NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7613 | 1krx | 5303 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 17.754 -14.814 -2.857 2 2H MET 1 2H MET 1 17.141 -14.442 -1.298 3 3H MET 1 3H MET 1 16.708 -13.473 -2.646 4 HA MET 1 HA MET 1 15.945 -15.847 -3.498 5 1HB MET 1 1HB MET 1 15.568 -15.772 -0.497 6 2HB MET 1 2HB MET 1 14.755 -16.900 -1.572 7 1HG MET 1 1HG MET 1 16.476 -18.278 -1.485 8 2HG MET 1 2HG MET 1 17.552 -17.017 -2.082 9 1HE MET 1 1HE MET 1 16.458 -17.197 2.353 10 2HE MET 1 2HE MET 1 16.194 -18.693 1.456 11 3HE MET 1 3HE MET 1 15.364 -17.214 0.969 12 H GLN 2 H GLN 2 13.571 -16.043 -3.580 13 HA GLN 2 HA GLN 2 11.500 -15.177 -3.903 14 1HB GLN 2 1HB GLN 2 12.255 -14.354 -1.311 15 2HB GLN 2 2HB GLN 2 11.524 -12.950 -2.077 16 1HG GLN 2 1HG GLN 2 9.656 -14.615 -2.749 17 2HG GLN 2 2HG GLN 2 10.319 -15.602 -1.447 18 1HE2 GLN 2 1HE2 GLN 2 9.694 -12.131 -1.900 19 2HE2 GLN 2 2HE2 GLN 2 8.800 -11.930 -0.434 20 H ARG 3 H ARG 3 10.394 -13.489 -4.956 21 HA ARG 3 HA ARG 3 12.056 -11.841 -6.576 22 1HB ARG 3 1HB ARG 3 9.954 -12.937 -7.358 23 2HB ARG 3 2HB ARG 3 9.052 -11.817 -6.349 24 1HG ARG 3 1HG ARG 3 8.946 -10.538 -8.160 25 2HG ARG 3 2HG ARG 3 10.631 -10.135 -7.823 26 1HD ARG 3 1HD ARG 3 11.205 -12.207 -9.211 27 2HD ARG 3 2HD ARG 3 9.528 -12.157 -9.753 28 HE ARG 3 HE ARG 3 10.677 -9.622 -10.107 29 1HH1 ARG 3 1HH1 ARG 3 10.886 -12.855 -11.408 30 2HH1 ARG 3 2HH1 ARG 3 11.393 -12.323 -12.977 31 1HH2 ARG 3 1HH2 ARG 3 11.341 -8.926 -12.167 32 2HH2 ARG 3 2HH2 ARG 3 11.653 -10.095 -13.407 33 H GLY 4 H GLY 4 9.197 -10.826 -4.796 34 1HA GLY 4 1HA GLY 4 9.080 -9.178 -3.101 35 2HA GLY 4 2HA GLY 4 10.709 -8.670 -3.521 36 H ILE 5 H ILE 5 7.323 -8.366 -4.240 37 HA ILE 5 HA ILE 5 7.941 -6.135 -6.069 38 HB ILE 5 HB ILE 5 5.304 -7.574 -6.004 39 1HG1 ILE 5 1HG1 ILE 5 6.741 -9.357 -6.543 40 2HG1 ILE 5 2HG1 ILE 5 6.210 -8.748 -8.106 41 1HG2 ILE 5 1HG2 ILE 5 6.392 -6.374 -8.466 42 2HG2 ILE 5 2HG2 ILE 5 5.975 -5.253 -7.169 43 3HG2 ILE 5 3HG2 ILE 5 4.754 -6.350 -7.812 44 1HD1 ILE 5 1HD1 ILE 5 8.501 -7.306 -7.570 45 2HD1 ILE 5 2HD1 ILE 5 8.351 -8.681 -8.662 46 3HD1 ILE 5 3HD1 ILE 5 8.865 -8.930 -6.991 47 H VAL 6 H VAL 6 7.690 -4.251 -5.062 48 HA VAL 6 HA VAL 6 5.538 -3.977 -3.068 49 HB VAL 6 HB VAL 6 7.712 -3.426 -2.140 50 1HG1 VAL 6 1HG1 VAL 6 9.342 -2.483 -3.307 51 2HG1 VAL 6 2HG1 VAL 6 8.341 -1.084 -3.676 52 3HG1 VAL 6 3HG1 VAL 6 8.277 -2.503 -4.710 53 1HG2 VAL 6 1HG2 VAL 6 6.521 -0.737 -2.636 54 2HG2 VAL 6 2HG2 VAL 6 7.135 -1.438 -1.137 55 3HG2 VAL 6 3HG2 VAL 6 5.579 -1.959 -1.784 56 H TRP 7 H TRP 7 3.744 -2.978 -3.792 57 HA TRP 7 HA TRP 7 4.056 -1.052 -5.992 58 1HB TRP 7 1HB TRP 7 1.816 -2.903 -5.244 59 2HB TRP 7 2HB TRP 7 1.506 -1.477 -6.235 60 HD1 TRP 7 HD1 TRP 7 4.868 -2.693 -7.030 61 HE1 TRP 7 HE1 TRP 7 4.870 -4.060 -9.203 62 HE3 TRP 7 HE3 TRP 7 -0.173 -3.410 -7.532 63 HZ2 TRP 7 HZ2 TRP 7 2.986 -5.305 -10.897 64 HZ3 TRP 7 HZ3 TRP 7 -0.990 -4.706 -9.461 65 HH2 TRP 7 HH2 TRP 7 0.564 -5.642 -11.106 66 H VAL 8 H VAL 8 3.324 1.008 -5.829 67 HA VAL 8 HA VAL 8 2.167 1.804 -3.230 68 HB VAL 8 HB VAL 8 3.821 3.733 -4.783 69 1HG1 VAL 8 1HG1 VAL 8 4.289 3.624 -1.952 70 2HG1 VAL 8 2HG1 VAL 8 2.559 3.688 -2.291 71 3HG1 VAL 8 3HG1 VAL 8 3.629 4.931 -2.934 72 1HG2 VAL 8 1HG2 VAL 8 5.696 2.700 -3.107 73 2HG2 VAL 8 2HG2 VAL 8 5.572 2.333 -4.828 74 3HG2 VAL 8 3HG2 VAL 8 4.861 1.241 -3.636 75 H VAL 9 H VAL 9 0.577 3.324 -3.198 76 HA VAL 9 HA VAL 9 -0.229 4.498 -5.766 77 HB VAL 9 HB VAL 9 -2.550 4.142 -4.077 78 1HG1 VAL 9 1HG1 VAL 9 -3.386 3.016 -6.167 79 2HG1 VAL 9 2HG1 VAL 9 -1.765 3.188 -6.817 80 3HG1 VAL 9 3HG1 VAL 9 -2.701 4.624 -6.426 81 1HG2 VAL 9 1HG2 VAL 9 -2.697 1.632 -4.483 82 2HG2 VAL 9 2HG2 VAL 9 -1.660 2.156 -3.172 83 3HG2 VAL 9 3HG2 VAL 9 -0.949 1.674 -4.705 84 H ASP 10 H ASP 10 0.022 6.605 -5.632 85 HA ASP 10 HA ASP 10 -1.193 8.245 -3.667 86 1HB ASP 10 1HB ASP 10 0.941 7.229 -2.516 87 2HB ASP 10 2HB ASP 10 1.791 8.429 -3.486 88 H ASP 11 H ASP 11 0.817 10.366 -3.902 89 HA ASP 11 HA ASP 11 -0.138 11.585 -6.247 90 1HB ASP 11 1HB ASP 11 0.620 12.801 -4.211 91 2HB ASP 11 2HB ASP 11 2.279 12.376 -4.620 92 H ASP 12 H ASP 12 2.123 9.165 -6.041 93 HA ASP 12 HA ASP 12 3.672 8.323 -7.471 94 1HB ASP 12 1HB ASP 12 1.587 9.163 -8.979 95 2HB ASP 12 2HB ASP 12 2.886 10.106 -9.700 96 H SER 13 H SER 13 4.790 9.890 -9.781 97 HA SER 13 HA SER 13 6.856 10.820 -10.069 98 1HB SER 13 1HB SER 13 4.983 12.524 -10.287 99 2HB SER 13 2HB SER 13 5.548 13.175 -8.752 100 HG SER 13 HG SER 13 6.451 13.919 -10.974 101 H SER 14 H SER 14 6.270 12.818 -7.260 102 HA SER 14 HA SER 14 8.857 12.624 -6.280 103 1HB SER 14 1HB SER 14 6.316 13.247 -4.759 104 2HB SER 14 2HB SER 14 7.949 13.561 -4.172 105 HG SER 14 HG SER 14 8.161 14.835 -6.197 106 H ILE 15 H ILE 15 5.950 10.983 -5.041 107 HA ILE 15 HA ILE 15 7.304 9.396 -3.159 108 HB ILE 15 HB ILE 15 4.740 8.620 -4.525 109 1HG1 ILE 15 1HG1 ILE 15 4.607 10.969 -3.748 110 2HG1 ILE 15 2HG1 ILE 15 3.539 9.905 -2.840 111 1HG2 ILE 15 1HG2 ILE 15 5.371 8.155 -1.649 112 2HG2 ILE 15 2HG2 ILE 15 6.093 7.114 -2.875 113 3HG2 ILE 15 3HG2 ILE 15 4.338 7.233 -2.741 114 1HD1 ILE 15 1HD1 ILE 15 5.615 11.615 -1.896 115 2HD1 ILE 15 2HD1 ILE 15 5.976 9.945 -1.458 116 3HD1 ILE 15 3HD1 ILE 15 4.440 10.670 -0.981 117 H ARG 16 H ARG 16 6.555 8.935 -6.524 118 HA ARG 16 HA ARG 16 7.200 6.179 -6.684 119 1HB ARG 16 1HB ARG 16 5.802 7.324 -8.339 120 2HB ARG 16 2HB ARG 16 7.179 8.295 -8.839 121 1HG ARG 16 1HG ARG 16 8.242 5.897 -9.224 122 2HG ARG 16 2HG ARG 16 6.545 5.461 -9.408 123 1HD ARG 16 1HD ARG 16 6.869 7.823 -10.871 124 2HD ARG 16 2HD ARG 16 8.289 6.845 -11.237 125 HE ARG 16 HE ARG 16 6.287 5.078 -11.517 126 1HH1 ARG 16 1HH1 ARG 16 6.776 8.288 -12.795 127 2HH1 ARG 16 2HH1 ARG 16 5.852 7.990 -14.229 128 1HH2 ARG 16 1HH2 ARG 16 5.072 4.689 -13.397 129 2HH2 ARG 16 2HH2 ARG 16 4.884 5.948 -14.571 130 H TRP 17 H TRP 17 9.051 9.068 -7.701 131 HA TRP 17 HA TRP 17 11.321 7.803 -8.613 132 1HB TRP 17 1HB TRP 17 10.862 10.229 -8.819 133 2HB TRP 17 2HB TRP 17 11.260 10.422 -7.114 134 HD1 TRP 17 HD1 TRP 17 12.895 9.686 -10.503 135 HE1 TRP 17 HE1 TRP 17 15.429 10.078 -10.294 136 HE3 TRP 17 HE3 TRP 17 13.192 10.461 -5.449 137 HZ2 TRP 17 HZ2 TRP 17 17.306 10.636 -8.262 138 HZ3 TRP 17 HZ3 TRP 17 15.398 10.916 -4.457 139 HH2 TRP 17 HH2 TRP 17 17.411 10.999 -5.836 140 H VAL 18 H VAL 18 10.638 8.813 -5.275 141 HA VAL 18 HA VAL 18 13.159 8.015 -4.284 142 HB VAL 18 HB VAL 18 10.834 7.943 -2.440 143 1HG1 VAL 18 1HG1 VAL 18 12.353 8.703 -0.866 144 2HG1 VAL 18 2HG1 VAL 18 13.401 9.432 -2.081 145 3HG1 VAL 18 3HG1 VAL 18 13.347 7.680 -1.903 146 1HG2 VAL 18 1HG2 VAL 18 10.040 9.933 -3.030 147 2HG2 VAL 18 2HG2 VAL 18 11.342 10.183 -4.192 148 3HG2 VAL 18 3HG2 VAL 18 11.571 10.628 -2.503 149 H LEU 19 H LEU 19 10.002 6.513 -3.903 150 HA LEU 19 HA LEU 19 10.978 4.155 -2.731 151 1HB LEU 19 1HB LEU 19 8.388 5.071 -3.827 152 2HB LEU 19 2HB LEU 19 8.601 3.355 -3.585 153 HG LEU 19 HG LEU 19 7.511 4.224 -1.659 154 1HD1 LEU 19 1HD1 LEU 19 8.725 2.768 -0.506 155 2HD1 LEU 19 2HD1 LEU 19 9.819 4.086 -0.094 156 3HD1 LEU 19 3HD1 LEU 19 10.149 3.074 -1.498 157 1HD2 LEU 19 1HD2 LEU 19 9.116 6.517 -2.153 158 2HD2 LEU 19 2HD2 LEU 19 9.430 5.966 -0.508 159 3HD2 LEU 19 3HD2 LEU 19 7.781 6.327 -1.018 160 H GLU 20 H GLU 20 10.573 5.012 -6.082 161 HA GLU 20 HA GLU 20 10.525 2.377 -7.096 162 1HB GLU 20 1HB GLU 20 10.828 3.290 -9.253 163 2HB GLU 20 2HB GLU 20 9.802 4.394 -8.365 164 1HG GLU 20 1HG GLU 20 11.711 5.874 -8.024 165 2HG GLU 20 2HG GLU 20 12.728 4.751 -8.920 166 H ARG 21 H ARG 21 13.232 4.691 -7.160 167 HA ARG 21 HA ARG 21 15.075 2.658 -7.934 168 1HB ARG 21 1HB ARG 21 15.625 5.449 -6.932 169 2HB ARG 21 2HB ARG 21 16.793 4.392 -7.713 170 1HG ARG 21 1HG ARG 21 14.488 4.635 -9.381 171 2HG ARG 21 2HG ARG 21 15.040 6.242 -8.906 172 1HD ARG 21 1HD ARG 21 17.182 5.884 -9.820 173 2HD ARG 21 2HD ARG 21 16.915 4.145 -9.963 174 HE ARG 21 HE ARG 21 15.020 5.560 -11.515 175 1HH1 ARG 21 1HH1 ARG 21 18.397 4.682 -11.488 176 2HH1 ARG 21 2HH1 ARG 21 18.546 4.713 -13.213 177 1HH2 ARG 21 1HH2 ARG 21 15.215 5.598 -13.781 178 2HH2 ARG 21 2HH2 ARG 21 16.741 5.233 -14.515 179 H ALA 22 H ALA 22 14.714 4.545 -4.933 180 HA ALA 22 HA ALA 22 16.751 3.361 -3.494 181 1HB ALA 22 1HB ALA 22 15.500 5.345 -2.764 182 2HB ALA 22 2HB ALA 22 15.637 4.125 -1.497 183 3HB ALA 22 3HB ALA 22 14.125 4.306 -2.388 184 H LEU 23 H LEU 23 13.340 2.410 -3.480 185 HA LEU 23 HA LEU 23 13.748 0.156 -1.844 186 1HB LEU 23 1HB LEU 23 11.538 1.349 -2.392 187 2HB LEU 23 2HB LEU 23 11.521 0.374 -3.850 188 HG LEU 23 HG LEU 23 11.195 -1.611 -2.681 189 1HD1 LEU 23 1HD1 LEU 23 12.343 -0.150 -0.342 190 2HD1 LEU 23 2HD1 LEU 23 12.803 -1.707 -1.031 191 3HD1 LEU 23 3HD1 LEU 23 11.320 -1.565 -0.088 192 1HD2 LEU 23 1HD2 LEU 23 9.207 -1.307 -1.524 193 2HD2 LEU 23 2HD2 LEU 23 9.308 0.114 -2.568 194 3HD2 LEU 23 3HD2 LEU 23 9.722 0.249 -0.861 195 H ALA 24 H ALA 24 14.198 0.714 -5.222 196 HA ALA 24 HA ALA 24 14.168 -2.000 -6.053 197 1HB ALA 24 1HB ALA 24 15.374 0.479 -7.261 198 2HB ALA 24 2HB ALA 24 13.907 -0.366 -7.748 199 3HB ALA 24 3HB ALA 24 15.484 -1.107 -8.022 200 H GLY 25 H GLY 25 16.563 0.144 -4.673 201 1HA GLY 25 1HA GLY 25 18.828 -1.507 -5.167 202 2HA GLY 25 2HA GLY 25 18.721 -0.228 -3.964 203 H ALA 26 H ALA 26 16.253 -1.609 -2.867 204 HA ALA 26 HA ALA 26 17.630 -3.197 -0.932 205 1HB ALA 26 1HB ALA 26 15.927 -2.072 0.094 206 2HB ALA 26 2HB ALA 26 15.111 -3.601 -0.235 207 3HB ALA 26 3HB ALA 26 14.850 -2.217 -1.296 208 H GLY 27 H GLY 27 16.166 -3.814 -3.947 209 1HA GLY 27 1HA GLY 27 16.533 -5.952 -4.976 210 2HA GLY 27 2HA GLY 27 16.340 -6.702 -3.403 211 H LEU 28 H LEU 28 14.060 -4.235 -4.330 212 HA LEU 28 HA LEU 28 12.142 -6.333 -5.014 213 1HB LEU 28 1HB LEU 28 11.065 -3.936 -3.683 214 2HB LEU 28 2HB LEU 28 10.574 -5.613 -3.547 215 HG LEU 28 HG LEU 28 12.906 -5.758 -2.248 216 1HD1 LEU 28 1HD1 LEU 28 13.801 -3.751 -2.075 217 2HD1 LEU 28 2HD1 LEU 28 12.621 -3.535 -0.779 218 3HD1 LEU 28 3HD1 LEU 28 12.275 -2.934 -2.404 219 1HD2 LEU 28 1HD2 LEU 28 10.943 -4.664 -0.446 220 2HD2 LEU 28 2HD2 LEU 28 11.555 -6.314 -0.570 221 3HD2 LEU 28 3HD2 LEU 28 10.208 -5.794 -1.584 222 H THR 29 H THR 29 10.098 -5.354 -6.006 223 HA THR 29 HA THR 29 10.927 -3.386 -8.031 224 HB THR 29 HB THR 29 8.750 -5.483 -8.052 225 HG1 THR 29 HG1 THR 29 10.975 -6.109 -8.486 226 1HG2 THR 29 1HG2 THR 29 8.963 -3.081 -9.626 227 2HG2 THR 29 2HG2 THR 29 7.669 -4.276 -9.552 228 3HG2 THR 29 3HG2 THR 29 9.043 -4.529 -10.630 229 H CYS 30 H CYS 30 10.364 -1.394 -7.368 230 HA CYS 30 HA CYS 30 7.757 -1.057 -6.071 231 1HB CYS 30 1HB CYS 30 9.883 -0.268 -4.923 232 2HB CYS 30 2HB CYS 30 9.927 1.006 -6.136 233 HG CYS 30 HG CYS 30 8.013 0.865 -3.768 234 H THR 31 H THR 31 6.187 -0.459 -7.284 235 HA THR 31 HA THR 31 6.665 1.511 -9.416 236 HB THR 31 HB THR 31 6.038 -0.916 -10.122 237 HG1 THR 31 HG1 THR 31 4.188 0.362 -11.449 238 1HG2 THR 31 1HG2 THR 31 3.890 -1.665 -9.925 239 2HG2 THR 31 2HG2 THR 31 3.236 -0.048 -9.678 240 3HG2 THR 31 3HG2 THR 31 4.097 -0.853 -8.372 241 H THR 32 H THR 32 4.807 2.977 -9.771 242 HA THR 32 HA THR 32 3.057 3.110 -7.428 243 HB THR 32 HB THR 32 3.306 5.503 -7.327 244 HG1 THR 32 HG1 THR 32 4.278 5.200 -9.824 245 1HG2 THR 32 1HG2 THR 32 5.327 5.584 -6.315 246 2HG2 THR 32 2HG2 THR 32 6.146 4.730 -7.623 247 3HG2 THR 32 3HG2 THR 32 5.176 3.829 -6.453 248 H PHE 33 H PHE 33 1.094 4.243 -7.676 249 HA PHE 33 HA PHE 33 0.123 4.448 -10.435 250 1HB PHE 33 1HB PHE 33 -1.503 3.314 -8.169 251 2HB PHE 33 2HB PHE 33 -1.956 3.400 -9.853 252 HD1 PHE 33 HD1 PHE 33 -2.019 1.361 -10.876 253 HD2 PHE 33 HD2 PHE 33 0.981 2.070 -7.949 254 HE1 PHE 33 HE1 PHE 33 -1.149 -0.902 -11.235 255 HE2 PHE 33 HE2 PHE 33 1.869 -0.192 -8.307 256 HZ PHE 33 HZ PHE 33 0.788 -1.695 -9.953 257 H GLU 34 H GLU 34 -2.152 5.580 -10.381 258 HA GLU 34 HA GLU 34 -1.734 8.216 -9.661 259 1HB GLU 34 1HB GLU 34 -4.139 8.548 -10.150 260 2HB GLU 34 2HB GLU 34 -3.292 7.624 -11.384 261 1HG GLU 34 1HG GLU 34 -5.055 6.257 -11.213 262 2HG GLU 34 2HG GLU 34 -4.178 5.622 -9.824 263 H ASN 35 H ASN 35 -3.949 5.927 -7.931 264 HA ASN 35 HA ASN 35 -3.365 7.296 -5.492 265 1HB ASN 35 1HB ASN 35 -5.344 8.439 -6.974 266 2HB ASN 35 2HB ASN 35 -6.256 7.378 -5.906 267 1HD2 ASN 35 1HD2 ASN 35 -5.816 7.574 -3.595 268 2HD2 ASN 35 2HD2 ASN 35 -5.418 9.128 -2.954 269 H GLY 36 H GLY 36 -5.402 4.948 -7.120 270 1HA GLY 36 1HA GLY 36 -4.858 2.915 -5.260 271 2HA GLY 36 2HA GLY 36 -6.370 3.670 -4.809 272 H ASN 37 H ASN 37 -7.740 4.072 -7.032 273 HA ASN 37 HA ASN 37 -8.674 1.543 -7.710 274 1HB ASN 37 1HB ASN 37 -9.050 4.240 -8.979 275 2HB ASN 37 2HB ASN 37 -9.768 2.798 -9.690 276 1HD2 ASN 37 1HD2 ASN 37 -11.177 1.511 -8.294 277 2HD2 ASN 37 2HD2 ASN 37 -12.120 2.310 -7.089 278 H GLU 38 H GLU 38 -6.102 3.421 -9.061 279 HA GLU 38 HA GLU 38 -5.918 2.131 -11.554 280 1HB GLU 38 1HB GLU 38 -4.792 4.251 -11.039 281 2HB GLU 38 2HB GLU 38 -3.724 3.417 -9.923 282 1HG GLU 38 1HG GLU 38 -2.323 3.018 -11.588 283 2HG GLU 38 2HG GLU 38 -3.568 2.078 -12.406 284 H VAL 39 H VAL 39 -4.256 1.457 -8.420 285 HA VAL 39 HA VAL 39 -2.753 -0.717 -9.376 286 HB VAL 39 HB VAL 39 -3.901 -0.593 -6.603 287 1HG1 VAL 39 1HG1 VAL 39 -2.467 -2.231 -6.092 288 2HG1 VAL 39 2HG1 VAL 39 -1.150 -1.482 -6.995 289 3HG1 VAL 39 3HG1 VAL 39 -2.335 -2.484 -7.832 290 1HG2 VAL 39 1HG2 VAL 39 -1.254 0.495 -6.793 291 2HG2 VAL 39 2HG2 VAL 39 -2.720 1.206 -6.128 292 3HG2 VAL 39 3HG2 VAL 39 -2.357 1.392 -7.836 293 H LEU 40 H LEU 40 -6.096 -0.531 -8.355 294 HA LEU 40 HA LEU 40 -6.641 -3.237 -7.979 295 1HB LEU 40 1HB LEU 40 -8.538 -1.294 -9.280 296 2HB LEU 40 2HB LEU 40 -8.941 -2.723 -8.346 297 HG LEU 40 HG LEU 40 -7.696 -0.197 -7.274 298 1HD1 LEU 40 1HD1 LEU 40 -10.461 -1.298 -7.341 299 2HD1 LEU 40 2HD1 LEU 40 -9.898 0.349 -7.598 300 3HD1 LEU 40 3HD1 LEU 40 -9.940 -0.319 -5.975 301 1HD2 LEU 40 1HD2 LEU 40 -8.608 -1.668 -5.144 302 2HD2 LEU 40 2HD2 LEU 40 -6.925 -1.528 -5.652 303 3HD2 LEU 40 3HD2 LEU 40 -7.898 -2.897 -6.189 304 H ALA 41 H ALA 41 -6.787 -1.290 -10.961 305 HA ALA 41 HA ALA 41 -7.662 -3.292 -12.683 306 1HB ALA 41 1HB ALA 41 -6.758 -1.961 -14.486 307 2HB ALA 41 2HB ALA 41 -5.729 -1.083 -13.354 308 3HB ALA 41 3HB ALA 41 -7.482 -0.896 -13.280 309 H ALA 42 H ALA 42 -4.395 -2.360 -11.800 310 HA ALA 42 HA ALA 42 -3.100 -4.363 -13.332 311 1HB ALA 42 1HB ALA 42 -1.720 -2.564 -12.826 312 2HB ALA 42 2HB ALA 42 -1.152 -3.813 -11.720 313 3HB ALA 42 3HB ALA 42 -2.212 -2.533 -11.133 314 H LEU 43 H LEU 43 -4.373 -4.200 -10.086 315 HA LEU 43 HA LEU 43 -3.125 -6.519 -9.063 316 1HB LEU 43 1HB LEU 43 -5.461 -4.848 -8.257 317 2HB LEU 43 2HB LEU 43 -5.252 -6.422 -7.516 318 HG LEU 43 HG LEU 43 -3.121 -4.304 -7.477 319 1HD1 LEU 43 1HD1 LEU 43 -4.753 -5.014 -5.095 320 2HD1 LEU 43 2HD1 LEU 43 -5.444 -3.905 -6.280 321 3HD1 LEU 43 3HD1 LEU 43 -3.921 -3.507 -5.486 322 1HD2 LEU 43 1HD2 LEU 43 -2.426 -5.786 -5.517 323 2HD2 LEU 43 2HD2 LEU 43 -2.159 -6.414 -7.143 324 3HD2 LEU 43 3HD2 LEU 43 -3.537 -6.978 -6.195 325 H ALA 44 H ALA 44 -5.915 -5.999 -11.035 326 HA ALA 44 HA ALA 44 -7.288 -8.402 -10.588 327 1HB ALA 44 1HB ALA 44 -8.687 -7.688 -12.197 328 2HB ALA 44 2HB ALA 44 -7.378 -7.364 -13.335 329 3HB ALA 44 3HB ALA 44 -7.761 -6.191 -12.077 330 H SER 45 H SER 45 -4.288 -7.855 -12.108 331 HA SER 45 HA SER 45 -4.363 -10.535 -13.263 332 1HB SER 45 1HB SER 45 -3.200 -8.001 -14.347 333 2HB SER 45 2HB SER 45 -2.502 -9.555 -14.806 334 HG SER 45 HG SER 45 -4.883 -8.405 -15.544 335 H LYS 46 H LYS 46 -3.001 -8.663 -10.864 336 HA LYS 46 HA LYS 46 -0.993 -10.654 -10.373 337 1HB LYS 46 1HB LYS 46 0.581 -9.509 -11.500 338 2HB LYS 46 2HB LYS 46 -0.320 -8.005 -11.456 339 1HG LYS 46 1HG LYS 46 0.810 -7.251 -9.664 340 2HG LYS 46 2HG LYS 46 0.857 -8.821 -8.888 341 1HD LYS 46 1HD LYS 46 2.647 -9.543 -10.275 342 2HD LYS 46 2HD LYS 46 2.546 -8.067 -11.244 343 1HE LYS 46 1HE LYS 46 2.917 -6.956 -8.854 344 2HE LYS 46 2HE LYS 46 3.704 -8.503 -8.545 345 1HZ LYS 46 1HZ LYS 46 5.467 -7.824 -9.671 346 2HZ LYS 46 2HZ LYS 46 4.754 -6.302 -9.868 347 3HZ LYS 46 3HZ LYS 46 4.535 -7.496 -11.046 348 H THR 47 H THR 47 0.200 -10.213 -8.324 349 HA THR 47 HA THR 47 -1.299 -8.552 -6.465 350 HB THR 47 HB THR 47 -0.663 -11.464 -6.000 351 HG1 THR 47 HG1 THR 47 -3.127 -11.218 -5.602 352 1HG2 THR 47 1HG2 THR 47 -2.084 -9.597 -4.120 353 2HG2 THR 47 2HG2 THR 47 -0.393 -10.075 -3.954 354 3HG2 THR 47 3HG2 THR 47 -1.667 -11.290 -3.851 355 HA PRO 48 HA PRO 48 3.037 -7.657 -5.600 356 1HB PRO 48 1HB PRO 48 2.579 -5.509 -4.007 357 2HB PRO 48 2HB PRO 48 2.498 -5.423 -5.771 358 1HG PRO 48 1HG PRO 48 0.276 -5.660 -3.782 359 2HG PRO 48 2HG PRO 48 0.369 -4.661 -5.244 360 1HD PRO 48 1HD PRO 48 -0.980 -7.018 -5.140 361 2HD PRO 48 2HD PRO 48 -0.221 -6.402 -6.620 362 H ASP 49 H ASP 49 4.384 -7.734 -3.710 363 HA ASP 49 HA ASP 49 3.340 -9.484 -1.685 364 1HB ASP 49 1HB ASP 49 6.064 -8.208 -2.018 365 2HB ASP 49 2HB ASP 49 5.662 -9.377 -0.763 366 H VAL 50 H VAL 50 4.086 -6.091 -1.953 367 HA VAL 50 HA VAL 50 2.830 -5.627 0.639 368 HB VAL 50 HB VAL 50 5.174 -5.683 1.231 369 1HG1 VAL 50 1HG1 VAL 50 6.020 -3.380 -0.352 370 2HG1 VAL 50 2HG1 VAL 50 5.646 -4.810 -1.314 371 3HG1 VAL 50 3HG1 VAL 50 6.847 -4.903 -0.028 372 1HG2 VAL 50 1HG2 VAL 50 4.447 -4.082 2.628 373 2HG2 VAL 50 2HG2 VAL 50 3.620 -3.200 1.344 374 3HG2 VAL 50 3HG2 VAL 50 5.350 -2.981 1.589 375 H LEU 51 H LEU 51 1.099 -4.682 -0.357 376 HA LEU 51 HA LEU 51 1.468 -2.616 -2.328 377 1HB LEU 51 1HB LEU 51 -0.398 -4.235 -2.448 378 2HB LEU 51 2HB LEU 51 -1.052 -3.562 -0.968 379 HG LEU 51 HG LEU 51 -1.430 -1.421 -2.081 380 1HD1 LEU 51 1HD1 LEU 51 -1.232 -1.652 -4.706 381 2HD1 LEU 51 2HD1 LEU 51 0.071 -2.752 -4.260 382 3HD1 LEU 51 3HD1 LEU 51 0.107 -1.073 -3.716 383 1HD2 LEU 51 1HD2 LEU 51 -2.638 -3.273 -4.028 384 2HD2 LEU 51 2HD2 LEU 51 -3.395 -2.073 -2.981 385 3HD2 LEU 51 3HD2 LEU 51 -2.929 -3.644 -2.329 386 H LEU 52 H LEU 52 1.123 -0.482 -2.146 387 HA LEU 52 HA LEU 52 0.628 0.614 0.547 388 1HB LEU 52 1HB LEU 52 2.852 0.986 -1.287 389 2HB LEU 52 2HB LEU 52 2.088 2.510 -0.877 390 HG LEU 52 HG LEU 52 2.766 0.646 1.330 391 1HD1 LEU 52 1HD1 LEU 52 4.729 2.137 -0.354 392 2HD1 LEU 52 2HD1 LEU 52 4.847 0.521 0.344 393 3HD1 LEU 52 3HD1 LEU 52 5.013 1.941 1.376 394 1HD2 LEU 52 1HD2 LEU 52 3.258 3.558 1.372 395 2HD2 LEU 52 2HD2 LEU 52 2.618 2.488 2.617 396 3HD2 LEU 52 3HD2 LEU 52 1.579 3.022 1.299 397 H SER 53 H SER 53 -1.236 1.789 0.556 398 HA SER 53 HA SER 53 -2.083 2.989 -1.994 399 1HB SER 53 1HB SER 53 -3.574 1.523 0.095 400 2HB SER 53 2HB SER 53 -4.400 2.894 -0.646 401 HG SER 53 HG SER 53 -3.713 0.453 -1.721 402 H ASP 54 H ASP 54 -3.036 4.968 -2.100 403 HA ASP 54 HA ASP 54 -2.223 6.857 -0.064 404 1HB ASP 54 1HB ASP 54 -2.158 7.197 -2.638 405 2HB ASP 54 2HB ASP 54 -3.876 7.521 -2.489 406 H ILE 55 H ILE 55 -4.078 8.696 0.168 407 HA ILE 55 HA ILE 55 -6.695 7.611 0.459 408 HB ILE 55 HB ILE 55 -5.788 6.644 2.403 409 1HG1 ILE 55 1HG1 ILE 55 -6.909 8.944 3.838 410 2HG1 ILE 55 2HG1 ILE 55 -7.903 8.387 2.496 411 1HG2 ILE 55 1HG2 ILE 55 -4.665 8.050 4.147 412 2HG2 ILE 55 2HG2 ILE 55 -4.578 9.333 2.944 413 3HG2 ILE 55 3HG2 ILE 55 -3.750 7.800 2.662 414 1HD1 ILE 55 1HD1 ILE 55 -7.380 7.156 5.088 415 2HD1 ILE 55 2HD1 ILE 55 -7.278 6.043 3.723 416 3HD1 ILE 55 3HD1 ILE 55 -8.749 6.975 3.995 417 H ARG 56 H ARG 56 -6.856 9.443 -1.018 418 HA ARG 56 HA ARG 56 -8.117 11.624 0.139 419 1HB ARG 56 1HB ARG 56 -5.623 12.050 0.755 420 2HB ARG 56 2HB ARG 56 -5.457 12.515 -0.930 421 1HG ARG 56 1HG ARG 56 -7.732 13.844 0.122 422 2HG ARG 56 2HG ARG 56 -6.393 14.060 1.252 423 1HD ARG 56 1HD ARG 56 -5.864 15.770 -0.118 424 2HD ARG 56 2HD ARG 56 -5.120 14.494 -1.079 425 HE ARG 56 HE ARG 56 -6.763 14.755 -2.661 426 1HH1 ARG 56 1HH1 ARG 56 -7.655 16.505 0.228 427 2HH1 ARG 56 2HH1 ARG 56 -8.992 17.307 -0.524 428 1HH2 ARG 56 1HH2 ARG 56 -8.521 15.808 -3.645 429 2HH2 ARG 56 2HH2 ARG 56 -9.485 16.911 -2.721 430 H MET 57 H MET 57 -9.039 10.227 -1.821 431 HA MET 57 HA MET 57 -9.197 12.049 -4.019 432 1HB MET 57 1HB MET 57 -7.108 10.314 -4.249 433 2HB MET 57 2HB MET 57 -8.381 9.423 -5.064 434 1HG MET 57 1HG MET 57 -8.666 11.917 -6.127 435 2HG MET 57 2HG MET 57 -6.921 11.795 -5.908 436 1HE MET 57 1HE MET 57 -7.161 11.506 -9.426 437 2HE MET 57 2HE MET 57 -8.202 12.404 -8.321 438 3HE MET 57 3HE MET 57 -8.887 11.153 -9.359 439 HA PRO 58 HA PRO 58 -12.110 8.278 -5.018 440 1HB PRO 58 1HB PRO 58 -12.174 6.330 -3.074 441 2HB PRO 58 2HB PRO 58 -11.213 6.237 -4.555 442 1HG PRO 58 1HG PRO 58 -10.378 7.084 -1.804 443 2HG PRO 58 2HG PRO 58 -9.536 6.040 -2.958 444 1HD PRO 58 1HD PRO 58 -8.802 8.574 -2.650 445 2HD PRO 58 2HD PRO 58 -8.826 7.824 -4.259 446 H GLY 59 H GLY 59 -13.938 7.036 -3.492 447 1HA GLY 59 1HA GLY 59 -15.503 9.141 -2.479 448 2HA GLY 59 2HA GLY 59 -15.839 7.429 -2.279 449 H MET 60 H MET 60 -14.265 6.354 -0.618 450 HA MET 60 HA MET 60 -14.582 7.868 1.831 451 1HB MET 60 1HB MET 60 -14.599 5.117 1.150 452 2HB MET 60 2HB MET 60 -13.262 5.355 2.268 453 1HG MET 60 1HG MET 60 -14.618 5.838 4.004 454 2HG MET 60 2HG MET 60 -15.813 6.644 2.989 455 1HE MET 60 1HE MET 60 -17.837 6.039 3.176 456 2HE MET 60 2HE MET 60 -18.569 4.452 3.409 457 3HE MET 60 3HE MET 60 -18.070 4.964 1.797 458 H ASP 61 H ASP 61 -12.840 9.245 0.474 459 HA ASP 61 HA ASP 61 -10.784 10.179 0.439 460 1HB ASP 61 1HB ASP 61 -11.269 9.284 3.139 461 2HB ASP 61 2HB ASP 61 -9.547 9.257 2.776 462 H GLY 62 H GLY 62 -10.080 7.070 2.055 463 1HA GLY 62 1HA GLY 62 -8.537 6.209 -0.262 464 2HA GLY 62 2HA GLY 62 -7.625 6.480 1.213 465 H LEU 63 H LEU 63 -9.675 5.578 2.993 466 HA LEU 63 HA LEU 63 -9.009 2.898 3.201 467 1HB LEU 63 1HB LEU 63 -11.647 3.913 4.202 468 2HB LEU 63 2HB LEU 63 -10.598 2.702 4.913 469 HG LEU 63 HG LEU 63 -8.976 4.826 5.099 470 1HD1 LEU 63 1HD1 LEU 63 -10.899 6.198 4.063 471 2HD1 LEU 63 2HD1 LEU 63 -10.038 6.842 5.459 472 3HD1 LEU 63 3HD1 LEU 63 -11.619 6.091 5.667 473 1HD2 LEU 63 1HD2 LEU 63 -10.399 5.134 7.379 474 2HD2 LEU 63 2HD2 LEU 63 -9.206 3.869 7.104 475 3HD2 LEU 63 3HD2 LEU 63 -10.922 3.531 6.863 476 H ALA 64 H ALA 64 -11.438 4.493 1.302 477 HA ALA 64 HA ALA 64 -13.081 2.285 0.713 478 1HB ALA 64 1HB ALA 64 -12.867 3.998 -1.569 479 2HB ALA 64 2HB ALA 64 -12.894 4.982 -0.106 480 3HB ALA 64 3HB ALA 64 -14.199 3.838 -0.424 481 H LEU 65 H LEU 65 -10.018 3.411 -0.536 482 HA LEU 65 HA LEU 65 -9.834 1.809 -2.828 483 1HB LEU 65 1HB LEU 65 -7.606 2.728 -1.010 484 2HB LEU 65 2HB LEU 65 -7.409 2.116 -2.642 485 HG LEU 65 HG LEU 65 -8.950 4.608 -1.952 486 1HD1 LEU 65 1HD1 LEU 65 -6.256 4.554 -3.256 487 2HD1 LEU 65 2HD1 LEU 65 -6.420 4.609 -1.504 488 3HD1 LEU 65 3HD1 LEU 65 -7.096 5.902 -2.494 489 1HD2 LEU 65 1HD2 LEU 65 -9.756 3.749 -3.990 490 2HD2 LEU 65 2HD2 LEU 65 -8.143 3.297 -4.534 491 3HD2 LEU 65 3HD2 LEU 65 -8.595 4.999 -4.437 492 H LEU 66 H LEU 66 -9.194 1.203 0.547 493 HA LEU 66 HA LEU 66 -7.895 -1.278 0.297 494 1HB LEU 66 1HB LEU 66 -8.714 0.386 2.376 495 2HB LEU 66 2HB LEU 66 -9.636 -1.087 2.620 496 HG LEU 66 HG LEU 66 -7.603 -1.180 3.904 497 1HD1 LEU 66 1HD1 LEU 66 -7.628 -2.989 1.499 498 2HD1 LEU 66 2HD1 LEU 66 -8.327 -3.292 3.088 499 3HD1 LEU 66 3HD1 LEU 66 -6.576 -3.235 2.894 500 1HD2 LEU 66 1HD2 LEU 66 -5.502 -1.434 2.211 501 2HD2 LEU 66 2HD2 LEU 66 -5.905 0.031 3.101 502 3HD2 LEU 66 3HD2 LEU 66 -6.429 -0.158 1.427 503 H LYS 67 H LYS 67 -11.292 -0.442 0.854 504 HA LYS 67 HA LYS 67 -12.452 -2.912 0.962 505 1HB LYS 67 1HB LYS 67 -13.513 -0.562 1.101 506 2HB LYS 67 2HB LYS 67 -13.719 -0.711 -0.639 507 1HG LYS 67 1HG LYS 67 -15.380 -2.224 -0.450 508 2HG LYS 67 2HG LYS 67 -14.668 -2.990 0.971 509 1HD LYS 67 1HD LYS 67 -15.396 -1.075 2.340 510 2HD LYS 67 2HD LYS 67 -16.151 -0.362 0.913 511 1HE LYS 67 1HE LYS 67 -17.966 -1.414 1.797 512 2HE LYS 67 2HE LYS 67 -17.332 -2.729 0.810 513 1HZ LYS 67 1HZ LYS 67 -16.902 -3.943 2.609 514 2HZ LYS 67 2HZ LYS 67 -17.861 -2.851 3.474 515 3HZ LYS 67 3HZ LYS 67 -16.182 -2.654 3.436 516 H GLN 68 H GLN 68 -11.602 -1.099 -1.998 517 HA GLN 68 HA GLN 68 -12.661 -2.942 -3.836 518 1HB GLN 68 1HB GLN 68 -10.267 -1.111 -4.129 519 2HB GLN 68 2HB GLN 68 -11.045 -1.962 -5.451 520 1HG GLN 68 1HG GLN 68 -12.505 -0.324 -5.711 521 2HG GLN 68 2HG GLN 68 -13.004 -0.445 -4.021 522 1HE2 GLN 68 1HE2 GLN 68 -13.082 1.580 -3.331 523 2HE2 GLN 68 2HE2 GLN 68 -11.811 2.740 -3.469 524 H ILE 69 H ILE 69 -9.481 -2.679 -2.331 525 HA ILE 69 HA ILE 69 -8.248 -4.781 -3.723 526 HB ILE 69 HB ILE 69 -7.578 -3.758 -0.969 527 1HG1 ILE 69 1HG1 ILE 69 -6.104 -2.906 -3.413 528 2HG1 ILE 69 2HG1 ILE 69 -7.688 -2.192 -3.125 529 1HG2 ILE 69 1HG2 ILE 69 -5.240 -4.496 -1.769 530 2HG2 ILE 69 2HG2 ILE 69 -6.119 -5.475 -2.944 531 3HG2 ILE 69 3HG2 ILE 69 -6.372 -5.731 -1.218 532 1HD1 ILE 69 1HD1 ILE 69 -5.166 -1.589 -1.909 533 2HD1 ILE 69 2HD1 ILE 69 -6.350 -2.041 -0.684 534 3HD1 ILE 69 3HD1 ILE 69 -6.699 -0.725 -1.805 535 H LYS 70 H LYS 70 -10.081 -4.733 -0.732 536 HA LYS 70 HA LYS 70 -9.499 -7.458 -0.116 537 1HB LYS 70 1HB LYS 70 -11.014 -7.213 1.733 538 2HB LYS 70 2HB LYS 70 -10.017 -5.771 1.615 539 1HG LYS 70 1HG LYS 70 -11.883 -4.600 1.729 540 2HG LYS 70 2HG LYS 70 -12.229 -5.166 0.097 541 1HD LYS 70 1HD LYS 70 -13.144 -7.271 1.425 542 2HD LYS 70 2HD LYS 70 -13.348 -6.062 2.694 543 1HE LYS 70 1HE LYS 70 -15.091 -5.121 1.657 544 2HE LYS 70 2HE LYS 70 -14.276 -5.138 0.094 545 1HZ LYS 70 1HZ LYS 70 -16.224 -6.502 -0.008 546 2HZ LYS 70 2HZ LYS 70 -15.742 -7.395 1.346 547 3HZ LYS 70 3HZ LYS 70 -14.864 -7.506 -0.095 548 H GLN 71 H GLN 71 -11.859 -5.842 -2.023 549 HA GLN 71 HA GLN 71 -13.867 -7.815 -1.954 550 1HB GLN 71 1HB GLN 71 -13.302 -5.394 -3.486 551 2HB GLN 71 2HB GLN 71 -14.141 -6.628 -4.418 552 1HG GLN 71 1HG GLN 71 -16.004 -6.589 -3.043 553 2HG GLN 71 2HG GLN 71 -15.120 -5.852 -1.706 554 1HE2 GLN 71 1HE2 GLN 71 -14.011 -3.699 -2.589 555 2HE2 GLN 71 2HE2 GLN 71 -15.141 -2.595 -3.290 556 H ARG 72 H ARG 72 -11.162 -7.260 -4.107 557 HA ARG 72 HA ARG 72 -11.715 -9.798 -5.467 558 1HB ARG 72 1HB ARG 72 -10.475 -7.259 -6.261 559 2HB ARG 72 2HB ARG 72 -9.626 -8.688 -6.833 560 1HG ARG 72 1HG ARG 72 -11.051 -8.626 -8.542 561 2HG ARG 72 2HG ARG 72 -12.224 -9.299 -7.407 562 1HD ARG 72 1HD ARG 72 -13.468 -7.512 -7.904 563 2HD ARG 72 2HD ARG 72 -12.359 -6.620 -6.869 564 HE ARG 72 HE ARG 72 -12.202 -6.765 -9.806 565 1HH1 ARG 72 1HH1 ARG 72 -11.432 -5.154 -6.795 566 2HH1 ARG 72 2HH1 ARG 72 -10.757 -3.766 -7.577 567 1HH2 ARG 72 1HH2 ARG 72 -11.307 -4.943 -10.817 568 2HH2 ARG 72 2HH2 ARG 72 -10.684 -3.646 -9.853 569 H HIS 73 H HIS 73 -9.465 -8.206 -3.396 570 HA HIS 73 HA HIS 73 -7.870 -10.671 -3.297 571 1HB HIS 73 1HB HIS 73 -6.683 -7.908 -3.013 572 2HB HIS 73 2HB HIS 73 -5.827 -9.441 -3.164 573 HD1 HIS 73 HD1 HIS 73 -6.109 -10.649 -5.567 574 HD2 HIS 73 HD2 HIS 73 -7.161 -6.635 -5.359 575 HE1 HIS 73 HE1 HIS 73 -6.190 -9.853 -7.951 576 HE2 HIS 73 HE2 HIS 73 -6.892 -7.439 -7.803 577 HA PRO 74 HA PRO 74 -9.350 -9.514 0.930 578 1HB PRO 74 1HB PRO 74 -10.290 -11.940 1.611 579 2HB PRO 74 2HB PRO 74 -11.245 -10.802 0.654 580 1HG PRO 74 1HG PRO 74 -9.632 -13.155 -0.255 581 2HG PRO 74 2HG PRO 74 -11.254 -12.651 -0.763 582 1HD PRO 74 1HD PRO 74 -9.009 -12.120 -2.209 583 2HD PRO 74 2HD PRO 74 -10.443 -11.074 -2.223 584 H MET 75 H MET 75 -6.656 -10.120 0.093 585 HA MET 75 HA MET 75 -5.691 -11.308 2.530 586 1HB MET 75 1HB MET 75 -4.976 -12.511 -0.141 587 2HB MET 75 2HB MET 75 -4.222 -12.927 1.391 588 1HG MET 75 1HG MET 75 -6.285 -13.839 2.219 589 2HG MET 75 2HG MET 75 -7.145 -13.297 0.779 590 1HE MET 75 1HE MET 75 -7.629 -16.504 -0.499 591 2HE MET 75 2HE MET 75 -8.143 -15.393 0.771 592 3HE MET 75 3HE MET 75 -7.287 -16.877 1.190 593 H LEU 76 H LEU 76 -4.968 -9.891 -0.592 594 HA LEU 76 HA LEU 76 -2.299 -9.234 -0.235 595 1HB LEU 76 1HB LEU 76 -3.367 -8.937 -2.381 596 2HB LEU 76 2HB LEU 76 -4.441 -7.714 -1.724 597 HG LEU 76 HG LEU 76 -2.286 -6.392 -1.210 598 1HD1 LEU 76 1HD1 LEU 76 -0.948 -8.539 -1.826 599 2HD1 LEU 76 2HD1 LEU 76 -0.327 -6.949 -2.274 600 3HD1 LEU 76 3HD1 LEU 76 -1.141 -7.952 -3.476 601 1HD2 LEU 76 1HD2 LEU 76 -3.199 -6.849 -4.043 602 2HD2 LEU 76 2HD2 LEU 76 -2.291 -5.448 -3.467 603 3HD2 LEU 76 3HD2 LEU 76 -3.929 -5.747 -2.877 604 HA PRO 77 HA PRO 77 -2.888 -6.325 3.142 605 1HB PRO 77 1HB PRO 77 -0.282 -6.031 3.752 606 2HB PRO 77 2HB PRO 77 -1.214 -7.441 4.257 607 1HG PRO 77 1HG PRO 77 0.703 -7.148 1.982 608 2HG PRO 77 2HG PRO 77 0.490 -8.507 3.099 609 1HD PRO 77 1HD PRO 77 -0.534 -8.459 0.567 610 2HD PRO 77 2HD PRO 77 -1.262 -9.374 1.903 611 H VAL 78 H VAL 78 -2.869 -4.127 3.194 612 HA VAL 78 HA VAL 78 -1.269 -2.713 1.167 613 HB VAL 78 HB VAL 78 -3.963 -1.706 1.972 614 1HG1 VAL 78 1HG1 VAL 78 -3.856 -0.451 0.011 615 2HG1 VAL 78 2HG1 VAL 78 -2.610 -1.483 -0.685 616 3HG1 VAL 78 3HG1 VAL 78 -2.213 -0.404 0.650 617 1HG2 VAL 78 1HG2 VAL 78 -5.163 -3.063 0.606 618 2HG2 VAL 78 2HG2 VAL 78 -3.872 -4.198 0.988 619 3HG2 VAL 78 3HG2 VAL 78 -3.828 -3.291 -0.522 620 H ILE 79 H ILE 79 -0.642 -0.570 1.695 621 HA ILE 79 HA ILE 79 -0.910 0.100 4.554 622 HB ILE 79 HB ILE 79 1.465 0.925 2.910 623 1HG1 ILE 79 1HG1 ILE 79 1.964 -1.251 4.761 624 2HG1 ILE 79 2HG1 ILE 79 0.849 -1.732 3.493 625 1HG2 ILE 79 1HG2 ILE 79 2.341 1.678 4.860 626 2HG2 ILE 79 2HG2 ILE 79 1.581 0.408 5.819 627 3HG2 ILE 79 3HG2 ILE 79 0.636 1.802 5.295 628 1HD1 ILE 79 1HD1 ILE 79 3.282 -2.163 3.055 629 2HD1 ILE 79 2HD1 ILE 79 3.489 -0.416 2.939 630 3HD1 ILE 79 3HD1 ILE 79 2.432 -1.258 1.802 631 H ILE 80 H ILE 80 -2.022 1.869 4.884 632 HA ILE 80 HA ILE 80 -2.322 3.814 2.733 633 HB ILE 80 HB ILE 80 -3.771 3.829 5.366 634 1HG1 ILE 80 1HG1 ILE 80 -4.063 1.651 4.224 635 2HG1 ILE 80 2HG1 ILE 80 -5.557 2.576 4.288 636 1HG2 ILE 80 1HG2 ILE 80 -5.026 4.793 2.880 637 2HG2 ILE 80 2HG2 ILE 80 -3.665 5.744 3.470 638 3HG2 ILE 80 3HG2 ILE 80 -5.063 5.468 4.507 639 1HD1 ILE 80 1HD1 ILE 80 -4.951 3.367 1.937 640 2HD1 ILE 80 2HD1 ILE 80 -5.504 1.705 2.136 641 3HD1 ILE 80 3HD1 ILE 80 -3.785 2.043 1.942 642 H MET 81 H MET 81 -1.785 5.957 2.884 643 HA MET 81 HA MET 81 0.303 6.589 4.784 644 1HB MET 81 1HB MET 81 -0.146 8.933 3.403 645 2HB MET 81 2HB MET 81 1.051 7.709 3.022 646 1HG MET 81 1HG MET 81 -1.708 7.443 1.939 647 2HG MET 81 2HG MET 81 -0.590 8.588 1.207 648 1HE MET 81 1HE MET 81 1.779 8.019 1.003 649 2HE MET 81 2HE MET 81 1.958 7.048 -0.459 650 3HE MET 81 3HE MET 81 2.470 6.400 1.099 651 H THR 82 H THR 82 -3.078 7.139 4.681 652 HA THR 82 HA THR 82 -2.780 8.777 7.060 653 HB THR 82 HB THR 82 -4.600 9.787 4.891 654 HG1 THR 82 HG1 THR 82 -2.905 10.440 3.857 655 1HG2 THR 82 1HG2 THR 82 -4.711 10.585 7.337 656 2HG2 THR 82 2HG2 THR 82 -4.637 11.794 6.056 657 3HG2 THR 82 3HG2 THR 82 -3.188 11.397 6.975 658 H ALA 83 H ALA 83 -4.487 8.700 8.489 659 HA ALA 83 HA ALA 83 -6.770 7.010 7.722 660 1HB ALA 83 1HB ALA 83 -6.386 5.506 9.314 661 2HB ALA 83 2HB ALA 83 -6.024 6.746 10.518 662 3HB ALA 83 3HB ALA 83 -4.764 6.195 9.413 663 H HIS 84 H HIS 84 -6.772 9.835 7.699 664 HA HIS 84 HA HIS 84 -8.015 10.688 10.185 665 1HB HIS 84 1HB HIS 84 -8.102 12.921 9.109 666 2HB HIS 84 2HB HIS 84 -6.480 12.243 9.168 667 HD1 HIS 84 HD1 HIS 84 -5.753 13.761 7.198 668 HD2 HIS 84 HD2 HIS 84 -8.795 11.098 6.252 669 HE1 HIS 84 HE1 HIS 84 -5.917 13.783 4.693 670 HE2 HIS 84 HE2 HIS 84 -7.700 12.097 4.140 671 H SER 85 H SER 85 -9.060 9.323 7.271 672 HA SER 85 HA SER 85 -11.668 10.624 7.378 673 1HB SER 85 1HB SER 85 -10.215 9.830 5.241 674 2HB SER 85 2HB SER 85 -11.227 8.406 5.468 675 HG SER 85 HG SER 85 -12.701 9.517 4.481 676 H ASP 86 H ASP 86 -13.279 8.513 6.485 677 HA ASP 86 HA ASP 86 -14.134 7.385 8.861 678 1HB ASP 86 1HB ASP 86 -14.737 7.043 6.027 679 2HB ASP 86 2HB ASP 86 -14.962 5.561 6.950 680 H LEU 87 H LEU 87 -12.536 6.418 10.063 681 HA LEU 87 HA LEU 87 -10.649 4.575 9.135 682 1HB LEU 87 1HB LEU 87 -11.490 5.644 11.660 683 2HB LEU 87 2HB LEU 87 -11.271 3.912 11.814 684 HG LEU 87 HG LEU 87 -9.196 5.883 10.849 685 1HD1 LEU 87 1HD1 LEU 87 -9.473 4.325 13.412 686 2HD1 LEU 87 2HD1 LEU 87 -9.539 6.075 13.216 687 3HD1 LEU 87 3HD1 LEU 87 -8.027 5.213 12.929 688 1HD2 LEU 87 1HD2 LEU 87 -8.139 4.164 9.929 689 2HD2 LEU 87 2HD2 LEU 87 -9.426 3.067 10.426 690 3HD2 LEU 87 3HD2 LEU 87 -8.068 3.381 11.507 691 H ASP 88 H ASP 88 -13.993 4.240 9.776 692 HA ASP 88 HA ASP 88 -14.366 1.636 10.500 693 1HB ASP 88 1HB ASP 88 -15.956 3.317 8.559 694 2HB ASP 88 2HB ASP 88 -16.506 1.758 9.167 695 H ALA 89 H ALA 89 -13.758 2.828 7.215 696 HA ALA 89 HA ALA 89 -14.065 0.307 5.976 697 1HB ALA 89 1HB ALA 89 -12.791 1.465 4.076 698 2HB ALA 89 2HB ALA 89 -12.872 2.901 5.098 699 3HB ALA 89 3HB ALA 89 -14.356 2.122 4.557 700 H ALA 90 H ALA 90 -11.456 1.765 7.690 701 HA ALA 90 HA ALA 90 -9.323 0.268 6.547 702 1HB ALA 90 1HB ALA 90 -9.467 1.447 9.321 703 2HB ALA 90 2HB ALA 90 -8.947 2.314 7.879 704 3HB ALA 90 3HB ALA 90 -8.003 0.944 8.468 705 H VAL 91 H VAL 91 -11.817 -0.460 8.816 706 HA VAL 91 HA VAL 91 -10.526 -2.617 10.128 707 HB VAL 91 HB VAL 91 -13.505 -2.451 9.791 708 1HG1 VAL 91 1HG1 VAL 91 -13.067 -3.207 12.318 709 2HG1 VAL 91 2HG1 VAL 91 -11.563 -3.781 11.591 710 3HG1 VAL 91 3HG1 VAL 91 -13.117 -4.353 10.976 711 1HG2 VAL 91 1HG2 VAL 91 -13.615 -0.981 11.724 712 2HG2 VAL 91 2HG2 VAL 91 -12.690 -0.208 10.439 713 3HG2 VAL 91 3HG2 VAL 91 -11.855 -0.930 11.814 714 H SER 92 H SER 92 -12.642 -2.391 7.291 715 HA SER 92 HA SER 92 -12.882 -5.156 6.825 716 1HB SER 92 1HB SER 92 -13.520 -4.571 4.551 717 2HB SER 92 2HB SER 92 -14.260 -3.426 5.671 718 HG SER 92 HG SER 92 -13.253 -1.910 4.649 719 H ALA 93 H ALA 93 -10.272 -3.010 6.573 720 HA ALA 93 HA ALA 93 -8.742 -4.393 4.618 721 1HB ALA 93 1HB ALA 93 -7.113 -2.784 4.986 722 2HB ALA 93 2HB ALA 93 -7.606 -2.545 6.662 723 3HB ALA 93 3HB ALA 93 -8.614 -1.935 5.348 724 H TYR 94 H TYR 94 -8.479 -4.046 8.115 725 HA TYR 94 HA TYR 94 -6.347 -5.803 8.491 726 1HB TYR 94 1HB TYR 94 -8.491 -5.524 10.569 727 2HB TYR 94 2HB TYR 94 -6.750 -5.660 10.787 728 HD1 TYR 94 HD1 TYR 94 -5.575 -3.607 9.238 729 HD2 TYR 94 HD2 TYR 94 -9.262 -3.509 11.354 730 HE1 TYR 94 HE1 TYR 94 -5.411 -1.156 9.384 731 HE2 TYR 94 HE2 TYR 94 -9.115 -1.054 11.511 732 HH TYR 94 HH TYR 94 -6.306 0.721 10.214 733 H GLN 95 H GLN 95 -9.741 -6.401 8.128 734 HA GLN 95 HA GLN 95 -9.619 -9.131 9.007 735 1HB GLN 95 1HB GLN 95 -11.916 -9.297 8.232 736 2HB GLN 95 2HB GLN 95 -11.685 -7.815 9.149 737 1HG GLN 95 1HG GLN 95 -12.911 -7.029 7.410 738 2HG GLN 95 2HG GLN 95 -11.281 -6.779 6.799 739 1HE2 GLN 95 1HE2 GLN 95 -12.981 -6.759 4.888 740 2HE2 GLN 95 2HE2 GLN 95 -13.067 -8.252 4.021 741 H GLN 96 H GLN 96 -9.372 -7.478 5.906 742 HA GLN 96 HA GLN 96 -9.410 -9.930 4.417 743 1HB GLN 96 1HB GLN 96 -9.033 -8.586 2.461 744 2HB GLN 96 2HB GLN 96 -10.249 -7.796 3.454 745 1HG GLN 96 1HG GLN 96 -8.923 -6.026 2.846 746 2HG GLN 96 2HG GLN 96 -8.228 -6.469 4.395 747 1HE2 GLN 96 1HE2 GLN 96 -6.423 -5.204 3.411 748 2HE2 GLN 96 2HE2 GLN 96 -5.268 -6.073 2.463 749 H GLY 97 H GLY 97 -7.078 -8.105 6.118 750 1HA GLY 97 1HA GLY 97 -4.972 -9.243 6.583 751 2HA GLY 97 2HA GLY 97 -4.952 -9.750 4.902 752 H ALA 98 H ALA 98 -5.770 -6.476 5.943 753 HA ALA 98 HA ALA 98 -3.922 -5.325 4.155 754 1HB ALA 98 1HB ALA 98 -4.689 -3.258 4.852 755 2HB ALA 98 2HB ALA 98 -5.009 -3.817 6.495 756 3HB ALA 98 3HB ALA 98 -6.063 -4.316 5.173 757 H PHE 99 H PHE 99 -2.251 -3.644 4.936 758 HA PHE 99 HA PHE 99 -0.399 -5.039 6.649 759 1HB PHE 99 1HB PHE 99 -0.141 -3.367 4.444 760 2HB PHE 99 2HB PHE 99 0.424 -2.383 5.783 761 HD1 PHE 99 HD1 PHE 99 0.806 -5.989 4.894 762 HD2 PHE 99 HD2 PHE 99 2.702 -2.307 5.837 763 HE1 PHE 99 HE1 PHE 99 2.998 -7.079 4.696 764 HE2 PHE 99 HE2 PHE 99 4.903 -3.389 5.648 765 HZ PHE 99 HZ PHE 99 5.050 -5.780 5.074 766 H ASP 100 H ASP 100 -1.755 -1.747 6.519 767 HA ASP 100 HA ASP 100 -2.591 -1.414 9.079 768 1HB ASP 100 1HB ASP 100 0.277 -1.669 9.052 769 2HB ASP 100 2HB ASP 100 -0.145 -0.043 9.567 770 H TYR 101 H TYR 101 -1.612 1.105 9.803 771 HA TYR 101 HA TYR 101 -2.140 2.770 7.442 772 1HB TYR 101 1HB TYR 101 -3.717 2.588 9.939 773 2HB TYR 101 2HB TYR 101 -3.350 4.224 9.402 774 HD1 TYR 101 HD1 TYR 101 -4.982 1.038 8.362 775 HD2 TYR 101 HD2 TYR 101 -4.486 5.205 7.619 776 HE1 TYR 101 HE1 TYR 101 -6.845 0.975 6.760 777 HE2 TYR 101 HE2 TYR 101 -6.355 5.152 6.025 778 HH TYR 101 HH TYR 101 -7.828 2.149 5.007 779 H LEU 102 H LEU 102 -0.363 3.960 7.170 780 HA LEU 102 HA LEU 102 1.156 4.848 9.522 781 1HB LEU 102 1HB LEU 102 2.475 3.618 7.929 782 2HB LEU 102 2HB LEU 102 1.895 4.607 6.604 783 HG LEU 102 HG LEU 102 3.059 6.532 8.061 784 1HD1 LEU 102 1HD1 LEU 102 5.119 4.466 8.478 785 2HD1 LEU 102 2HD1 LEU 102 3.741 4.399 9.582 786 3HD1 LEU 102 3HD1 LEU 102 4.703 5.872 9.464 787 1HD2 LEU 102 1HD2 LEU 102 5.017 6.291 6.637 788 2HD2 LEU 102 2HD2 LEU 102 3.528 6.024 5.734 789 3HD2 LEU 102 3HD2 LEU 102 4.521 4.651 6.224 790 HA PRO 103 HA PRO 103 -0.288 9.008 9.109 791 1HB PRO 103 1HB PRO 103 2.045 10.336 9.792 792 2HB PRO 103 2HB PRO 103 0.882 9.684 10.944 793 1HG PRO 103 1HG PRO 103 3.448 8.495 9.966 794 2HG PRO 103 2HG PRO 103 2.769 8.509 11.606 795 1HD PRO 103 1HD PRO 103 2.623 6.327 10.069 796 2HD PRO 103 2HD PRO 103 1.281 6.786 11.137 797 H LYS 104 H LYS 104 0.318 11.094 7.924 798 HA LYS 104 HA LYS 104 0.616 10.671 5.259 799 1HB LYS 104 1HB LYS 104 -0.073 12.826 6.265 800 2HB LYS 104 2HB LYS 104 1.611 13.155 6.652 801 1HG LYS 104 1HG LYS 104 0.824 14.286 4.600 802 2HG LYS 104 2HG LYS 104 2.201 13.217 4.333 803 1HD LYS 104 1HD LYS 104 -0.314 11.816 3.992 804 2HD LYS 104 2HD LYS 104 -0.209 13.221 2.934 805 1HE LYS 104 1HE LYS 104 2.144 12.330 2.351 806 2HE LYS 104 2HE LYS 104 1.579 10.818 3.059 807 1HZ LYS 104 1HZ LYS 104 0.381 12.242 0.746 808 2HZ LYS 104 2HZ LYS 104 -0.300 10.882 1.484 809 3HZ LYS 104 3HZ LYS 104 1.198 10.756 0.708 810 HA PRO 105 HA PRO 105 5.481 11.583 5.674 811 1HB PRO 105 1HB PRO 105 5.723 9.897 8.131 812 2HB PRO 105 2HB PRO 105 6.690 11.287 7.624 813 1HG PRO 105 1HG PRO 105 4.849 11.537 9.538 814 2HG PRO 105 2HG PRO 105 5.106 12.823 8.343 815 1HD PRO 105 1HD PRO 105 2.898 10.840 8.547 816 2HD PRO 105 2HD PRO 105 2.860 12.510 7.954 817 H PHE 106 H PHE 106 7.047 9.897 5.016 818 HA PHE 106 HA PHE 106 6.461 7.158 5.150 819 1HB PHE 106 1HB PHE 106 4.893 8.592 3.240 820 2HB PHE 106 2HB PHE 106 6.012 7.560 2.360 821 HD1 PHE 106 HD1 PHE 106 2.810 7.644 3.297 822 HD2 PHE 106 HD2 PHE 106 6.210 5.174 3.857 823 HE1 PHE 106 HE1 PHE 106 1.343 5.710 3.623 824 HE2 PHE 106 HE2 PHE 106 4.750 3.228 4.209 825 HZ PHE 106 HZ PHE 106 2.303 3.504 4.100 826 H ASP 107 H ASP 107 7.406 8.793 2.150 827 HA ASP 107 HA ASP 107 9.296 8.479 0.887 828 1HB ASP 107 1HB ASP 107 11.304 9.409 1.923 829 2HB ASP 107 2HB ASP 107 9.896 10.375 2.346 830 H ILE 108 H ILE 108 11.837 7.591 1.444 831 HA ILE 108 HA ILE 108 11.416 4.807 1.517 832 HB ILE 108 HB ILE 108 13.759 6.565 1.260 833 1HG1 ILE 108 1HG1 ILE 108 14.079 5.500 -0.767 834 2HG1 ILE 108 2HG1 ILE 108 13.272 4.030 -0.230 835 1HG2 ILE 108 1HG2 ILE 108 14.583 5.046 2.958 836 2HG2 ILE 108 2HG2 ILE 108 15.352 4.707 1.408 837 3HG2 ILE 108 3HG2 ILE 108 14.060 3.668 1.995 838 1HD1 ILE 108 1HD1 ILE 108 11.131 5.190 -0.324 839 2HD1 ILE 108 2HD1 ILE 108 11.955 5.199 -1.873 840 3HD1 ILE 108 3HD1 ILE 108 11.943 6.648 -0.879 841 H ASP 109 H ASP 109 12.995 6.975 3.759 842 HA ASP 109 HA ASP 109 13.791 5.206 5.669 843 1HB ASP 109 1HB ASP 109 13.963 7.822 5.534 844 2HB ASP 109 2HB ASP 109 12.535 7.768 6.563 845 H GLU 110 H GLU 110 10.638 6.909 5.756 846 HA GLU 110 HA GLU 110 9.739 5.303 7.909 847 1HB GLU 110 1HB GLU 110 8.105 7.161 6.190 848 2HB GLU 110 2HB GLU 110 7.669 6.544 7.775 849 1HG GLU 110 1HG GLU 110 10.177 8.116 7.439 850 2HG GLU 110 2HG GLU 110 8.623 8.945 7.503 851 H ALA 111 H ALA 111 9.294 5.099 4.421 852 HA ALA 111 HA ALA 111 7.166 3.181 4.766 853 1HB ALA 111 1HB ALA 111 7.671 4.891 2.769 854 2HB ALA 111 2HB ALA 111 6.700 3.434 2.587 855 3HB ALA 111 3HB ALA 111 8.398 3.428 2.107 856 H VAL 112 H VAL 112 10.477 3.087 3.397 857 HA VAL 112 HA VAL 112 10.549 0.337 2.992 858 HB VAL 112 HB VAL 112 12.897 2.032 3.817 859 1HG1 VAL 112 1HG1 VAL 112 13.446 -0.073 1.937 860 2HG1 VAL 112 2HG1 VAL 112 12.645 -0.726 3.369 861 3HG1 VAL 112 3HG1 VAL 112 14.136 0.206 3.537 862 1HG2 VAL 112 1HG2 VAL 112 13.116 1.806 1.144 863 2HG2 VAL 112 2HG2 VAL 112 12.347 3.170 1.953 864 3HG2 VAL 112 3HG2 VAL 112 11.360 1.859 1.307 865 H ALA 113 H ALA 113 10.978 2.242 5.846 866 HA ALA 113 HA ALA 113 12.136 0.381 7.585 867 1HB ALA 113 1HB ALA 113 11.989 2.218 8.854 868 2HB ALA 113 2HB ALA 113 10.269 1.873 9.052 869 3HB ALA 113 3HB ALA 113 10.808 2.925 7.748 870 H LEU 114 H LEU 114 8.755 1.223 7.021 871 HA LEU 114 HA LEU 114 7.701 -0.829 8.652 872 1HB LEU 114 1HB LEU 114 6.485 1.214 8.278 873 2HB LEU 114 2HB LEU 114 6.446 0.917 6.552 874 HG LEU 114 HG LEU 114 5.157 -1.280 7.345 875 1HD1 LEU 114 1HD1 LEU 114 5.199 0.459 9.684 876 2HD1 LEU 114 2HD1 LEU 114 4.773 -1.247 9.544 877 3HD1 LEU 114 3HD1 LEU 114 3.572 -0.006 9.186 878 1HD2 LEU 114 1HD2 LEU 114 3.364 -0.326 6.374 879 2HD2 LEU 114 2HD2 LEU 114 4.503 0.970 6.008 880 3HD2 LEU 114 3HD2 LEU 114 3.433 1.104 7.404 881 H VAL 115 H VAL 115 8.632 -0.763 5.296 882 HA VAL 115 HA VAL 115 7.002 -3.033 4.644 883 HB VAL 115 HB VAL 115 7.604 -1.336 2.926 884 1HG1 VAL 115 1HG1 VAL 115 10.067 -1.328 3.657 885 2HG1 VAL 115 2HG1 VAL 115 9.710 -1.228 1.937 886 3HG1 VAL 115 3HG1 VAL 115 10.226 -2.759 2.644 887 1HG2 VAL 115 1HG2 VAL 115 8.587 -3.891 1.834 888 2HG2 VAL 115 2HG2 VAL 115 7.271 -2.855 1.286 889 3HG2 VAL 115 3HG2 VAL 115 7.028 -3.941 2.660 890 H GLU 116 H GLU 116 10.543 -2.616 4.917 891 HA GLU 116 HA GLU 116 11.215 -5.273 4.461 892 1HB GLU 116 1HB GLU 116 12.590 -3.133 6.076 893 2HB GLU 116 2HB GLU 116 13.305 -4.714 5.789 894 1HG GLU 116 1HG GLU 116 12.472 -3.715 3.283 895 2HG GLU 116 2HG GLU 116 13.307 -2.407 4.118 896 H ARG 117 H ARG 117 11.086 -3.684 7.660 897 HA ARG 117 HA ARG 117 11.376 -5.961 9.199 898 1HB ARG 117 1HB ARG 117 10.413 -4.708 11.039 899 2HB ARG 117 2HB ARG 117 11.465 -3.663 10.095 900 1HG ARG 117 1HG ARG 117 9.709 -2.258 10.328 901 2HG ARG 117 2HG ARG 117 9.169 -3.107 8.878 902 1HD ARG 117 1HD ARG 117 7.288 -3.196 10.209 903 2HD ARG 117 2HD ARG 117 8.056 -4.736 10.572 904 HE ARG 117 HE ARG 117 8.843 -3.778 12.643 905 1HH1 ARG 117 1HH1 ARG 117 6.394 -1.924 10.963 906 2HH1 ARG 117 2HH1 ARG 117 5.879 -1.094 12.390 907 1HH2 ARG 117 1HH2 ARG 117 8.156 -2.683 14.506 908 2HH2 ARG 117 2HH2 ARG 117 6.875 -1.521 14.397 909 H ALA 118 H ALA 118 8.577 -4.789 7.535 910 HA ALA 118 HA ALA 118 6.697 -6.398 8.944 911 1HB ALA 118 1HB ALA 118 5.126 -5.747 7.190 912 2HB ALA 118 2HB ALA 118 6.448 -4.990 6.296 913 3HB ALA 118 3HB ALA 118 5.973 -4.368 7.880 914 H ILE 119 H ILE 119 8.210 -6.677 5.715 915 HA ILE 119 HA ILE 119 6.965 -9.119 5.057 916 HB ILE 119 HB ILE 119 9.645 -8.162 4.069 917 1HG1 ILE 119 1HG1 ILE 119 7.207 -7.685 2.461 918 2HG1 ILE 119 2HG1 ILE 119 7.389 -6.686 3.901 919 1HG2 ILE 119 1HG2 ILE 119 9.283 -10.418 