10.285 -1.970 244 HG2 PRO 35 2HG PRO 35 -13.242 -8.322 -3.158 245 HG3 PRO 35 1HG PRO 35 -13.584 -9.991 -3.649 246 HD2 PRO 35 2HD PRO 35 -14.635 -7.858 -4.936 247 HD3 PRO 35 1HD PRO 35 -15.501 -9.400 -4.785 248 H GLU 36 H GLU 36 -14.798 -8.172 0.369 249 HA GLU 36 HA GLU 36 -14.827 -5.257 0.576 250 HB2 GLU 36 2HB GLU 36 -14.722 -7.513 2.504 251 HB3 GLU 36 1HB GLU 36 -13.903 -6.030 2.974 252 HG2 GLU 36 2HG GLU 36 -16.005 -5.742 3.863 253 HG3 GLU 36 1HG GLU 36 -16.123 -4.879 2.330 254 H LEU 37 H LEU 37 -12.990 -4.024 0.958 255 HA LEU 37 HA LEU 37 -10.505 -5.271 0.074 256 HB2 LEU 37 2HB LEU 37 -11.307 -2.386 0.435 257 HB3 LEU 37 1HB LEU 37 -9.683 -2.887 -0.005 258 HG LEU 37 HG LEU 37 -11.042 -4.153 -1.937 259 HD11 LEU 37 1HD1 LEU 37 -13.220 -3.573 -1.701 260 HD12 LEU 37 2HD1 LEU 37 -12.689 -2.185 -2.650 261 HD13 LEU 37 3HD1 LEU 37 -12.844 -2.048 -0.898 262 HD21 LEU 37 3HD2 LEU 37 -9.267 -2.132 -1.821 263 HD22 LEU 37 1HD2 LEU 37 -10.663 -1.282 -2.485 264 HD23 LEU 37 2HD2 LEU 37 -10.014 -2.695 -3.317 265 H ILE 38 H ILE 38 -9.184 -6.055 1.552 266 HA ILE 38 HA ILE 38 -9.122 -4.828 4.213 267 HB ILE 38 HB ILE 38 -8.008 -6.837 5.009 268 HG12 ILE 38 2HG1 ILE 38 -8.354 -7.989 2.240 269 HG13 ILE 38 1HG1 ILE 38 -6.832 -7.328 2.830 270 HG21 ILE 38 1HG2 ILE 38 -10.609 -6.606 4.452 271 HG22 ILE 38 2HG2 ILE 38 -9.913 -8.039 5.206 272 HG23 ILE 38 3HG2 ILE 38 -10.235 -8.024 3.473 273 HD11 ILE 38 3HD1 ILE 38 -7.735 -9.153 4.771 274 HD12 ILE 38 1HD1 ILE 38 -6.352 -9.306 3.687 275 HD13 ILE 38 2HD1 ILE 38 -7.929 -9.929 3.200 276 H THR 39 H THR 39 -6.679 -5.337 5.153 277 HA THR 39 HA THR 39 -4.659 -4.513 3.206 278 HB THR 39 HB THR 39 -4.070 -2.636 4.973 279 HG1 THR 39 1HG THR 39 -5.579 -2.388 6.385 280 HG21 THR 39 3HG2 THR 39 -5.558 -2.628 2.531 281 HG22 THR 39 1HG2 THR 39 -4.462 -1.409 3.177 282 HG23 THR 39 2HG2 THR 39 -6.168 -1.382 3.619 283 H ARG 40 H ARG 40 -2.588 -4.848 3.851 284 HA ARG 40 HA ARG 40 -1.870 -5.614 6.519 285 HB2 ARG 40 2HB ARG 40 -1.163 -7.800 4.674 286 HB3 ARG 40 1HB ARG 40 -1.680 -7.870 6.351 287 HG2 ARG 40 2HG ARG 40 -3.985 -7.706 5.706 288 HG3 ARG 40 1HG ARG 40 -3.535 -7.433 4.021 289 HD2 ARG 40 2HD ARG 40 -4.194 -9.714 4.230 290 HD3 ARG 40 1HD ARG 40 -2.442 -9.681 4.036 291 HE ARG 40 HE ARG 40 -2.261 -10.658 6.085 292 HH11 ARG 40 1HH1 ARG 40 -5.389 -9.123 5.883 293 HH12 ARG 40 2HH1 ARG 40 -5.922 -9.725 7.416 294 HH21 ARG 40 1HH2 ARG 40 -2.961 -11.450 8.102 295 HH22 ARG 40 2HH2 ARG 40 -4.543 -11.046 8.677 296 H THR 41 H THR 41 -0.141 -4.288 6.551 297 HA THR 41 HA THR 41 1.523 -3.966 4.212 298 HB THR 41 HB THR 41 0.977 -2.077 5.748 299 HG1 THR 41 1HG THR 41 3.664 -2.795 5.287 300 HG21 THR 41 3HG2 THR 41 1.425 -3.624 7.834 301 HG22 THR 41 1HG2 THR 41 1.693 -1.882 7.891 302 HG23 THR 41 2HG2 THR 41 3.056 -2.977 7.657 303 H GLU 42 H GLU 42 3.335 -4.862 3.759 304 HA GLU 42 HA GLU 42 4.421 -6.844 5.618 305 HB2 GLU 42 2HB GLU 42 5.532 -6.609 2.879 306 HB3 GLU 42 1HB GLU 42 5.137 -8.044 3.812 307 HG2 GLU 42 2HG GLU 42 2.676 -7.305 3.379 308 HG3 GLU 42 1HG GLU 42 3.390 -6.382 2.059 309 H GLU 43 H GLU 43 6.544 -6.826 6.239 310 HA GLU 43 HA GLU 43 7.764 -4.295 6.532 311 HB2 GLU 43 2HB GLU 43 7.986 -6.336 8.057 312 HB3 GLU 43 1HB GLU 43 9.169 -6.936 6.902 313 HG2 GLU 43 2HG GLU 43 10.494 -4.878 7.257 314 HG3 GLU 43 1HG GLU 43 9.338 -4.388 8.494 315 H ILE 44 H ILE 44 8.152 -3.394 4.530 316 HA ILE 44 HA ILE 44 9.797 -4.795 2.591 317 HB ILE 44 HB ILE 44 8.760 -1.961 2.475 318 HG12 ILE 44 2HG1 ILE 44 7.295 -3.547 0.700 319 HG13 ILE 44 1HG1 ILE 44 