3.428 920 2HG2 ILE 119 2HG2 ILE 119 8.931 -9.422 2.014 921 3HG2 ILE 119 3HG2 ILE 119 7.610 -10.088 2.975 922 1HD1 ILE 119 1HD1 ILE 119 9.434 -5.801 3.134 923 2HD1 ILE 119 2HD1 ILE 119 8.301 -5.725 1.783 924 3HD1 ILE 119 3HD1 ILE 119 9.535 -6.986 1.830 925 H SER 120 H SER 120 9.804 -8.305 6.872 926 HA SER 120 HA SER 120 11.034 -10.840 6.913 927 1HB SER 120 1HB SER 120 11.912 -8.486 7.663 928 2HB SER 120 2HB SER 120 11.247 -8.950 9.229 929 HG SER 120 HG SER 120 13.566 -9.530 8.536 930 H HIS 121 H HIS 121 8.497 -9.381 8.836 931 HA HIS 121 HA HIS 121 8.460 -11.414 10.842 932 1HB HIS 121 1HB HIS 121 6.659 -9.140 10.098 933 2HB HIS 121 2HB HIS 121 6.086 -10.370 11.220 934 HD1 HIS 121 HD1 HIS 121 9.578 -8.915 11.109 935 HD2 HIS 121 HD2 HIS 121 6.220 -8.957 13.555 936 HE1 HIS 121 HE1 HIS 121 10.284 -7.778 13.238 937 HE2 HIS 121 HE2 HIS 121 8.248 -7.854 14.721 938 H TYR 122 H TYR 122 7.007 -10.990 7.735 939 HA TYR 122 HA TYR 122 5.022 -13.024 8.075 940 1HB TYR 122 1HB TYR 122 5.937 -11.280 5.840 941 2HB TYR 122 2HB TYR 122 5.050 -12.747 5.434 942 HD1 TYR 122 HD1 TYR 122 3.005 -12.987 7.405 943 HD2 TYR 122 HD2 TYR 122 4.553 -9.448 5.623 944 HE1 TYR 122 HE1 TYR 122 0.882 -11.836 7.866 945 HE2 TYR 122 HE2 TYR 122 2.433 -8.284 6.084 946 HH TYR 122 HH TYR 122 -0.394 -9.922 7.037 947 H GLN 123 H GLN 123 7.968 -12.765 6.080 948 HA GLN 123 HA GLN 123 9.388 -14.334 5.247 949 1HB GLN 123 1HB GLN 123 9.285 -14.863 7.832 950 2HB GLN 123 2HB GLN 123 8.487 -16.329 7.280 951 1HG GLN 123 1HG GLN 123 10.375 -17.203 6.435 952 2HG GLN 123 2HG GLN 123 10.980 -15.642 5.882 953 1HE2 GLN 123 1HE2 GLN 123 11.836 -18.059 7.729 954 2HE2 GLN 123 2HE2 GLN 123 12.651 -17.246 9.017 955 H GLU 124 H GLU 124 9.481 -16.745 4.508 956 HA GLU 124 HA GLU 124 6.951 -17.266 3.120 957 1HB GLU 124 1HB GLU 124 9.429 -17.044 2.081 958 2HB GLU 124 2HB GLU 124 9.392 -18.775 2.384 959 1HG GLU 124 1HG GLU 124 7.889 -19.166 0.758 960 2HG GLU 124 2HG GLU 124 7.021 -17.659 1.044 Start of MODEL 2 1 1H MET 1 1H MET 1 15.867 -17.495 -3.428 2 2H MET 1 2H MET 1 15.610 -15.986 -2.654 3 3H MET 1 3H MET 1 15.033 -16.245 -4.248 4 HA MET 1 HA MET 1 13.841 -18.230 -3.037 5 1HB MET 1 1HB MET 1 14.459 -16.121 -0.998 6 2HB MET 1 2HB MET 1 12.948 -17.014 -0.889 7 1HG MET 1 1HG MET 1 14.426 -18.166 0.496 8 2HG MET 1 2HG MET 1 14.365 -19.119 -0.986 9 1HE MET 1 1HE MET 1 17.615 -16.055 -0.115 10 2HE MET 1 2HE MET 1 17.087 -16.948 1.311 11 3HE MET 1 3HE MET 1 15.920 -16.015 0.373 12 H GLN 2 H GLN 2 13.231 -14.807 -2.280 13 HA GLN 2 HA GLN 2 10.836 -14.946 -3.987 14 1HB GLN 2 1HB GLN 2 11.194 -14.082 -1.300 15 2HB GLN 2 2HB GLN 2 10.778 -12.670 -2.258 16 1HG GLN 2 1HG GLN 2 8.718 -13.535 -2.877 17 2HG GLN 2 2HG GLN 2 9.189 -15.190 -2.493 18 1HE2 GLN 2 1HE2 GLN 2 7.454 -12.568 -1.477 19 2HE2 GLN 2 2HE2 GLN 2 7.276 -12.978 0.191 20 H ARG 3 H ARG 3 10.267 -13.054 -5.215 21 HA ARG 3 HA ARG 3 12.584 -11.754 -6.313 22 1HB ARG 3 1HB ARG 3 10.904 -10.771 -7.923 23 2HB ARG 3 2HB ARG 3 11.030 -12.525 -7.933 24 1HG ARG 3 1HG ARG 3 8.997 -11.376 -6.131 25 2HG ARG 3 2HG ARG 3 8.703 -11.206 -7.862 26 1HD ARG 3 1HD ARG 3 8.543 -13.478 -8.195 27 2HD ARG 3 2HD ARG 3 9.533 -13.858 -6.788 28 HE ARG 3 HE ARG 3 6.855 -12.727 -6.403 29 1HH1 ARG 3 1HH1 ARG 3 9.056 -15.428 -6.064 30 2HH1 ARG 3 2HH1 ARG 3 8.020 -16.287 -4.977 31 1HH2 ARG 3 1HH2 ARG 3 5.501 -13.870 -4.980 32 2HH2 ARG 3 2HH2 ARG 3 6.007 -15.407 -4.366 33 H GLY 4 H GLY 4 9.824 -10.952 -4.364 34 1HA GLY 4 1HA GLY 4 9.547 -9.159 -2.920 35 2HA GLY 4 2HA GLY 4 11.079 -8.512 -3.487 36 H ILE 5 H ILE 5 7.641 -8.525 -3.895 37 HA ILE 5 HA ILE 5 7.894 -6.430 -5.954 38 HB ILE 5 HB ILE 5 5.365 -7.959 -5.433 39 1HG1 ILE 5 1HG1 ILE 5 6.752 -9.765 -5.958 40 2HG1 ILE 5 2HG1 ILE 5 6.105 -9.301 -7.527 41 1HG2 ILE 5 1HG2 ILE 5 6.033 -7.087 -8.137 42 2HG2 ILE 5 2HG2 ILE 5 5.910 -5.770 -6.971 43 3HG2 ILE 5 3HG2 ILE 5 4.551 -6.869 -7.208 44 1HD1 ILE 5 1HD1 ILE 5 8.837 -9.371 -6.594 45 2HD1 ILE 5 2HD1 ILE 5 8.417 -7.807 -7.294 46 3HD1 ILE 5 3HD1 ILE 5 8.202 -9.281 -8.237 47 H VAL 6 H VAL 6 7.673 -4.479 -5.114 48 HA VAL 6 HA VAL 6 5.736 -4.076 -2.928 49 HB VAL 6 HB VAL 6 8.040 -3.586 -2.270 50 1HG1 VAL 6 1HG1 VAL 6 9.505 -2.367 -3.466 51 2HG1 VAL 6 2HG1 VAL 6 8.281 -1.208 -3.985 52 3HG1 VAL 6 3HG1 VAL 6 8.434 -2.757 -4.807 53 1HG2 VAL 6 1HG2 VAL 6 6.905 -0.860 -2.482 54 2HG2 VAL 6 2HG2 VAL 6 7.501 -1.736 -1.073 55 3HG2 VAL 6 3HG2 VAL 6 5.898 -2.087 -1.714 56 H TRP 7 H TRP 7 3.992 -2.864 -3.360 57 HA TRP 7 HA TRP 7 4.079 -1.105 -5.723 58 1HB TRP 7 1HB TRP 7 1.886 -2.841 -4.622 59 2HB TRP 7 2HB TRP 7 1.508 -1.457 -5.649 60 HD1 TRP 7 HD1 TRP 7 4.691 -2.917 -6.781 61 HE1 TRP 7 HE1 TRP 7 4.338 -4.381 -8.858 62 HE3 TRP 7 HE3 TRP 7 -0.397 -3.343 -6.612 63 HZ2 TRP 7 HZ2 TRP 7 2.187 -5.558 -10.247 64 HZ3 TRP 7 HZ3 TRP 7 -1.525 -4.661 -8.357 65 HH2 TRP 7 HH2 TRP 7 -0.253 -5.751 -10.133 66 H VAL 8 H VAL 8 3.388 0.995 -5.538 67 HA VAL 8 HA VAL 8 2.399 1.863 -2.900 68 HB VAL 8 HB VAL 8 4.128 3.792 -4.308 69 1HG1 VAL 8 1HG1 VAL 8 3.559 2.978 -1.493 70 2HG1 VAL 8 2HG1 VAL 8 3.438 4.561 -2.260 71 3HG1 VAL 8 3HG1 VAL 8 5.020 3.893 -1.862 72 1HG2 VAL 8 1HG2 VAL 8 6.096 2.509 -2.996 73 2HG2 VAL 8 2HG2 VAL 8 5.762 2.297 -4.717 74 3HG2 VAL 8 3HG2 VAL 8 5.144 1.129 -3.545 75 H VAL 9 H VAL 9 0.848 3.405 -2.891 76 HA VAL 9 HA VAL 9 0.185 4.701 -5.451 77 HB VAL 9 HB VAL 9 -2.130 4.275 -3.701 78 1HG1 VAL 9 1HG1 VAL 9 -2.730 3.271 -6.188 79 2HG1 VAL 9 2HG1 VAL 9 -1.464 4.460 -6.529 80 3HG1 VAL 9 3HG1 VAL 9 -2.912 4.951 -5.681 81 1HG2 VAL 9 1HG2 VAL 9 -0.918 2.155 -3.351 82 2HG2 VAL 9 2HG2 VAL 9 -0.922 1.896 -5.081 83 3HG2 VAL 9 3HG2 VAL 9 -2.445 1.935 -4.193 84 H ASP 10 H ASP 10 0.717 6.768 -5.154 85 HA ASP 10 HA ASP 10 -0.678 8.595 -3.712 86 1HB ASP 10 1HB ASP 10 0.046 7.501 -1.632 87 2HB ASP 10 2HB ASP 10 1.731 7.743 -2.074 88 H ASP 11 H ASP 11 -0.269 10.306 -4.909 89 HA ASP 11 HA ASP 11 0.815 11.997 -5.972 90 1HB ASP 11 1HB ASP 11 2.516 11.377 -3.893 91 2HB ASP 11 2HB ASP 11 3.562 11.251 -5.305 92 H ASP 12 H ASP 12 2.429 8.856 -6.171 93 HA ASP 12 HA ASP 12 3.040 7.598 -7.944 94 1HB ASP 12 1HB ASP 12 0.988 8.392 -9.053 95 2HB ASP 12 2HB ASP 12 1.853 9.804 -9.645 96 H SER 13 H SER 13 3.592 10.164 -10.159 97 HA SER 13 HA SER 13 6.043 9.870 -10.922 98 1HB SER 13 1HB SER 13 6.374 12.346 -11.035 99 2HB SER 13 2HB SER 13 4.816 11.792 -11.648 100 HG SER 13 HG SER 13 4.135 13.302 -10.322 101 H SER 14 H SER 14 6.015 12.368 -8.482 102 HA SER 14 HA SER 14 8.647 12.104 -7.726 103 1HB SER 14 1HB SER 14 6.248 13.340 -6.465 104 2HB SER 14 2HB SER 14 7.706 13.174 -5.487 105 HG SER 14 HG SER 14 8.522 14.785 -6.544 106 H ILE 15 H ILE 15 5.820 10.615 -6.149 107 HA ILE 15 HA ILE 15 7.320 9.447 -4.061 108 HB ILE 15 HB ILE 15 4.566 8.790 -5.117 109 1HG1 ILE 15 1HG1 ILE 15 4.975 11.033 -4.073 110 2HG1 ILE 15 2HG1 ILE 15 3.785 10.054 -3.224 111 1HG2 ILE 15 1HG2 ILE 15 6.216 7.286 -3.292 112 2HG2 ILE 15 2HG2 ILE 15 4.610 6.912 -3.914 113 3HG2 ILE 15 3HG2 ILE 15 4.788 7.903 -2.467 114 1HD1 ILE 15 1HD1 ILE 15 6.609 9.939 -2.322 115 2HD1 ILE 15 2HD1 ILE 15 5.115 9.779 -1.398 116 3HD1 ILE 15 3HD1 ILE 15 5.653 11.370 -1.939 117 H ARG 16 H ARG 16 6.879 8.545 -7.335 118 HA ARG 16 HA ARG 16 7.424 5.745 -6.981 119 1HB ARG 16 1HB ARG 16 6.111 6.770 -8.890 120 2HB ARG 16 2HB ARG 16 7.643 7.340 -9.529 121 1HG ARG 16 1HG ARG 16 8.407 4.928 -9.498 122 2HG ARG 16 2HG ARG 16 6.723 4.501 -9.199 123 1HD ARG 16 1HD ARG 16 6.280 4.667 -11.368 124 2HD ARG 16 2HD ARG 16 6.807 6.349 -11.360 125 HE ARG 16 HE ARG 16 9.045 4.629 -11.465 126 1HH1 ARG 16 1HH1 ARG 16 6.421 5.805 -13.441 127 2HH1 ARG 16 2HH1 ARG 16 7.296 5.631 -14.926 128 1HH2 ARG 16 1HH2 ARG 16 10.197 4.398 -13.417 129 2HH2 ARG 16 2HH2 ARG 16 9.437 4.829 -14.913 130 H TRP 17 H TRP 17 9.239 8.437 -8.437 131 HA TRP 17 HA TRP 17 11.579 7.120 -9.020 132 1HB TRP 17 1HB TRP 17 11.061 9.429 -9.716 133 2HB TRP 17 2HB TRP 17 11.341 9.973 -8.064 134 HD1 TRP 17 HD1 TRP 17 13.285 8.350 -10.989 135 HE1 TRP 17 HE1 TRP 17 15.755 9.043 -10.783 136 HE3 TRP 17 HE3 TRP 17 13.049 10.896 -6.561 137 HZ2 TRP 17 HZ2 TRP 17 17.390 10.472 -8.979 138 HZ3 TRP 17 HZ3 TRP 17 15.111 11.893 -5.664 139 HH2 TRP 17 HH2 TRP 17 17.235 11.686 -6.848 140 H VAL 18 H VAL 18 10.699 8.636 -5.930 141 HA VAL 18 HA VAL 18 13.220 8.148 -4.737 142 HB VAL 18 HB VAL 18 10.795 8.410 -3.029 143 1HG1 VAL 18 1HG1 VAL 18 13.337 9.961 -2.787 144 2HG1 VAL 18 2HG1 VAL 18 13.288 8.264 -2.309 145 3HG1 VAL 18 3HG1 VAL 18 12.221 9.431 -1.528 146 1HG2 VAL 18 1HG2 VAL 18 11.470 10.261 -5.150 147 2HG2 VAL 18 2HG2 VAL 18 11.564 11.029 -3.568 148 3HG2 VAL 18 3HG2 VAL 18 10.073 10.239 -4.075 149 H LEU 19 H LEU 19 10.100 6.559 -4.367 150 HA LEU 19 HA LEU 19 11.075 4.557 -2.626 151 1HB LEU 19 1HB LEU 19 8.529 4.983 -4.112 152 2HB LEU 19 2HB LEU 19 8.837 3.409 -3.401 153 HG LEU 19 HG LEU 19 7.496 4.751 -1.906 154 1HD1 LEU 19 1HD1 LEU 19 9.086 3.191 -0.918 155 2HD1 LEU 19 2HD1 LEU 19 8.865 4.613 0.102 156 3HD1 LEU 19 3HD1 LEU 19 10.315 4.453 -0.887 157 1HD2 LEU 19 1HD2 LEU 19 8.640 6.769 -0.831 158 2HD2 LEU 19 2HD2 LEU 19 7.973 6.974 -2.450 159 3HD2 LEU 19 3HD2 LEU 19 9.706 6.751 -2.234 160 H GLU 20 H GLU 20 10.874 4.756 -6.091 161 HA GLU 20 HA GLU 20 11.069 1.988 -6.580 162 1HB GLU 20 1HB GLU 20 11.546 2.521 -8.862 163 2HB GLU 20 2HB GLU 20 10.292 3.596 -8.279 164 1HG GLU 20 1HG GLU 20 12.004 5.347 -7.991 165 2HG GLU 20 2HG GLU 20 13.187 4.255 -8.706 166 H ARG 21 H ARG 21 13.580 4.474 -6.886 167 HA ARG 21 HA ARG 21 15.675 2.668 -7.334 168 1HB ARG 21 1HB ARG 21 15.730 5.487 -6.264 169 2HB ARG 21 2HB ARG 21 17.165 4.582 -6.725 170 1HG ARG 21 1HG ARG 21 15.067 4.681 -8.766 171 2HG ARG 21 2HG ARG 21 15.795 6.237 -8.367 172 1HD ARG 21 1HD ARG 21 17.837 5.641 -9.179 173 2HD ARG 21 2HD ARG 21 17.616 3.938 -8.781 174 HE ARG 21 HE ARG 21 16.118 5.140 -11.003 175 1HH1 ARG 21 1HH1 ARG 21 18.464 2.819 -9.850 176 2HH1 ARG 21 2HH1 ARG 21 18.508 1.944 -11.342 177 1HH2 ARG 21 1HH2 ARG 21 16.188 3.988 -12.962 178 2HH2 ARG 21 2HH2 ARG 21 17.222 2.607 -13.106 179 H ALA 22 H ALA 22 14.985 4.468 -4.320 180 HA ALA 22 HA ALA 22 16.941 3.275 -2.774 181 1HB ALA 22 1HB ALA 22 14.392 4.651 -2.177 182 2HB ALA 22 2HB ALA 22 16.033 5.037 -1.661 183 3HB ALA 22 3HB ALA 22 15.144 3.733 -0.873 184 H LEU 23 H LEU 23 13.550 2.316 -2.959 185 HA LEU 23 HA LEU 23 13.898 -0.026 -1.410 186 1HB LEU 23 1HB LEU 23 11.733 1.148 -1.766 187 2HB LEU 23 2HB LEU 23 11.737 0.567 -3.414 188 HG LEU 23 HG LEU 23 11.455 -1.684 -2.735 189 1HD1 LEU 23 1HD1 LEU 23 12.919 -1.877 -0.881 190 2HD1 LEU 23 2HD1 LEU 23 11.304 -2.270 -0.295 191 3HD1 LEU 23 3HD1 LEU 23 12.007 -0.687 0.051 192 1HD2 LEU 23 1HD2 LEU 23 9.347 -1.620 -1.599 193 2HD2 LEU 23 2HD2 LEU 23 9.445 -0.248 -2.704 194 3HD2 LEU 23 3HD2 LEU 23 9.685 -0.007 -0.970 195 H ALA 24 H ALA 24 14.604 0.733 -4.680 196 HA ALA 24 HA ALA 24 14.454 -1.912 -5.726 197 1HB ALA 24 1HB ALA 24 14.434 -0.334 -7.423 198 2HB ALA 24 2HB ALA 24 16.110 -0.878 -7.457 199 3HB ALA 24 3HB ALA 24 15.694 0.642 -6.670 200 H GLY 25 H GLY 25 16.830 0.032 -4.039 201 1HA GLY 25 1HA GLY 25 19.094 -1.601 -4.481 202 2HA GLY 25 2HA GLY 25 18.865 -0.511 -3.117 203 H ALA 26 H ALA 26 16.335 -1.916 -2.395 204 HA ALA 26 HA ALA 26 17.505 -3.868 -0.667 205 1HB ALA 26 1HB ALA 26 15.785 -2.612 0.314 206 2HB ALA 26 2HB ALA 26 15.074 -4.202 0.032 207 3HB ALA 26 3HB ALA 26 14.704 -2.863 -1.056 208 H GLY 27 H GLY 27 16.200 -3.902 -3.806 209 1HA GLY 27 1HA GLY 27 16.443 -5.791 -5.208 210 2HA GLY 27 2HA GLY 27 16.326 -6.821 -3.798 211 H LEU 28 H LEU 28 13.911 -4.284 -4.307 212 HA LEU 28 HA LEU 28 12.083 -6.428 -5.108 213 1HB LEU 28 1HB LEU 28 10.969 -4.088 -3.690 214 2HB LEU 28 2HB LEU 28 10.448 -5.762 -3.679 215 HG LEU 28 HG LEU 28 12.770 -6.036 -2.380 216 1HD1 LEU 28 1HD1 LEU 28 13.675 -4.044 -2.057 217 2HD1 LEU 28 2HD1 LEU 28 12.507 -3.937 -0.739 218 3HD1 LEU 28 3HD1 LEU 28 12.150 -3.203 -2.300 219 1HD2 LEU 28 1HD2 LEU 28 11.440 -6.645 -0.694 220 2HD2 LEU 28 2HD2 LEU 28 10.110 -6.206 -1.765 221 3HD2 LEU 28 3HD2 LEU 28 10.708 -5.044 -0.581 222 H THR 29 H THR 29 10.074 -5.685 -6.181 223 HA THR 29 HA THR 29 10.761 -3.731 -8.243 224 HB THR 29 HB THR 29 8.623 -5.857 -8.051 225 HG1 THR 29 HG1 THR 29 10.716 -5.491 -9.923 226 1HG2 THR 29 1HG2 THR 29 7.368 -4.702 -9.466 227 2HG2 THR 29 2HG2 THR 29 8.631 -4.994 -10.662 228 3HG2 THR 29 3HG2 THR 29 8.629 -3.497 -9.730 229 H CYS 30 H CYS 30 10.197 -1.710 -7.839 230 HA CYS 30 HA CYS 30 7.798 -1.155 -6.245 231 1HB CYS 30 1HB CYS 30 9.674 1.004 -7.033 232 2HB CYS 30 2HB CYS 30 8.786 0.777 -5.532 233 HG CYS 30 HG CYS 30 11.530 0.328 -5.518 234 H THR 31 H THR 31 6.002 -0.600 -7.259 235 HA THR 31 HA THR 31 6.178 1.051 -9.685 236 HB THR 31 HB THR 31 5.532 -1.424 -10.118 237 HG1 THR 31 HG1 THR 31 5.151 0.345 -11.577 238 1HG2 THR 31 1HG2 THR 31 3.594 -2.280 -9.448 239 2HG2 THR 31 2HG2 THR 31 2.742 -0.755 -9.632 240 3HG2 THR 31 3HG2 THR 31 3.678 -1.064 -8.173 241 H THR 32 H THR 32 4.803 2.801 -9.664 242 HA THR 32 HA THR 32 3.130 3.027 -7.266 243 HB THR 32 HB THR 32 3.484 5.488 -7.483 244 HG1 THR 32 HG1 THR 32 4.213 6.048 -9.371 245 1HG2 THR 32 1HG2 THR 32 5.536 5.519 -6.424 246 2HG2 THR 32 2HG2 THR 32 6.169 4.183 -7.386 247 3HG2 THR 32 3HG2 THR 32 4.980 3.870 -6.121 248 H PHE 33 H PHE 33 1.234 4.325 -7.347 249 HA PHE 33 HA PHE 33 0.030 4.626 -9.994 250 1HB PHE 33 1HB PHE 33 -1.445 3.378 -7.683 251 2HB PHE 33 2HB PHE 33 -2.015 3.583 -9.322 252 HD1 PHE 33 HD1 PHE 33 0.863 2.050 -7.525 253 HD2 PHE 33 HD2 PHE 33 -1.991 1.719 -10.663 254 HE1 PHE 33 HE1 PHE 33 1.733 -0.177 -8.074 255 HE2 PHE 33 HE2 PHE 33 -1.129 -0.513 -11.219 256 HZ PHE 33 HZ PHE 33 0.734 -1.468 -9.925 257 H GLU 34 H GLU 34 -2.197 5.793 -9.724 258 HA GLU 34 HA GLU 34 -1.638 8.369 -8.856 259 1HB GLU 34 1HB GLU 34 -4.063 8.795 -9.286 260 2HB GLU 34 2HB GLU 34 -3.201 8.010 -10.603 261 1HG GLU 34 1HG GLU 34 -4.937 6.609 -10.624 262 2HG GLU 34 2HG GLU 34 -4.138 5.863 -9.244 263 H ASN 35 H ASN 35 -4.079 6.173 -7.313 264 HA ASN 35 HA ASN 35 -3.364 7.293 -4.766 265 1HB ASN 35 1HB ASN 35 -5.054 8.866 -5.949 266 2HB ASN 35 2HB ASN 35 -6.241 7.641 -5.509 267 1HD2 ASN 35 1HD2 ASN 35 -6.533 7.155 -3.286 268 2HD2 ASN 35 2HD2 ASN 35 -6.164 8.326 -2.075 269 H GLY 36 H GLY 36 -5.101 4.958 -6.615 270 1HA GLY 36 1HA GLY 36 -4.826 2.890 -4.855 271 2HA GLY 36 2HA GLY 36 -6.321 3.667 -4.366 272 H ASN 37 H ASN 37 -7.702 4.240 -6.476 273 HA ASN 37 HA ASN 37 -8.808 1.913 -7.376 274 1HB ASN 37 1HB ASN 37 -9.044 4.696 -8.026 275 2HB ASN 37 2HB ASN 37 -9.151 3.730 -9.495 276 1HD2 ASN 37 1HD2 ASN 37 -10.163 2.887 -6.223 277 2HD2 ASN 37 2HD2 ASN 37 -11.841 2.704 -6.596 278 H GLU 38 H GLU 38 -6.059 3.615 -8.643 279 HA GLU 38 HA GLU 38 -5.830 2.310 -11.112 280 1HB GLU 38 1HB GLU 38 -4.340 4.172 -9.614 281 2HB GLU 38 2HB GLU 38 -3.248 2.857 -9.997 282 1HG GLU 38 1HG GLU 38 -4.873 3.721 -12.257 283 2HG GLU 38 2HG GLU 38 -3.809 4.974 -11.621 284 H VAL 39 H VAL 39 -3.989 1.627 -8.081 285 HA VAL 39 HA VAL 39 -2.815 -0.734 -8.984 286 HB VAL 39 HB VAL 39 -3.708 -0.625 -6.138 287 1HG1 VAL 39 1HG1 VAL 39 -2.256 -2.311 -6.093 288 2HG1 VAL 39 2HG1 VAL 39 -0.976 -1.129 -6.347 289 3HG1 VAL 39 3HG1 VAL 39 -1.698 -1.962 -7.724 290 1HG2 VAL 39 1HG2 VAL 39 -1.384 0.773 -6.080 291 2HG2 VAL 39 2HG2 VAL 39 -2.997 1.478 -5.963 292 3HG2 VAL 39 3HG2 VAL 39 -2.163 1.435 -7.512 293 H LEU 40 H LEU 40 -6.051 -0.225 -7.687 294 HA LEU 40 HA LEU 40 -6.831 -2.796 -7.101 295 1HB LEU 40 1HB LEU 40 -8.536 -0.798 -8.590 296 2HB LEU 40 2HB LEU 40 -9.106 -2.138 -7.616 297 HG LEU 40 HG LEU 40 -7.773 0.385 -6.649 298 1HD1 LEU 40 1HD1 LEU 40 -10.517 -0.795 -6.407 299 2HD1 LEU 40 2HD1 LEU 40 -10.050 0.790 -7.008 300 3HD1 LEU 40 3HD1 LEU 40 -9.927 0.433 -5.285 301 1HD2 LEU 40 1HD2 LEU 40 -7.783 -2.240 -5.449 302 2HD2 LEU 40 2HD2 LEU 40 -8.646 -1.074 -4.445 303 3HD2 LEU 40 3HD2 LEU 40 -6.975 -0.764 -4.920 304 H ALA 41 H ALA 41 -7.006 -1.207 -10.277 305 HA ALA 41 HA ALA 41 -7.932 -3.419 -11.725 306 1HB ALA 41 1HB ALA 41 -7.709 -0.914 -12.393 307 2HB ALA 41 2HB ALA 41 -7.566 -2.163 -13.630 308 3HB ALA 41 3HB ALA 41 -6.116 -1.407 -12.966 309 H ALA 42 H ALA 42 -4.675 -2.223 -11.208 310 HA ALA 42 HA ALA 42 -3.335 -4.176 -12.725 311 1HB ALA 42 1HB ALA 42 -2.620 -1.999 -10.958 312 2HB ALA 42 2HB ALA 42 -1.767 -2.640 -12.361 313 3HB ALA 42 3HB ALA 42 -1.534 -3.377 -10.776 314 H LEU 43 H LEU 43 -4.347 -4.097 -9.363 315 HA LEU 43 HA LEU 43 -2.858 -6.345 -8.505 316 1HB LEU 43 1HB LEU 43 -5.231 -4.868 -7.432 317 2HB LEU 43 2HB LEU 43 -4.712 -6.366 -6.683 318 HG LEU 43 HG LEU 43 -2.820 -4.065 -7.077 319 1HD1 LEU 43 1HD1 LEU 43 -5.082 -3.834 -5.568 320 2HD1 LEU 43 2HD1 LEU 43 -3.581 -2.959 -5.281 321 3HD1 LEU 43 3HD1 LEU 43 -3.917 -4.442 -4.392 322 1HD2 LEU 43 1HD2 LEU 43 -2.797 -6.695 -5.737 323 2HD2 LEU 43 2HD2 LEU 43 -2.025 -5.366 -4.870 324 3HD2 LEU 43 3HD2 LEU 43 -1.484 -5.794 -6.493 325 H ALA 44 H ALA 44 -5.727 -6.053 -10.350 326 HA ALA 44 HA ALA 44 -6.948 -8.506 -9.667 327 1HB ALA 44 1HB ALA 44 -8.444 -7.185 -10.752 328 2HB ALA 44 2HB ALA 44 -7.891 -8.146 -12.122 329 3HB ALA 44 3HB ALA 44 -7.236 -6.531 -11.857 330 H SER 45 H SER 45 -4.081 -7.858 -11.338 331 HA SER 45 HA SER 45 -4.114 -10.536 -12.493 332 1HB SER 45 1HB SER 45 -3.786 -8.070 -13.854 333 2HB SER 45 2HB SER 45 -2.232 -8.903 -13.891 334 HG SER 45 HG SER 45 -4.701 -10.102 -14.613 335 H LYS 46 H LYS 46 -2.707 -8.631 -10.153 336 HA LYS 46 HA LYS 46 -0.559 -10.515 -9.842 337 1HB LYS 46 1HB LYS 46 0.103 -8.393 -11.346 338 2HB LYS 46 2HB LYS 46 0.390 -7.713 -9.750 339 1HG LYS 46 1HG LYS 46 1.621 -10.158 -9.586 340 2HG LYS 46 2HG LYS 46 1.932 -9.670 -11.254 341 1HD LYS 46 1HD LYS 46 2.363 -7.370 -9.748 342 2HD LYS 46 2HD LYS 46 3.076 -8.667 -8.791 343 1HE LYS 46 1HE LYS 46 4.855 -8.610 -10.121 344 2HE LYS 46 2HE LYS 46 3.835 -9.147 -11.454 345 1HZ LYS 46 1HZ LYS 46 4.831 -6.479 -10.834 346 2HZ LYS 46 2HZ LYS 46 3.267 -6.571 -11.472 347 3HZ LYS 46 3HZ LYS 46 4.570 -7.217 -12.335 348 H THR 47 H THR 47 0.615 -10.210 -7.808 349 HA THR 47 HA THR 47 -0.786 -8.586 -5.845 350 HB THR 47 HB THR 47 -0.295 -11.552 -5.670 351 HG1 THR 47 HG1 THR 47 -2.271 -11.012 -6.534 352 1HG2 THR 47 1HG2 THR 47 -1.143 -9.753 -3.416 353 2HG2 THR 47 2HG2 THR 47 0.401 -10.592 -3.539 354 3HG2 THR 47 3HG2 THR 47 -1.095 -11.513 -3.382 355 HA PRO 48 HA PRO 48 3.602 -7.911 -5.035 356 1HB PRO 48 1HB PRO 48 3.321 -5.728 -3.483 357 2HB PRO 48 2HB PRO 48 3.144 -5.650 -5.241 358 1HG PRO 48 1HG PRO 48 1.026 -5.797 -3.129 359 2HG PRO 48 2HG PRO 48 1.094 -4.771 -4.574 360 1HD PRO 48 1HD PRO 48 -0.361 -7.061 -4.457 361 2HD PRO 48 2HD PRO 48 0.358 -6.451 -5.957 362 H ASP 49 H ASP 49 4.938 -7.837 -3.070 363 HA ASP 49 HA ASP 49 3.860 -9.587 -1.039 364 1HB ASP 49 1HB ASP 49 6.606 -8.332 -1.258 365 2HB ASP 49 2HB ASP 49 6.146 -9.620 -0.151 366 H VAL 50 H VAL 50 4.465 -6.223 -1.467 367 HA VAL 50 HA VAL 50 3.331 -5.649 1.147 368 HB VAL 50 HB VAL 50 5.720 -5.713 1.618 369 1HG1 VAL 50 1HG1 VAL 50 7.338 -4.820 0.326 370 2HG1 VAL 50 2HG1 VAL 50 6.360 -3.424 -0.129 371 3HG1 VAL 50 3HG1 VAL 50 6.107 -4.976 -0.930 372 1HG2 VAL 50 1HG2 VAL 50 4.765 -4.115 2.973 373 2HG2 VAL 50 2HG2 VAL 50 4.343 -3.066 1.621 374 3HG2 VAL 50 3HG2 VAL 50 6.016 -3.177 2.160 375 H LEU 51 H LEU 51 1.546 -4.792 0.023 376 HA LEU 51 HA LEU 51 1.966 -2.742 -1.976 377 1HB LEU 51 1HB LEU 51 0.130 -4.253 -2.321 378 2HB LEU 51 2HB LEU 51 -0.536 -3.880 -0.744 379 HG LEU 51 HG LEU 51 -0.961 -1.554 -1.517 380 1HD1 LEU 51 1HD1 LEU 51 -0.478 -2.508 -4.304 381 2HD1 LEU 51 2HD1 LEU 51 0.830 -1.801 -3.354 382 3HD1 LEU 51 3HD1 LEU 51 -0.619 -0.854 -3.694 383 1HD2 LEU 51 1HD2 LEU 51 -2.408 -3.048 -3.555 384 2HD2 LEU 51 2HD2 LEU 51 -3.009 -2.185 -2.139 385 3HD2 LEU 51 3HD2 LEU 51 -2.423 -3.837 -1.979 386 H LEU 52 H LEU 52 1.281 -0.615 -1.858 387 HA LEU 52 HA LEU 52 0.665 0.458 0.803 388 1HB LEU 52 1HB LEU 52 2.814 1.323 -1.110 389 2HB LEU 52 2HB LEU 52 2.150 2.441 0.060 390 HG LEU 52 HG LEU 52 3.161 -0.142 1.096 391 1HD1 LEU 52 1HD1 LEU 52 5.141 0.059 0.071 392 2HD1 LEU 52 2HD1 LEU 52 5.419 1.416 1.162 393 3HD1 LEU 52 3HD1 LEU 52 4.803 1.704 -0.466 394 1HD2 LEU 52 1HD2 LEU 52 3.967 2.402 2.279 395 2HD2 LEU 52 2HD2 LEU 52 3.243 0.983 3.032 396 3HD2 LEU 52 3HD2 LEU 52 2.220 2.163 2.204 397 H SER 53 H SER 53 -1.325 1.401 0.575 398 HA SER 53 HA SER 53 -1.981 2.626 -2.018 399 1HB SER 53 1HB SER 53 -3.507 1.012 -0.111 400 2HB SER 53 2HB SER 53 -4.376 2.428 -0.703 401 HG SER 53 HG SER 53 -3.118 0.451 -2.301 402 H ASP 54 H ASP 54 -2.856 4.647 -2.200 403 HA ASP 54 HA ASP 54 -2.202 6.526 -0.144 404 1HB ASP 54 1HB ASP 54 -2.394 6.788 -2.815 405 2HB ASP 54 2HB ASP 54 -4.006 7.319 -2.370 406 H ILE 55 H ILE 55 -4.211 8.323 -0.044 407 HA ILE 55 HA ILE 55 -6.761 7.183 0.359 408 HB ILE 55 HB ILE 55 -5.757 6.140 2.230 409 1HG1 ILE 55 1HG1 ILE 55 -7.306 8.551 3.200 410 2HG1 ILE 55 2HG1 ILE 55 -8.010 7.044 2.625 411 1HG2 ILE 55 1HG2 ILE 55 -3.803 7.170 2.746 412 2HG2 ILE 55 2HG2 ILE 55 -4.816 7.755 4.062 413 3HG2 ILE 55 3HG2 ILE 55 -4.501 8.786 2.669 414 1HD1 ILE 55 1HD1 ILE 55 -6.263 6.255 4.604 415 2HD1 ILE 55 2HD1 ILE 55 -8.009 6.375 4.727 416 3HD1 ILE 55 3HD1 ILE 55 -7.002 7.725 5.234 417 H ARG 56 H ARG 56 -7.223 9.032 -0.909 418 HA ARG 56 HA ARG 56 -8.358 11.184 0.322 419 1HB ARG 56 1HB ARG 56 -5.954 11.691 0.993 420 2HB ARG 56 2HB ARG 56 -5.642 12.017 -0.702 421 1HG ARG 56 1HG ARG 56 -7.963 13.448 0.283 422 2HG ARG 56 2HG ARG 56 -6.498 13.827 1.190 423 1HD ARG 56 1HD ARG 56 -5.858 15.171 -0.455 424 2HD ARG 56 2HD ARG 56 -5.784 13.782 -1.539 425 HE ARG 56 HE ARG 56 -7.621 14.621 -2.578 426 1HH1 ARG 56 1HH1 ARG 56 -7.648 15.763 0.724 427 2HH1 ARG 56 2HH1 ARG 56 -9.081 16.711 0.512 428 1HH2 ARG 56 1HH2 ARG 56 -9.499 15.871 -2.854 429 2HH2 ARG 56 2HH2 ARG 56 -10.130 16.776 -1.518 430 H MET 57 H MET 57 -9.324 9.875 -1.672 431 HA MET 57 HA MET 57 -9.414 11.767 -3.842 432 1HB MET 57 1HB MET 57 -7.858 9.269 -4.056 433 2HB MET 57 2HB MET 57 -8.922 9.618 -5.410 434 1HG MET 57 1HG MET 57 -7.305 11.887 -4.512 435 2HG MET 57 2HG MET 57 -6.383 10.528 -5.146 436 1HE MET 57 1HE MET 57 -6.466 13.517 -7.246 437 2HE MET 57 2HE MET 57 -7.266 13.576 -5.675 438 3HE MET 57 3HE MET 57 -8.193 13.855 -7.148 439 HA PRO 58 HA PRO 58 -12.531 8.177 -4.924 440 1HB PRO 58 1HB PRO 58 -12.731 6.213 -3.007 441 2HB PRO 58 2HB PRO 58 -11.756 6.085 -4.474 442 1HG PRO 58 1HG PRO 58 -10.918 6.864 -1.704 443 2HG PRO 58 2HG PRO 58 -10.116 5.770 -2.853 444 1HD PRO 58 1HD PRO 58 -9.236 8.258 -2.526 445 2HD PRO 58 2HD PRO 58 -9.295 7.531 -4.145 446 H GLY 59 H GLY 59 -14.553 7.177 -3.657 447 1HA GLY 59 1HA GLY 59 -15.967 9.317 -2.580 448 2HA GLY 59 2HA GLY 59 -16.428 7.630 -2.416 449 H MET 60 H MET 60 -15.047 6.420 -0.715 450 HA MET 60 HA MET 60 -15.435 7.765 1.774 451 1HB MET 60 1HB MET 60 -15.103 5.093 0.905 452 2HB MET 60 2HB MET 60 -13.813 5.405 2.057 453 1HG MET 60 1HG MET 60 -15.411 6.069 3.732 454 2HG MET 60 2HG MET 60 -16.733 5.910 2.578 455 1HE MET 60 1HE MET 60 -18.207 3.078 2.990 456 2HE MET 60 2HE MET 60 -17.125 2.470 1.736 457 3HE MET 60 3HE MET 60 -17.654 4.152 1.703 458 H ASP 61 H ASP 61 -13.877 9.470 0.665 459 HA ASP 61 HA ASP 61 -11.974 10.682 0.792 460 1HB ASP 61 1HB ASP 61 -12.191 9.293 3.313 461 2HB ASP 61 2HB ASP 61 -10.497 9.491 2.866 462 H GLY 62 H GLY 62 -10.629 7.661 2.012 463 1HA GLY 62 1HA GLY 62 -9.287 7.213 -0.541 464 2HA GLY 62 2HA GLY 62 -8.285 7.481 0.869 465 H LEU 63 H LEU 63 -10.211 6.049 2.635 466 HA LEU 63 HA LEU 63 -9.059 3.499 2.447 467 1HB LEU 63 1HB LEU 63 -11.604 4.192 3.901 468 2HB LEU 63 2HB LEU 63 -10.555 2.823 4.212 469 HG LEU 63 HG LEU 63 -8.789 4.777 4.632 470 1HD1 LEU 63 1HD1 LEU 63 -10.702 6.246 6.097 471 2HD1 LEU 63 2HD1 LEU 63 -11.276 6.154 4.433 472 3HD1 LEU 63 3HD1 LEU 63 -9.678 6.809 4.781 473 1HD2 LEU 63 1HD2 LEU 63 -9.220 4.521 7.003 474 2HD2 LEU 63 2HD2 LEU 63 -9.421 2.975 6.178 475 3HD2 LEU 63 3HD2 LEU 63 -10.837 3.899 6.662 476 H ALA 64 H ALA 64 -11.735 4.904 0.830 477 HA ALA 64 HA ALA 64 -13.409 2.736 0.379 478 1HB ALA 64 1HB ALA 64 -13.559 5.233 -0.376 479 2HB ALA 64 2HB ALA 64 -14.360 3.975 -1.319 480 3HB ALA 64 3HB ALA 64 -12.810 4.628 -1.852 481 H LEU 65 H LEU 65 -10.207 3.299 -0.772 482 HA LEU 65 HA LEU 65 -10.281 1.591 -3.046 483 1HB LEU 65 1HB LEU 65 -7.833 2.196 -1.405 484 2HB LEU 65 2HB LEU 65 -7.929 1.833 -3.118 485 HG LEU 65 HG LEU 65 -9.225 4.307 -2.037 486 1HD1 LEU 65 1HD1 LEU 65 -7.197 4.917 -1.262 487 2HD1 LEU 65 2HD1 LEU 65 -6.899 5.271 -2.963 488 3HD1 LEU 65 3HD1 LEU 65 -6.339 3.751 -2.268 489 1HD2 LEU 65 1HD2 LEU 65 -8.157 3.406 -4.690 490 2HD2 LEU 65 2HD2 LEU 65 -8.567 5.086 -4.354 491 3HD2 LEU 65 3HD2 LEU 65 -9.810 3.837 -4.270 492 H LEU 66 H LEU 66 -9.440 1.160 0.355 493 HA LEU 66 HA LEU 66 -8.430 -1.434 0.256 494 1HB LEU 66 1HB LEU 66 -9.947 0.055 2.379 495 2HB LEU 66 2HB LEU 66 -9.346 -1.572 2.640 496 HG LEU 66 HG LEU 66 -7.047 -0.554 1.925 497 1HD1 LEU 66 1HD1 LEU 66 -7.698 1.589 1.203 498 2HD1 LEU 66 2HD1 LEU 66 -6.912 1.827 2.762 499 3HD1 LEU 66 3HD1 LEU 66 -8.669 1.860 2.647 500 1HD2 LEU 66 1HD2 LEU 66 -8.447 -0.260 4.554 501 2HD2 LEU 66 2HD2 LEU 66 -6.782 0.286 4.348 502 3HD2 LEU 66 3HD2 LEU 66 -7.194 -1.405 4.075 503 H LYS 67 H LYS 67 -11.725 -0.245 0.496 504 HA LYS 67 HA LYS 67 -13.096 -2.625 0.914 505 1HB LYS 67 1HB LYS 67 -14.029 -0.383 -0.886 506 2HB LYS 67 2HB LYS 67 -15.035 -1.534 -0.019 507 1HG LYS 67 1HG LYS 67 -13.200 0.178 1.566 508 2HG LYS 67 2HG LYS 67 -14.642 0.917 0.869 509 1HD LYS 67 1HD LYS 67 -14.986 -1.665 2.281 510 2HD LYS 67 2HD LYS 67 -14.632 -0.246 3.270 511 1HE LYS 67 1HE LYS 67 -16.615 0.763 2.777 512 2HE LYS 67 2HE LYS 67 -16.718 0.024 1.179 513 1HZ LYS 67 1HZ LYS 67 -17.098 -1.490 3.700 514 2HZ LYS 67 2HZ LYS 67 -17.431 -2.011 2.126 515 3HZ LYS 67 3HZ LYS 67 -18.374 -0.797 2.830 516 H GLN 68 H GLN 68 -12.282 -1.075 -2.186 517 HA GLN 68 HA GLN 68 -13.180 -3.235 -3.801 518 1HB GLN 68 1HB GLN 68 -11.091 -1.258 -4.661 519 2HB GLN 68 2HB GLN 68 -12.326 -2.034 -5.639 520 1HG GLN 68 1HG GLN 68 -13.140 -0.170 -3.458 521 2HG GLN 68 2HG GLN 68 -12.528 0.477 -4.976 522 1HE2 GLN 68 1HE2 GLN 68 -15.186 -0.846 -3.343 523 2HE2 GLN 68 2HE2 GLN 68 -16.278 -0.920 -4.679 524 H ILE 69 H ILE 69 -10.227 -2.428 -2.202 525 HA ILE 69 HA ILE 69 -8.326 -3.932 -3.519 526 HB ILE 69 HB ILE 69 -8.700 -2.857 -0.807 527 1HG1 ILE 69 1HG1 ILE 69 -7.654 -1.536 -2.540 528 2HG1 ILE 69 2HG1 ILE 69 -6.502 -1.860 -1.247 529 1HG2 ILE 69 1HG2 ILE 69 -7.455 -4.204 0.414 530 2HG2 ILE 69 2HG2 ILE 69 -6.213 -4.303 -0.826 531 3HG2 ILE 69 3HG2 ILE 69 -7.602 -5.378 -0.888 532 1HD1 ILE 69 1HD1 ILE 69 -5.120 -2.952 -2.609 533 2HD1 ILE 69 2HD1 ILE 69 -6.027 -2.171 -3.903 534 3HD1 ILE 69 3HD1 ILE 69 -6.431 -3.813 -3.413 535 H LYS 70 H LYS 70 -10.346 -4.918 -0.806 536 HA LYS 70 HA LYS 70 -9.447 -7.600 -0.796 537 1HB LYS 70 1HB LYS 70 -11.276 -8.030 0.757 538 2HB LYS 70 2HB LYS 70 -10.422 -6.554 1.175 539 1HG LYS 70 1HG LYS 70 -12.246 -5.306 0.953 540 2HG LYS 70 2HG LYS 70 -12.670 -6.057 -0.586 541 1HD LYS 70 1HD LYS 70 -13.973 -7.666 0.402 542 2HD LYS 70 2HD LYS 70 -13.067 -7.618 1.916 543 1HE LYS 70 1HE LYS 70 -14.769 -6.418 2.722 544 2HE LYS 70 2HE LYS 70 -14.137 -5.089 1.753 545 1HZ LYS 70 1HZ LYS 70 -16.322 -5.198 1.088 546 2HZ LYS 70 2HZ LYS 70 -16.397 -6.885 1.183 547 3HZ LYS 70 3HZ LYS 70 -15.573 -6.146 -0.096 548 H GLN 71 H GLN 71 -11.999 -5.940 -2.447 549 HA GLN 71 HA GLN 71 -13.322 -8.324 -3.310 550 1HB GLN 71 1HB GLN 71 -14.767 -6.521 -3.117 551 2HB GLN 71 2HB GLN 71 -13.612 -5.396 -3.807 552 1HG GLN 71 1HG GLN 71 -14.373 -7.374 -5.756 553 2HG GLN 71 2HG GLN 71 -15.793 -6.594 -5.068 554 1HE2 GLN 71 1HE2 GLN 71 -12.668 -5.049 -5.344 555 2HE2 GLN 71 2HE2 GLN 71 -13.134 -3.893 -6.541 556 H ARG 72 H ARG 72 -10.713 -6.382 -4.418 557 HA ARG 72 HA ARG 72 -10.809 -7.342 -7.139 558 1HB ARG 72 1HB ARG 72 -8.893 -5.581 -5.640 559 2HB ARG 72 2HB ARG 72 -8.607 -6.088 -7.299 560 1HG ARG 72 1HG ARG 72 -11.249 -4.919 -6.800 561 2HG ARG 72 2HG ARG 72 -9.888 -3.820 -6.581 562 1HD ARG 72 1HD ARG 72 -9.204 -4.032 -8.790 563 2HD ARG 72 2HD ARG 72 -10.076 -5.546 -9.017 564 HE ARG 72 HE ARG 72 -11.958 -3.563 -8.499 565 1HH1 ARG 72 1HH1 ARG 72 -9.615 -4.358 -10.959 566 2HH1 ARG 72 2HH1 ARG 72 -10.510 -3.601 -12.233 567 1HH2 ARG 72 1HH2 ARG 72 -13.137 -2.565 -10.175 568 2HH2 ARG 72 2HH2 ARG 72 -12.506 -2.580 -11.788 569 H HIS 73 H HIS 73 -8.095 -7.304 -4.901 570 HA HIS 73 HA HIS 73 -7.055 -9.746 -6.089 571 1HB HIS 73 1HB HIS 73 -5.099 -9.255 -4.556 572 2HB HIS 73 2HB HIS 73 -5.450 -8.020 -5.763 573 HD1 HIS 73 HD1 HIS 73 -6.436 -8.712 -2.167 574 HD2 HIS 73 HD2 HIS 73 -5.462 -5.561 -4.661 575 HE1 HIS 73 HE1 HIS 73 -6.233 -6.716 -0.667 576 HE2 HIS 73 HE2 HIS 73 -5.339 -4.911 -2.168 577 HA PRO 74 HA PRO 74 -8.060 -12.505 -2.791 578 1HB PRO 74 1HB PRO 74 -5.930 -14.129 -2.625 579 2HB PRO 74 2HB PRO 74 -6.966 -14.099 -4.057 580 1HG PRO 74 1HG PRO 74 -4.309 -12.796 -3.613 581 2HG PRO 74 2HG PRO 74 -4.906 -13.664 -5.039 582 1HD PRO 74 1HD PRO 74 -4.871 -10.939 -4.824 583 2HD PRO 74 2HD PRO 74 -6.016 -11.830 -5.842 584 H MET 75 H MET 75 -7.861 -10.524 -1.317 585 HA MET 75 HA MET 75 -7.257 -9.573 0.640 586 1HB MET 75 1HB MET 75 -7.022 -11.016 2.442 587 2HB MET 75 2HB MET 75 -7.888 -11.978 1.263 588 1HG MET 75 1HG MET 75 -5.041 -12.341 0.994 589 2HG MET 75 2HG MET 75 -5.569 -12.651 2.643 590 1HE MET 75 1HE MET 75 -7.645 -15.770 2.508 591 2HE MET 75 2HE MET 75 -7.875 -14.109 3.055 592 3HE MET 75 3HE MET 75 -6.353 -14.942 3.377 593 H LEU 76 H LEU 76 -5.299 -9.361 -1.428 594 HA LEU 76 HA LEU 76 -2.685 -9.825 -0.509 595 1HB LEU 76 1HB LEU 76 -2.927 -9.431 -2.801 596 2HB LEU 76 2HB LEU 76 -3.944 -8.036 -2.550 597 HG LEU 76 HG LEU 76 -1.504 -7.806 -3.445 598 1HD1 LEU 76 1HD1 LEU 76 -1.655 -5.562 -2.961 599 2HD1 LEU 76 2HD1 LEU 76 -2.336 -5.852 -1.357 600 3HD1 LEU 76 3HD1 LEU 76 -3.325 -6.118 -2.797 601 1HD2 LEU 76 1HD2 LEU 76 0.195 -7.540 -1.912 602 2HD2 LEU 76 2HD2 LEU 76 -0.660 -8.946 -1.286 603 3HD2 LEU 76 3HD2 LEU 76 -0.909 -7.361 -0.554 604 HA PRO 77 HA PRO 77 -2.666 -6.938 2.930 605 1HB PRO 77 1HB PRO 77 0.117 -6.763 3.047 606 2HB PRO 77 2HB PRO 77 -0.883 -7.942 3.899 607 1HG PRO 77 1HG PRO 77 0.604 -8.224 1.323 608 2HG PRO 77 2HG PRO 77 0.397 -9.400 2.636 609 1HD PRO 77 1HD PRO 77 -1.012 -9.619 0.390 610 2HD PRO 77 2HD PRO 77 -1.766 -9.952 1.963 611 H VAL 78 H VAL 78 -2.835 -4.818 2.971 612 HA VAL 78 HA VAL 78 -1.349 -3.207 0.996 613 HB VAL 78 HB VAL 78 -4.021 -2.370 2.077 614 1HG1 VAL 78 1HG1 VAL 78 -2.353 -1.637 -0.305 615 2HG1 VAL 78 2HG1 VAL 78 -2.884 -0.606 1.021 616 3HG1 VAL 78 3HG1 VAL 78 -4.051 -1.188 -0.168 617 1HG2 VAL 78 1HG2 VAL 78 -5.185 -3.379 0.290 618 2HG2 VAL 78 2HG2 VAL 78 -4.190 -4.647 1.003 619 3HG2 VAL 78 3HG2 VAL 78 -3.694 -3.879 -0.505 620 H ILE 79 H ILE 79 -0.812 -1.063 1.619 621 HA ILE 79 HA ILE 79 -0.964 -0.499 4.504 622 HB ILE 79 HB ILE 79 1.470 0.188 2.889 623 1HG1 ILE 79 1HG1 ILE 79 1.566 -2.088 4.800 624 2HG1 ILE 79 2HG1 ILE 79 0.863 -2.388 3.212 625 1HG2 ILE 79 1HG2 ILE 79 2.400 0.884 4.846 626 2HG2 ILE 79 2HG2 ILE 79 1.486 -0.271 5.817 627 3HG2 ILE 79 3HG2 ILE 79 0.702 1.190 5.215 628 1HD1 ILE 79 1HD1 ILE 79 2.913 -1.591 2.159 629 2HD1 ILE 79 2HD1 ILE 79 3.215 -2.943 3.252 630 3HD1 ILE 79 3HD1 ILE 79 3.613 -1.300 3.750 631 H ILE 80 H ILE 80 -2.038 1.367 4.761 632 HA ILE 80 HA ILE 80 -2.071 3.250 2.544 633 HB ILE 80 HB ILE 80 -3.654 3.556 5.078 634 1HG1 ILE 80 1HG1 ILE 80 -4.140 1.318 4.242 635 2HG1 ILE 80 2HG1 ILE 80 -5.503 2.379 3.909 636 1HG2 ILE 80 1HG2 ILE 80 -3.499 4.903 2.503 637 2HG2 ILE 80 2HG2 ILE 80 -4.204 5.445 4.024 638 3HG2 ILE 80 3HG2 ILE 80 -5.142 4.430 2.933 639 1HD1 ILE 80 1HD1 ILE 80 -3.390 1.604 1.916 640 2HD1 ILE 80 2HD1 ILE 80 -4.815 2.594 1.603 641 3HD1 ILE 80 3HD1 ILE 80 -5.000 0.894 2.036 642 H MET 81 H MET 81 -1.634 5.460 2.760 643 HA MET 81 HA MET 81 0.521 5.985 4.610 644 1HB MET 81 1HB MET 81 0.251 8.320 3.214 645 2HB MET 81 2HB MET 81 1.306 6.989 2.783 646 1HG MET 81 1HG MET 81 -1.436 6.736 1.781 647 2HG MET 81 2HG MET 81 -0.545 8.117 1.157 648 1HE MET 81 1HE MET 81 -0.406 4.237 1.727 649 2HE MET 81 2HE MET 81 1.194 4.739 2.263 650 3HE MET 81 3HE MET 81 1.017 3.786 0.792 651 H THR 82 H THR 82 -2.830 6.746 4.440 652 HA THR 82 HA THR 82 -2.544 8.378 6.844 653 HB THR 82 HB THR 82 -4.292 9.411 4.629 654 HG1 THR 82 HG1 THR 82 -2.410 9.647 3.645 655 1HG2 THR 82 1HG2 THR 82 -3.452 10.345 7.265 656 2HG2 THR 82 2HG2 THR 82 -4.874 10.758 6.307 657 3HG2 THR 82 3HG2 THR 82 -3.330 11.548 5.981 658 H ALA 83 H ALA 83 -4.809 8.936 7.738 659 HA ALA 83 HA ALA 83 -6.620 6.669 7.224 660 1HB ALA 83 1HB ALA 83 -6.622 6.080 9.357 661 2HB ALA 83 2HB ALA 83 -6.879 7.739 9.897 662 3HB ALA 83 3HB ALA 83 -5.245 7.158 9.575 663 H HIS 84 H HIS 84 -6.273 10.074 7.585 664 HA HIS 84 HA HIS 84 -7.717 11.824 7.618 665 1HB HIS 84 1HB HIS 84 -8.731 9.922 5.565 666 2HB HIS 84 2HB HIS 84 -9.660 11.380 5.901 667 HD1 HIS 84 HD1 HIS 84 -6.976 13.096 6.437 668 HD2 HIS 84 HD2 HIS 84 -7.913 10.871 3.059 669 HE1 HIS 84 HE1 HIS 84 -5.562 14.049 4.599 670 HE2 HIS 84 HE2 HIS 84 -6.026 12.582 2.608 671 H SER 85 H SER 85 -8.255 9.843 9.702 672 HA SER 85 HA SER 85 -9.732 9.584 11.400 673 1HB SER 85 1HB SER 85 -11.198 11.789 9.952 674 2HB SER 85 2HB SER 85 -11.693 11.146 11.516 675 HG SER 85 HG SER 85 -9.183 11.668 11.827 676 H ASP 86 H ASP 86 -10.489 8.723 8.266 677 HA ASP 86 HA ASP 86 -13.119 7.664 8.949 678 1HB ASP 86 1HB ASP 86 -11.756 8.354 6.477 679 2HB ASP 86 2HB ASP 86 -12.457 6.741 6.398 680 H LEU 87 H LEU 87 -10.989 6.650 10.418 681 HA LEU 87 HA LEU 87 -9.726 4.363 9.626 682 1HB LEU 87 1HB LEU 87 -10.151 5.694 12.012 683 2HB LEU 87 2HB LEU 87 -10.835 4.108 12.306 684 HG LEU 87 HG LEU 87 -8.463 4.337 13.010 685 1HD1 LEU 87 1HD1 LEU 87 -8.259 2.343 10.880 686 2HD1 LEU 87 2HD1 LEU 87 -9.706 2.209 11.880 687 3HD1 LEU 87 3HD1 LEU 87 -8.108 2.164 12.627 688 1HD2 LEU 87 1HD2 LEU 87 -6.708 4.500 11.416 689 2HD2 LEU 87 2HD2 LEU 87 -7.821 5.835 11.115 690 3HD2 LEU 87 3HD2 LEU 87 -7.842 4.416 10.068 691 H ASP 88 H ASP 88 -13.107 4.780 10.068 692 HA ASP 88 HA ASP 88 -14.052 2.337 10.815 693 1HB ASP 88 1HB ASP 88 -15.447 4.329 10.314 694 2HB ASP 88 2HB ASP 88 -15.213 4.027 8.594 695 H ALA 89 H ALA 89 -13.481 3.267 7.399 696 HA ALA 89 HA ALA 89 -13.956 0.674 6.406 697 1HB ALA 89 1HB ALA 89 -13.235 1.476 4.301 698 2HB ALA 89 2HB ALA 89 -12.293 2.764 5.049 699 3HB ALA 89 3HB ALA 89 -14.052 2.820 5.103 700 H ALA 90 H ALA 90 -11.151 2.123 7.820 701 HA ALA 90 HA ALA 90 -9.213 0.365 6.704 702 1HB ALA 90 1HB ALA 90 -7.753 1.109 8.576 703 2HB ALA 90 2HB ALA 90 -9.134 1.987 9.249 704 3HB ALA 90 3HB ALA 90 -8.477 2.447 7.681 705 H VAL 91 H VAL 91 -11.360 0.222 9.467 706 HA VAL 91 HA VAL 91 -10.165 -1.952 10.788 707 HB VAL 91 HB VAL 91 -13.127 -1.452 10.788 708 1HG1 VAL 91 1HG1 VAL 91 -12.904 -3.235 12.146 709 2HG1 VAL 91 2HG1 VAL 91 -12.396 -2.028 13.327 710 3HG1 VAL 91 3HG1 VAL 91 -11.186 -2.943 12.423 711 1HG2 VAL 91 1HG2 VAL 91 -10.941 0.236 11.859 712 2HG2 VAL 91 2HG2 VAL 91 -12.330 -0.034 12.910 713 3HG2 VAL 91 3HG2 VAL 91 -12.557 0.683 11.315 714 H SER 92 H SER 92 -12.709 -1.797 8.332 715 HA SER 92 HA SER 92 -13.271 -4.542 8.206 716 1HB SER 92 1HB SER 92 -14.296 -4.066 6.056 717 2HB SER 92 2HB SER 92 -14.657 -2.739 7.159 718 HG SER 92 HG SER 92 -13.963 -1.699 5.406 719 H ALA 93 H ALA 93 -10.783 -2.562 6.758 720 HA ALA 93 HA ALA 93 -9.829 -4.359 4.856 721 1HB ALA 93 1HB ALA 93 -9.187 -2.005 4.922 722 2HB ALA 93 2HB ALA 93 -7.782 -3.071 4.865 723 3HB ALA 93 3HB ALA 93 -8.254 -2.316 6.388 724 H TYR 94 H TYR 94 -9.077 -3.970 8.249 725 HA TYR 94 HA TYR 94 -6.989 -5.851 8.395 726 1HB TYR 94 1HB TYR 94 -8.951 -5.257 10.614 727 2HB TYR 94 2HB TYR 94 -7.292 -5.817 10.774 728 HD1 TYR 94 HD1 TYR 94 -5.892 -3.987 8.921 729 HD2 TYR 94 HD2 TYR 94 -8.985 -3.215 11.741 730 HE1 TYR 94 HE1 TYR 94 -5.126 -1.658 9.113 731 HE2 TYR 94 HE2 TYR 94 -8.226 -0.883 11.940 732 HH TYR 94 HH TYR 94 -5.620 0.263 11.404 733 H GLN 95 H GLN 95 -10.381 -6.180 8.062 734 HA GLN 95 HA GLN 95 -10.655 -8.789 9.155 735 1HB GLN 95 1HB GLN 95 -12.848 -8.517 8.736 736 2HB GLN 95 2HB GLN 95 -12.416 -6.866 8.330 737 1HG GLN 95 1HG GLN 95 -12.036 -8.044 5.938 738 2HG GLN 95 2HG GLN 95 -13.293 -9.083 6.597 739 1HE2 GLN 95 1HE2 GLN 95 -13.048 -6.867 4.478 740 2HE2 GLN 95 2HE2 GLN 95 -14.433 -5.876 4.783 741 H GLN 96 H GLN 96 -10.113 -7.559 5.877 742 HA GLN 96 HA GLN 96 -10.045 -10.219 4.786 743 1HB GLN 96 1HB GLN 96 -9.602 -9.168 2.662 744 2HB GLN 96 2HB GLN 96 -10.891 -8.290 3.480 745 1HG GLN 96 1HG GLN 96 -8.342 -7.157 4.150 746 2HG GLN 96 2HG GLN 96 -8.526 -7.260 2.399 747 1HE2 GLN 96 1HE2 GLN 96 -8.700 -5.045 2.155 748 2HE2 GLN 96 2HE2 GLN 96 -10.103 -4.165 2.647 749 H GLY 97 H GLY 97 -7.794 -8.076 6.240 750 1HA GLY 97 1HA GLY 97 -5.715 -9.234 6.934 751 2HA GLY 97 2HA GLY 97 -5.594 -9.801 5.278 752 H ALA 98 H ALA 98 -6.414 -6.512 6.361 753 HA ALA 98 HA ALA 98 -4.609 -5.316 4.554 754 1HB ALA 98 1HB ALA 98 -5.519 -3.891 7.019 755 2HB ALA 98 2HB ALA 98 -6.675 -4.310 5.759 756 3HB ALA 98 3HB ALA 98 -5.303 -3.274 5.382 757 H PHE 99 H PHE 99 -2.662 -4.116 5.026 758 HA PHE 99 HA PHE 99 -0.986 -5.530 6.864 759 1HB PHE 99 1HB PHE 99 -0.463 -4.424 4.491 760 2HB PHE 99 2HB PHE 99 0.018 -3.081 5.526 761 HD1 PHE 99 HD1 PHE 99 0.530 -6.733 5.059 762 HD2 PHE 99 HD2 PHE 99 2.124 -3.049 6.478 763 HE1 PHE 99 HE1 PHE 99 2.681 -7.841 5.500 764 HE2 PHE 99 HE2 PHE 99 4.277 -4.152 6.923 765 HZ PHE 99 HZ PHE 99 4.558 -6.552 6.435 766 H ASP 100 H ASP 100 -1.918 -2.097 6.527 767 HA ASP 100 HA ASP 100 -2.409 -1.602 9.197 768 1HB ASP 100 1HB ASP 100 0.318 -2.063 8.886 769 2HB ASP 100 2HB ASP 100 0.192 -0.308 8.909 770 H TYR 101 H TYR 101 -1.324 0.961 9.548 771 HA TYR 101 HA TYR 101 -2.118 2.449 7.166 772 1HB TYR 101 1HB TYR 101 -3.660 2.265 9.665 773 2HB TYR 101 2HB TYR 101 -3.375 3.914 9.114 774 HD1 TYR 101 HD1 TYR 101 -4.815 0.637 8.109 775 HD2 TYR 101 HD2 TYR 101 -4.573 4.810 7.297 776 HE1 TYR 101 HE1 TYR 101 -6.631 0.423 6.467 777 HE2 TYR 101 HE2 TYR 101 -6.400 4.604 5.666 778 HH TYR 101 HH TYR 101 -7.490 2.985 4.322 779 H LEU 102 H LEU 102 -1.111 4.360 6.913 780 HA LEU 102 HA LEU 102 0.968 5.078 8.868 781 1HB LEU 102 1HB LEU 102 0.970 4.805 6.069 782 2HB LEU 102 2HB LEU 102 0.999 6.528 6.345 783 HG LEU 102 HG LEU 102 3.097 6.400 7.476 784 1HD1 LEU 102 1HD1 LEU 102 4.181 4.013 7.518 785 2HD1 LEU 102 2HD1 LEU 102 2.495 3.487 7.598 786 3HD1 LEU 102 3HD1 LEU 102 3.145 4.559 8.840 787 1HD2 LEU 102 1HD2 LEU 102 2.799 5.006 4.878 788 2HD2 LEU 102 2HD2 LEU 102 4.365 4.870 5.679 789 3HD2 LEU 102 3HD2 LEU 102 3.709 6.455 5.284 790 HA PRO 103 HA PRO 103 -1.501 8.590 10.092 791 1HB PRO 103 1HB PRO 103 1.060 10.042 10.425 792 2HB PRO 103 2HB PRO 103 -0.209 9.719 11.609 793 1HG PRO 103 1HG PRO 103 2.113 8.413 11.711 794 2HG PRO 103 2HG PRO 103 0.585 7.590 12.077 795 1HD PRO 103 1HD PRO 103 2.239 7.492 9.580 796 2HD PRO 103 2HD PRO 103 1.388 6.179 10.421 797 H LYS 104 H LYS 104 1.193 9.045 7.909 798 HA LYS 104 HA LYS 104 -0.054 10.193 5.795 799 1HB LYS 104 1HB LYS 104 -0.744 12.081 7.197 800 2HB LYS 104 2HB LYS 104 0.931 12.373 7.650 801 1HG LYS 104 1HG LYS 104 0.156 13.937 5.934 802 2HG LYS 104 2HG LYS 104 1.484 12.930 5.356 803 1HD LYS 104 1HD LYS 104 -0.975 11.611 4.774 804 2HD LYS 104 2HD LYS 104 -1.092 13.278 4.217 805 1HE LYS 104 1HE LYS 104 0.576 13.025 2.668 806 2HE LYS 104 2HE LYS 104 1.388 11.761 3.586 807 1HZ LYS 104 1HZ LYS 104 -1.138 11.447 2.053 808 2HZ LYS 104 2HZ LYS 104 -0.389 10.228 2.951 809 3HZ LYS 104 3HZ LYS 104 0.380 10.857 1.578 810 HA PRO 105 HA PRO 105 4.778 11.385 5.925 811 1HB PRO 105 1HB PRO 105 5.898 9.589 7.797 812 2HB PRO 105 2HB PRO 105 5.820 11.346 7.948 813 1HG PRO 105 1HG PRO 105 4.054 9.262 9.122 814 2HG PRO 105 2HG PRO 105 4.521 10.843 9.774 815 1HD PRO 105 1HD PRO 105 2.083 10.428 8.770 816 2HD PRO 105 2HD PRO 105 2.922 11.970 8.526 817 H PHE 106 H PHE 106 6.422 9.908 4.971 818 HA PHE 106 HA PHE 106 5.842 7.136 4.698 819 1HB PHE 106 1HB PHE 106 4.036 8.268 3.322 820 2HB PHE 106 2HB PHE 106 5.304 8.830 2.247 821 HD1 PHE 106 HD1 PHE 106 6.673 7.151 1.001 822 HD2 PHE 106 HD2 PHE 106 3.170 6.101 3.171 823 HE1 PHE 106 HE1 PHE 106 6.515 5.055 -0.276 824 HE2 PHE 106 HE2 PHE 106 3.004 4.010 1.898 825 HZ PHE 106 HZ PHE 106 4.681 3.482 0.174 826 H ASP 107 H ASP 107 6.969 9.028 1.947 827 HA ASP 107 HA ASP 107 8.965 8.878 0.832 828 1HB ASP 107 1HB ASP 107 10.792 9.922 2.041 829 2HB ASP 107 2HB ASP 107 9.284 10.736 2.441 830 H ILE 108 H ILE 108 11.492 8.169 1.460 831 HA ILE 108 HA ILE 108 11.324 5.360 1.439 832 HB ILE 108 HB ILE 108 13.539 7.303 1.325 833 1HG1 ILE 108 1HG1 ILE 108 13.863 6.456 -0.835 834 2HG1 ILE 108 2HG1 ILE 108 13.049 4.942 -0.453 835 1HG2 ILE 108 1HG2 ILE 108 14.214 4.398 1.341 836 2HG2 ILE 108 2HG2 ILE 108 14.184 5.305 2.851 837 3HG2 ILE 108 3HG2 ILE 108 15.272 5.788 1.553 838 1HD1 ILE 108 1HD1 ILE 108 11.652 6.232 -1.888 839 2HD1 ILE 108 2HD1 ILE 108 11.775 7.637 -0.838 840 3HD1 ILE 108 3HD1 ILE 108 10.916 6.199 -0.294 841 H ASP 109 H ASP 109 12.617 7.573 3.826 842 HA ASP 109 HA ASP 109 13.552 5.760 5.655 843 1HB ASP 109 1HB ASP 109 12.294 8.470 6.063 844 2HB ASP 109 2HB ASP 109 12.962 7.540 7.399 845 H GLU 110 H GLU 110 10.285 7.205 5.728 846 HA GLU 110 HA GLU 110 9.424 5.430 7.763 847 1HB GLU 110 1HB GLU 110 7.741 7.236 6.034 848 2HB GLU 110 2HB GLU 110 7.261 6.498 7.553 849 1HG GLU 110 1HG GLU 110 9.700 8.127 7.669 850 2HG GLU 110 2HG GLU 110 8.215 9.005 7.301 851 H ALA 111 H ALA 111 9.177 5.365 4.263 852 HA ALA 111 HA ALA 111 7.186 3.281 4.367 853 1HB ALA 111 1HB ALA 111 7.282 3.266 1.951 854 2HB ALA 111 2HB ALA 111 8.707 4.303 1.979 855 3HB ALA 111 3HB ALA 111 7.154 4.920 2.550 856 H VAL 112 H VAL 112 10.542 3.471 3.129 857 HA VAL 112 HA VAL 112 10.884 0.755 2.664 858 HB VAL 112 HB VAL 112 13.015 2.627 3.676 859 1HG1 VAL 112 1HG1 VAL 112 13.106 -0.100 3.220 860 2HG1 VAL 112 2HG1 VAL 112 14.490 0.992 3.314 861 3HG1 VAL 112 3HG1 VAL 112 13.782 0.598 1.747 862 1HG2 VAL 112 1HG2 VAL 112 13.417 2.562 1.029 863 2HG2 VAL 112 2HG2 VAL 112 12.416 3.776 1.821 864 3HG2 VAL 112 3HG2 VAL 112 11.663 2.377 1.058 865 H ALA 113 H ALA 113 10.934 2.577 5.600 866 HA ALA 113 HA ALA 113 12.176 0.750 7.329 867 1HB ALA 113 1HB ALA 113 10.599 3.159 7.545 868 2HB ALA 113 2HB ALA 113 11.827 2.525 8.646 869 3HB ALA 113 3HB ALA 113 10.149 1.999 8.790 870 H LEU 114 H LEU 114 8.755 1.334 6.660 871 HA LEU 114 HA LEU 114 7.835 -0.921 8.098 872 1HB LEU 114 1HB LEU 114 6.509 1.121 7.709 873 2HB LEU 114 2HB LEU 114 6.412 0.712 6.007 874 HG LEU 114 HG LEU 114 5.378 -1.536 6.979 875 1HD1 LEU 114 1HD1 LEU 114 3.825 -0.223 8.879 876 2HD1 LEU 114 2HD1 LEU 114 5.489 0.223 9.261 877 3HD1 LEU 114 3HD1 LEU 114 5.031 -1.476 9.170 878 1HD2 LEU 114 1HD2 LEU 114 3.995 1.101 6.561 879 2HD2 LEU 114 2HD2 LEU 114 3.127 -0.415 6.796 880 3HD2 LEU 114 3HD2 LEU 114 4.197 -0.219 5.408 