7.386 -4.507 2.172 320 HG21 ILE 44 1HG2 ILE 44 10.663 -2.527 0.983 321 HG22 ILE 44 2HG2 ILE 44 9.192 -2.083 0.119 322 HG23 ILE 44 3HG2 ILE 44 9.661 -3.779 0.247 323 HD11 ILE 44 3HD1 ILE 44 6.295 -1.712 1.893 324 HD12 ILE 44 1HD1 ILE 44 6.516 -2.548 3.426 325 HD13 ILE 44 2HD1 ILE 44 5.387 -3.198 2.237 326 HA PRO 45 HA PRO 45 13.355 -2.725 4.471 327 HB2 PRO 45 2HB PRO 45 15.197 -4.527 3.816 328 HB3 PRO 45 1HB PRO 45 13.982 -4.887 5.050 329 HG2 PRO 45 2HG PRO 45 14.113 -5.772 2.200 330 HG3 PRO 45 1HG PRO 45 13.591 -6.675 3.633 331 HD2 PRO 45 2HD PRO 45 11.907 -5.400 1.802 332 HD3 PRO 45 1HD PRO 45 11.451 -5.940 3.428 333 H PHE 46 H PHE 46 15.249 -1.686 3.683 334 HA PHE 46 HA PHE 46 15.081 -0.952 0.880 335 HB2 PHE 46 2HB PHE 46 16.684 0.794 1.439 336 HB3 PHE 46 1HB PHE 46 15.378 0.787 2.619 337 HD1 PHE 46 1HD PHE 46 18.903 -0.100 2.042 338 HD2 PHE 46 2HD PHE 46 15.789 0.330 4.911 339 HE1 PHE 46 1HE PHE 46 20.555 -0.282 3.857 340 HE2 PHE 46 2HE PHE 46 17.434 0.149 6.730 341 HZ PHE 46 HZ PHE 46 19.821 -0.158 6.204 342 H GLU 47 H GLU 47 17.557 -0.394 0.087 343 HA GLU 47 HA GLU 47 19.350 -2.605 0.588 344 HB2 GLU 47 2HB GLU 47 17.674 -2.424 -1.851 345 HB3 GLU 47 1HB GLU 47 19.366 -2.831 -2.098 346 HG2 GLU 47 2HG GLU 47 18.111 -4.353 0.047 347 HG3 GLU 47 1HG GLU 47 17.358 -4.596 -1.527 348 H VAL 48 H VAL 48 21.086 -1.380 1.021 349 HA VAL 48 HA VAL 48 21.668 1.086 -0.241 350 HB VAL 48 HB VAL 48 22.506 0.522 2.002 351 HG11 VAL 48 1HG1 VAL 48 23.141 -1.897 1.019 352 HG12 VAL 48 2HG1 VAL 48 23.851 -1.224 2.487 353 HG13 VAL 48 3HG1 VAL 48 24.723 -1.121 0.957 354 HG21 VAL 48 3HG2 VAL 48 24.553 1.632 1.812 355 HG22 VAL 48 1HG2 VAL 48 23.648 2.164 0.393 356 HG23 VAL 48 2HG2 VAL 48 24.894 0.926 0.231 357 H ILE 49 H ILE 49 23.126 1.622 -1.831 358 HA ILE 49 HA ILE 49 24.097 -0.624 -3.472 359 HB ILE 49 HB ILE 49 23.543 2.200 -4.387 360 HG12 ILE 49 2HG1 ILE 49 21.648 0.878 -5.643 361 HG13 ILE 49 1HG1 ILE 49 21.840 -0.264 -4.318 362 HG21 ILE 49 1HG2 ILE 49 23.558 0.951 -6.646 363 HG22 ILE 49 2HG2 ILE 49 24.431 -0.304 -5.765 364 HG23 ILE 49 3HG2 ILE 49 25.099 1.326 -5.871 365 HD11 ILE 49 3HD1 ILE 49 21.423 2.646 -3.776 366 HD12 ILE 49 1HD1 ILE 49 21.103 1.258 -2.736 367 HD13 ILE 49 2HD1 ILE 49 20.063 1.577 -4.125 368 H LYS 50 H LYS 50 26.136 -0.355 -4.562 369 HA LYS 50 HA LYS 50 27.992 1.343 -3.037 370 HB2 LYS 50 2HB LYS 50 29.738 -0.269 -3.978 371 HB3 LYS 50 1HB LYS 50 28.649 -0.897 -2.748 372 HG2 LYS 50 2HG LYS 50 27.512 -2.232 -4.240 373 HG3 LYS 50 1HG LYS 50 27.965 -1.242 -5.630 374 HD2 LYS 50 2HD LYS 50 30.086 -2.169 -5.761 375 HD3 LYS 50 1HD LYS 50 30.064 -2.705 -4.080 376 HE2 LYS 50 2HE LYS 50 29.838 -4.520 -5.823 377 HE3 LYS 50 1HE LYS 50 28.597 -4.492 -4.570 378 HZ1 LYS 50 3HZ LYS 50 28.307 -3.360 -7.302 379 HZ2 LYS 50 1HZ LYS 50 27.114 -3.373 -6.103 380 HZ3 LYS 50 2HZ LYS 50 27.654 -4.828 -6.774 381 H LYS 51 H LYS 51 28.123 3.218 -4.153 382 HA LYS 51 HA LYS 51 28.731 3.049 -7.030 383 HB2 LYS 51 2HB LYS 51 26.651 4.271 -6.460 384 HB3 LYS 51 1HB LYS 51 27.595 5.390 -5.488 385 HG2 LYS 51 2HG LYS 51 28.780 6.152 -7.454 386 HG3 LYS 51 1HG LYS 51 27.932 4.968 -8.451 387 HD2 LYS 51 2HD LYS 51 26.467 7.048 -6.849 388 HD3 LYS 51 1HD LYS 51 27.063 7.372 -8.479 389 HE2 LYS 51 2HE LYS 51 25.048 6.592 -9.106 390 HE3 LYS 51 1HE LYS 51 25.797 5.014 -8.867 391 HZ1 LYS 51 3HZ LYS 51 23.963 4.751 -7.587 392 HZ2 LYS 51 1HZ LYS 51 23.815 6.398 -7.230 393 HZ3 LYS 51 2HZ LYS 51 24.960 5.455 -6.418 394 H GLU 52 H GLU 52 30.205 4.728 -7.866 395 HA GLU 52 HA GLU 52 32.274 