881 H VAL 115 H VAL 115 8.992 -0.563 4.843 882 HA VAL 115 HA VAL 115 7.585 -2.875 3.888 883 HB VAL 115 HB VAL 115 8.335 -0.954 2.396 884 1HG1 VAL 115 1HG1 VAL 115 10.514 -0.951 1.494 885 2HG1 VAL 115 2HG1 VAL 115 10.924 -2.479 2.275 886 3HG1 VAL 115 3HG1 VAL 115 10.708 -1.023 3.240 887 1HG2 VAL 115 1HG2 VAL 115 9.306 -3.253 0.947 888 2HG2 VAL 115 2HG2 VAL 115 7.810 -2.342 0.741 889 3HG2 VAL 115 3HG2 VAL 115 7.886 -3.659 1.910 890 H GLU 116 H GLU 116 11.009 -2.211 4.673 891 HA GLU 116 HA GLU 116 11.903 -4.838 4.173 892 1HB GLU 116 1HB GLU 116 12.999 -2.660 5.956 893 2HB GLU 116 2HB GLU 116 13.824 -4.189 5.691 894 1HG GLU 116 1HG GLU 116 13.543 -3.533 3.165 895 2HG GLU 116 2HG GLU 116 13.407 -1.908 3.832 896 H ARG 117 H ARG 117 10.841 -3.225 7.150 897 HA ARG 117 HA ARG 117 11.190 -5.453 8.843 898 1HB ARG 117 1HB ARG 117 9.366 -3.057 9.084 899 2HB ARG 117 2HB ARG 117 9.614 -4.236 10.363 900 1HG ARG 117 1HG ARG 117 12.016 -3.662 10.380 901 2HG ARG 117 2HG ARG 117 11.697 -2.417 9.169 902 1HD ARG 117 1HD ARG 117 10.983 -0.989 10.719 903 2HD ARG 117 2HD ARG 117 9.881 -2.185 11.401 904 HE ARG 117 HE ARG 117 12.449 -1.433 12.410 905 1HH1 ARG 117 1HH1 ARG 117 10.164 -4.064 12.210 906 2HH1 ARG 117 2HH1 ARG 117 10.726 -4.828 13.658 907 1HH2 ARG 117 1HH2 ARG 117 13.189 -2.436 14.315 908 2HH2 ARG 117 2HH2 ARG 117 12.446 -3.904 14.853 909 H ALA 118 H ALA 118 8.752 -4.543 6.591 910 HA ALA 118 HA ALA 118 6.628 -6.131 7.583 911 1HB ALA 118 1HB ALA 118 7.202 -4.789 4.973 912 2HB ALA 118 2HB ALA 118 5.936 -4.449 6.148 913 3HB ALA 118 3HB ALA 118 5.832 -5.885 5.130 914 H ILE 119 H ILE 119 8.894 -6.608 4.882 915 HA ILE 119 HA ILE 119 8.041 -9.223 4.266 916 HB ILE 119 HB ILE 119 10.754 -8.032 3.714 917 1HG1 ILE 119 1HG1 ILE 119 8.649 -7.983 1.632 918 2HG1 ILE 119 2HG1 ILE 119 8.432 -6.857 2.969 919 1HG2 ILE 119 1HG2 ILE 119 9.191 -10.248 2.405 920 2HG2 ILE 119 2HG2 ILE 119 10.724 -10.381 3.268 921 3HG2 ILE 119 3HG2 ILE 119 10.651 -9.529 1.725 922 1HD1 ILE 119 1HD1 ILE 119 10.509 -5.807 2.521 923 2HD1 ILE 119 2HD1 ILE 119 9.642 -5.943 0.990 924 3HD1 ILE 119 3HD1 ILE 119 10.958 -7.059 1.361 925 H SER 120 H SER 120 10.367 -7.946 6.494 926 HA SER 120 HA SER 120 11.736 -10.369 7.032 927 1HB SER 120 1HB SER 120 12.925 -9.176 8.633 928 2HB SER 120 2HB SER 120 12.414 -7.892 7.539 929 HG SER 120 HG SER 120 11.938 -7.242 9.608 930 H HIS 121 H HIS 121 9.058 -8.684 8.620 931 HA HIS 121 HA HIS 121 8.798 -10.460 10.790 932 1HB HIS 121 1HB HIS 121 7.194 -8.294 9.596 933 2HB HIS 121 2HB HIS 121 6.277 -9.494 10.500 934 HD1 HIS 121 HD1 HIS 121 8.792 -6.770 10.923 935 HD2 HIS 121 HD2 HIS 121 6.716 -9.498 13.269 936 HE1 HIS 121 HE1 HIS 121 9.134 -6.011 13.295 937 HE2 HIS 121 HE2 HIS 121 7.949 -7.733 14.703 938 H TYR 122 H TYR 122 7.629 -10.546 7.528 939 HA TYR 122 HA TYR 122 5.712 -12.608 7.942 940 1HB TYR 122 1HB TYR 122 6.614 -10.970 5.743 941 2HB TYR 122 2HB TYR 122 6.437 -12.648 5.241 942 HD1 TYR 122 HD1 TYR 122 4.153 -13.492 6.928 943 HD2 TYR 122 HD2 TYR 122 4.790 -9.895 4.746 944 HE1 TYR 122 HE1 TYR 122 1.721 -13.183 6.737 945 HE2 TYR 122 HE2 TYR 122 2.361 -9.575 4.550 946 HH TYR 122 HH TYR 122 0.143 -11.150 6.400 947 H GLN 123 H GLN 123 8.901 -12.575 6.341 948 HA GLN 123 HA GLN 123 10.414 -14.229 5.933 949 1HB GLN 123 1HB GLN 123 9.915 -14.287 8.581 950 2HB GLN 123 2HB GLN 123 9.428 -15.922 8.154 951 1HG GLN 123 1HG GLN 123 11.615 -16.290 8.626 952 2HG GLN 123 2HG GLN 123 11.752 -15.918 6.910 953 1HE2 GLN 123 1HE2 GLN 123 12.066 -14.583 10.142 954 2HE2 GLN 123 2HE2 GLN 123 13.186 -13.338 9.721 955 H GLU 124 H GLU 124 10.624 -16.727 5.637 956 HA GLU 124 HA GLU 124 8.166 -18.091 4.999 957 1HB GLU 124 1HB GLU 124 8.969 -16.485 3.034 958 2HB GLU 124 2HB GLU 124 10.015 -17.852 2.680 959 1HG GLU 124 1HG GLU 124 8.041 -19.308 2.558 960 2HG GLU 124 2HG GLU 124 7.011 -17.907 2.855 Start of MODEL 3 1 1H MET 1 1H MET 1 12.067 -14.208 0.915 2 2H MET 1 2H MET 1 12.630 -14.215 -0.707 3 3H MET 1 3H MET 1 12.850 -15.596 0.286 4 HA MET 1 HA MET 1 11.077 -16.327 -0.763 5 1HB MET 1 1HB MET 1 10.216 -14.580 1.490 6 2HB MET 1 2HB MET 1 8.957 -15.235 0.452 7 1HG MET 1 1HG MET 1 11.019 -17.098 1.491 8 2HG MET 1 2HG MET 1 9.795 -16.498 2.609 9 1HE MET 1 1HE MET 1 10.290 -19.727 0.400 10 2HE MET 1 2HE MET 1 10.734 -18.259 -0.470 11 3HE MET 1 3HE MET 1 9.342 -19.206 -0.993 12 H GLN 2 H GLN 2 10.233 -16.051 -2.714 13 HA GLN 2 HA GLN 2 9.355 -15.094 -4.582 14 1HB GLN 2 1HB GLN 2 7.837 -14.152 -2.423 15 2HB GLN 2 2HB GLN 2 8.174 -12.727 -3.397 16 1HG GLN 2 1HG GLN 2 6.100 -13.670 -4.107 17 2HG GLN 2 2HG GLN 2 7.297 -13.928 -5.375 18 1HE2 GLN 2 1HE2 GLN 2 5.017 -15.403 -5.348 19 2HE2 GLN 2 2HE2 GLN 2 5.372 -17.041 -4.930 20 H ARG 3 H ARG 3 9.508 -13.220 -6.028 21 HA ARG 3 HA ARG 3 12.069 -12.074 -5.991 22 1HB ARG 3 1HB ARG 3 11.329 -10.767 -7.915 23 2HB ARG 3 2HB ARG 3 10.796 -12.437 -8.056 24 1HG ARG 3 1HG ARG 3 8.601 -11.549 -6.988 25 2HG ARG 3 2HG ARG 3 9.192 -9.978 -7.531 26 1HD ARG 3 1HD ARG 3 9.159 -12.279 -9.433 27 2HD ARG 3 2HD ARG 3 7.658 -11.425 -9.079 28 HE ARG 3 HE ARG 3 9.542 -9.494 -9.694 29 1HH1 ARG 3 1HH1 ARG 3 8.025 -12.199 -11.293 30 2HH1 ARG 3 2HH1 ARG 3 8.143 -11.493 -12.870 31 1HH2 ARG 3 1HH2 ARG 3 9.698 -8.562 -11.768 32 2HH2 ARG 3 2HH2 ARG 3 9.093 -9.429 -13.141 33 H GLY 4 H GLY 4 9.190 -11.137 -4.409 34 1HA GLY 4 1HA GLY 4 8.872 -9.441 -2.873 35 2HA GLY 4 2HA GLY 4 10.503 -8.880 -3.209 36 H ILE 5 H ILE 5 7.141 -8.609 -4.036 37 HA ILE 5 HA ILE 5 7.781 -6.398 -5.876 38 HB ILE 5 HB ILE 5 5.157 -7.871 -5.684 39 1HG1 ILE 5 1HG1 ILE 5 6.300 -8.587 -8.091 40 2HG1 ILE 5 2HG1 ILE 5 7.671 -8.622 -6.986 41 1HG2 ILE 5 1HG2 ILE 5 4.391 -6.514 -7.288 42 2HG2 ILE 5 2HG2 ILE 5 5.908 -6.560 -8.184 43 3HG2 ILE 5 3HG2 ILE 5 5.723 -5.456 -6.822 44 1HD1 ILE 5 1HD1 ILE 5 6.901 -10.425 -5.883 45 2HD1 ILE 5 2HD1 ILE 5 6.034 -10.700 -7.394 46 3HD1 ILE 5 3HD1 ILE 5 5.213 -9.934 -6.033 47 H VAL 6 H VAL 6 7.631 -4.478 -4.904 48 HA VAL 6 HA VAL 6 5.559 -4.090 -2.847 49 HB VAL 6 HB VAL 6 7.820 -3.626 -2.060 50 1HG1 VAL 6 1HG1 VAL 6 8.183 -2.579 -4.636 51 2HG1 VAL 6 2HG1 VAL 6 9.364 -2.660 -3.334 52 3HG1 VAL 6 3HG1 VAL 6 8.362 -1.223 -3.532 53 1HG2 VAL 6 1HG2 VAL 6 7.286 -1.701 -0.936 54 2HG2 VAL 6 2HG2 VAL 6 5.698 -2.147 -1.553 55 3HG2 VAL 6 3HG2 VAL 6 6.647 -0.907 -2.372 56 H TRP 7 H TRP 7 3.856 -2.848 -3.319 57 HA TRP 7 HA TRP 7 4.050 -1.090 -5.670 58 1HB TRP 7 1HB TRP 7 1.787 -2.744 -4.582 59 2HB TRP 7 2HB TRP 7 1.478 -1.381 -5.657 60 HD1 TRP 7 HD1 TRP 7 4.656 -3.162 -6.475 61 HE1 TRP 7 HE1 TRP 7 4.365 -4.562 -8.602 62 HE3 TRP 7 HE3 TRP 7 -0.432 -2.965 -6.875 63 HZ2 TRP 7 HZ2 TRP 7 2.257 -5.491 -10.221 64 HZ3 TRP 7 HZ3 TRP 7 -1.511 -4.147 -8.743 65 HH2 TRP 7 HH2 TRP 7 -0.189 -5.388 -10.380 66 H VAL 8 H VAL 8 3.218 1.003 -5.582 67 HA VAL 8 HA VAL 8 2.305 1.970 -2.957 68 HB VAL 8 HB VAL 8 4.161 3.751 -4.423 69 1HG1 VAL 8 1HG1 VAL 8 3.603 4.779 -2.503 70 2HG1 VAL 8 2HG1 VAL 8 4.928 3.813 -1.854 71 3HG1 VAL 8 3HG1 VAL 8 3.263 3.270 -1.665 72 1HG2 VAL 8 1HG2 VAL 8 6.099 2.616 -3.177 73 2HG2 VAL 8 2HG2 VAL 8 5.532 1.890 -4.681 74 3HG2 VAL 8 3HG2 VAL 8 5.051 1.197 -3.129 75 H VAL 9 H VAL 9 0.781 3.545 -3.009 76 HA VAL 9 HA VAL 9 0.233 4.830 -5.605 77 HB VAL 9 HB VAL 9 -2.138 4.620 -3.910 78 1HG1 VAL 9 1HG1 VAL 9 -2.876 5.106 -5.947 79 2HG1 VAL 9 2HG1 VAL 9 -2.642 3.416 -6.363 80 3HG1 VAL 9 3HG1 VAL 9 -1.382 4.606 -6.698 81 1HG2 VAL 9 1HG2 VAL 9 -0.829 2.097 -4.886 82 2HG2 VAL 9 2HG2 VAL 9 -2.549 2.219 -4.509 83 3HG2 VAL 9 3HG2 VAL 9 -1.353 2.486 -3.256 84 H ASP 10 H ASP 10 0.938 6.871 -5.294 85 HA ASP 10 HA ASP 10 -0.420 8.796 -3.931 86 1HB ASP 10 1HB ASP 10 0.179 7.622 -1.832 87 2HB ASP 10 2HB ASP 10 1.881 7.873 -2.191 88 H ASP 11 H ASP 11 0.155 10.515 -5.041 89 HA ASP 11 HA ASP 11 1.378 12.174 -5.989 90 1HB ASP 11 1HB ASP 11 2.993 11.303 -3.906 91 2HB ASP 11 2HB ASP 11 4.060 11.286 -5.308 92 H ASP 12 H ASP 12 2.168 8.856 -6.542 93 HA ASP 12 HA ASP 12 2.711 7.745 -8.437 94 1HB ASP 12 1HB ASP 12 1.214 9.683 -9.391 95 2HB ASP 12 2HB ASP 12 2.738 10.278 -10.040 96 H SER 13 H SER 13 4.308 9.455 -10.575 97 HA SER 13 HA SER 13 6.757 8.492 -10.392 98 1HB SER 13 1HB SER 13 5.976 11.292 -11.157 99 2HB SER 13 2HB SER 13 7.611 10.671 -11.386 100 HG SER 13 HG SER 13 6.852 9.190 -12.824 101 H SER 14 H SER 14 5.766 11.343 -8.586 102 HA SER 14 HA SER 14 8.193 12.041 -7.443 103 1HB SER 14 1HB SER 14 5.342 12.386 -6.636 104 2HB SER 14 2HB SER 14 6.584 12.724 -5.431 105 HG SER 14 HG SER 14 5.982 14.559 -6.731 106 H ILE 15 H ILE 15 5.667 10.218 -5.710 107 HA ILE 15 HA ILE 15 7.438 9.289 -3.718 108 HB ILE 15 HB ILE 15 4.702 8.296 -4.532 109 1HG1 ILE 15 1HG1 ILE 15 4.922 10.634 -3.635 110 2HG1 ILE 15 2HG1 ILE 15 3.884 9.580 -2.681 111 1HG2 ILE 15 1HG2 ILE 15 6.268 7.613 -2.043 112 2HG2 ILE 15 2HG2 ILE 15 5.980 6.522 -3.398 113 3HG2 ILE 15 3HG2 ILE 15 4.626 7.093 -2.425 114 1HD1 ILE 15 1HD1 ILE 15 5.244 9.656 -0.889 115 2HD1 ILE 15 2HD1 ILE 15 5.761 11.170 -1.632 116 3HD1 ILE 15 3HD1 ILE 15 6.712 9.703 -1.865 117 H ARG 16 H ARG 16 6.759 8.245 -6.904 118 HA ARG 16 HA ARG 16 7.479 5.502 -6.627 119 1HB ARG 16 1HB ARG 16 6.104 6.494 -8.490 120 2HB ARG 16 2HB ARG 16 7.583 7.193 -9.126 121 1HG ARG 16 1HG ARG 16 8.527 4.903 -9.309 122 2HG ARG 16 2HG ARG 16 6.957 4.265 -8.832 123 1HD ARG 16 1HD ARG 16 6.268 5.962 -10.845 124 2HD ARG 16 2HD ARG 16 7.840 5.380 -11.392 125 HE ARG 16 HE ARG 16 5.395 3.880 -11.232 126 1HH1 ARG 16 1HH1 ARG 16 8.879 3.671 -11.261 127 2HH1 ARG 16 2HH1 ARG 16 8.900 2.034 -11.829 128 1HH2 ARG 16 1HH2 ARG 16 5.423 1.727 -11.977 129 2HH2 ARG 16 2HH2 ARG 16 6.939 0.932 -12.235 130 H TRP 17 H TRP 17 9.179 8.188 -8.241 131 HA TRP 17 HA TRP 17 11.564 6.971 -8.776 132 1HB TRP 17 1HB TRP 17 10.963 9.250 -9.502 133 2HB TRP 17 2HB TRP 17 11.227 9.829 -7.860 134 HD1 TRP 17 HD1 TRP 17 13.210 8.286 -10.798 135 HE1 TRP 17 HE1 TRP 17 15.657 9.058 -10.604 136 HE3 TRP 17 HE3 TRP 17 12.925 10.774 -6.339 137 HZ2 TRP 17 HZ2 TRP 17 17.256 10.527 -8.800 138 HZ3 TRP 17 HZ3 TRP 17 14.962 11.833 -5.448 139 HH2 TRP 17 HH2 TRP 17 17.081 11.710 -6.654 140 H VAL 18 H VAL 18 10.670 8.562 -5.732 141 HA VAL 18 HA VAL 18 13.181 8.259 -4.516 142 HB VAL 18 HB VAL 18 10.733 8.211 -2.819 143 1HG1 VAL 18 1HG1 VAL 18 13.242 8.299 -2.102 144 2HG1 VAL 18 2HG1 VAL 18 12.042 9.283 -1.263 145 3HG1 VAL 18 3HG1 VAL 18 13.085 10.014 -2.482 146 1HG2 VAL 18 1HG2 VAL 18 9.936 10.210 -3.410 147 2HG2 VAL 18 2HG2 VAL 18 10.844 10.008 -4.904 148 3HG2 VAL 18 3HG2 VAL 18 11.546 10.906 -3.565 149 H LEU 19 H LEU 19 10.233 6.445 -3.820 150 HA LEU 19 HA LEU 19 11.608 4.473 -2.331 151 1HB LEU 19 1HB LEU 19 9.067 5.227 -2.343 152 2HB LEU 19 2HB LEU 19 8.923 3.870 -3.445 153 HG LEU 19 HG LEU 19 9.974 2.421 -1.696 154 1HD1 LEU 19 1HD1 LEU 19 11.144 4.082 -0.412 155 2HD1 LEU 19 2HD1 LEU 19 9.960 3.283 0.621 156 3HD1 LEU 19 3HD1 LEU 19 9.631 4.895 -0.013 157 1HD2 LEU 19 1HD2 LEU 19 7.328 3.645 -1.649 158 2HD2 LEU 19 2HD2 LEU 19 7.820 2.982 -0.091 159 3HD2 LEU 19 3HD2 LEU 19 7.799 1.951 -1.520 160 H GLU 20 H GLU 20 11.053 4.766 -5.716 161 HA GLU 20 HA GLU 20 11.048 2.008 -6.292 162 1HB GLU 20 1HB GLU 20 11.314 2.542 -8.573 163 2HB GLU 20 2HB GLU 20 10.269 3.761 -7.881 164 1HG GLU 20 1HG GLU 20 12.108 5.331 -7.841 165 2HG GLU 20 2HG GLU 20 13.194 4.097 -8.467 166 H ARG 21 H ARG 21 13.648 4.372 -6.664 167 HA ARG 21 HA ARG 21 15.624 2.459 -7.268 168 1HB ARG 21 1HB ARG 21 15.868 5.269 -6.198 169 2HB ARG 21 2HB ARG 21 17.238 4.300 -6.724 170 1HG ARG 21 1HG ARG 21 15.074 4.488 -8.686 171 2HG ARG 21 2HG ARG 21 15.844 6.025 -8.295 172 1HD ARG 21 1HD ARG 21 17.674 5.493 -9.445 173 2HD ARG 21 2HD ARG 21 17.799 3.924 -8.654 174 HE ARG 21 HE ARG 21 16.433 4.515 -11.169 175 1HH1 ARG 21 1HH1 ARG 21 17.320 2.160 -8.743 176 2HH1 ARG 21 2HH1 ARG 21 16.978 0.805 -9.763 177 1HH2 ARG 21 1HH2 ARG 21 15.980 2.730 -12.500 178 2HH2 ARG 21 2HH2 ARG 21 16.217 1.126 -11.891 179 H ALA 22 H ALA 22 15.127 4.262 -4.218 180 HA ALA 22 HA ALA 22 17.085 3.011 -2.733 181 1HB ALA 22 1HB ALA 22 14.496 3.701 -1.431 182 2HB ALA 22 2HB ALA 22 15.488 4.975 -2.137 183 3HB ALA 22 3HB ALA 22 16.142 3.957 -0.855 184 H LEU 23 H LEU 23 13.674 2.120 -2.826 185 HA LEU 23 HA LEU 23 13.993 -0.239 -1.315 186 1HB LEU 23 1HB LEU 23 11.851 1.006 -1.703 187 2HB LEU 23 2HB LEU 23 11.830 0.344 -3.321 188 HG LEU 23 HG LEU 23 11.519 -1.867 -2.523 189 1HD1 LEU 23 1HD1 LEU 23 12.466 -0.719 0.032 190 2HD1 LEU 23 2HD1 LEU 23 12.765 -2.303 -0.678 191 3HD1 LEU 23 3HD1 LEU 23 11.236 -1.979 0.134 192 1HD2 LEU 23 1HD2 LEU 23 9.399 -1.714 -1.493 193 2HD2 LEU 23 2HD2 LEU 23 9.563 -0.290 -2.522 194 3HD2 LEU 23 3HD2 LEU 23 9.781 -0.148 -0.777 195 H ALA 24 H ALA 24 14.697 0.525 -4.577 196 HA ALA 24 HA ALA 24 14.502 -2.098 -5.662 197 1HB ALA 24 1HB ALA 24 14.697 -0.829 -7.498 198 2HB ALA 24 2HB ALA 24 16.426 -0.767 -7.158 199 3HB ALA 24 3HB ALA 24 15.368 0.518 -6.583 200 H GLY 25 H GLY 25 16.992 -0.186 -4.065 201 1HA GLY 25 1HA GLY 25 19.179 -1.907 -4.499 202 2HA GLY 25 2HA GLY 25 19.013 -0.787 -3.151 203 H ALA 26 H ALA 26 16.438 -2.126 -2.394 204 HA ALA 26 HA ALA 26 17.579 -4.058 -0.622 205 1HB ALA 26 1HB ALA 26 15.101 -4.338 0.029 206 2HB ALA 26 2HB ALA 26 14.826 -2.952 -1.027 207 3HB ALA 26 3HB ALA 26 15.893 -2.798 0.368 208 H GLY 27 H GLY 27 16.247 -4.144 -3.755 209 1HA GLY 27 1HA GLY 27 16.438 -6.076 -5.108 210 2HA GLY 27 2HA GLY 27 16.316 -7.067 -3.668 211 H LEU 28 H LEU 28 13.955 -4.485 -4.239 212 HA LEU 28 HA LEU 28 12.063 -6.594 -4.986 213 1HB LEU 28 1HB LEU 28 11.012 -4.237 -3.549 214 2HB LEU 28 2HB LEU 28 10.478 -5.906 -3.512 215 HG LEU 28 HG LEU 28 12.823 -6.190 -2.262 216 1HD1 LEU 28 1HD1 LEU 28 13.720 -4.152 -2.099 217 2HD1 LEU 28 2HD1 LEU 28 12.728 -4.132 -0.640 218 3HD1 LEU 28 3HD1 LEU 28 12.155 -3.351 -2.112 219 1HD2 LEU 28 1HD2 LEU 28 10.104 -6.121 -1.551 220 2HD2 LEU 28 2HD2 LEU 28 10.980 -5.222 -0.311 221 3HD2 LEU 28 3HD2 LEU 28 11.432 -6.887 -0.679 222 H THR 29 H THR 29 10.032 -5.766 -5.997 223 HA THR 29 HA THR 29 10.748 -3.832 -8.074 224 HB THR 29 HB THR 29 8.460 -5.795 -7.854 225 HG1 THR 29 HG1 THR 29 9.815 -7.058 -8.795 226 1HG2 THR 29 1HG2 THR 29 7.371 -4.482 -9.290 227 2HG2 THR 29 2HG2 THR 29 8.543 -5.063 -10.473 228 3HG2 THR 29 3HG2 THR 29 8.807 -3.523 -9.654 229 H CYS 30 H CYS 30 10.212 -1.800 -7.763 230 HA CYS 30 HA CYS 30 7.897 -1.162 -6.072 231 1HB CYS 30 1HB CYS 30 9.763 0.963 -6.928 232 2HB CYS 30 2HB CYS 30 8.996 0.697 -5.366 233 HG CYS 30 HG CYS 30 11.626 0.279 -5.290 234 H THR 31 H THR 31 6.092 -0.857 -7.230 235 HA THR 31 HA THR 31 6.270 0.870 -9.613 236 HB THR 31 HB THR 31 5.645 -1.632 -9.999 237 HG1 THR 31 HG1 THR 31 4.350 -1.013 -11.666 238 1HG2 THR 31 1HG2 THR 31 4.048 -1.963 -8.283 239 2HG2 THR 31 2HG2 THR 31 3.220 -2.057 -9.833 240 3HG2 THR 31 3HG2 THR 31 3.086 -0.611 -8.839 241 H THR 32 H THR 32 4.836 2.599 -9.636 242 HA THR 32 HA THR 32 3.124 2.808 -7.265 243 HB THR 32 HB THR 32 3.479 5.256 -7.397 244 HG1 THR 32 HG1 THR 32 4.046 5.381 -9.594 245 1HG2 THR 32 1HG2 THR 32 5.042 3.506 -6.175 246 2HG2 THR 32 2HG2 THR 32 5.423 5.230 -6.223 247 3HG2 THR 32 3HG2 THR 32 6.211 4.118 -7.340 248 H PHE 33 H PHE 33 1.299 4.217 -7.380 249 HA PHE 33 HA PHE 33 0.097 4.497 -10.031 250 1HB PHE 33 1HB PHE 33 -1.303 3.273 -7.662 251 2HB PHE 33 2HB PHE 33 -1.979 3.519 -9.256 252 HD1 PHE 33 HD1 PHE 33 0.853 1.869 -7.541 253 HD2 PHE 33 HD2 PHE 33 -1.917 1.736 -10.766 254 HE1 PHE 33 HE1 PHE 33 1.674 -0.355 -8.149 255 HE2 PHE 33 HE2 PHE 33 -1.098 -0.498 -11.383 256 HZ PHE 33 HZ PHE 33 0.701 -1.551 -10.071 257 H GLU 34 H GLU 34 -2.123 5.740 -9.752 258 HA GLU 34 HA GLU 34 -1.497 8.308 -8.884 259 1HB GLU 34 1HB GLU 34 -3.942 8.766 -9.246 260 2HB GLU 34 2HB GLU 34 -3.095 8.025 -10.597 261 1HG GLU 34 1HG GLU 34 -4.810 6.615 -10.661 262 2HG GLU 34 2HG GLU 34 -4.038 5.844 -9.281 263 H ASN 35 H ASN 35 -4.066 6.250 -7.371 264 HA ASN 35 HA ASN 35 -3.230 7.181 -4.786 265 1HB ASN 35 1HB ASN 35 -5.854 8.036 -5.971 266 2HB ASN 35 2HB ASN 35 -5.572 8.010 -4.233 267 1HD2 ASN 35 1HD2 ASN 35 -5.387 9.840 -6.992 268 2HD2 ASN 35 2HD2 ASN 35 -4.351 11.096 -6.417 269 H GLY 36 H GLY 36 -5.124 5.049 -6.736 270 1HA GLY 36 1HA GLY 36 -4.967 2.933 -4.956 271 2HA GLY 36 2HA GLY 36 -6.485 3.735 -4.617 272 H ASN 37 H ASN 37 -7.763 4.223 -6.783 273 HA ASN 37 HA ASN 37 -8.700 1.842 -7.752 274 1HB ASN 37 1HB ASN 37 -9.056 4.620 -8.421 275 2HB ASN 37 2HB ASN 37 -9.082 3.626 -9.873 276 1HD2 ASN 37 1HD2 ASN 37 -10.112 2.732 -6.623 277 2HD2 ASN 37 2HD2 ASN 37 -11.770 2.459 -7.022 278 H GLU 38 H GLU 38 -5.919 3.625 -8.812 279 HA GLU 38 HA GLU 38 -5.550 2.365 -11.304 280 1HB GLU 38 1HB GLU 38 -4.113 4.186 -9.636 281 2HB GLU 38 2HB GLU 38 -3.022 2.926 -10.170 282 1HG GLU 38 1HG GLU 38 -4.228 3.501 -12.496 283 2HG GLU 38 2HG GLU 38 -4.314 5.070 -11.698 284 H VAL 39 H VAL 39 -3.944 1.702 -8.145 285 HA VAL 39 HA VAL 39 -2.550 -0.577 -8.844 286 HB VAL 39 HB VAL 39 -4.051 -0.297 -6.243 287 1HG1 VAL 39 1HG1 VAL 39 -1.317 -1.405 -6.422 288 2HG1 VAL 39 2HG1 VAL 39 -2.631 -2.400 -7.051 289 3HG1 VAL 39 3HG1 VAL 39 -2.657 -1.855 -5.373 290 1HG2 VAL 39 1HG2 VAL 39 -2.986 1.702 -6.233 291 2HG2 VAL 39 2HG2 VAL 39 -1.694 1.147 -7.289 292 3HG2 VAL 39 3HG2 VAL 39 -1.703 0.676 -5.596 293 H LEU 40 H LEU 40 -5.898 -0.338 -7.757 294 HA LEU 40 HA LEU 40 -6.591 -2.996 -7.607 295 1HB LEU 40 1HB LEU 40 -8.519 -1.106 -8.878 296 2HB LEU 40 2HB LEU 40 -8.807 -2.344 -7.672 297 HG LEU 40 HG LEU 40 -7.650 0.402 -7.261 298 1HD1 LEU 40 1HD1 LEU 40 -9.656 0.940 -6.476 299 2HD1 LEU 40 2HD1 LEU 40 -9.727 -0.497 -5.469 300 3HD1 LEU 40 3HD1 LEU 40 -10.239 -0.578 -7.152 301 1HD2 LEU 40 1HD2 LEU 40 -6.861 -1.914 -5.881 302 2HD2 LEU 40 2HD2 LEU 40 -7.972 -1.057 -4.814 303 3HD2 LEU 40 3HD2 LEU 40 -6.545 -0.235 -5.445 304 H ALA 41 H ALA 41 -6.571 -0.932 -10.488 305 HA ALA 41 HA ALA 41 -7.605 -2.793 -12.298 306 1HB ALA 41 1HB ALA 41 -6.874 -1.359 -14.011 307 2HB ALA 41 2HB ALA 41 -5.547 -0.737 -13.028 308 3HB ALA 41 3HB ALA 41 -7.212 -0.301 -12.640 309 H ALA 42 H ALA 42 -4.281 -2.039 -11.459 310 HA ALA 42 HA ALA 42 -3.124 -4.009 -13.145 311 1HB ALA 42 1HB ALA 42 -1.941 -2.543 -10.793 312 2HB ALA 42 2HB ALA 42 -1.877 -2.033 -12.480 313 3HB ALA 42 3HB ALA 42 -1.035 -3.495 -11.968 314 H LEU 43 H LEU 43 -4.232 -3.958 -9.834 315 HA LEU 43 HA LEU 43 -2.945 -6.303 -8.944 316 1HB LEU 43 1HB LEU 43 -5.275 -4.692 -8.029 317 2HB LEU 43 2HB LEU 43 -5.063 -6.301 -7.369 318 HG LEU 43 HG LEU 43 -2.820 -4.322 -7.283 319 1HD1 LEU 43 1HD1 LEU 43 -4.965 -3.381 -6.295 320 2HD1 LEU 43 2HD1 LEU 43 -3.571 -3.465 -5.223 321 3HD1 LEU 43 3HD1 LEU 43 -4.849 -4.667 -5.096 322 1HD2 LEU 43 1HD2 LEU 43 -2.100 -6.476 -6.730 323 2HD2 LEU 43 2HD2 LEU 43 -3.585 -6.843 -5.851 324 3HD2 LEU 43 3HD2 LEU 43 -2.413 -5.714 -5.169 325 H ALA 44 H ALA 44 -5.779 -5.738 -10.828 326 HA ALA 44 HA ALA 44 -7.185 -8.104 -10.465 327 1HB ALA 44 1HB ALA 44 -8.499 -7.390 -12.154 328 2HB ALA 44 2HB ALA 44 -7.132 -7.028 -13.207 329 3HB ALA 44 3HB ALA 44 -7.588 -5.895 -11.936 330 H SER 45 H SER 45 -4.172 -7.598 -12.023 331 HA SER 45 HA SER 45 -4.240 -10.342 -13.009 332 1HB SER 45 1HB SER 45 -4.295 -9.022 -14.976 333 2HB SER 45 2HB SER 45 -3.092 -7.899 -14.342 334 HG SER 45 HG SER 45 -2.600 -9.887 -15.887 335 H LYS 46 H LYS 46 -2.920 -8.432 -10.719 336 HA LYS 46 HA LYS 46 -0.686 -10.209 -10.377 337 1HB LYS 46 1HB LYS 46 -0.194 -7.896 -11.757 338 2HB LYS 46 2HB LYS 46 0.180 -7.418 -10.107 339 1HG LYS 46 1HG LYS 46 1.346 -9.973 -10.638 340 2HG LYS 46 2HG LYS 46 1.796 -8.841 -11.914 341 1HD LYS 46 1HD LYS 46 2.100 -7.327 -9.655 342 2HD LYS 46 2HD LYS 46 2.601 -8.925 -9.103 343 1HE LYS 46 1HE LYS 46 3.640 -7.953 -11.713 344 2HE LYS 46 2HE LYS 46 4.298 -7.237 -10.240 345 1HZ LYS 46 1HZ LYS 46 5.456 -9.281 -11.183 346 2HZ LYS 46 2HZ LYS 46 4.143 -10.167 -10.591 347 3HZ LYS 46 3HZ LYS 46 5.113 -9.283 -9.526 348 H THR 47 H THR 47 0.366 -9.935 -8.269 349 HA THR 47 HA THR 47 -1.200 -8.433 -6.331 350 HB THR 47 HB THR 47 -0.503 -11.363 -6.111 351 HG1 THR 47 HG1 THR 47 -2.734 -10.021 -6.919 352 1HG2 THR 47 1HG2 THR 47 -1.209 -11.456 -3.964 353 2HG2 THR 47 2HG2 THR 47 -2.266 -10.057 -4.133 354 3HG2 THR 47 3HG2 THR 47 -0.525 -9.831 -3.959 355 HA PRO 48 HA PRO 48 3.115 -7.652 -5.215 356 1HB PRO 48 1HB PRO 48 2.698 -5.486 -3.687 357 2HB PRO 48 2HB PRO 48 2.588 -5.404 -5.450 358 1HG PRO 48 1HG PRO 48 0.392 -5.625 -3.425 359 2HG PRO 48 2HG PRO 48 0.490 -4.581 -4.856 360 1HD PRO 48 1HD PRO 48 -0.898 -6.924 -4.805 361 2HD PRO 48 2HD PRO 48 -0.169 -6.259 -6.276 362 H ASP 49 H ASP 49 4.346 -7.962 -3.326 363 HA ASP 49 HA ASP 49 3.084 -9.566 -1.320 364 1HB ASP 49 1HB ASP 49 5.904 -8.533 -1.646 365 2HB ASP 49 2HB ASP 49 5.406 -9.524 -0.279 366 H VAL 50 H VAL 50 4.058 -6.238 -1.603 367 HA VAL 50 HA VAL 50 2.767 -5.657 0.949 368 HB VAL 50 HB VAL 50 5.111 -5.862 1.563 369 1HG1 VAL 50 1HG1 VAL 50 5.933 -3.580 -0.144 370 2HG1 VAL 50 2HG1 VAL 50 5.750 -5.158 -0.912 371 3HG1 VAL 50 3HG1 VAL 50 6.869 -4.958 0.437 372 1HG2 VAL 50 1HG2 VAL 50 4.032 -3.054 1.479 373 2HG2 VAL 50 2HG2 VAL 50 5.504 -3.485 2.347 374 3HG2 VAL 50 3HG2 VAL 50 3.967 -4.212 2.806 375 H LEU 51 H LEU 51 1.114 -4.601 -0.107 376 HA LEU 51 HA LEU 51 1.717 -2.569 -2.077 377 1HB LEU 51 1HB LEU 51 -0.183 -4.002 -2.470 378 2HB LEU 51 2HB LEU 51 -0.892 -3.548 -0.936 379 HG LEU 51 HG LEU 51 -1.130 -1.219 -1.783 380 1HD1 LEU 51 1HD1 LEU 51 -0.470 -2.378 -4.478 381 2HD1 LEU 51 2HD1 LEU 51 0.686 -1.467 -3.504 382 3HD1 LEU 51 3HD1 LEU 51 -0.793 -0.691 -4.064 383 1HD2 LEU 51 1HD2 LEU 51 -2.803 -3.255 -2.039 384 2HD2 LEU 51 2HD2 LEU 51 -2.521 -2.947 -3.751 385 3HD2 LEU 51 3HD2 LEU 51 -3.158 -1.667 -2.719 386 H LEU 52 H LEU 52 1.120 -0.425 -1.963 387 HA LEU 52 HA LEU 52 0.592 0.712 0.702 388 1HB LEU 52 1HB LEU 52 2.774 1.321 -1.244 389 2HB LEU 52 2HB LEU 52 2.096 2.639 -0.314 390 HG LEU 52 HG LEU 52 3.018 0.232 1.159 391 1HD1 LEU 52 1HD1 LEU 52 4.719 1.139 -0.689 392 2HD1 LEU 52 2HD1 LEU 52 5.249 0.593 0.902 393 3HD1 LEU 52 3HD1 LEU 52 5.044 2.316 0.583 394 1HD2 LEU 52 1HD2 LEU 52 3.452 3.121 1.787 395 2HD2 LEU 52 2HD2 LEU 52 3.353 1.751 2.893 396 3HD2 LEU 52 3HD2 LEU 52 1.898 2.349 2.093 397 H SER 53 H SER 53 -1.195 2.046 0.603 398 HA SER 53 HA SER 53 -1.818 3.228 -2.019 399 1HB SER 53 1HB SER 53 -3.579 1.673 -0.184 400 2HB SER 53 2HB SER 53 -4.288 2.940 -1.184 401 HG SER 53 HG SER 53 -4.119 1.667 -2.837 402 H ASP 54 H ASP 54 -2.925 5.148 -2.121 403 HA ASP 54 HA ASP 54 -2.438 6.937 0.103 404 1HB ASP 54 1HB ASP 54 -2.062 7.551 -2.337 405 2HB ASP 54 2HB ASP 54 -3.811 7.576 -2.518 406 H ILE 55 H ILE 55 -4.298 8.538 0.610 407 HA ILE 55 HA ILE 55 -6.908 7.290 0.469 408 HB ILE 55 HB ILE 55 -6.116 6.313 2.468 409 1HG1 ILE 55 1HG1 ILE 55 -7.852 8.696 3.153 410 2HG1 ILE 55 2HG1 ILE 55 -8.402 7.094 2.687 411 1HG2 ILE 55 1HG2 ILE 55 -5.351 7.921 4.351 412 2HG2 ILE 55 2HG2 ILE 55 -5.025 9.027 3.024 413 3HG2 ILE 55 3HG2 ILE 55 -4.224 7.457 3.082 414 1HD1 ILE 55 1HD1 ILE 55 -6.896 7.764 5.198 415 2HD1 ILE 55 2HD1 ILE 55 -7.477 6.166 4.731 416 3HD1 ILE 55 3HD1 ILE 55 -8.627 7.458 5.075 417 H ARG 56 H ARG 56 -7.318 9.121 -0.888 418 HA ARG 56 HA ARG 56 -8.695 11.200 0.306 419 1HB ARG 56 1HB ARG 56 -6.330 11.825 1.041 420 2HB ARG 56 2HB ARG 56 -6.010 12.193 -0.645 421 1HG ARG 56 1HG ARG 56 -8.427 13.482 0.198 422 2HG ARG 56 2HG ARG 56 -7.109 13.871 1.305 423 1HD ARG 56 1HD ARG 56 -6.235 15.276 -0.177 424 2HD ARG 56 2HD ARG 56 -6.143 13.993 -1.383 425 HE ARG 56 HE ARG 56 -7.961 14.904 -2.410 426 1HH1 ARG 56 1HH1 ARG 56 -7.866 16.054 0.883 427 2HH1 ARG 56 2HH1 ARG 56 -9.196 17.142 0.673 428 1HH2 ARG 56 1HH2 ARG 56 -9.711 16.332 -2.687 429 2HH2 ARG 56 2HH2 ARG 56 -10.245 17.300 -1.354 430 H MET 57 H MET 57 -9.562 9.860 -1.703 431 HA MET 57 HA MET 57 -9.738 11.739 -3.857 432 1HB MET 57 1HB MET 57 -7.698 9.805 -4.035 433 2HB MET 57 2HB MET 57 -8.962 9.283 -5.140 434 1HG MET 57 1HG MET 57 -8.109 12.128 -5.203 435 2HG MET 57 2HG MET 57 -7.046 10.909 -5.902 436 1HE MET 57 1HE MET 57 -8.280 10.144 -9.161 437 2HE MET 57 2HE MET 57 -7.041 10.142 -7.908 438 3HE MET 57 3HE MET 57 -7.407 11.628 -8.782 439 HA PRO 58 HA PRO 58 -12.505 7.854 -4.991 440 1HB PRO 58 1HB PRO 58 -12.547 5.926 -3.022 441 2HB PRO 58 2HB PRO 58 -11.532 5.856 -4.469 442 1HG PRO 58 1HG PRO 58 -10.836 6.825 -1.717 443 2HG PRO 58 2HG PRO 58 -9.918 5.756 -2.783 444 1HD PRO 58 1HD PRO 58 -9.238 8.292 -2.597 445 2HD PRO 58 2HD PRO 58 -9.268 7.507 -4.190 446 H GLY 59 H GLY 59 -14.409 6.649 -3.655 447 1HA GLY 59 1HA GLY 59 -16.048 8.675 -2.656 448 2HA GLY 59 2HA GLY 59 -16.335 6.954 -2.447 449 H MET 60 H MET 60 -14.989 5.905 -0.688 450 HA MET 60 HA MET 60 -15.394 7.366 1.737 451 1HB MET 60 1HB MET 60 -14.882 4.634 0.980 452 2HB MET 60 2HB MET 60 -13.807 5.095 2.290 453 1HG MET 60 1HG MET 60 -15.446 4.814 3.735 454 2HG MET 60 2HG MET 60 -16.384 6.064 2.922 455 1HE MET 60 1HE MET 60 -18.400 5.580 3.241 456 2HE MET 60 2HE MET 60 -18.938 3.967 3.709 457 3HE MET 60 3HE MET 60 -19.322 4.596 2.106 458 H ASP 61 H ASP 61 -13.868 9.053 0.605 459 HA ASP 61 HA ASP 61 -11.957 10.267 0.676 460 1HB ASP 61 1HB ASP 61 -12.191 8.953 3.238 461 2HB ASP 61 2HB ASP 61 -10.494 9.156 2.810 462 H GLY 62 H GLY 62 -10.703 7.210 1.930 463 1HA GLY 62 1HA GLY 62 -9.297 6.713 -0.575 464 2HA GLY 62 2HA GLY 62 -8.313 7.009 0.840 465 H LEU 63 H LEU 63 -10.151 5.687 2.671 466 HA LEU 63 HA LEU 63 -9.070 3.121 2.579 467 1HB LEU 63 1HB LEU 63 -11.620 3.872 3.996 468 2HB LEU 63 2HB LEU 63 -10.549 2.539 4.380 469 HG LEU 63 HG LEU 63 -8.818 4.564 4.684 470 1HD1 LEU 63 1HD1 LEU 63 -10.220 6.285 6.042 471 2HD1 LEU 63 2HD1 LEU 63 -11.534 5.747 4.998 472 3HD1 LEU 63 3HD1 LEU 63 -10.077 6.443 4.293 473 1HD2 LEU 63 1HD2 LEU 63 -10.804 3.702 6.778 474 2HD2 LEU 63 2HD2 LEU 63 -9.218 4.413 7.075 475 3HD2 LEU 63 3HD2 LEU 63 -9.350 2.820 6.328 476 H ALA 64 H ALA 64 -11.733 4.491 0.907 477 HA ALA 64 HA ALA 64 -13.364 2.267 0.471 478 1HB ALA 64 1HB ALA 64 -14.484 3.601 -0.953 479 2HB ALA 64 2HB ALA 64 -13.025 4.076 -1.822 480 3HB ALA 64 3HB ALA 64 -13.435 4.857 -0.295 481 H LEU 65 H LEU 65 -10.312 3.174 -0.986 482 HA LEU 65 HA LEU 65 -10.424 1.470 -3.238 483 1HB LEU 65 1HB LEU 65 -7.899 2.230 -1.787 484 2HB LEU 65 2HB LEU 65 -8.098 1.865 -3.491 485 HG LEU 65 HG LEU 65 -9.507 4.214 -2.305 486 1HD1 LEU 65 1HD1 LEU 65 -6.636 3.883 -2.491 487 2HD1 LEU 65 2HD1 LEU 65 -7.582 5.164 -1.733 488 3HD1 LEU 65 3HD1 LEU 65 -7.215 5.241 -3.455 489 1HD2 LEU 65 1HD2 LEU 65 -9.762 3.187 -4.701 490 2HD2 LEU 65 2HD2 LEU 65 -8.275 4.080 -5.009 491 3HD2 LEU 65 3HD2 LEU 65 -9.716 4.935 -4.474 492 H LEU 66 H LEU 66 -9.292 1.019 0.052 493 HA LEU 66 HA LEU 66 -8.095 -1.496 -0.255 494 1HB LEU 66 1HB LEU 66 -9.469 -0.267 2.138 495 2HB LEU 66 2HB LEU 66 -8.532 -1.748 2.199 496 HG LEU 66 HG LEU 66 -6.574 -0.361 1.308 497 1HD1 LEU 66 1HD1 LEU 66 -7.123 2.100 2.355 498 2HD1 LEU 66 2HD1 LEU 66 -8.640 1.681 1.565 499 3HD1 LEU 66 3HD1 LEU 66 -7.141 1.692 0.639 500 1HD2 LEU 66 1HD2 LEU 66 -7.716 0.142 4.051 501 2HD2 LEU 66 2HD2 LEU 66 -6.065 0.529 3.567 502 3HD2 LEU 66 3HD2 LEU 66 -6.610 -1.147 3.575 503 H LYS 67 H LYS 67 -11.416 -0.540 0.496 504 HA LYS 67 HA LYS 67 -12.526 -3.045 0.959 505 1HB LYS 67 1HB LYS 67 -13.838 -0.747 -0.504 506 2HB LYS 67 2HB LYS 67 -14.660 -2.061 0.327 507 1HG LYS 67 1HG LYS 67 -13.791 -1.289 2.460 508 2HG LYS 67 2HG LYS 67 -12.903 0.000 1.646 509 1HD LYS 67 1HD LYS 67 -14.866 1.140 1.066 510 2HD LYS 67 2HD LYS 67 -15.879 -0.274 1.365 511 1HE LYS 67 1HE LYS 67 -14.328 0.698 3.669 512 2HE LYS 67 2HE LYS 67 -15.593 1.783 3.094 513 1HZ LYS 67 1HZ LYS 67 -17.202 0.409 3.799 514 2HZ LYS 67 2HZ LYS 67 -16.003 -0.221 4.811 515 3HZ LYS 67 3HZ LYS 67 -16.370 -0.996 3.355 516 H GLN 68 H GLN 68 -11.941 -1.360 -2.101 517 HA GLN 68 HA GLN 68 -13.169 -3.226 -3.809 518 1HB GLN 68 1HB GLN 68 -10.710 -1.662 -4.556 519 2HB GLN 68 2HB GLN 68 -12.017 -2.185 -5.602 520 1HG GLN 68 1HG GLN 68 -12.406 -0.172 -3.410 521 2HG GLN 68 2HG GLN 68 -11.917 0.277 -5.045 522 1HE2 GLN 68 1HE2 GLN 68 -14.333 0.947 -3.552 523 2HE2 GLN 68 2HE2 GLN 68 -15.656 0.394 -4.514 524 H ILE 69 H ILE 69 -10.020 -3.079 -2.324 525 HA ILE 69 HA ILE 69 -8.668 -5.004 -3.806 526 HB ILE 69 HB ILE 69 -8.335 -4.314 -0.891 527 1HG1 ILE 69 1HG1 ILE 69 -8.109 -2.379 -2.378 528 2HG1 ILE 69 2HG1 ILE 69 -6.558 -2.816 -1.671 529 1HG2 ILE 69 1HG2 ILE 69 -7.244 -6.396 -1.310 530 2HG2 ILE 69 2HG2 ILE 69 -6.019 -5.133 -1.204 531 3HG2 ILE 69 3HG2 ILE 69 -6.498 -5.765 -2.777 532 1HD1 ILE 69 1HD1 ILE 69 -6.050 -2.371 -3.883 533 2HD1 ILE 69 2HD1 ILE 69 -7.510 -3.160 -4.480 534 3HD1 ILE 69 3HD1 ILE 69 -6.183 -4.129 -3.842 535 H LYS 70 H LYS 70 -10.703 -5.367 -0.974 536 HA LYS 70 HA LYS 70 -10.221 -8.151 -0.686 537 1HB LYS 70 1HB LYS 70 -11.933 -8.098 1.017 538 2HB LYS 70 2HB LYS 70 -10.863 -6.715 1.192 539 1HG LYS 70 1HG LYS 70 -12.474 -5.214 0.655 540 2HG LYS 70 2HG LYS 70 -13.321 -6.335 -0.413 541 1HD LYS 70 1HD LYS 70 -14.436 -7.363 1.343 542 2HD LYS 70 2HD LYS 70 -13.253 -6.826 2.538 543 1HE LYS 70 1HE LYS 70 -15.381 -5.623 2.748 544 2HE LYS 70 2HE LYS 70 -14.048 -4.543 2.341 545 1HZ LYS 70 1HZ LYS 70 -15.633 -3.847 0.877 546 2HZ LYS 70 2HZ LYS 70 -16.332 -5.377 0.703 547 3HZ LYS 70 3HZ LYS 70 -14.874 -5.020 -0.077 548 H GLN 71 H GLN 71 -12.514 -6.270 -2.464 549 HA GLN 71 HA GLN 71 -14.491 -8.229 -2.819 550 1HB GLN 71 1HB GLN 71 -13.813 -5.648 -4.039 551 2HB GLN 71 2HB GLN 71 -14.679 -6.751 -5.100 552 1HG GLN 71 1HG GLN 71 -16.583 -6.685 -3.851 553 2HG GLN 71 2HG GLN 71 -15.718 -6.364 -2.349 554 1HE2 GLN 71 1HE2 GLN 71 -14.455 -4.173 -2.519 555 2HE2 GLN 71 2HE2 GLN 71 -15.417 -2.839 -3.049 556 H ARG 72 H ARG 72 -11.638 -7.441 -4.692 557 HA ARG 72 HA ARG 72 -12.121 -9.774 -6.398 558 1HB ARG 72 1HB ARG 72 -10.852 -7.170 -6.812 559 2HB ARG 72 2HB ARG 72 -9.933 -8.515 -7.472 560 1HG ARG 72 1HG ARG 72 -11.712 -9.160 -8.887 561 2HG ARG 72 2HG ARG 72 -12.850 -8.096 -8.057 562 1HD ARG 72 1HD ARG 72 -11.360 -6.179 -8.797 563 2HD ARG 72 2HD ARG 72 -10.558 -7.338 -9.851 564 HE ARG 72 HE ARG 72 -12.693 -7.646 -10.982 565 1HH1 ARG 72 1HH1 ARG 72 -12.382 -4.810 -8.952 566 2HH1 ARG 72 2HH1 ARG 72 -13.632 -3.943 -9.774 567 1HH2 ARG 72 1HH2 ARG 72 -14.331 -6.493 -12.052 568 2HH2 ARG 72 2HH2 ARG 72 -14.737 -4.893 -11.527 569 H HIS 73 H HIS 73 -9.532 -8.205 -4.609 570 HA HIS 73 HA HIS 73 -7.889 -10.595 -4.741 571 1HB HIS 73 1HB HIS 73 -7.157 -8.139 -3.173 572 2HB HIS 73 2HB HIS 73 -6.104 -9.248 -4.054 573 HD1 HIS 73 HD1 HIS 73 -7.132 -9.226 -6.823 574 HD2 HIS 73 HD2 HIS 73 -7.097 -5.783 -4.507 575 HE1 HIS 73 HE1 HIS 73 -7.259 -7.319 -8.454 576 HE2 HIS 73 HE2 HIS 73 -7.163 -5.241 -7.033 577 HA PRO 74 HA PRO 74 -9.368 -12.459 -1.015 578 1HB PRO 74 1HB PRO 74 -6.884 -13.463 -0.178 579 2HB PRO 74 2HB PRO 74 -8.056 -14.294 -1.203 580 1HG PRO 74 1HG PRO 74 -5.617 -12.760 -1.968 581 2HG PRO 74 2HG PRO 74 -6.306 -14.221 -2.702 582 1HD PRO 74 1HD PRO 74 -6.580 -11.831 -3.866 583 2HD PRO 74 2HD PRO 74 -7.905 -13.015 -3.890 584 H MET 75 H MET 75 -6.035 -11.616 -0.177 585 HA MET 75 HA MET 75 -7.002 -9.571 1.682 586 1HB MET 75 1HB MET 75 -5.443 -12.044 2.416 587 2HB MET 75 2HB MET 75 -5.377 -10.591 3.404 588 1HG MET 75 1HG MET 75 -7.758 -10.700 3.789 589 2HG MET 75 2HG MET 75 -7.894 -12.089 2.713 590 1HE MET 75 1HE MET 75 -8.738 -14.097 4.150 591 2HE MET 75 2HE MET 75 -7.424 -15.016 4.884 592 3HE MET 75 3HE MET 75 -7.273 -14.432 3.225 593 H LEU 76 H LEU 76 -5.835 -8.857 -0.577 594 HA LEU 76 HA LEU 76 -3.065 -8.829 -0.765 595 1HB LEU 76 1HB LEU 76 -4.849 -8.036 -2.442 596 2HB LEU 76 2HB LEU 76 -4.781 -6.511 -1.583 597 HG LEU 76 HG LEU 76 -3.409 -6.710 -3.707 598 1HD1 LEU 76 1HD1 LEU 76 -1.587 -5.939 -1.524 599 2HD1 LEU 76 2HD1 LEU 76 -3.182 -5.182 -1.528 600 3HD1 LEU 76 3HD1 LEU 76 -2.127 -5.027 -2.935 601 1HD2 LEU 76 1HD2 LEU 76 -1.179 -7.831 -2.183 602 2HD2 LEU 76 2HD2 LEU 76 -1.676 -8.112 -3.850 603 3HD2 LEU 76 3HD2 LEU 76 -2.466 -8.983 -2.541 604 HA PRO 77 HA PRO 77 -2.225 -6.368 2.928 605 1HB PRO 77 1HB PRO 77 0.554 -6.592 1.951 606 2HB PRO 77 2HB PRO 77 -0.129 -7.048 3.515 607 1HG PRO 77 1HG PRO 77 0.595 -8.898 1.721 608 2HG PRO 77 2HG PRO 77 -0.827 -9.117 2.757 609 1HD PRO 77 1HD PRO 77 -0.684 -8.304 -0.121 610 2HD PRO 77 2HD PRO 77 -1.830 -9.395 0.687 611 H VAL 78 H VAL 78 -2.692 -4.299 2.753 612 HA VAL 78 HA VAL 78 -1.185 -2.609 0.880 613 HB VAL 78 HB VAL 78 -3.923 -1.878 1.870 614 1HG1 VAL 78 1HG1 VAL 78 -3.698 -0.910 -0.640 615 2HG1 VAL 78 2HG1 VAL 78 -2.008 -0.903 -0.134 616 3HG1 VAL 78 3HG1 VAL 78 -3.213 -0.030 0.809 617 1HG2 VAL 78 1HG2 VAL 78 -4.850 -3.575 0.762 618 2HG2 VAL 78 2HG2 VAL 78 -3.301 -4.060 0.075 619 3HG2 VAL 78 3HG2 VAL 78 -4.271 -2.824 -0.725 620 H ILE 79 H ILE 79 -0.718 -0.479 1.590 621 HA ILE 79 HA ILE 79 -1.001 -0.020 4.481 622 HB ILE 79 HB ILE 79 1.487 0.608 2.902 623 1HG1 ILE 79 1HG1 ILE 79 1.783 -1.335 5.041 624 2HG1 ILE 79 2HG1 ILE 79 0.669 -1.898 3.801 625 1HG2 ILE 79 1HG2 ILE 79 0.594 1.799 5.167 626 2HG2 ILE 79 2HG2 ILE 79 2.293 1.652 4.720 627 3HG2 ILE 79 3HG2 ILE 79 1.569 0.489 5.830 628 1HD1 ILE 79 1HD1 ILE 79 2.317 -2.277 2.357 629 2HD1 ILE 79 2HD1 ILE 79 3.397 -2.115 3.741 630 3HD1 ILE 79 3HD1 ILE 79 3.087 -0.727 2.697 631 H ILE 80 H ILE 80 -2.109 1.786 4.793 632 HA ILE 80 HA ILE 80 -2.212 3.771 2.674 633 HB ILE 80 HB ILE 80 -3.833 3.788 5.205 634 1HG1 ILE 80 1HG1 ILE 80 -4.187 1.641 4.114 635 2HG1 ILE 80 2HG1 ILE 80 -5.597 2.663 3.865 636 1HG2 ILE 80 1HG2 ILE 80 -5.370 4.832 3.240 637 2HG2 ILE 80 2HG2 ILE 80 -3.766 5.347 2.717 638 3HG2 ILE 80 3HG2 ILE 80 -4.357 5.784 4.317 639 1HD1 ILE 80 1HD1 ILE 80 -5.396 2.521 1.669 640 2HD1 ILE 80 2HD1 ILE 80 -4.151 1.302 1.931 641 3HD1 ILE 80 3HD1 ILE 80 -3.702 2.995 1.728 642 H MET 81 H MET 81 -1.871 5.954 2.951 643 HA MET 81 HA MET 81 0.238 6.595 4.831 644 1HB MET 81 1HB MET 81 -0.238 8.946 3.513 645 2HB MET 81 2HB MET 81 0.925 7.725 3.042 646 1HG MET 81 1HG MET 81 -1.739 7.204 1.989 647 2HG MET 81 2HG MET 81 -1.086 8.754 1.489 648 1HE MET 81 1HE MET 81 0.200 5.380 2.404 649 2HE MET 81 2HE MET 81 1.539 5.108 1.294 650 3HE MET 81 3HE MET 81 -0.089 4.595 0.855 651 H THR 82 H THR 82 -3.152 7.069 4.713 652 HA THR 82 HA THR 82 -2.971 8.608 7.173 653 HB THR 82 HB THR 82 -4.784 9.605 4.984 654 HG1 THR 82 HG1 THR 82 -3.205 10.673 4.128 655 1HG2 THR 82 1HG2 THR 82 -4.823 11.654 6.202 656 2HG2 THR 82 2HG2 THR 82 -3.630 11.048 7.350 657 3HG2 THR 82 3HG2 THR 82 -5.242 10.340 7.296 658 H ALA 83 H ALA 83 -5.079 8.726 8.315 659 HA ALA 83 HA ALA 83 -6.723 6.380 7.627 660 1HB ALA 83 1HB ALA 83 -5.366 6.751 9.924 661 2HB ALA 83 2HB ALA 83 -6.838 5.788 9.786 662 3HB ALA 83 3HB ALA 83 -6.924 7.456 10.356 663 H HIS 84 H HIS 84 -6.750 9.784 8.226 664 HA HIS 84 HA HIS 84 -8.399 11.354 8.293 665 1HB HIS 84 1HB HIS 84 -9.173 9.415 6.157 666 2HB HIS 84 2HB HIS 84 -10.245 10.762 6.520 667 HD1 HIS 84 HD1 HIS 84 -7.601 12.641 7.108 668 HD2 HIS 84 HD2 HIS 84 -8.609 10.580 3.645 669 HE1 HIS 84 HE1 HIS 84 -6.375 13.807 5.253 670 HE2 HIS 84 HE2 HIS 84 -7.085 12.612 3.153 671 H SER 85 H SER 85 -11.095 11.380 8.092 672 HA SER 85 HA SER 85 -11.882 10.179 10.595 673 1HB SER 85 1HB SER 85 -12.584 12.499 9.244 674 2HB SER 85 2HB SER 85 -14.017 11.483 9.089 675 HG SER 85 HG SER 85 -13.848 11.179 11.414 676 H ASP 86 H ASP 86 -11.368 8.084 9.071 677 HA ASP 86 HA ASP 86 -13.926 6.792 8.824 678 1HB ASP 86 1HB ASP 86 -12.175 7.133 6.380 679 2HB ASP 86 2HB ASP 86 -13.541 6.028 6.483 680 H LEU 87 H LEU 87 -11.407 6.563 10.338 681 HA LEU 87 HA LEU 87 -9.687 4.588 9.597 682 1HB LEU 87 1HB LEU 87 -10.580 5.741 12.092 683 2HB LEU 87 2HB LEU 87 -10.185 4.044 12.290 684 HG LEU 87 HG LEU 87 -8.309 6.036 11.035 685 1HD1 LEU 87 1HD1 LEU 87 -8.737 5.285 13.890 686 2HD1 LEU 87 2HD1 LEU 87 -8.425 6.868 13.179 687 3HD1 LEU 87 3HD1 LEU 87 -7.119 5.691 13.317 688 1HD2 LEU 87 1HD2 LEU 87 -6.730 4.122 11.959 689 2HD2 LEU 87 2HD2 LEU 87 -7.491 4.012 10.372 690 3HD2 LEU 87 3HD2 LEU 87 -8.189 3.156 11.746 691 H ASP 88 H ASP 88 -13.032 4.177 10.274 692 HA ASP 88 HA ASP 88 -13.262 1.617 11.191 693 1HB ASP 88 1HB ASP 88 -14.916 3.255 9.318 694 2HB ASP 88 2HB ASP 88 -15.336 1.563 9.569 695 H ALA 89 H ALA 89 -13.114 2.487 7.716 696 HA ALA 89 HA ALA 89 -12.996 -0.183 6.827 697 1HB ALA 89 1HB ALA 89 -13.689 1.484 5.287 698 2HB ALA 89 2HB ALA 89 -12.172 0.819 4.677 699 3HB ALA 89 3HB ALA 89 -12.189 2.386 5.490 700 H ALA 90 H ALA 90 -10.606 1.852 8.206 701 HA ALA 90 HA ALA 90 -8.296 0.756 7.014 702 1HB ALA 90 1HB ALA 90 -8.463 1.913 9.788 703 2HB ALA 90 2HB ALA 90 -8.390 2.889 8.320 704 3HB ALA 90 3HB ALA 90 -7.047 1.821 8.739 705 H VAL 91 H VAL 91 -9.888 -0.009 10.129 706 HA VAL 91 HA VAL 91 -8.110 -2.099 10.778 707 HB VAL 91 HB VAL 91 -10.949 -2.040 11.745 708 1HG1 VAL 91 1HG1 VAL 91 -10.141 -3.810 12.854 709 2HG1 VAL 91 2HG1 VAL 91 -9.245 -2.643 13.826 710 3HG1 VAL 91 3HG1 VAL 91 -8.470 -3.414 12.439 711 1HG2 VAL 91 1HG2 VAL 91 -10.095 -0.583 13.604 712 2HG2 VAL 91 2HG2 VAL 91 -10.215 0.217 12.037 713 3HG2 VAL 91 3HG2 VAL 91 -8.644 -0.312 12.640 714 H SER 92 H SER 92 -11.348 -2.149 9.324 715 HA SER 92 HA SER 92 -11.541 -4.927 9.027 716 1HB SER 92 1HB SER 92 -12.713 -3.054 6.990 717 2HB SER 92 2HB SER 92 -13.394 -4.540 7.656 718 HG SER 92 HG SER 92 -13.325 -3.216 9.730 719 H ALA 93 H ALA 93 -9.730 -2.550 7.289 720 HA ALA 93 HA ALA 93 -9.346 -3.907 4.870 721 1HB ALA 93 1HB ALA 93 -8.754 -1.527 5.279 722 2HB ALA 93 2HB ALA 93 -7.481 -2.461 4.497 723 3HB ALA 93 3HB ALA 93 -7.368 -2.086 6.215 724 H TYR 94 H TYR 94 -7.370 -3.823 7.786 725 HA TYR 94 HA TYR 94 -5.386 -5.604 6.978 726 1HB TYR 94 1HB TYR 94 -6.355 -5.617 9.817 727 2HB TYR 94 2HB TYR 94 -4.708 -5.726 9.211 728 HD1 TYR 94 HD1 TYR 94 -6.573 -3.742 11.154 729 HD2 TYR 94 HD2 TYR 94 -4.352 -3.445 7.538 730 HE1 TYR 94 HE1 TYR 94 -6.270 -1.332 11.540 731 HE2 TYR 94 HE2 TYR 94 -4.047 -1.040 7.913 732 HH TYR 94 HH TYR 94 -4.974 0.492 10.908 733 H GLN 95 H GLN 95 -8.595 -6.122 8.104 734 HA GLN 95 HA GLN 95 -8.346 -8.938 8.557 735 1HB GLN 95 1HB GLN 95 -10.024 -7.906 9.819 736 2HB GLN 95 2HB GLN 95 -10.603 -6.962 8.458 737 1HG GLN 95 1HG GLN 95 -11.093 -9.543 7.651 738 2HG GLN 95 2HG GLN 95 -11.397 -9.604 9.385 739 1HE2 GLN 95 1HE2 GLN 95 -11.901 -7.038 6.993 740 2HE2 GLN 95 2HE2 GLN 95 -13.592 -6.853 7.292 741 H GLN 96 H GLN 96 -9.432 -6.870 5.919 742 HA GLN 96 HA GLN 96 -10.035 -9.209 4.306 743 1HB GLN 96 1HB GLN 96 -11.141 -7.698 2.788 744 2HB GLN 96 2HB GLN 96 -11.724 -7.436 4.422 745 1HG GLN 96 1HG GLN 96 -9.654 -5.659 4.242 746 2HG GLN 96 2HG GLN 96 -10.328 -5.623 2.616 747 1HE2 GLN 96 1HE2 GLN 96 -10.704 -3.354 3.437 748 2HE2 GLN 96 2HE2 GLN 96 -12.220 -3.049 4.208 749 H GLY 97 H GLY 97 -7.316 -7.557 4.925 750 1HA GLY 97 1HA GLY 97 -5.440 -8.292 3.451 751 2HA GLY 97 2HA GLY 97 -6.414 -7.703 2.114 752 H ALA 98 H ALA 98 -4.615 -6.728 4.983 753 HA ALA 98 HA ALA 98 -3.552 -4.458 3.686 754 1HB ALA 98 1HB ALA 98 -5.126 -2.951 4.065 755 2HB ALA 98 2HB ALA 98 -4.726 -3.070 5.776 756 3HB ALA 98 3HB ALA 98 -6.017 -4.055 5.101 757 H PHE 99 H PHE 99 -1.598 -4.092 4.522 758 HA PHE 99 HA PHE 99 -0.656 -5.570 6.724 759 1HB PHE 99 1HB PHE 99 0.828 -4.846 4.919 760 2HB PHE 99 2HB PHE 99 0.577 -3.161 5.370 761 HD1 PHE 99 HD1 PHE 99 1.768 -6.386 6.809 762 HD2 PHE 99 HD2 PHE 99 2.084 -2.142 6.788 763 HE1 PHE 99 HE1 PHE 99 3.665 -6.522 8.370 764 HE2 PHE 99 HE2 PHE 99 3.984 -2.271 8.345 765 HZ PHE 99 HZ PHE 99 4.776 -4.463 9.139 766 H ASP 100 H ASP 100 -1.228 -2.062 6.396 767 HA ASP 100 HA ASP 100 -2.363 -1.721 8.912 768 1HB ASP 100 1HB ASP 100 0.367 -2.208 9.156 769 2HB ASP 100 2HB ASP 100 0.221 -0.461 9.314 770 H TYR 101 H TYR 101 -1.581 0.769 9.677 771 HA TYR 101 HA TYR 101 -1.934 2.412 7.255 772 1HB TYR 101 1HB TYR 101 -3.511 2.314 9.752 773 2HB TYR 101 2HB TYR 101 -3.097 3.931 9.199 774 HD1 TYR 101 HD1 TYR 101 -4.475 0.732 7.852 775 HD2 TYR 101 HD2 TYR 101 -4.548 4.979 7.732 776 HE1 TYR 101 HE1 TYR 101 -6.331 0.644 6.246 777 HE2 TYR 101 HE2 TYR 101 -6.414 4.903 6.131 778 HH TYR 101 HH TYR 101 -7.336 3.317 4.457 779 H LEU 102 H LEU 102 -0.255 3.736 6.956 780 HA LEU 102 HA LEU 102 1.383 4.485 9.272 781 1HB LEU 102 1HB LEU 102 2.568 3.379 7.456 782 2HB LEU 102 2HB LEU 102 1.963 4.558 6.308 783 HG LEU 102 HG LEU 102 3.227 6.238 7.955 784 1HD1 LEU 102 1HD1 LEU 102 5.456 5.034 8.453 785 2HD1 LEU 102 2HD1 LEU 102 4.495 3.557 8.378 786 3HD1 LEU 102 3HD1 LEU 102 4.104 4.804 9.563 787 1HD2 LEU 102 1HD2 LEU 102 4.519 4.578 5.801 788 2HD2 LEU 102 2HD2 LEU 102 5.141 6.106 6.424 789 3HD2 LEU 102 3HD2 LEU 102 3.596 6.060 5.583 790 HA PRO 103 HA PRO 103 -0.327 8.584 9.358 791 1HB PRO 103 1HB PRO 103 2.095 9.858 10.014 792 2HB PRO 103 2HB PRO 103 0.887 9.260 11.148 793 1HG PRO 103 1HG PRO 103 3.416 7.990 10.223 794 2HG PRO 103 2HG PRO 103 2.638 7.923 11.815 795 1HD PRO 103 1HD PRO 103 2.531 5.846 10.137 796 2HD PRO 103 2HD PRO 103 1.131 6.281 11.142 797 H LYS 104 H LYS 104 0.029 10.735 8.332 798 HA LYS 104 HA LYS 104 0.270 10.668 5.644 799 1HB LYS 104 1HB LYS 104 -0.459 12.644 6.983 800 2HB LYS 104 2HB LYS 104 1.235 13.011 7.284 801 1HG LYS 104 1HG LYS 104 0.226 14.342 5.451 802 2HG LYS 104 2HG LYS 104 1.637 13.405 4.960 803 1HD LYS 104 1HD LYS 104 -0.858 11.938 4.623 804 2HD LYS 104 2HD LYS 104 -0.825 13.439 3.699 805 1HE LYS 104 1HE LYS 104 1.408 12.733 2.801 806 2HE LYS 104 2HE LYS 104 1.159 11.175 3.584 807 1HZ LYS 104 1HZ LYS 104 -0.892 10.936 2.262 808 2HZ LYS 104 2HZ LYS 104 0.501 11.014 1.303 809 3HZ LYS 104 3HZ LYS 104 -0.511 12.364 1.441 810 HA PRO 105 HA PRO 105 5.089 11.838 6.001 811 1HB PRO 105 1HB PRO 105 6.077 10.150 8.043 812 2HB PRO 105 2HB PRO 105 6.009 11.913 8.078 813 1HG PRO 105 1HG PRO 105 4.142 9.920 9.261 814 2HG PRO 105 2HG PRO 105 4.598 11.528 9.853 815 1HD PRO 105 1HD PRO 105 2.218 11.105 8.726 816 2HD PRO 105 2HD PRO 105 3.107 12.610 8.430 817 H PHE 106 H PHE 106 6.766 10.319 5.197 818 HA PHE 106 HA PHE 106 6.286 7.541 5.119 819 1HB PHE 106 1HB PHE 106 4.744 9.073 3.292 820 2HB PHE 106 2HB PHE 106 5.944 8.190 2.357 821 HD1 PHE 106 HD1 PHE 106 6.249 5.684 3.236 822 HD2 PHE 106 HD2 PHE 106 2.711 8.005 3.593 823 HE1 PHE 106 HE1 PHE 106 4.921 3.621 3.389 824 HE2 PHE 106 HE2 PHE 106 1.385 5.948 3.740 825 HZ PHE 106 HZ PHE 106 2.476 3.762 3.651 826 H ASP 107 H ASP 107 7.344 9.330 2.247 827 HA ASP 107 HA ASP 107 9.320 9.142 1.099 828 1HB ASP 107 1HB ASP 107 11.260 10.039 2.324 829 2HB ASP 107 2HB ASP 107 9.813 10.998 2.616 830 H ILE 108 H ILE 108 11.856 8.289 1.712 831 HA ILE 108 HA ILE 108 11.512 5.488 1.666 832 HB ILE 108 HB ILE 108 13.770 7.330 1.455 833 1HG1 ILE 108 1HG1 ILE 108 14.275 6.023 -0.481 834 2HG1 ILE 108 2HG1 ILE 108 13.216 4.725 0.063 835 1HG2 ILE 108 1HG2 ILE 108 14.113 4.639 2.677 836 2HG2 ILE 108 2HG2 ILE 108 14.962 6.145 3.013 837 3HG2 ILE 108 3HG2 ILE 108 15.327 5.235 1.549 838 1HD1 ILE 108 1HD1 ILE 108 12.233 7.486 -0.579 839 2HD1 ILE 108 2HD1 ILE 108 11.279 6.031 -0.324 840 3HD1 ILE 108 3HD1 ILE 108 12.297 6.178 -1.748 