5.409 -5.879 396 HB2 GLU 52 2HB GLU 52 32.604 4.678 -8.793 397 HB3 GLU 52 1HB GLU 52 33.905 5.240 -7.753 398 HG2 GLU 52 2HG GLU 52 34.067 2.884 -7.875 399 HG3 GLU 52 1HG GLU 52 33.454 3.281 -6.270 400 H ASN 53 H ASN 53 33.116 7.449 -5.878 401 HA ASN 53 HA ASN 53 32.230 9.314 -7.957 402 HB2 ASN 53 2HB ASN 53 30.722 9.407 -5.909 403 HB3 ASN 53 1HB ASN 53 32.113 10.026 -5.026 404 HD21 ASN 53 1HD2 ASN 53 29.387 10.962 -6.434 405 HD22 ASN 53 2HD2 ASN 53 29.820 12.551 -6.960 406 HA PRO 54 HA PRO 54 36.525 10.443 -7.612 407 HB2 PRO 54 2HB PRO 54 36.552 12.472 -9.374 408 HB3 PRO 54 1HB PRO 54 36.379 10.790 -9.891 409 HG2 PRO 54 2HG PRO 54 34.276 12.892 -9.550 410 HG3 PRO 54 1HG PRO 54 34.474 11.710 -10.857 411 HD2 PRO 54 2HD PRO 54 32.719 11.393 -8.784 412 HD3 PRO 54 1HD PRO 54 33.455 10.038 -9.662 413 H ASN 55 H ASN 55 33.878 12.591 -6.944 414 HA ASN 55 HA ASN 55 35.190 14.927 -6.225 415 HB2 ASN 55 2HB ASN 55 32.639 14.324 -6.313 416 HB3 ASN 55 1HB ASN 55 32.863 13.950 -4.607 417 HD21 ASN 55 1HD2 ASN 55 34.091 15.717 -3.392 418 HD22 ASN 55 2HD2 ASN 55 33.580 17.338 -3.706 419 H LEU 56 H LEU 56 34.916 11.901 -4.506 420 HA LEU 56 HA LEU 56 35.904 12.982 -2.021 421 HB2 LEU 56 2HB LEU 56 35.787 10.065 -2.730 422 HB3 LEU 56 1HB LEU 56 35.688 10.806 -1.143 423 HG LEU 56 HG LEU 56 33.555 11.172 -3.239 424 HD11 LEU 56 1HD1 LEU 56 34.047 8.931 -1.362 425 HD12 LEU 56 2HD1 LEU 56 33.290 8.934 -2.953 426 HD13 LEU 56 3HD1 LEU 56 32.387 9.496 -1.547 427 HD21 LEU 56 3HD2 LEU 56 33.149 11.336 -0.292 428 HD22 LEU 56 1HD2 LEU 56 32.296 12.161 -1.596 429 HD23 LEU 56 2HD2 LEU 56 33.912 12.689 -1.129 430 HA PRO 57 HA PRO 57 40.200 12.269 -2.776 431 HB2 PRO 57 2HB PRO 57 40.856 11.676 -0.069 432 HB3 PRO 57 1HB PRO 57 40.909 13.245 -0.869 433 HG2 PRO 57 2HG PRO 57 39.164 12.541 1.176 434 HG3 PRO 57 1HG PRO 57 38.951 13.904 0.066 435 HD2 PRO 57 2HD PRO 57 37.704 11.191 0.004 436 HD3 PRO 57 1HD PRO 57 37.009 12.768 -0.433 437 H ALA 58 H ALA 58 38.688 9.885 -3.269 438 HA ALA 58 HA ALA 58 39.011 7.661 -3.612 439 HB1 ALA 58 1HB ALA 58 41.752 8.670 -3.121 440 HB2 ALA 58 2HB ALA 58 41.086 7.826 -4.518 441 HB3 ALA 58 3HB ALA 58 41.509 6.923 -3.063 442 H GLY 59 H GLY 59 38.563 5.850 -2.476 443 HA2 GLY 59 2HA GLY 59 38.098 4.525 -0.661 444 HA3 GLY 59 1HA GLY 59 39.631 5.090 -0.019 445 H GLN 60 H GLN 60 36.726 6.993 -0.703 446 HA GLN 60 HA GLN 60 36.644 7.710 2.150 447 HB2 GLN 60 2HB GLN 60 36.885 9.378 0.005 448 HB3 GLN 60 1HB GLN 60 35.144 9.389 0.250 449 HG2 GLN 60 2HG GLN 60 36.046 9.722 2.789 450 HG3 GLN 60 1HG GLN 60 37.284 10.564 1.860 451 HE21 GLN 60 1HE2 GLN 60 33.759 10.265 2.080 452 HE22 GLN 60 2HE2 GLN 60 33.426 11.935 1.789 453 H GLU 61 H GLU 61 34.698 7.719 3.259 454 HA GLU 61 HA GLU 61 32.504 6.274 1.926 455 HB2 GLU 61 2HB GLU 61 32.973 6.415 4.901 456 HB3 GLU 61 1HB GLU 61 31.916 5.316 4.025 457 HG2 GLU 61 2HG GLU 61 33.721 4.067 3.194 458 HG3 GLU 61 1HG GLU 61 34.889 5.314 3.633 459 H ASN 62 H ASN 62 30.804 7.493 1.466 460 HA ASN 62 HA ASN 62 30.041 9.620 3.348 461 HB2 ASN 62 2HB ASN 62 31.133 10.621 1.374 462 HB3 ASN 62 1HB ASN 62 29.961 9.821 0.330 463 HD21 ASN 62 1HD2 ASN 62 28.664 11.317 -0.448 464 HD22 ASN 62 2HD2 ASN 62 27.892 12.566 0.462 465 H ILE 63 H ILE 63 28.012 9.466 4.033 466 HA ILE 63 HA ILE 63 26.191 7.655 2.611 467 HB ILE 63 HB ILE 63 25.959 8.753 5.417 468 HG12 ILE 63 2HG1 ILE 63 27.891 7.206 5.060 469 HG13 ILE 63 1HG1 ILE 63 26.691 6.589 6.191 470 HG21 ILE 63 1HG2 ILE 63 24.410 6.538 5.351 471 HG22 ILE 63 2HG2 ILE 63 24.192 7.140 3.709 472 HG23 ILE 63 3HG2 ILE 63 23.810 8.175 5.086 473 HD11 ILE 63 3HD1 ILE 63 27.340 4.783 4.821 474 HD12 ILE 63 1HD1 ILE 63 27.158 5.738 3.350 475 HD13 ILE 63 2HD1 ILE 63 25.734 5.269 4.278 476 H ILE 64 H ILE 64 25.279 8.925 1.044 477 HA ILE 64 HA ILE 64 24.424 11.595 1.425 478 HB ILE 64 HB ILE 64 23.377 9.639 -0.623 479 HG12 ILE 64 2HG1 ILE 64 25.784 11.469 -0.756 480 HG13 ILE 64 1HG1 ILE 64 25.827 9.711 -0.685 481 HG21 ILE 64 1HG2 ILE 64 22.933 11.641 -1.951 482 HG22 ILE 64 2HG2 ILE 64 23.526 12.651 -0.633 483 HG23 ILE 64 3HG2 ILE 64 22.067 11.686 -0.415 484 HD11 ILE 64 3HD1 ILE 64 26.125 10.907 -2.952 485 HD12 ILE 64 1HD1 ILE 64 24.371 11.083 -2.898 486 HD13 ILE 64 2HD1 ILE 64 25.097 9.477 -2.859 487 H THR 65 H THR 65 22.904 8.494 1.934 488 HA THR 65 HA THR 65 20.832 9.674 3.510 489 HB THR 65 HB THR 65 20.017 9.969 1.130 490 HG1 THR 65 1HG THR 65 17.942 9.378 1.688 491 HG21 THR 65 3HG2 THR 65 19.160 7.148 1.076 492 HG22 THR 65 1HG2 THR 65 20.826 7.490 0.608 493 HG23 THR 65 2HG2 THR 65 19.492 8.266 -0.247 494 H ALA 66 H ALA 66 20.639 8.328 5.166 495 HA ALA 66 HA ALA 66 21.631 5.657 5.078 496 HB1 ALA 66 1HB ALA 66 20.309 7.354 7.147 497 HB2 ALA 66 2HB ALA 66 21.904 6.601 7.158 498 HB3 ALA 66 3HB ALA 66 20.463 5.618 7.415 499 H GLY 67 H GLY 67 20.611 3.851 4.513 500 HA2 GLY 67 2HA GLY 67 17.993 3.818 3.500 501 HA3 GLY 67 1HA GLY 67 18.939 2.395 3.909 502 H VAL 68 H VAL 68 16.032 3.331 4.339 503 HA VAL 68 HA VAL 68 15.896 2.382 7.109 504 HB VAL 68 HB VAL 68 14.222 4.688 6.115 505 HG11 VAL 68 1HG1 VAL 68 13.364 3.112 7.936 506 HG12 VAL 68 2HG1 VAL 68 13.362 4.840 8.288 507 HG13 VAL 68 3HG1 VAL 68 14.625 3.806 8.955 508 HG21 VAL 68 3HG2 VAL 68 16.341 5.638 6.279 509 HG22 VAL 68 1HG2 VAL 68 16.789 4.639 7.662 510 HG23 VAL 68 2HG2 VAL 68 15.630 5.955 7.862 511 H LYS 69 H LYS 69 14.558 0.718 7.273 512 HA LYS 69 HA LYS 69 13.128 -0.373 5.163 513 HB2 LYS 69 2HB LYS 69 12.379 -0.757 8.057 514 HB3 LYS 69 1HB LYS 69 12.191 -1.897 6.732 515 HG2 LYS 69 2HG LYS 69 14.923 -1.305 6.839 516 HG3 LYS 69 1HG LYS 69 14.407 -1.519 8.512 517 HD2 LYS 69 2HD LYS 69 13.144 -3.591 7.246 518 HD3 LYS 69 1HD LYS 69 14.662 -3.479 6.351 519 HE2 LYS 69 2HE LYS 69 15.480 -4.760 8.003 520 HE3 LYS 69 1HE LYS 69 15.531 -3.254 8.919 521 HZ1 LYS 69 3HZ LYS 69 13.275 -3.795 9.740 522 HZ2 LYS 69 1HZ LYS 69 14.448 -4.913 10.224 523 HZ3 LYS 69 2HZ LYS 69 13.378 -5.298 8.972 524 H GLY 70 H GLY 70 11.375 0.299 4.141 525 HA2 GLY 70 2HA GLY 70 9.636 2.278 5.377 526 HA3 GLY 70 1HA GLY 70 9.588 1.747 3.701 527 H GLU 71 H GLU 71 7.294 1.487 3.784 528 HA GLU 71 HA GLU 71 6.515 -1.103 4.660 529 HB2 GLU 71 2HB GLU 71 6.191 0.961 6.522 530 HB3 GLU 71 1HB GLU 71 4.601 0.760 5.799 531 HG2 GLU 71 2HG GLU 71 5.086 -1.785 6.245 532 HG3 GLU 71 1HG GLU 71 6.189 -1.127 7.454 533 H ARG 72 H ARG 72 4.654 -1.748 3.643 534 HA ARG 72 HA ARG 72 3.250 0.190 1.997 535 HB2 ARG 72 2HB ARG 72 5.065 -0.887 0.586 536 HB3 ARG 72 1HB ARG 72 4.223 -2.414 0.812 537 HG2 ARG 72 2HG ARG 72 2.354 -1.681 -0.398 538 HG3 ARG 72 1HG ARG 72 2.879 -0.002 -0.331 539 HD2 ARG 72 2HD ARG 72 4.489 -2.128 -1.710 540 HD3 ARG 72 1HD ARG 72 3.215 -1.230 -2.535 541 HE ARG 72 HE ARG 72 5.012 0.552 -1.279 542 HH11 ARG 72 1HH1 ARG 72 4.769 -1.601 -4.013 543 HH12 ARG 72 2HH1 ARG 72 5.904 -0.712 -4.973 544 HH21 ARG 72 1HH2 ARG 72 6.504 1.724 -2.540 545 HH22 ARG 72 2HH2 ARG 72 6.888 1.176 -4.137 546 H THR 73 H THR 73 1.299 0.016 2.711 547 HA THR 73 HA THR 73 0.365 -2.385 3.957 548 HB THR 73 HB THR 73 -1.291 -0.021 3.084 549 HG1 THR 73 1HG THR 73 -0.669 0.988 4.844 550 HG21 THR 73 3HG2 THR 73 -1.932 -1.530 5.511 551 HG22 THR 73 1HG2 THR 73 -2.185 -2.367 3.977 552 HG23 THR 73 2HG2 THR 73 -2.991 -0.825 4.286 553 H HIS 74 H HIS 74 -0.515 -4.073 3.031 554 HA HIS 74 HA HIS 74 -1.210 -3.817 0.220 555 HB2 HIS 74 2HB HIS 74 0.132 -5.883 1.812 556 HB3 HIS 74 1HB HIS 74 -0.928 -6.468 0.510 557 HD1 HIS 74 1HD HIS 74 1.750 -3.928 1.092 558 HD2 HIS 74 2HD HIS 74 0.204 -6.279 -1.950 559 HE1 HIS 74 1HE HIS 74 3.154 -3.405 -0.946 560 HE2 HIS 74 2HE HIS 74 1.970 -4.601 -2.819 561 H TYR 75 H TYR 75 -3.116 -3.766 -0.385 562 HA TYR 75 HA TYR 75 -5.256 -4.608 1.354 563 HB2 TYR 75 2HB TYR 75 -5.861 -3.474 -1.320 564 HB3 TYR 75 1HB TYR 75 -6.580 -3.113 0.242 565 HD1 TYR 75 2HD TYR 75 -3.712 -2.561 1.516 566 HD2 TYR 75 1HD TYR 75 -5.757 -1.098 -1.918 567 HE1 TYR 75 2HE TYR 75 -2.385 -0.502 1.608 568 HE2 TYR 75 1HE TYR 75 -4.457 0.987 -1.795 569 HH TYR 75 HH TYR 75 -2.926 2.042 0.747 570 H ILE 76 H ILE 76 -5.793 -6.644 1.315 571 HA ILE 76 HA ILE 76 -5.653 -8.188 -1.157 572 HB ILE 76 HB ILE 76 -6.110 -9.001 1.716 573 HG12 ILE 76 2HG1 ILE 76 -3.894 -10.159 1.347 574 HG13 ILE 76 1HG1 ILE 76 -3.772 -9.285 -0.177 575 HG21 ILE 76 1HG2 ILE 76 -7.341 -10.545 0.369 576 HG22 ILE 76 2HG2 ILE 76 -5.846 -11.338 0.865 577 HG23 ILE 76 3HG2 ILE 76 -6.004 -10.699 -0.771 578 HD11 ILE 76 3HD1 ILE 76 -4.313 -7.641 2.201 579 HD12 ILE 76 1HD1 ILE 76 -3.240 -7.351 0.831 580 HD13 ILE 76 2HD1 ILE 76 -2.733 -8.421 2.138 581 H SER 77 H SER 77 -7.461 -9.639 -1.703 582 HA SER 77 HA SER 77 -10.038 -8.323 -1.187 583 HB2 SER 77 2HB SER 77 -10.799 -9.521 -3.245 584 HB3 SER 77 1HB SER 77 -9.471 -8.400 -3.538 585 HG SER 77 HG SER 77 -9.563 -10.984 -4.079 586 H VAL 78 H VAL 78 -11.358 -9.281 0.197 587 HA VAL 78 HA VAL 78 -10.903 -12.001 1.044 588 HB VAL 78 HB VAL 78 -11.527 -10.294 2.688 589 HG11 VAL 78 1HG1 VAL 78 -13.317 -8.944 2.541 590 HG12 VAL 78 2HG1 VAL 78 -14.355 -10.216 1.900 591 HG13 VAL 78 3HG1 VAL 78 -13.254 -9.353 0.827 592 HG21 VAL 78 3HG2 VAL 78 -13.446 -11.547 3.744 593 HG22 VAL 78 1HG2 VAL 78 -12.038 -12.521 3.319 594 HG23 VAL 78 2HG2 VAL 78 -13.473 -12.555 2.296 595 H LEU 79 H LEU 79 -11.578 -13.600 -0.229 596 HA LEU 79 HA LEU 79 -14.227 -13.360 -1.495 597 HB2 LEU 79 2HB LEU 79 -12.068 -13.647 -2.902 598 HB3 LEU 79 1HB LEU 79 -12.124 -15.313 -2.360 599 HG LEU 79 HG LEU 79 -14.499 -15.375 -3.308 600 HD11 LEU 79 1HD1 LEU 79 -15.121 -13.188 -3.686 601 HD12 LEU 79 2HD1 LEU 79 -14.623 -13.703 -5.297 602 HD13 LEU 79 3HD1 LEU 79 -13.536 -12.731 -4.306 603 HD21 LEU 79 3HD2 LEU 79 -13.126 -16.641 -4.587 604 HD22 LEU 79 1HD2 LEU 79 -11.928 -15.358 -4.767 605 HD23 LEU 79 2HD2 LEU 79 -13.396 -15.338 -5.744 606 H THR 80 H THR 80 -15.383 -14.140 0.288 607 HA THR 80 HA THR 80 -14.723 -16.704 1.439 608 HB THR 80 HB THR 80 -17.292 -15.190 1.864 609 HG1 THR 80 1HG THR 80 -16.188 -14.083 3.529 610 HG21 THR 80 3HG2 THR 80 -17.518 -16.303 3.832 611 HG22 THR 80 1HG2 THR 80 -15.782 -16.552 4.022 612 HG23 THR 80 2HG2 THR 80 -16.694 -17.539 2.879 613 H GLU 81 H GLU 81 -15.239 -18.565 0.519 614 HA GLU 81 HA GLU 81 -17.750 -18.734 -1.010 615 HB2 GLU 81 2HB GLU 81 -15.581 -18.704 -2.393 616 HB3 GLU 81 1HB GLU 81 -15.290 -20.308 -1.737 617 HG2 GLU 81 2HG GLU 81 -16.864 -21.270 -3.020 618 HG3 GLU 81 1HG GLU 81 -17.951 -19.885 -2.913 619 H ASN 82 H ASN 82 -19.061 -19.921 0.224 620 HA ASN 82 HA ASN 82 -19.896 -21.650 1.442 621 HB2 ASN 82 2HB ASN 82 -17.684 -22.976 -0.088 622 HB3 ASN 82 1HB ASN 82 -18.561 -23.884 1.140 623 HD21 ASN 82 1HD2 ASN 82 -19.234 -25.245 -0.609 624 HD22 ASN 82 2HD2 ASN 82 -20.567 -24.775 -1.604 625 H GLY 83 H GLY 83 -17.978 -19.837 2.653 626 HA2 GLY 83 2HA GLY 83 -17.226 -19.666 4.850 627 HA3 GLY 83 1HA GLY 83 -17.416 -21.404 5.023 628 H LYS 84 H LYS 84 -15.537 -19.574 2.636 629 HA LYS 84 HA LYS 84 -13.056 -20.504 3.865 630 HB2 LYS 84 2HB LYS 84 -14.103 -21.988 1.866 631 HB3 LYS 84 1HB LYS 84 -13.179 -20.825 0.925 632 HG2 LYS 84 2HG LYS 84 -11.769 -22.683 1.275 633 HG3 LYS 84 1HG LYS 84 -11.193 -21.411 2.355 634 HD2 LYS 84 2HD LYS 84 -12.872 -22.597 4.033 635 HD3 LYS 84 1HD LYS 84 -12.545 -23.981 2.988 636 HE2 LYS 84 2HE LYS 84 -10.933 -24.141 4.673 637 HE3 LYS 84 1HE LYS 84 -10.072 -23.411 3.319 638 HZ1 LYS 84 3HZ LYS 84 -9.609 -22.317 5.452 639 HZ2 LYS 84 1HZ LYS 84 -11.242 -21.895 5.590 640 HZ3 LYS 84 2HZ LYS 84 -10.308 -21.258 4.333 641 H THR 85 H THR 85 -12.071 -18.622 4.232 642 HA THR 85 HA THR 85 -12.337 -16.409 2.379 643 HB THR 85 HB THR 85 -10.679 -16.581 4.902 644 HG1 THR 85 1HG THR 85 -13.373 -15.821 4.494 645 HG21 THR 85 3HG2 THR 85 -9.943 -14.606 4.139 646 HG22 THR 85 1HG2 THR 85 -11.497 -14.024 4.736 647 HG23 THR 85 2HG2 THR 85 -11.298 -14.409 3.027 648 H THR 86 H THR 86 -11.024 -16.116 0.714 649 HA THR 86 HA THR 86 -8.421 -17.464 0.700 650 HB THR 86 HB THR 86 -9.422 -16.106 -1.740 651 HG1 THR 86 1HG THR 86 -10.842 -17.850 -2.160 652 HG21 THR 86 3HG2 THR 86 -8.625 -18.084 -2.856 653 HG22 THR 86 1HG2 THR 86 -8.330 -18.875 -1.307 654 HG23 THR 86 2HG2 THR 86 -7.378 -17.466 -1.773 655 H GLU 87 H GLU 87 -6.514 -16.376 0.347 656 HA GLU 87 HA GLU 87 -6.661 -13.456 0.651 657 HB2 GLU 87 2HB GLU 87 -4.245 -15.190 1.148 658 HB3 GLU 87 1HB GLU 87 -4.507 -13.532 1.670 659 HG2 GLU 87 2HG GLU 87 -5.971 -15.966 2.662 660 HG3 GLU 87 1HG GLU 87 -4.731 -15.061 3.529 661 H THR 88 H THR 88 -6.799 -12.756 -1.443 662 HA THR 88 HA THR 88 -4.501 -13.401 -3.173 663 HB THR 88 HB THR 88 -7.353 -12.854 -4.023 664 HG1 THR 88 1HG THR 88 -5.814 -15.216 -4.299 665 HG21 THR 88 3HG2 THR 88 -4.834 -13.115 -5.579 666 HG22 THR 88 1HG2 THR 88 -6.228 -12.067 -5.845 667 HG23 THR 88 2HG2 THR 88 -6.326 -13.783 -6.241 668 H VAL 89 H VAL 89 -3.286 -11.713 -3.710 669 HA VAL 89 HA VAL 89 -3.684 -9.132 -2.767 670 HB VAL 89 HB VAL 89 -1.958 -8.432 -4.429 671 HG11 VAL 89 1HG1 VAL 89 -1.373 -10.938 -2.857 672 HG12 VAL 89 2HG1 VAL 89 -1.286 -9.279 -2.262 673 HG13 VAL 89 3HG1 VAL 89 -0.158 -9.834 -3.500 674 HG21 VAL 89 3HG2 VAL 89 -0.979 -9.990 -5.932 675 HG22 VAL 89 1HG2 VAL 89 -2.722 -10.060 -6.187 676 HG23 VAL 89 2HG2 VAL 89 -1.916 -11.325 -5.260 677 H LEU 90 H LEU 90 -4.422 -7.220 -3.683 678 HA LEU 90 HA LEU 90 -5.845 -7.464 -6.246 679 HB2 LEU 90 2HB LEU 90 -7.019 -7.134 -3.702 680 HB3 LEU 90 1HB LEU 90 -7.159 -5.586 -4.513 681 HG LEU 90 HG LEU 90 -9.145 -6.957 -4.873 682 HD11 LEU 90 1HD1 LEU 90 -7.478 -6.619 -7.361 683 HD12 LEU 90 2HD1 LEU 90 -8.492 -5.387 -6.611 684 HD13 LEU 90 3HD1 LEU 90 -9.228 -6.826 -7.315 685 HD21 LEU 90 3HD2 LEU 90 -7.755 -8.871 -6.629 686 HD22 LEU 90 1HD2 LEU 90 -9.137 -9.106 -5.558 687 HD23 LEU 90 2HD2 LEU 90 -7.502 -9.090 -4.897 688 H ASP 91 H ASP 91 -4.693 -5.120 -3.813 689 HA ASP 91 HA ASP 91 -3.147 -3.652 -5.646 690 HB2 ASP 91 2HB ASP 91 -5.751 -3.138 -6.131 691 HB3 ASP 91 1HB ASP 91 -5.439 -1.935 -4.880 692 H SER 92 H SER 92 -1.788 -2.301 -4.584 693 HA SER 92 HA SER 92 -2.496 -1.341 -1.921 694 HB2 SER 92 2HB SER 92 0.220 -2.485 -2.133 695 HB3 SER 92 1HB SER 92 -0.869 -2.341 -0.746 696 HG SER 92 HG SER 92 -0.898 -4.256 -2.828 697 H GLN 93 H GLN 93 -1.480 0.475 -1.294 698 HA GLN 93 HA GLN 93 0.075 1.874 -3.348 699 HB2 GLN 93 2HB GLN 93 -1.898 2.735 -1.299 700 HB3 GLN 93 1HB GLN 93 -0.551 3.824 -1.590 701 HG2 GLN 93 2HG GLN 93 -1.337 3.249 -4.123 702 HG3 GLN 93 1HG GLN 93 -2.870 3.186 -3.253 703 HE21 GLN 93 1HE2 GLN 93 -0.772 5.156 -4.866 704 HE22 GLN 93 2HE2 GLN 93 -1.288 6.685 -4.252 705 H VAL 94 H VAL 94 1.792 3.398 -2.355 706 HA VAL 94 HA VAL 94 3.351 1.759 -0.546 707 HB VAL 94 HB VAL 94 4.462 2.814 -2.463 708 HG11 VAL 94 1HG1 VAL 94 4.481 5.510 -1.312 709 HG12 VAL 94 2HG1 VAL 94 2.917 4.990 -1.940 710 HG13 VAL 94 3HG1 VAL 94 4.334 4.990 -2.990 711 HG21 VAL 94 3HG2 VAL 94 5.460 4.024 0.111 712 HG22 VAL 94 1HG2 VAL 94 6.405 3.610 -1.320 713 HG23 VAL 94 2HG2 VAL 94 5.686 2.334 -0.339 714 H THR 95 H THR 95 2.822 1.867 1.509 715 HA THR 95 HA THR 95 2.233 4.493 2.687 716 HB THR 95 HB THR 95 0.929 3.365 4.348 717 HG1 THR 95 1HG THR 95 1.317 1.390 4.897 718 HG21 THR 95 3HG2 THR 95 -0.745 3.231 2.906 719 HG22 THR 95 1HG2 THR 95 -0.254 1.569 2.553 720 HG23 THR 95 2HG2 THR 95 0.359 2.905 1.571 721 H LYS 96 H LYS 96 4.422 4.944 2.848 722 HA LYS 96 HA LYS 96 6.029 5.441 4.489 723 HB2 LYS 96 2HB LYS 96 4.822 3.626 5.984 724 HB3 LYS 96 1HB LYS 96 6.136 2.602 5.419 725 HG2 LYS 96 2HG LYS 96 7.066 5.189 6.352 726 HG3 LYS 96 1HG LYS 96 6.189 4.293 7.592 727 HD2 LYS 96 2HD LYS 96 7.769 2.346 6.528 728 HD3 LYS 96 1HD LYS 96 8.807 3.767 6.376 729 HE2 LYS 96 2HE LYS 96 7.413 2.997 8.932 730 HE3 LYS 96 1HE LYS 96 9.043 2.467 8.521 731 HZ1 LYS 96 3HZ LYS 96 9.698 4.807 8.364 732 HZ2 LYS 96 1HZ LYS 96 9.123 4.420 9.909 733 HZ3 LYS 96 2HZ LYS 96 8.142 5.280 8.832 734 H GLU 97 H GLU 97 6.274 4.934 1.857 735 HA GLU 97 HA GLU 97 7.689 3.039 0.688 736 HB2 GLU 97 2HB GLU 97 7.175 5.190 -0.372 737 HB3 GLU 97 1HB GLU 97 8.458 5.957 0.553 738 HG2 GLU 97 2HG GLU 97 9.085 5.457 -1.778 739 HG3 GLU 97 1HG GLU 97 10.130 4.681 -0.588 740 H VAL 98 H VAL 98 9.581 2.010 0.770 741 HA VAL 98 HA VAL 98 11.286 2.362 3.028 742 HB VAL 98 HB VAL 98 10.893 0.148 2.046 743 HG11 VAL 98 1HG1 VAL 98 12.740 0.325 -0.159 744 HG12 VAL 98 2HG1 VAL 98 11.387 1.436 -0.381 745 HG13 VAL 98 3HG1 VAL 98 11.084 -0.282 -0.125 746 HG21 VAL 98 3HG2 VAL 98 13.760 0.342 1.543 747 HG22 VAL 98 1HG2 VAL 98 12.882 -0.570 2.768 748 HG23 VAL 98 2HG2 VAL 98 13.251 1.133 3.034 749 H ILE 99 H ILE 99 12.837 3.797 3.234 750 HA ILE 99 HA ILE 99 13.788 5.338 1.014 751 HB ILE 99 HB ILE 99 14.780 5.278 3.867 752 HG12 ILE 99 2HG1 ILE 99 13.464 7.573 3.751 753 HG13 ILE 99 1HG1 ILE 99 12.578 6.744 2.475 754 HG21 ILE 99 1HG2 ILE 99 16.460 6.207 2.414 755 HG22 ILE 99 2HG2 ILE 99 15.705 7.513 3.327 756 HG23 ILE 99 3HG2 ILE 99 15.267 7.250 1.639 757 HD11 ILE 99 3HD1 ILE 99 12.145 6.604 5.228 758 HD12 ILE 99 1HD1 ILE 99 12.824 5.044 4.768 759 HD13 ILE 99 2HD1 ILE 99 11.374 5.644 3.966 760 H ASN 100 H ASN 100 15.143 4.463 -0.408 761 HA ASN 100 HA ASN 100 16.928 2.334 0.216 762 HB2 ASN 100 2HB ASN 100 16.305 3.980 -2.180 763 HB3 ASN 100 1HB ASN 100 17.872 3.176 -2.147 764 HD21 ASN 100 1HD2 ASN 100 17.975 0.956 -2.250 765 HD22 ASN 100 2HD2 ASN 100 16.615 -0.025 -2.665 766 H GLN 101 H GLN 101 18.988 2.379 0.874 767 HA GLN 101 HA GLN 101 20.150 4.804 1.776 768 HB2 GLN 101 2HB GLN 101 20.545 2.570 2.811 769 HB3 GLN 101 1HB GLN 101 21.492 2.124 1.401 770 HG2 GLN 101 2HG GLN 101 23.239 3.490 1.966 771 HG3 GLN 101 1HG GLN 101 22.222 4.585 2.901 772 HE21 GLN 101 1HE2 GLN 101 24.632 3.657 3.863 773 HE22 GLN 101 2HE2 GLN 101 24.345 2.603 5.202 774 H VAL 102 H VAL 102 21.980 5.901 1.035 775 HA VAL 102 HA VAL 102 22.884 5.241 -1.684 776 HB VAL 102 HB VAL 102 22.202 8.028 -0.729 777 HG11 VAL 102 1HG1 VAL 102 22.800 8.810 -2.873 778 HG12 VAL 102 2HG1 VAL 102 22.932 7.173 -3.519 779 HG13 VAL 102 3HG1 VAL 102 24.124 7.763 -2.360 780 HG21 VAL 102 3HG2 VAL 102 20.817 6.525 -2.925 781 HG22 VAL 102 1HG2 VAL 102 20.284 7.970 -2.064 782 HG23 VAL 102 2HG2 VAL 102 20.287 6.406 -1.248 783 H VAL 103 H VAL 103 24.908 4.571 -1.190 784 HA VAL 103 HA VAL 103 26.626 6.462 0.284 785 HB VAL 103 HB VAL 103 27.045 3.477 0.135 786 HG11 VAL 103 1HG1 VAL 103 28.444 4.137 2.236 787 HG12 VAL 103 2HG1 VAL 103 28.421 5.744 1.509 788 HG13 VAL 103 3HG1 VAL 103 29.108 4.386 0.621 789 HG21 VAL 103 3HG2 VAL 103 25.155 3.527 1.433 790 HG22 VAL 103 1HG2 VAL 103 25.493 5.142 2.059 791 HG23 VAL 103 2HG2 VAL 103 26.396 3.753 2.665 792 H GLU 104 H GLU 104 28.446 7.138 -0.693 793 HA GLU 104 HA GLU 104 29.096 5.951 -3.309 794 HB2 GLU 104 2HB GLU 104 29.857 8.715 -2.371 795 HB3 GLU 104 1HB GLU 104 29.913 8.080 -4.011 796 HG2 GLU 104 2HG GLU 104 27.279 7.771 -3.381 797 HG3 GLU 104 1HG GLU 104 27.692 9.252 -2.519 798 H VAL 105 H VAL 105 31.331 5.797 -3.908 799 HA VAL 105 HA VAL 105 33.167 5.694 -1.603 800 HB VAL 105 HB VAL 105 33.231 3.798 -3.951 801 HG11 VAL 105 1HG1 VAL 105 35.363 4.261 -2.721 802 HG12 VAL 105 2HG1 VAL 105 34.847 2.574 -2.695 803 HG13 VAL 105 3HG1 VAL 105 34.602 3.593 -1.276 804 HG21 VAL 105 3HG2 VAL 105 32.506 2.151 -2.067 805 HG22 VAL 105 1HG2 VAL 105 31.290 3.121 -2.896 806 HG23 VAL 105 2HG2 VAL 105 31.865 3.603 -1.301 807 H GLY 106 H GLY 106 35.191 6.512 -1.880 808 HA2 GLY 106 2HA GLY 106 35.654 8.401 -3.894 809 HA3 GLY 106 1HA GLY 106 36.880 7.747 -2.821 810 H ALA 107 H ALA 107 35.286 7.400 -5.916 811 HA ALA 107 HA ALA 107 35.921 6.416 -7.866 812 HB1 ALA 107 1HB ALA 107 38.711 6.110 -6.840 813 HB2 ALA 107 2HB ALA 107 38.056 7.717 -7.160 814 HB3 ALA 107 3HB ALA 107 38.151 6.528 -8.459 815 HA PRO 108 HA PRO 108 35.770 2.056 -7.232 816 HB2 PRO 108 2HB PRO 108 36.687 1.110 -9.600 817 HB3 PRO 108 1HB PRO 108 35.106 1.878 -9.428 818 HG2 PRO 108 2HG PRO 108 37.676 3.039 -10.430 819 HG3 PRO 108 1HG PRO 108 36.037 3.223 -11.081 820 HD2 PRO 108 2HD PRO 108 37.223 5.114 -9.542 821 HD3 PRO 108 1HD PRO 108 35.469 4.836 -9.537 822 H VAL 109 H VAL 109 37.305 0.022 -8.040 823 HA VAL 109 HA VAL 109 40.010 0.649 -7.048 824 HB VAL 109 HB VAL 109 40.001 -1.706 -6.102 825 HG11 VAL 109 1HG1 VAL 109 37.998 0.140 -4.821 826 HG12 VAL 109 2HG1 VAL 109 39.738 0.429 -4.794 827 HG13 VAL 109 3HG1 VAL 109 39.071 -1.015 -4.032 828 HG21 VAL 109 3HG2 VAL 109 38.142 -2.987 -6.053 829 HG22 VAL 109 1HG2 VAL 109 37.697 -2.027 -7.464 830 HG23 VAL 109 2HG2 VAL 109 37.063 -1.605 -5.873 831 H THR 110 H THR 110 39.070 0.470 -9.799 832 HA THR 110 HA THR 110 40.351 -2.002 -10.726 833 HB THR 110 HB THR 110 39.412 -0.945 -12.997 834 HG1 THR 110 1HG THR 110 37.586 -0.007 -11.045 835 HG21 THR 110 3HG2 THR 110 37.544 -2.343 -12.880 836 HG22 THR 110 1HG2 THR 110 37.451 -2.217 -11.123 837 HG23 THR 110 2HG2 THR 110 38.763 -3.126 -11.875 838 H HIS 111 H HIS 111 40.482 1.512 -11.055 839 HA HIS 111 HA HIS 111 42.988 1.263 -12.565 840 HB2 HIS 111 2HB HIS 111 40.865 3.338 -12.388 841 HB3 HIS 111 1HB HIS 111 42.514 3.900 -12.648 842 HD1 HIS 111 1HD HIS 111 40.651 4.451 -14.883 843 HD2 HIS 111 2HD HIS 111 42.688 0.844 -14.571 844 HE1 HIS 111 1HE HIS 111 40.700 3.503 -17.212 845 HE2 HIS 111 2HE HIS 111 42.016 1.363 -17.013
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