841 H ASP 109 H ASP 109 12.785 7.667 4.073 842 HA ASP 109 HA ASP 109 13.631 5.860 5.957 843 1HB ASP 109 1HB ASP 109 13.696 8.466 5.938 844 2HB ASP 109 2HB ASP 109 12.172 8.339 6.811 845 H GLU 110 H GLU 110 10.388 7.382 5.911 846 HA GLU 110 HA GLU 110 9.437 5.589 7.897 847 1HB GLU 110 1HB GLU 110 7.846 7.532 6.233 848 2HB GLU 110 2HB GLU 110 7.322 6.758 7.718 849 1HG GLU 110 1HG GLU 110 9.831 8.213 7.993 850 2HG GLU 110 2HG GLU 110 8.472 9.228 7.509 851 H ALA 111 H ALA 111 9.312 5.571 4.400 852 HA ALA 111 HA ALA 111 7.215 3.585 4.405 853 1HB ALA 111 1HB ALA 111 6.887 4.121 2.290 854 2HB ALA 111 2HB ALA 111 8.568 3.791 1.870 855 3HB ALA 111 3HB ALA 111 8.105 5.374 2.489 856 H VAL 112 H VAL 112 10.622 3.644 3.316 857 HA VAL 112 HA VAL 112 10.864 0.923 2.849 858 HB VAL 112 HB VAL 112 13.046 2.671 3.969 859 1HG1 VAL 112 1HG1 VAL 112 13.801 0.629 2.059 860 2HG1 VAL 112 2HG1 VAL 112 12.976 -0.061 3.461 861 3HG1 VAL 112 3HG1 VAL 112 14.417 0.935 3.685 862 1HG2 VAL 112 1HG2 VAL 112 11.794 2.521 1.295 863 2HG2 VAL 112 2HG2 VAL 112 13.556 2.599 1.339 864 3HG2 VAL 112 3HG2 VAL 112 12.598 3.867 2.099 865 H ALA 113 H ALA 113 10.912 2.723 5.800 866 HA ALA 113 HA ALA 113 11.974 0.789 7.539 867 1HB ALA 113 1HB ALA 113 11.669 2.455 8.993 868 2HB ALA 113 2HB ALA 113 9.918 2.310 8.823 869 3HB ALA 113 3HB ALA 113 10.822 3.356 7.736 870 H LEU 114 H LEU 114 8.648 1.648 6.747 871 HA LEU 114 HA LEU 114 7.497 -0.505 8.181 872 1HB LEU 114 1HB LEU 114 6.402 1.681 7.761 873 2HB LEU 114 2HB LEU 114 6.246 1.235 6.073 874 HG LEU 114 HG LEU 114 4.948 -0.823 6.978 875 1HD1 LEU 114 1HD1 LEU 114 5.238 0.887 9.377 876 2HD1 LEU 114 2HD1 LEU 114 5.085 -0.865 9.240 877 3HD1 LEU 114 3HD1 LEU 114 3.656 0.158 9.091 878 1HD2 LEU 114 1HD2 LEU 114 3.667 0.576 5.713 879 2HD2 LEU 114 2HD2 LEU 114 4.053 1.996 6.685 880 3HD2 LEU 114 3HD2 LEU 114 2.898 0.804 7.284 881 H VAL 115 H VAL 115 8.762 -0.258 4.968 882 HA VAL 115 HA VAL 115 7.118 -2.377 3.940 883 HB VAL 115 HB VAL 115 8.083 -0.588 2.469 884 1HG1 VAL 115 1HG1 VAL 115 10.383 -0.768 3.495 885 2HG1 VAL 115 2HG1 VAL 115 10.322 -0.674 1.740 886 3HG1 VAL 115 3HG1 VAL 115 10.602 -2.224 2.535 887 1HG2 VAL 115 1HG2 VAL 115 8.959 -3.231 1.413 888 2HG2 VAL 115 2HG2 VAL 115 8.032 -1.953 0.632 889 3HG2 VAL 115 3HG2 VAL 115 7.263 -2.992 1.829 890 H GLU 116 H GLU 116 10.553 -2.127 4.846 891 HA GLU 116 HA GLU 116 11.156 -4.834 4.341 892 1HB GLU 116 1HB GLU 116 12.454 -2.732 6.066 893 2HB GLU 116 2HB GLU 116 13.093 -4.367 5.955 894 1HG GLU 116 1HG GLU 116 13.196 -4.034 3.462 895 2HG GLU 116 2HG GLU 116 12.837 -2.335 3.760 896 H ARG 117 H ARG 117 10.087 -3.125 7.240 897 HA ARG 117 HA ARG 117 10.270 -5.340 8.984 898 1HB ARG 117 1HB ARG 117 8.634 -2.809 9.141 899 2HB ARG 117 2HB ARG 117 8.744 -3.983 10.444 900 1HG ARG 117 1HG ARG 117 11.376 -3.267 9.576 901 2HG ARG 117 2HG ARG 117 10.443 -1.811 9.927 902 1HD ARG 117 1HD ARG 117 11.548 -2.499 11.938 903 2HD ARG 117 2HD ARG 117 9.822 -2.812 12.114 904 HE ARG 117 HE ARG 117 11.539 -5.008 11.241 905 1HH1 ARG 117 1HH1 ARG 117 9.652 -3.532 13.788 906 2HH1 ARG 117 2HH1 ARG 117 9.564 -4.983 14.727 907 1HH2 ARG 117 1HH2 ARG 117 11.421 -6.908 12.482 908 2HH2 ARG 117 2HH2 ARG 117 10.568 -6.896 13.989 909 H ALA 118 H ALA 118 7.932 -4.349 6.653 910 HA ALA 118 HA ALA 118 5.746 -5.843 7.699 911 1HB ALA 118 1HB ALA 118 6.154 -4.802 4.900 912 2HB ALA 118 2HB ALA 118 5.414 -3.905 6.227 913 3HB ALA 118 3HB ALA 118 4.633 -5.355 5.599 914 H ILE 119 H ILE 119 7.910 -6.345 4.910 915 HA ILE 119 HA ILE 119 6.942 -8.900 4.258 916 HB ILE 119 HB ILE 119 9.737 -7.876 3.778 917 1HG1 ILE 119 1HG1 ILE 119 7.687 -7.659 1.653 918 2HG1 ILE 119 2HG1 ILE 119 7.515 -6.541 3.003 919 1HG2 ILE 119 1HG2 ILE 119 8.063 -9.991 2.447 920 2HG2 ILE 119 2HG2 ILE 119 9.607 -10.190 3.274 921 3HG2 ILE 119 3HG2 ILE 119 9.534 -9.325 1.737 922 1HD1 ILE 119 1HD1 ILE 119 10.033 -6.881 1.401 923 2HD1 ILE 119 2HD1 ILE 119 9.698 -5.655 2.626 924 3HD1 ILE 119 3HD1 ILE 119 8.815 -5.642 1.100 925 H SER 120 H SER 120 9.288 -7.781 6.550 926 HA SER 120 HA SER 120 10.523 -10.266 7.100 927 1HB SER 120 1HB SER 120 10.425 -7.594 8.434 928 2HB SER 120 2HB SER 120 11.020 -8.972 9.359 929 HG SER 120 HG SER 120 12.106 -8.869 6.864 930 H HIS 121 H HIS 121 7.750 -8.568 8.446 931 HA HIS 121 HA HIS 121 7.322 -10.276 10.649 932 1HB HIS 121 1HB HIS 121 5.621 -8.313 9.156 933 2HB HIS 121 2HB HIS 121 4.886 -9.361 10.365 934 HD1 HIS 121 HD1 HIS 121 8.319 -8.262 11.138 935 HD2 HIS 121 HD2 HIS 121 4.441 -6.962 11.873 936 HE1 HIS 121 HE1 HIS 121 8.517 -6.559 12.978 937 HE2 HIS 121 HE2 HIS 121 6.170 -5.721 13.343 938 H TYR 122 H TYR 122 6.477 -10.488 7.298 939 HA TYR 122 HA TYR 122 4.482 -12.482 7.536 940 1HB TYR 122 1HB TYR 122 6.121 -11.385 5.289 941 2HB TYR 122 2HB TYR 122 5.222 -12.878 5.039 942 HD1 TYR 122 HD1 TYR 122 5.072 -9.446 4.635 943 HD2 TYR 122 HD2 TYR 122 2.685 -12.701 5.977 944 HE1 TYR 122 HE1 TYR 122 3.040 -8.136 4.181 945 HE2 TYR 122 HE2 TYR 122 0.648 -11.402 5.528 946 HH TYR 122 HH TYR 122 -0.185 -9.534 4.585 947 H GLN 123 H GLN 123 7.976 -12.573 7.104 948 HA GLN 123 HA GLN 123 8.089 -15.395 6.702 949 1HB GLN 123 1HB GLN 123 9.820 -13.384 6.198 950 2HB GLN 123 2HB GLN 123 10.496 -14.000 7.700 951 1HG GLN 123 1HG GLN 123 11.208 -15.913 6.756 952 2HG GLN 123 2HG GLN 123 9.818 -16.026 5.677 953 1HE2 GLN 123 1HE2 GLN 123 12.317 -13.553 6.145 954 2HE2 GLN 123 2HE2 GLN 123 12.842 -13.526 4.499 955 H GLU 124 H GLU 124 10.061 -16.320 8.328 956 HA GLU 124 HA GLU 124 8.635 -16.672 10.814 957 1HB GLU 124 1HB GLU 124 10.224 -18.308 9.303 958 2HB GLU 124 2HB GLU 124 11.323 -17.842 10.592 959 1HG GLU 124 1HG GLU 124 9.982 -18.794 12.243 960 2HG GLU 124 2HG GLU 124 8.571 -18.856 11.189 Start of MODEL 4 1 1H MET 1 1H MET 1 7.578 -16.400 -0.104 2 2H MET 1 2H MET 1 8.982 -17.179 -0.711 3 3H MET 1 3H MET 1 7.889 -18.035 0.299 4 HA MET 1 HA MET 1 7.505 -18.759 -1.853 5 1HB MET 1 1HB MET 1 5.585 -17.067 -0.430 6 2HB MET 1 2HB MET 1 5.208 -17.250 -2.138 7 1HG MET 1 1HG MET 1 4.148 -19.100 -1.484 8 2HG MET 1 2HG MET 1 5.761 -19.810 -1.452 9 1HE MET 1 1HE MET 1 5.500 -21.621 1.331 10 2HE MET 1 2HE MET 1 6.846 -20.516 1.610 11 3HE MET 1 3HE MET 1 6.463 -21.044 -0.029 12 H GLN 2 H GLN 2 6.604 -15.307 -1.986 13 HA GLN 2 HA GLN 2 7.377 -15.231 -4.789 14 1HB GLN 2 1HB GLN 2 5.369 -13.999 -3.355 15 2HB GLN 2 2HB GLN 2 6.538 -12.706 -3.576 16 1HG GLN 2 1HG GLN 2 5.634 -12.370 -5.565 17 2HG GLN 2 2HG GLN 2 6.380 -13.884 -6.068 18 1HE2 GLN 2 1HE2 GLN 2 4.926 -14.841 -7.313 19 2HE2 GLN 2 2HE2 GLN 2 3.280 -15.144 -6.886 20 H ARG 3 H ARG 3 8.707 -13.469 -5.623 21 HA ARG 3 HA ARG 3 11.183 -13.317 -4.306 22 1HB ARG 3 1HB ARG 3 11.735 -11.611 -6.088 23 2HB ARG 3 2HB ARG 3 11.222 -13.190 -6.663 24 1HG ARG 3 1HG ARG 3 8.846 -11.913 -6.635 25 2HG ARG 3 2HG ARG 3 9.928 -10.555 -6.936 26 1HD ARG 3 1HD ARG 3 9.739 -11.178 -9.087 27 2HD ARG 3 2HD ARG 3 10.939 -12.393 -8.648 28 HE ARG 3 HE ARG 3 9.355 -13.983 -9.026 29 1HH1 ARG 3 1HH1 ARG 3 7.731 -10.973 -8.337 30 2HH1 ARG 3 2HH1 ARG 3 6.147 -11.620 -8.608 31 1HH2 ARG 3 1HH2 ARG 3 7.270 -14.836 -9.389 32 2HH2 ARG 3 2HH2 ARG 3 5.884 -13.812 -9.205 33 H GLY 4 H GLY 4 9.003 -10.672 -5.105 34 1HA GLY 4 1HA GLY 4 8.618 -9.385 -2.797 35 2HA GLY 4 2HA GLY 4 10.286 -8.956 -3.153 36 H ILE 5 H ILE 5 7.019 -8.311 -3.781 37 HA ILE 5 HA ILE 5 7.781 -6.290 -5.786 38 HB ILE 5 HB ILE 5 5.157 -7.767 -5.826 39 1HG1 ILE 5 1HG1 ILE 5 6.991 -9.390 -6.180 40 2HG1 ILE 5 2HG1 ILE 5 6.046 -9.144 -7.646 41 1HG2 ILE 5 1HG2 ILE 5 5.866 -6.859 -8.369 42 2HG2 ILE 5 2HG2 ILE 5 6.291 -5.547 -7.269 43 3HG2 ILE 5 3HG2 ILE 5 4.645 -6.180 -7.294 44 1HD1 ILE 5 1HD1 ILE 5 8.252 -7.313 -7.556 45 2HD1 ILE 5 2HD1 ILE 5 7.846 -8.528 -8.766 46 3HD1 ILE 5 3HD1 ILE 5 8.805 -8.972 -7.355 47 H VAL 6 H VAL 6 7.486 -4.357 -4.874 48 HA VAL 6 HA VAL 6 5.202 -3.990 -3.051 49 HB VAL 6 HB VAL 6 7.478 -3.431 -2.131 50 1HG1 VAL 6 1HG1 VAL 6 8.376 -1.184 -2.877 51 2HG1 VAL 6 2HG1 VAL 6 7.343 -1.335 -4.288 52 3HG1 VAL 6 3HG1 VAL 6 8.609 -2.520 -3.999 53 1HG2 VAL 6 1HG2 VAL 6 6.236 -0.819 -2.026 54 2HG2 VAL 6 2HG2 VAL 6 6.388 -2.040 -0.765 55 3HG2 VAL 6 3HG2 VAL 6 5.035 -2.104 -1.892 56 H TRP 7 H TRP 7 3.648 -2.525 -3.510 57 HA TRP 7 HA TRP 7 4.041 -0.868 -5.909 58 1HB TRP 7 1HB TRP 7 1.650 -2.495 -5.068 59 2HB TRP 7 2HB TRP 7 1.483 -1.128 -6.166 60 HD1 TRP 7 HD1 TRP 7 4.702 -2.797 -6.843 61 HE1 TRP 7 HE1 TRP 7 4.544 -4.299 -8.910 62 HE3 TRP 7 HE3 TRP 7 -0.371 -2.919 -7.343 63 HZ2 TRP 7 HZ2 TRP 7 2.527 -5.401 -10.542 64 HZ3 TRP 7 HZ3 TRP 7 -1.343 -4.223 -9.188 65 HH2 TRP 7 HH2 TRP 7 0.079 -5.439 -10.755 66 H VAL 8 H VAL 8 3.785 1.256 -5.596 67 HA VAL 8 HA VAL 8 2.504 2.115 -3.082 68 HB VAL 8 HB VAL 8 4.365 4.002 -4.351 69 1HG1 VAL 8 1HG1 VAL 8 3.508 4.616 -2.256 70 2HG1 VAL 8 2HG1 VAL 8 5.159 4.096 -1.935 71 3HG1 VAL 8 3HG1 VAL 8 3.815 3.027 -1.562 72 1HG2 VAL 8 1HG2 VAL 8 5.860 2.349 -4.814 73 2HG2 VAL 8 2HG2 VAL 8 5.238 1.275 -3.561 74 3HG2 VAL 8 3HG2 VAL 8 6.269 2.635 -3.123 75 H VAL 9 H VAL 9 0.899 3.553 -3.159 76 HA VAL 9 HA VAL 9 0.377 4.887 -5.735 77 HB VAL 9 HB VAL 9 -1.921 4.703 -3.911 78 1HG1 VAL 9 1HG1 VAL 9 -1.379 4.933 -6.686 79 2HG1 VAL 9 2HG1 VAL 9 -2.902 5.103 -5.850 80 3HG1 VAL 9 3HG1 VAL 9 -2.417 3.521 -6.450 81 1HG2 VAL 9 1HG2 VAL 9 -0.469 2.246 -4.658 82 2HG2 VAL 9 2HG2 VAL 9 -2.207 2.240 -4.953 83 3HG2 VAL 9 3HG2 VAL 9 -1.594 2.545 -3.334 84 H ASP 10 H ASP 10 1.140 6.941 -5.489 85 HA ASP 10 HA ASP 10 -0.162 8.854 -3.981 86 1HB ASP 10 1HB ASP 10 0.888 7.585 -2.046 87 2HB ASP 10 2HB ASP 10 2.447 8.167 -2.619 88 H ASP 11 H ASP 11 0.099 10.228 -5.639 89 HA ASP 11 HA ASP 11 1.029 11.838 -6.931 90 1HB ASP 11 1HB ASP 11 2.301 12.097 -4.582 91 2HB ASP 11 2HB ASP 11 3.677 11.724 -5.615 92 H ASP 12 H ASP 12 2.518 8.767 -6.704 93 HA ASP 12 HA ASP 12 3.974 7.621 -8.029 94 1HB ASP 12 1HB ASP 12 3.340 7.595 -10.349 95 2HB ASP 12 2HB ASP 12 1.882 7.846 -9.397 96 H SER 13 H SER 13 4.993 8.558 -10.646 97 HA SER 13 HA SER 13 7.106 9.239 -11.239 98 1HB SER 13 1HB SER 13 5.256 10.964 -11.745 99 2HB SER 13 2HB SER 13 6.066 11.952 -10.533 100 HG SER 13 HG SER 13 6.793 11.425 -13.092 101 H SER 14 H SER 14 6.819 11.963 -9.067 102 HA SER 14 HA SER 14 9.438 11.792 -8.150 103 1HB SER 14 1HB SER 14 8.129 13.848 -7.972 104 2HB SER 14 2HB SER 14 7.055 13.086 -6.798 105 HG SER 14 HG SER 14 8.553 13.262 -5.289 106 H ILE 15 H ILE 15 6.468 10.924 -6.351 107 HA ILE 15 HA ILE 15 7.785 9.781 -4.157 108 HB ILE 15 HB ILE 15 5.042 9.128 -5.273 109 1HG1 ILE 15 1HG1 ILE 15 5.472 11.531 -4.711 110 2HG1 ILE 15 2HG1 ILE 15 4.187 10.791 -3.762 111 1HG2 ILE 15 1HG2 ILE 15 5.706 8.831 -2.385 112 2HG2 ILE 15 2HG2 ILE 15 6.225 7.568 -3.498 113 3HG2 ILE 15 3HG2 ILE 15 4.517 7.979 -3.367 114 1HD1 ILE 15 1HD1 ILE 15 5.821 12.290 -2.542 115 2HD1 ILE 15 2HD1 ILE 15 6.997 10.993 -2.744 116 3HD1 ILE 15 3HD1 ILE 15 5.511 10.702 -1.838 117 H ARG 16 H ARG 16 7.294 8.639 -7.354 118 HA ARG 16 HA ARG 16 7.578 5.837 -6.773 119 1HB ARG 16 1HB ARG 16 6.355 6.677 -8.752 120 2HB ARG 16 2HB ARG 16 7.859 7.307 -9.398 121 1HG ARG 16 1HG ARG 16 8.713 4.890 -9.226 122 2HG ARG 16 2HG ARG 16 7.010 4.455 -9.076 123 1HD ARG 16 1HD ARG 16 7.407 6.309 -11.243 124 2HD ARG 16 2HD ARG 16 8.449 4.900 -11.429 125 HE ARG 16 HE ARG 16 6.313 3.579 -11.090 126 1HH1 ARG 16 1HH1 ARG 16 6.333 6.762 -12.545 127 2HH1 ARG 16 2HH1 ARG 16 4.895 6.479 -13.463 128 1HH2 ARG 16 1HH2 ARG 16 4.426 3.220 -12.299 129 2HH2 ARG 16 2HH2 ARG 16 3.815 4.475 -13.325 130 H TRP 17 H TRP 17 9.643 8.170 -8.521 131 HA TRP 17 HA TRP 17 11.847 6.597 -8.900 132 1HB TRP 17 1HB TRP 17 11.551 8.906 -9.789 133 2HB TRP 17 2HB TRP 17 11.977 9.528 -8.196 134 HD1 TRP 17 HD1 TRP 17 13.521 7.656 -11.176 135 HE1 TRP 17 HE1 TRP 17 16.080 7.890 -11.044 136 HE3 TRP 17 HE3 TRP 17 13.882 9.975 -6.639 137 HZ2 TRP 17 HZ2 TRP 17 18.000 8.921 -9.251 138 HZ3 TRP 17 HZ3 TRP 17 16.121 10.549 -5.782 139 HH2 TRP 17 HH2 TRP 17 18.135 10.033 -7.064 140 H VAL 18 H VAL 18 11.057 8.439 -5.983 141 HA VAL 18 HA VAL 18 13.503 7.900 -4.695 142 HB VAL 18 HB VAL 18 11.097 8.333 -3.014 143 1HG1 VAL 18 1HG1 VAL 18 13.629 8.228 -2.363 144 2HG1 VAL 18 2HG1 VAL 18 12.559 9.405 -1.601 145 3HG1 VAL 18 3HG1 VAL 18 13.628 9.905 -2.910 146 1HG2 VAL 18 1HG2 VAL 18 11.816 10.898 -3.701 147 2HG2 VAL 18 2HG2 VAL 18 10.371 10.050 -4.248 148 3HG2 VAL 18 3HG2 VAL 18 11.821 10.059 -5.251 149 H LEU 19 H LEU 19 10.305 6.494 -4.086 150 HA LEU 19 HA LEU 19 11.338 4.547 -2.319 151 1HB LEU 19 1HB LEU 19 8.826 5.460 -2.834 152 2HB LEU 19 2HB LEU 19 8.771 3.866 -3.564 153 HG LEU 19 HG LEU 19 9.510 2.875 -1.433 154 1HD1 LEU 19 1HD1 LEU 19 10.750 4.618 -0.433 155 2HD1 LEU 19 2HD1 LEU 19 9.348 4.351 0.595 156 3HD1 LEU 19 3HD1 LEU 19 9.383 5.730 -0.503 157 1HD2 LEU 19 1HD2 LEU 19 7.272 2.648 -1.441 158 2HD2 LEU 19 2HD2 LEU 19 6.996 4.349 -1.810 159 3HD2 LEU 19 3HD2 LEU 19 7.344 3.852 -0.155 160 H GLU 20 H GLU 20 10.986 4.547 -5.760 161 HA GLU 20 HA GLU 20 10.954 1.742 -6.053 162 1HB GLU 20 1HB GLU 20 11.331 2.068 -8.372 163 2HB GLU 20 2HB GLU 20 10.253 3.333 -7.826 164 1HG GLU 20 1HG GLU 20 12.126 4.897 -7.801 165 2HG GLU 20 2HG GLU 20 13.190 3.615 -8.371 166 H ARG 21 H ARG 21 13.605 4.023 -6.549 167 HA ARG 21 HA ARG 21 15.597 2.118 -6.958 168 1HB ARG 21 1HB ARG 21 15.831 4.898 -5.802 169 2HB ARG 21 2HB ARG 21 17.192 3.926 -6.348 170 1HG ARG 21 1HG ARG 21 15.070 4.196 -8.335 171 2HG ARG 21 2HG ARG 21 15.820 5.725 -7.873 172 1HD ARG 21 1HD ARG 21 17.993 4.915 -8.461 173 2HD ARG 21 2HD ARG 21 17.374 3.281 -8.695 174 HE ARG 21 HE ARG 21 16.473 5.503 -10.401 175 1HH1 ARG 21 1HH1 ARG 21 17.931 2.340 -10.054 176 2HH1 ARG 21 2HH1 ARG 21 17.904 2.015 -11.753 177 1HH2 ARG 21 1HH2 ARG 21 16.444 5.063 -12.624 178 2HH2 ARG 21 2HH2 ARG 21 17.065 3.556 -13.209 179 H ALA 22 H ALA 22 14.811 3.818 -3.912 180 HA ALA 22 HA ALA 22 16.697 2.463 -2.349 181 1HB ALA 22 1HB ALA 22 15.552 3.338 -0.435 182 2HB ALA 22 2HB ALA 22 14.084 3.600 -1.379 183 3HB ALA 22 3HB ALA 22 15.526 4.563 -1.704 184 H LEU 23 H LEU 23 13.425 1.617 -3.207 185 HA LEU 23 HA LEU 23 13.310 -0.592 -1.389 186 1HB LEU 23 1HB LEU 23 11.334 0.722 -2.281 187 2HB LEU 23 2HB LEU 23 11.550 -0.149 -3.787 188 HG LEU 23 HG LEU 23 9.795 -0.971 -2.085 189 1HD1 LEU 23 1HD1 LEU 23 10.019 -3.189 -2.887 190 2HD1 LEU 23 2HD1 LEU 23 11.752 -2.981 -3.156 191 3HD1 LEU 23 3HD1 LEU 23 10.594 -2.111 -4.160 192 1HD2 LEU 23 1HD2 LEU 23 12.269 -2.209 -0.891 193 2HD2 LEU 23 2HD2 LEU 23 10.600 -2.547 -0.434 194 3HD2 LEU 23 3HD2 LEU 23 11.291 -0.951 -0.134 195 H ALA 24 H ALA 24 14.327 -0.078 -4.654 196 HA ALA 24 HA ALA 24 14.340 -2.785 -5.494 197 1HB ALA 24 1HB ALA 24 15.819 -2.019 -7.293 198 2HB ALA 24 2HB ALA 24 16.022 -0.472 -6.471 199 3HB ALA 24 3HB ALA 24 14.441 -0.938 -7.098 200 H GLY 25 H GLY 25 16.532 -0.742 -3.682 201 1HA GLY 25 1HA GLY 25 18.821 -2.412 -3.809 202 2HA GLY 25 2HA GLY 25 18.490 -1.205 -2.573 203 H ALA 26 H ALA 26 15.875 -2.566 -1.997 204 HA ALA 26 HA ALA 26 16.862 -4.338 0.021 205 1HB ALA 26 1HB ALA 26 14.323 -4.634 0.418 206 2HB ALA 26 2HB ALA 26 14.158 -3.300 -0.726 207 3HB ALA 26 3HB ALA 26 15.068 -3.076 0.769 208 H GLY 27 H GLY 27 15.890 -4.678 -3.212 209 1HA GLY 27 1HA GLY 27 16.253 -6.717 -4.376 210 2HA GLY 27 2HA GLY 27 15.914 -7.590 -2.893 211 H LEU 28 H LEU 28 13.758 -5.011 -3.842 212 HA LEU 28 HA LEU 28 11.921 -7.006 -4.902 213 1HB LEU 28 1HB LEU 28 10.710 -4.852 -3.302 214 2HB LEU 28 2HB LEU 28 10.239 -6.523 -3.473 215 HG LEU 28 HG LEU 28 12.472 -6.902 -2.077 216 1HD1 LEU 28 1HD1 LEU 28 13.122 -4.603 -1.896 217 2HD1 LEU 28 2HD1 LEU 28 12.610 -5.178 -0.309 218 3HD1 LEU 28 3HD1 LEU 28 11.533 -4.164 -1.268 219 1HD2 LEU 28 1HD2 LEU 28 11.055 -7.611 -0.483 220 2HD2 LEU 28 2HD2 LEU 28 9.800 -7.148 -1.634 221 3HD2 LEU 28 3HD2 LEU 28 10.272 -6.037 -0.349 222 H THR 29 H THR 29 9.939 -5.912 -5.916 223 HA THR 29 HA THR 29 10.952 -3.857 -7.737 224 HB THR 29 HB THR 29 8.581 -5.712 -7.866 225 HG1 THR 29 HG1 THR 29 10.256 -6.842 -8.556 226 1HG2 THR 29 1HG2 THR 29 8.689 -4.783 -10.354 227 2HG2 THR 29 2HG2 THR 29 9.163 -3.324 -9.485 228 3HG2 THR 29 3HG2 THR 29 7.628 -4.110 -9.118 229 H CYS 30 H CYS 30 9.988 -1.892 -8.040 230 HA CYS 30 HA CYS 30 7.746 -1.206 -6.250 231 1HB CYS 30 1HB CYS 30 10.270 -0.352 -5.841 232 2HB CYS 30 2HB CYS 30 9.677 0.918 -6.907 233 HG CYS 30 HG CYS 30 9.189 1.614 -4.459 234 H THR 31 H THR 31 6.047 -0.569 -7.338 235 HA THR 31 HA THR 31 6.417 1.101 -9.712 236 HB THR 31 HB THR 31 5.792 -1.363 -10.245 237 HG1 THR 31 HG1 THR 31 4.080 -0.486 -11.750 238 1HG2 THR 31 1HG2 THR 31 3.835 -2.224 -9.686 239 2HG2 THR 31 2HG2 THR 31 2.976 -0.722 -10.007 240 3HG2 THR 31 3HG2 THR 31 3.772 -0.966 -8.453 241 H THR 32 H THR 32 5.073 2.861 -9.719 242 HA THR 32 HA THR 32 3.343 3.059 -7.381 243 HB THR 32 HB THR 32 3.629 5.531 -7.654 244 HG1 THR 32 HG1 THR 32 4.482 5.055 -9.952 245 1HG2 THR 32 1HG2 THR 32 5.072 3.903 -6.213 246 2HG2 THR 32 2HG2 THR 32 5.575 5.581 -6.444 247 3HG2 THR 32 3HG2 THR 32 6.325 4.297 -7.390 248 H PHE 33 H PHE 33 1.548 4.507 -7.459 249 HA PHE 33 HA PHE 33 0.167 4.590 -10.033 250 1HB PHE 33 1HB PHE 33 -0.882 3.424 -7.467 251 2HB PHE 33 2HB PHE 33 -1.830 3.638 -8.928 252 HD1 PHE 33 HD1 PHE 33 -1.813 1.943 -10.582 253 HD2 PHE 33 HD2 PHE 33 1.171 1.986 -7.550 254 HE1 PHE 33 HE1 PHE 33 -1.038 -0.270 -11.316 255 HE2 PHE 33 HE2 PHE 33 1.965 -0.212 -8.287 256 HZ PHE 33 HZ PHE 33 0.846 -1.359 -10.171 257 H GLU 34 H GLU 34 -2.041 5.797 -9.716 258 HA GLU 34 HA GLU 34 -1.449 8.439 -9.025 259 1HB GLU 34 1HB GLU 34 -3.873 8.852 -9.422 260 2HB GLU 34 2HB GLU 34 -3.072 7.958 -10.705 261 1HG GLU 34 1HG GLU 34 -4.843 6.608 -10.573 262 2HG GLU 34 2HG GLU 34 -4.009 5.929 -9.182 263 H ASN 35 H ASN 35 -3.866 6.350 -7.327 264 HA ASN 35 HA ASN 35 -3.055 7.504 -4.829 265 1HB ASN 35 1HB ASN 35 -4.661 9.173 -5.792 266 2HB ASN 35 2HB ASN 35 -5.904 7.927 -5.710 267 1HD2 ASN 35 1HD2 ASN 35 -6.220 6.934 -3.542 268 2HD2 ASN 35 2HD2 ASN 35 -6.124 7.970 -2.167 269 H GLY 36 H GLY 36 -5.144 5.344 -6.591 270 1HA GLY 36 1HA GLY 36 -4.762 3.249 -4.764 271 2HA GLY 36 2HA GLY 36 -6.300 4.015 -4.413 272 H ASN 37 H ASN 37 -7.674 4.360 -6.497 273 HA ASN 37 HA ASN 37 -8.539 1.931 -7.408 274 1HB ASN 37 1HB ASN 37 -8.769 4.681 -8.587 275 2HB ASN 37 2HB ASN 37 -9.471 3.289 -9.408 276 1HD2 ASN 37 1HD2 ASN 37 -10.540 1.784 -7.539 277 2HD2 ASN 37 2HD2 ASN 37 -11.717 2.631 -6.601 278 H GLU 38 H GLU 38 -5.854 3.791 -8.574 279 HA GLU 38 HA GLU 38 -5.531 2.677 -11.109 280 1HB GLU 38 1HB GLU 38 -4.052 4.361 -9.422 281 2HB GLU 38 2HB GLU 38 -2.980 3.043 -9.845 282 1HG GLU 38 1HG GLU 38 -4.343 3.893 -12.193 283 2HG GLU 38 2HG GLU 38 -3.663 5.303 -11.385 284 H VAL 39 H VAL 39 -3.813 1.648 -8.094 285 HA VAL 39 HA VAL 39 -2.618 -0.610 -9.165 286 HB VAL 39 HB VAL 39 -3.768 -0.378 -6.381 287 1HG1 VAL 39 1HG1 VAL 39 -3.214 -2.540 -6.308 288 2HG1 VAL 39 2HG1 VAL 39 -1.562 -1.947 -6.186 289 3HG1 VAL 39 3HG1 VAL 39 -2.211 -2.443 -7.750 290 1HG2 VAL 39 1HG2 VAL 39 -2.103 0.982 -5.864 291 2HG2 VAL 39 2HG2 VAL 39 -1.773 1.132 -7.582 292 3HG2 VAL 39 3HG2 VAL 39 -0.912 -0.067 -6.618 293 H LEU 40 H LEU 40 -5.832 -0.326 -7.747 294 HA LEU 40 HA LEU 40 -6.712 -2.909 -7.738 295 1HB LEU 40 1HB LEU 40 -8.431 -0.679 -8.775 296 2HB LEU 40 2HB LEU 40 -8.914 -2.065 -7.815 297 HG LEU 40 HG LEU 40 -7.430 0.393 -6.909 298 1HD1 LEU 40 1HD1 LEU 40 -10.108 -0.231 -6.967 299 2HD1 LEU 40 2HD1 LEU 40 -9.347 0.991 -5.946 300 3HD1 LEU 40 3HD1 LEU 40 -9.630 -0.627 -5.322 301 1HD2 LEU 40 1HD2 LEU 40 -7.152 -2.308 -5.922 302 2HD2 LEU 40 2HD2 LEU 40 -7.832 -1.245 -4.690 303 3HD2 LEU 40 3HD2 LEU 40 -6.292 -0.842 -5.450 304 H ALA 41 H ALA 41 -6.563 -0.730 -10.507 305 HA ALA 41 HA ALA 41 -7.804 -2.485 -12.347 306 1HB ALA 41 1HB ALA 41 -7.486 0.024 -12.573 307 2HB ALA 41 2HB ALA 41 -7.190 -0.943 -14.019 308 3HB ALA 41 3HB ALA 41 -5.831 -0.342 -13.067 309 H ALA 42 H ALA 42 -4.441 -1.734 -11.665 310 HA ALA 42 HA ALA 42 -3.363 -3.571 -13.544 311 1HB ALA 42 1HB ALA 42 -1.374 -2.672 -13.016 312 2HB ALA 42 2HB ALA 42 -1.639 -2.847 -11.281 313 3HB ALA 42 3HB ALA 42 -2.339 -1.479 -12.147 314 H LEU 43 H LEU 43 -4.285 -3.783 -10.185 315 HA LEU 43 HA LEU 43 -2.915 -6.113 -9.487 316 1HB LEU 43 1HB LEU 43 -5.291 -4.675 -8.447 317 2HB LEU 43 2HB LEU 43 -5.079 -6.342 -7.950 318 HG LEU 43 HG LEU 43 -2.956 -4.245 -7.586 319 1HD1 LEU 43 1HD1 LEU 43 -5.040 -3.706 -6.333 320 2HD1 LEU 43 2HD1 LEU 43 -3.666 -4.075 -5.288 321 3HD1 LEU 43 3HD1 LEU 43 -4.921 -5.279 -5.550 322 1HD2 LEU 43 1HD2 LEU 43 -1.812 -6.184 -7.358 323 2HD2 LEU 43 2HD2 LEU 43 -3.265 -7.118 -6.991 324 3HD2 LEU 43 3HD2 LEU 43 -2.510 -6.129 -5.739 325 H ALA 44 H ALA 44 -5.810 -5.597 -11.298 326 HA ALA 44 HA ALA 44 -7.026 -8.092 -11.120 327 1HB ALA 44 1HB ALA 44 -7.486 -7.236 -13.729 328 2HB ALA 44 2HB ALA 44 -7.236 -5.755 -12.804 329 3HB ALA 44 3HB ALA 44 -8.482 -6.903 -12.312 330 H SER 45 H SER 45 -4.100 -7.203 -12.678 331 HA SER 45 HA SER 45 -4.024 -9.789 -14.031 332 1HB SER 45 1HB SER 45 -3.082 -7.100 -14.894 333 2HB SER 45 2HB SER 45 -2.163 -8.511 -15.417 334 HG SER 45 HG SER 45 -4.962 -8.208 -15.765 335 H LYS 46 H LYS 46 -2.712 -8.021 -11.509 336 HA LYS 46 HA LYS 46 -0.655 -9.982 -11.105 337 1HB LYS 46 1HB LYS 46 0.082 -7.684 -12.454 338 2HB LYS 46 2HB LYS 46 0.511 -7.324 -10.789 339 1HG LYS 46 1HG LYS 46 1.441 -9.908 -11.203 340 2HG LYS 46 2HG LYS 46 1.815 -9.050 -12.699 341 1HD LYS 46 1HD LYS 46 2.479 -7.284 -10.630 342 2HD LYS 46 2HD LYS 46 3.073 -8.861 -10.111 343 1HE LYS 46 1HE LYS 46 3.605 -7.816 -12.872 344 2HE LYS 46 2HE LYS 46 4.628 -7.365 -11.510 345 1HZ LYS 46 1HZ LYS 46 5.724 -9.248 -11.832 346 2HZ LYS 46 2HZ LYS 46 4.631 -9.758 -13.017 347 3HZ LYS 46 3HZ LYS 46 4.338 -10.114 -11.391 348 H THR 47 H THR 47 0.314 -9.833 -8.957 349 HA THR 47 HA THR 47 -1.103 -8.101 -7.101 350 HB THR 47 HB THR 47 -0.851 -11.094 -6.831 351 HG1 THR 47 HG1 THR 47 -3.005 -11.112 -7.056 352 1HG2 THR 47 1HG2 THR 47 -0.528 -9.836 -4.662 353 2HG2 THR 47 2HG2 THR 47 -1.844 -11.009 -4.709 354 3HG2 THR 47 3HG2 THR 47 -2.194 -9.288 -4.853 355 HA PRO 48 HA PRO 48 3.225 -7.898 -5.818 356 1HB PRO 48 1HB PRO 48 3.042 -5.674 -4.323 357 2HB PRO 48 2HB PRO 48 3.050 -5.604 -6.089 358 1HG PRO 48 1HG PRO 48 0.745 -5.435 -4.192 359 2HG PRO 48 2HG PRO 48 1.060 -4.489 -5.657 360 1HD PRO 48 1HD PRO 48 -0.652 -6.621 -5.554 361 2HD PRO 48 2HD PRO 48 0.183 -6.096 -7.027 362 H ASP 49 H ASP 49 4.336 -8.038 -3.735 363 HA ASP 49 HA ASP 49 2.898 -9.672 -1.879 364 1HB ASP 49 1HB ASP 49 5.668 -8.464 -1.691 365 2HB ASP 49 2HB ASP 49 5.020 -9.682 -0.597 366 H VAL 50 H VAL 50 3.524 -6.310 -2.158 367 HA VAL 50 HA VAL 50 2.091 -5.819 0.320 368 HB VAL 50 HB VAL 50 4.369 -5.836 1.084 369 1HG1 VAL 50 1HG1 VAL 50 5.079 -5.151 -1.416 370 2HG1 VAL 50 2HG1 VAL 50 6.149 -5.022 -0.019 371 3HG1 VAL 50 3HG1 VAL 50 5.276 -3.607 -0.594 372 1HG2 VAL 50 1HG2 VAL 50 3.476 -2.977 0.770 373 2HG2 VAL 50 2HG2 VAL 50 4.601 -3.597 1.977 374 3HG2 VAL 50 3HG2 VAL 50 2.910 -4.098 2.008 375 H LEU 51 H LEU 51 1.467 -3.441 0.473 376 HA LEU 51 HA LEU 51 1.642 -1.972 -2.017 377 1HB LEU 51 1HB LEU 51 -0.245 -3.511 -2.372 378 2HB LEU 51 2HB LEU 51 -1.029 -2.872 -0.941 379 HG LEU 51 HG LEU 51 -0.997 -0.606 -2.127 380 1HD1 LEU 51 1HD1 LEU 51 -0.303 -2.430 -4.424 381 2HD1 LEU 51 2HD1 LEU 51 0.567 -0.998 -3.866 382 3HD1 LEU 51 3HD1 LEU 51 -1.010 -0.824 -4.628 383 1HD2 LEU 51 1HD2 LEU 51 -3.091 -1.001 -3.062 384 2HD2 LEU 51 2HD2 LEU 51 -2.939 -2.271 -1.848 385 3HD2 LEU 51 3HD2 LEU 51 -2.670 -2.643 -3.551 386 H LEU 52 H LEU 52 0.911 0.182 -1.918 387 HA LEU 52 HA LEU 52 0.349 1.257 0.755 388 1HB LEU 52 1HB LEU 52 2.543 2.051 -1.134 389 2HB LEU 52 2HB LEU 52 1.976 3.129 0.117 390 HG LEU 52 HG LEU 52 2.798 0.432 0.996 391 1HD1 LEU 52 1HD1 LEU 52 5.191 1.124 1.050 392 2HD1 LEU 52 2HD1 LEU 52 4.784 2.479 0.000 393 3HD1 LEU 52 3HD1 LEU 52 4.575 0.825 -0.574 394 1HD2 LEU 52 1HD2 LEU 52 3.123 1.467 2.967 395 2HD2 LEU 52 2HD2 LEU 52 2.078 2.703 2.254 396 3HD2 LEU 52 3HD2 LEU 52 3.834 2.894 2.218 397 H SER 53 H SER 53 -1.450 2.576 0.630 398 HA SER 53 HA SER 53 -2.099 3.740 -1.998 399 1HB SER 53 1HB SER 53 -3.752 2.659 0.206 400 2HB SER 53 2HB SER 53 -4.402 4.064 -0.639 401 HG SER 53 HG SER 53 -4.698 1.695 -1.443 402 H ASP 54 H ASP 54 -2.651 5.886 -2.260 403 HA ASP 54 HA ASP 54 -1.447 7.711 -0.398 404 1HB ASP 54 1HB ASP 54 -1.287 7.998 -2.856 405 2HB ASP 54 2HB ASP 54 -3.009 8.335 -2.902 406 H ILE 55 H ILE 55 -4.562 6.440 -0.672 407 HA ILE 55 HA ILE 55 -6.588 6.998 0.164 408 HB ILE 55 HB ILE 55 -5.941 6.700 2.322 409 1HG1 ILE 55 1HG1 ILE 55 -6.411 9.678 2.407 410 2HG1 ILE 55 2HG1 ILE 55 -7.688 8.476 2.250 411 1HG2 ILE 55 1HG2 ILE 55 -3.596 7.392 1.925 412 2HG2 ILE 55 2HG2 ILE 55 -4.226 7.787 3.523 413 3HG2 ILE 55 3HG2 ILE 55 -4.080 9.048 2.293 414 1HD1 ILE 55 1HD1 ILE 55 -6.853 9.520 4.587 415 2HD1 ILE 55 2HD1 ILE 55 -5.869 8.059 4.506 416 3HD1 ILE 55 3HD1 ILE 55 -7.627 7.945 4.419 417 H ARG 56 H ARG 56 -8.163 8.612 0.460 418 HA ARG 56 HA ARG 56 -9.178 10.644 0.225 419 1HB ARG 56 1HB ARG 56 -6.640 11.491 0.744 420 2HB ARG 56 2HB ARG 56 -6.864 12.094 -0.894 421 1HG ARG 56 1HG ARG 56 -8.946 13.211 -0.152 422 2HG ARG 56 2HG ARG 56 -8.599 12.683 1.496 423 1HD ARG 56 1HD ARG 56 -6.272 13.850 0.966 424 2HD ARG 56 2HD ARG 56 -7.277 14.759 -0.161 425 HE ARG 56 HE ARG 56 -8.277 14.599 2.553 426 1HH1 ARG 56 1HH1 ARG 56 -6.407 16.417 0.233 427 2HH1 ARG 56 2HH1 ARG 56 -6.583 17.917 1.078 428 1HH2 ARG 56 1HH2 ARG 56 -8.510 16.580 3.667 429 2HH2 ARG 56 2HH2 ARG 56 -7.774 18.011 3.026 430 H MET 57 H MET 57 -10.078 9.235 -1.497 431 HA MET 57 HA MET 57 -10.040 10.632 -3.993 432 1HB MET 57 1HB MET 57 -8.231 8.466 -3.724 433 2HB MET 57 2HB MET 57 -9.535 7.920 -4.769 434 1HG MET 57 1HG MET 57 -8.042 10.486 -5.209 435 2HG MET 57 2HG MET 57 -7.566 8.948 -5.926 436 1HE MET 57 1HE MET 57 -9.039 10.743 -9.026 437 2HE MET 57 2HE MET 57 -7.843 9.543 -8.534 438 3HE MET 57 3HE MET 57 -7.828 11.152 -7.811 439 HA PRO 58 HA PRO 58 -13.333 7.094 -4.373 440 1HB PRO 58 1HB PRO 58 -13.377 5.194 -2.423 441 2HB PRO 58 2HB PRO 58 -12.403 5.046 -3.888 442 1HG PRO 58 1HG PRO 58 -11.577 5.996 -1.162 443 2HG PRO 58 2HG PRO 58 -10.769 4.827 -2.227 444 1HD PRO 58 1HD PRO 58 -9.936 7.359 -2.093 445 2HD PRO 58 2HD PRO 58 -9.954 6.486 -3.634 446 H GLY 59 H GLY 59 -15.043 5.977 -2.497 447 1HA GLY 59 1HA GLY 59 -16.195 8.363 -1.328 448 2HA GLY 59 2HA GLY 59 -16.930 6.771 -1.392 449 H MET 60 H MET 60 -13.763 6.730 -0.167 450 HA MET 60 HA MET 60 -14.502 7.209 2.593 451 1HB MET 60 1HB MET 60 -14.576 4.571 1.505 452 2HB MET 60 2HB MET 60 -13.184 4.667 2.571 453 1HG MET 60 1HG MET 60 -14.515 4.377 4.305 454 2HG MET 60 2HG MET 60 -15.317 5.899 3.927 455 1HE MET 60 1HE MET 60 -15.371 2.802 1.501 456 2HE MET 60 2HE MET 60 -16.717 1.872 2.154 457 3HE MET 60 3HE MET 60 -15.236 2.055 3.092 458 H ASP 61 H ASP 61 -12.886 8.642 1.066 459 HA ASP 61 HA ASP 61 -10.822 9.427 0.663 460 1HB ASP 61 1HB ASP 61 -9.321 9.353 2.788 461 2HB ASP 61 2HB ASP 61 -10.810 10.286 2.794 462 H GLY 62 H GLY 62 -9.558 6.894 2.817 463 1HA GLY 62 1HA GLY 62 -8.201 5.800 0.427 464 2HA GLY 62 2HA GLY 62 -7.383 6.009 1.960 465 H LEU 63 H LEU 63 -9.707 5.114 3.489 466 HA LEU 63 HA LEU 63 -9.039 2.400 3.605 467 1HB LEU 63 1HB LEU 63 -11.627 3.327 4.725 468 2HB LEU 63 2HB LEU 63 -10.455 2.213 5.402 469 HG LEU 63 HG LEU 63 -9.014 4.482 5.481 470 1HD1 LEU 63 1HD1 LEU 63 -10.474 6.071 4.713 471 2HD1 LEU 63 2HD1 LEU 63 -10.700 6.178 6.457 472 3HD1 LEU 63 3HD1 LEU 63 -11.870 5.306 5.465 473 1HD2 LEU 63 1HD2 LEU 63 -9.308 4.417 7.778 474 2HD2 LEU 63 2HD2 LEU 63 -9.731 2.779 7.277 475 3HD2 LEU 63 3HD2 LEU 63 -10.998 3.942 7.647 476 H ALA 64 H ALA 64 -11.227 4.092 1.610 477 HA ALA 64 HA ALA 64 -13.080 2.025 1.077 478 1HB ALA 64 1HB ALA 64 -12.679 3.633 -1.247 479 2HB ALA 64 2HB ALA 64 -12.628 4.671 0.177 480 3HB ALA 64 3HB ALA 64 -14.032 3.647 -0.118 481 H LEU 65 H LEU 65 -9.909 2.856 -0.131 482 HA LEU 65 HA LEU 65 -9.785 1.260 -2.414 483 1HB LEU 65 1HB LEU 65 -7.995 2.800 -0.834 484 2HB LEU 65 2HB LEU 65 -7.256 1.228 -1.078 485 HG LEU 65 HG LEU 65 -6.516 2.741 -2.805 486 1HD1 LEU 65 1HD1 LEU 65 -8.521 0.769 -3.892 487 2HD1 LEU 65 2HD1 LEU 65 -6.864 0.397 -3.414 488 3HD1 LEU 65 3HD1 LEU 65 -7.168 1.471 -4.775 489 1HD2 LEU 65 1HD2 LEU 65 -7.977 4.420 -3.190 490 2HD2 LEU 65 2HD2 LEU 65 -9.390 3.399 -2.923 491 3HD2 LEU 65 3HD2 LEU 65 -8.539 3.341 -4.468 492 H LEU 66 H LEU 66 -9.018 0.510 0.955 493 HA LEU 66 HA LEU 66 -8.075 -2.083 0.646 494 1HB LEU 66 1HB LEU 66 -9.827 -1.114 2.906 495 2HB LEU 66 2HB LEU 66 -8.659 -2.420 2.965 496 HG LEU 66 HG LEU 66 -7.679 0.316 2.292 497 1HD1 LEU 66 1HD1 LEU 66 -8.335 1.228 4.192 498 2HD1 LEU 66 2HD1 LEU 66 -7.465 -0.008 5.084 499 3HD1 LEU 66 3HD1 LEU 66 -9.158 -0.253 4.656 500 1HD2 LEU 66 1HD2 LEU 66 -5.736 -0.728 2.496 501 2HD2 LEU 66 2HD2 LEU 66 -6.559 -2.220 2.953 502 3HD2 LEU 66 3HD2 LEU 66 -6.097 -1.052 4.191 503 H LYS 67 H LYS 67 -11.374 -0.906 1.084 504 HA LYS 67 HA LYS 67 -12.777 -3.287 1.129 505 1HB LYS 67 1HB LYS 67 -13.695 -0.952 1.435 506 2HB LYS 67 2HB LYS 67 -13.711 -0.812 -0.318 507 1HG LYS 67 1HG LYS 67 -15.150 -2.917 -0.302 508 2HG LYS 67 2HG LYS 67 -15.341 -2.625 1.427 509 1HD LYS 67 1HD LYS 67 -16.853 -1.032 1.062 510 2HD LYS 67 2HD LYS 67 -15.786 -0.203 -0.073 511 1HE LYS 67 1HE LYS 67 -16.505 -1.774 -1.839 512 2HE LYS 67 2HE LYS 67 -17.632 -2.507 -0.696 513 1HZ LYS 67 1HZ LYS 67 -18.844 -0.484 -0.550 514 2HZ LYS 67 2HZ LYS 67 -18.634 -0.818 -2.196 515 3HZ LYS 67 3HZ LYS 67 -17.684 0.363 -1.444 516 H GLN 68 H GLN 68 -11.697 -1.451 -1.727 517 HA GLN 68 HA GLN 68 -12.916 -3.151 -3.630 518 1HB GLN 68 1HB GLN 68 -10.399 -1.537 -4.043 519 2HB GLN 68 2HB GLN 68 -11.537 -2.062 -5.273 520 1HG GLN 68 1HG GLN 68 -12.145 -0.087 -3.088 521 2HG GLN 68 2HG GLN 68 -11.711 0.334 -4.746 522 1HE2 GLN 68 1HE2 GLN 68 -13.283 0.519 -6.181 523 2HE2 GLN 68 2HE2 GLN 68 -14.917 0.000 -5.962 524 H ILE 69 H ILE 69 -9.780 -3.121 -2.070 525 HA ILE 69 HA ILE 69 -8.514 -5.089 -3.590 526 HB ILE 69 HB ILE 69 -8.089 -4.346 -0.703 527 1HG1 ILE 69 1HG1 ILE 69 -7.837 -2.501 -2.365 528 2HG1 ILE 69 2HG1 ILE 69 -6.354 -2.873 -1.496 529 1HG2 ILE 69 1HG2 ILE 69 -5.763 -5.339 -2.099 530 2HG2 ILE 69 2HG2 ILE 69 -7.047 -6.543 -2.029 531 3HG2 ILE 69 3HG2 ILE 69 -6.438 -5.817 -0.543 532 1HD1 ILE 69 1HD1 ILE 69 -7.052 -3.609 -4.323 533 2HD1 ILE 69 2HD1 ILE 69 -5.637 -4.220 -3.465 534 3HD1 ILE 69 3HD1 ILE 69 -5.805 -2.491 -3.770 535 H LYS 70 H LYS 70 -10.466 -5.345 -0.690 536 HA LYS 70 HA LYS 70 -10.067 -8.121 -0.317 537 1HB LYS 70 1HB LYS 70 -11.756 -7.981 1.377 538 2HB LYS 70 2HB LYS 70 -10.783 -6.521 1.456 539 1HG LYS 70 1HG LYS 70 -12.715 -5.438 1.482 540 2HG LYS 70 2HG LYS 70 -12.762 -5.779 -0.245 541 1HD LYS 70 1HD LYS 70 -14.040 -7.816 0.187 542 2HD LYS 70 2HD LYS 70 -13.999 -7.470 1.919 543 1HE LYS 70 1HE LYS 70 -15.427 -5.661 1.721 544 2HE LYS 70 2HE LYS 70 -15.054 -5.426 0.016 545 1HZ LYS 70 1HZ LYS 70 -16.215 -7.606 -0.366 546 2HZ LYS 70 2HZ LYS 70 -17.209 -6.321 0.106 547 3HZ LYS 70 3HZ LYS 70 -16.770 -7.509 1.228 548 H GLN 71 H GLN 71 -12.271 -6.271 -2.231 549 HA GLN 71 HA GLN 71 -14.236 -8.259 -2.581 550 1HB GLN 71 1HB GLN 71 -13.627 -5.626 -3.731 551 2HB GLN 71 2HB GLN 71 -14.492 -6.723 -4.807 552 1HG GLN 71 1HG GLN 71 -16.331 -6.866 -3.391 553 2HG GLN 71 2HG GLN 71 -15.422 -6.280 -2.000 554 1HE2 GLN 71 1HE2 GLN 71 -14.364 -4.025 -2.581 555 2HE2 GLN 71 2HE2 GLN 71 -15.501 -2.858 -3.163 556 H ARG 72 H ARG 72 -11.362 -7.443 -4.404 557 HA ARG 72 HA ARG 72 -11.883 -9.714 -6.187 558 1HB ARG 72 1HB ARG 72 -10.348 -7.177 -6.516 559 2HB ARG 72 2HB ARG 72 -9.901 -8.578 -7.481 560 1HG ARG 72 1HG ARG 72 -11.511 -8.100 -8.916 561 2HG ARG 72 2HG ARG 72 -12.712 -8.307 -7.641 562 1HD ARG 72 1HD ARG 72 -13.141 -6.129 -7.666 563 2HD ARG 72 2HD ARG 72 -11.454 -5.773 -7.297 564 HE ARG 72 HE ARG 72 -11.369 -6.231 -9.940 565 1HH1 ARG 72 1HH1 ARG 72 -13.455 -4.212 -7.995 566 2HH1 ARG 72 2HH1 ARG 72 -13.713 -3.055 -9.257 567 1HH2 ARG 72 1HH2 ARG 72 -11.712 -4.709 -11.594 568 2HH2 ARG 72 2HH2 ARG 72 -12.726 -3.336 -11.300 569 H HIS 73 H HIS 73 -9.168 -8.164 -4.564 570 HA HIS 73 HA HIS 73 -7.546 -10.538 -4.810 571 1HB HIS 73 1HB HIS 73 -6.704 -8.241 -3.095 572 2HB HIS 73 2HB HIS 73 -5.751 -9.214 -4.216 573 HD1 HIS 73 HD1 HIS 73 -7.016 -8.839 -6.844 574 HD2 HIS 73 HD2 HIS 73 -6.799 -5.739 -4.091 575 HE1 HIS 73 HE1 HIS 73 -7.327 -6.735 -8.182 576 HE2 HIS 73 HE2 HIS 73 -7.047 -4.864 -6.517 577 HA PRO 74 HA PRO 74 -8.634 -12.459 -1.014 578 1HB PRO 74 1HB PRO 74 -6.284 -13.742 -0.447 579 2HB PRO 74 2HB PRO 74 -7.457 -14.306 -1.641 580 1HG PRO 74 1HG PRO 74 -4.911 -12.803 -2.048 581 2HG PRO 74 2HG PRO 74 -5.613 -14.109 -3.017 582 1HD PRO 74 1HD PRO 74 -5.748 -11.500 -3.742 583 2HD PRO 74 2HD PRO 74 -7.004 -12.681 -4.161 584 H MET 75 H MET 75 -5.186 -11.952 -0.372 585 HA MET 75 HA MET 75 -5.942 -10.131 1.798 586 1HB MET 75 1HB MET 75 -4.399 -12.648 1.913 587 2HB MET 75 2HB MET 75 -3.781 -11.312 2.875 588 1HG MET 75 1HG MET 75 -5.709 -11.201 4.181 589 2HG MET 75 2HG MET 75 -6.652 -12.141 3.026 590 1HE MET 75 1HE MET 75 -7.449 -13.087 5.314 591 2HE MET 75 2HE MET 75 -6.823 -14.646 5.848 592 3HE MET 75 3HE MET 75 -7.476 -14.469 4.219 593 H LEU 76 H LEU 76 -5.166 -9.134 -0.596 594 HA LEU 76 HA LEU 76 -2.435 -8.681 -0.971 595 1HB LEU 76 1HB LEU 76 -4.496 -8.078 -2.448 596 2HB LEU 76 2HB LEU 76 -4.495 -6.586 -1.531 597 HG LEU 76 HG LEU 76 -3.314 -6.637 -3.813 598 1HD1 LEU 76 1HD1 LEU 76 -1.429 -5.526 -1.872 599 2HD1 LEU 76 2HD1 LEU 76 -3.116 -5.081 -1.599 600 3HD1 LEU 76 3HD1 LEU 76 -2.350 -4.734 -3.152 601 1HD2 LEU 76 1HD2 LEU 76 -0.922 -7.523 -2.278 602 2HD2 LEU 76 2HD2 LEU 76 -1.234 -7.570 -4.014 603 3HD2 LEU 76 3HD2 LEU 76 -2.004 -8.746 -2.949 604 HA PRO 77 HA PRO 77 -1.842 -6.360 2.897 605 1HB PRO 77 1HB PRO 77 0.886 -6.163 1.731 606 2HB PRO 77 2HB PRO 77 0.390 -6.665 3.349 607 1HG PRO 77 1HG PRO 77 1.198 -8.480 1.598 608 2HG PRO 77 2HG PRO 77 -0.196 -8.811 2.642 609 1HD PRO 77 1HD PRO 77 -0.146 -7.975 -0.240 610 2HD PRO 77 2HD PRO 77 -1.148 -9.208 0.555 611 H VAL 78 H VAL 78 -2.616 -4.362 2.890 612 HA VAL 78 HA VAL 78 -1.604 -2.420 0.925 613 HB VAL 78 HB VAL 78 -4.141 -2.069 2.495 614 1HG1 VAL 78 1HG1 VAL 78 -4.450 -0.928 0.016 615 2HG1 VAL 78 2HG1 VAL 78 -2.743 -0.649 0.363 616 3HG1 VAL 78 3HG1 VAL 78 -3.975 -0.083 1.489 617 1HG2 VAL 78 1HG2 VAL 78 -3.760 -3.576 -0.085 618 2HG2 VAL 78 2HG2 VAL 78 -5.319 -2.938 0.435 619 3HG2 VAL 78 3HG2 VAL 78 -4.492 -4.153 1.410 620 H ILE 79 H ILE 79 -1.190 -0.302 1.612 621 HA ILE 79 HA ILE 79 -1.081 0.167 4.494 622 HB ILE 79 HB ILE 79 1.289 0.758 2.758 623 1HG1 ILE 79 1HG1 ILE 79 1.398 -1.429 4.770 624 2HG1 ILE 79 2HG1 ILE 79 0.660 -1.777 3.210 625 1HG2 ILE 79 1HG2 ILE 79 2.094 1.819 4.523 626 2HG2 ILE 79 2HG2 ILE 79 1.784 0.434 5.569 627 3HG2 ILE 79 3HG2 ILE 79 0.517 1.628 5.286 628 1HD1 ILE 79 1HD1 ILE 79 2.728 -2.236 2.559 629 2HD1 ILE 79 2HD1 ILE 79 3.456 -1.370 3.911 630 3HD1 ILE 79 3HD1 ILE 79 2.933 -0.489 2.473 631 H ILE 80 H ILE 80 -2.145 1.990 4.770 632 HA ILE 80 HA ILE 80 -2.169 3.960 2.622 633 HB ILE 80 HB ILE 80 -3.703 4.293 5.162 634 1HG1 ILE 80 1HG1 ILE 80 -4.111 1.968 4.536 635 2HG1 ILE 80 2HG1 ILE 80 -5.535 2.940 4.199 636 1HG2 ILE 80 1HG2 ILE 80 -5.112 5.612 3.904 637 2HG2 ILE 80 2HG2 ILE 80 -4.670 4.823 2.390 638 3HG2 ILE 80 3HG2 ILE 80 -3.542 5.929 3.172 639 1HD1 ILE 80 1HD1 ILE 80 -3.510 2.010 2.187 640 2HD1 ILE 80 2HD1 ILE 80 -4.905 3.032 1.838 641 3HD1 ILE 80 3HD1 ILE 80 -5.142 1.380 2.411 642 H MET 81 H MET 81 -1.175 5.858 2.670 643 HA MET 81 HA MET 81 0.686 6.442 4.774 644 1HB MET 81 1HB MET 81 0.831 8.681 3.346 645 2HB MET 81 2HB MET 81 1.632 7.199 2.865 646 1HG MET 81 1HG MET 81 -1.039 7.276 1.811 647 2HG MET 81 2HG MET 81 -0.159 8.738 1.387 648 1HE MET 81 1HE MET 81 0.609 5.153 2.083 649 2HE MET 81 2HE MET 81 1.782 4.690 0.858 650 3HE MET 81 3HE MET 81 0.062 4.556 0.517 651 H THR 82 H THR 82 -2.588 7.014 4.501 652 HA THR 82 HA THR 82 -2.456 8.999 6.631 653 HB THR 82 HB THR 82 -4.352 9.480 4.343 654 HG1 THR 82 HG1 THR 82 -2.852 10.450 3.234 655 1HG2 THR 82 1HG2 THR 82 -3.436 11.046 6.697 656 2HG2 THR 82 2HG2 THR 82 -5.062 10.815 6.053 657 3HG2 THR 82 3HG2 THR 82 -3.932 11.886 5.227 658 H ALA 83 H ALA 83 -4.493 9.203 7.806 659 HA ALA 83 HA ALA 83 -6.464 7.101 7.306 660 1HB ALA 83 1HB ALA 83 -5.613 7.354 10.127 661 2HB ALA 83 2HB ALA 83 -4.514 6.512 9.033 662 3HB ALA 83 3HB ALA 83 -6.175 5.940 9.229 663 H HIS 84 H HIS 84 -6.869 9.751 6.826 664 HA HIS 84 HA HIS 84 -7.964 11.118 9.088 665 1HB HIS 84 1HB HIS 84 -8.251 11.700 6.134 666 2HB HIS 84 2HB HIS 84 -8.716 12.787 7.438 667 HD1 HIS 84 HD1 HIS 84 -5.968 11.913 9.043 668 HD2 HIS 84 HD2 HIS 84 -6.358 13.646 5.287 669 HE1 HIS 84 HE1 HIS 84 -3.772 13.055 8.599 670 HE2 HIS 84 HE2 HIS 84 -4.000 14.021 6.284 671 H SER 85 H SER 85 -9.742 10.414 10.051 672 HA SER 85 HA SER 85 -11.841 9.608 10.410 673 1HB SER 85 1HB SER 85 -12.536 10.939 7.792 674 2HB SER 85 2HB SER 85 -13.588 10.673 9.182 675 HG SER 85 HG SER 85 -11.748 12.659 8.716 676 H ASP 86 H ASP 86 -13.810 8.507 9.226 677 HA ASP 86 HA ASP 86 -14.612 6.648 8.208 678 1HB ASP 86 1HB ASP 86 -12.368 7.237 6.273 679 2HB ASP 86 2HB ASP 86 -13.633 6.043 5.992 680 H LEU 87 H LEU 87 -12.124 6.619 10.076 681 HA LEU 87 HA LEU 87 -10.391 4.568 9.632 682 1HB LEU 87 1HB LEU 87 -11.072 6.145 11.761 683 2HB LEU 87 2HB LEU 87 -11.523 4.554 12.340 684 HG LEU 87 HG LEU 87 -9.253 5.172 13.024 685 1HD1 LEU 87 1HD1 LEU 87 -8.634 3.047 11.114 686 2HD1 LEU 87 2HD1 LEU 87 -10.093 2.777 12.066 687 3HD1 LEU 87 3HD1 LEU 87 -8.552 3.055 12.875 688 1HD2 LEU 87 1HD2 LEU 87 -7.982 6.328 11.619 689 2HD2 LEU 87 2HD2 LEU 87 -9.040 5.954 10.259 690 3HD2 LEU 87 3HD2 LEU 87 -7.747 4.841 10.702 691 H ASP 88 H ASP 88 -13.787 4.296 10.194 692 HA ASP 88 HA ASP 88 -14.147 1.820 11.283 693 1HB ASP 88 1HB ASP 88 -15.723 3.127 9.064 694 2HB ASP 88 2HB ASP 88 -16.262 1.702 9.948 695 H ALA 89 H ALA 89 -13.559 2.482 7.829 696 HA ALA 89 HA ALA 89 -13.736 -0.263 7.107 697 1HB ALA 89 1HB ALA 89 -14.200 1.623 5.559 698 2HB ALA 89 2HB ALA 89 -13.090 0.414 4.914 699 3HB ALA 89 3HB ALA 89 -12.471 1.945 5.521 700 H ALA 90 H ALA 90 -11.228 1.672 8.426 701 HA ALA 90 HA ALA 90 -8.961 0.400 7.387 702 1HB ALA 90 1HB ALA 90 -8.742 1.133 10.214 703 2HB ALA 90 2HB ALA 90 -9.363 2.420 9.182 704 3HB ALA 90 3HB ALA 90 -7.802 1.677 8.824 705 H VAL 91 H VAL 91 -11.132 -0.475 10.017 706 HA VAL 91 HA VAL 91 -9.559 -2.589 11.027 707 HB VAL 91 HB VAL 91 -12.561 -2.527 11.185 708 1HG1 VAL 91 1HG1 VAL 91 -10.353 -3.982 12.474 709 2HG1 VAL 91 2HG1 VAL 91 -12.038 -4.453 12.235 710 3HG1 VAL 91 3HG1 VAL 91 -11.601 -3.390 13.574 711 1HG2 VAL 91 1HG2 VAL 91 -10.587 -1.052 12.935 712 2HG2 VAL 91 2HG2 VAL 91 -12.318 -1.200 13.241 713 3HG2 VAL 91 3HG2 VAL 91 -11.745 -0.312 11.830 714 H SER 92 H SER 92 -11.983 -2.391 8.495 715 HA SER 92 HA SER 92 -12.204 -5.178 8.037 716 1HB SER 92 1HB SER 92 -12.613 -3.046 5.940 717 2HB SER 92 2HB SER 92 -13.406 -4.618 6.065 718 HG SER 92 HG SER 92 -14.700 -2.801 6.770 719 H ALA 93 H ALA 93 -9.906 -2.761 7.180 720 HA ALA 93 HA ALA 93 -8.716 -3.982 4.952 721 1HB ALA 93 1HB ALA 93 -8.462 -1.608 5.761 722 2HB ALA 93 2HB ALA 93 -6.994 -2.398 5.202 723 3HB ALA 93 3HB ALA 93 -7.300 -2.227 6.928 724 H TYR 94 H TYR 94 -7.919 -4.094 8.380 725 HA TYR 94 HA TYR 94 -5.710 -5.830 8.155 726 1HB TYR 94 1HB TYR 94 -7.534 -5.876 10.545 727 2HB TYR 94 2HB TYR 94 -5.782 -6.038 10.489 728 HD1 TYR 94 HD1 TYR 94 -8.169 -3.998 11.708 729 HD2 TYR 94 HD2 TYR 94 -4.779 -3.760 9.144 730 HE1 TYR 94 HE1 TYR 94 -7.944 -1.606 12.234 731 HE2 TYR 94 HE2 TYR 94 -4.551 -1.366 9.665 732 HH TYR 94 HH TYR 94 -6.603 0.511 10.630 733 H GLN 95 H GLN 95 -9.107 -6.291 8.086 734 HA GLN 95 HA GLN 95 -9.101 -9.123 8.539 735 1HB GLN 95 1HB GLN 95 -11.101 -8.096 9.162 736 2HB GLN 95 2HB GLN 95 -11.146 -7.085 7.731 737 1HG GLN 95 1HG GLN 95 -11.347 -9.665 6.734 738 2HG GLN 95 2HG GLN 95 -12.315 -9.690 8.205 739 1HE2 GLN 95 1HE2 GLN 95 -11.711 -7.114 5.854 740 2HE2 GLN 95 2HE2 GLN 95 -13.369 -6.860 5.441 741 H GLN 96 H GLN 96 -9.277 -6.985 5.718 742 HA GLN 96 HA GLN 96 -9.581 -9.143 3.884 743 1HB GLN 96 1HB GLN 96 -9.388 -7.510 2.137 744 2HB GLN 96 2HB GLN 96 -10.423 -6.868 3.405 745 1HG GLN 96 1HG GLN 96 -9.176 -5.039 3.265 746 2HG GLN 96 2HG GLN 96 -7.951 -5.955 4.133 747 1HE2 GLN 96 1HE2 GLN 96 -7.516 -3.811 2.310 748 2HE2 GLN 96 2HE2 GLN 96 -6.586 -4.431 0.994 749 H GLY 97 H GLY 97 -6.882 -7.783 5.481 750 1HA GLY 97 1HA GLY 97 -4.883 -9.283 5.228 751 2HA GLY 97 2HA GLY 97 -5.094 -9.058 3.501 752 H ALA 98 H ALA 98 -5.873 -6.153 4.780 753 HA ALA 98 HA ALA 98 -3.649 -4.814 3.807 754 1HB ALA 98 1HB ALA 98 -5.431 -3.813 6.011 755 2HB ALA 98 2HB ALA 98 -5.887 -3.823 4.307 756 3HB ALA 98 3HB ALA 98 -4.516 -2.855 4.848 757 H PHE 99 H PHE 99 -1.960 -3.624 4.962 758 HA PHE 99 HA PHE 99 -0.889 -5.230 7.099 759 1HB PHE 99 1HB PHE 99 0.591 -4.508 5.261 760 2HB PHE 99 2HB PHE 99 0.347 -2.831 5.748 761 HD1 PHE 99 HD1 PHE 99 1.306 -6.079 7.318 762 HD2 PHE 99 HD2 PHE 99 1.988 -1.888 7.045 763 HE1 PHE 99 HE1 PHE 99 3.140 -6.277 8.945 764 HE2 PHE 99 HE2 PHE 99 3.826 -2.078 8.668 765 HZ PHE 99 HZ PHE 99 4.403 -4.274 9.622 766 H ASP 100 H ASP 100 -1.576 -1.751 6.624 767 HA ASP 100 HA ASP 100 -2.781 -1.332 9.078 768 1HB ASP 100 1HB ASP 100 0.019 -1.774 9.372 769 2HB ASP 100 2HB ASP 100 -0.303 -0.089 9.757 770 H TYR 101 H TYR 101 -1.717 1.171 9.848 771 HA TYR 101 HA TYR 101 -2.065 2.777 7.409 772 1HB TYR 101 1HB TYR 101 -3.635 2.812 9.911 773 2HB TYR 101 2HB TYR 101 -3.177 4.394 9.284 774 HD1 TYR 101 HD1 TYR 101 -4.929 1.242 8.410 775 HD2 TYR 101 HD2 TYR 101 -4.273 5.333 7.441 776 HE1 TYR 101 HE1 TYR 101 -6.763 1.147 6.776 777 HE2 TYR 101 HE2 TYR 101 -6.114 5.253 5.810 778 HH TYR 101 HH TYR 101 -7.287 2.710 4.490 779 H LEU 102 H LEU 102 -0.502 4.171 7.069 780 HA LEU 102 HA LEU 102 1.275 4.889 9.297 781 1HB LEU 102 1HB LEU 102 2.431 3.770 7.532 782 2HB LEU 102 2HB LEU 102 1.704 4.791 6.316 783 HG LEU 102 HG LEU 102 2.991 6.688 7.676 784 1HD1 LEU 102 1HD1 LEU 102 5.255 4.970 7.908 785 2HD1 LEU 102 2HD1 LEU 102 3.942 4.322 8.893 786 3HD1 LEU 102 3HD1 LEU 102 4.497 5.979 9.139 787 1HD2 LEU 102 1HD2 LEU 102 4.034 6.854 5.718 788 2HD2 LEU 102 2HD2 LEU 102 3.349 5.294 5.270 789 3HD2 LEU 102 3HD2 LEU 102 4.944 5.374 6.017 790 HA PRO 103 HA PRO 103 -0.302 9.026 9.272 791 1HB PRO 103 1HB PRO 103 2.085 10.307 9.921 792 2HB PRO 103 2HB PRO 103 0.947 9.622 11.078 793 1HG PRO 103 1HG PRO 103 3.458 8.439 9.967 794 2HG PRO 103 2HG PRO 103 2.821 8.372 11.622 795 1HD PRO 103 1HD PRO 103 2.598 6.280 9.980 796 2HD PRO 103 2HD PRO 103 1.276 6.713 11.086 797 H LYS 104 H LYS 104 0.084 11.121 8.139 798 HA LYS 104 HA LYS 104 0.274 10.900 5.461 799 1HB LYS 104 1HB LYS 104 -0.105 12.995 7.104 800 2HB LYS 104 2HB LYS 104 1.478 13.401 6.448 801 1HG LYS 104 1HG LYS 104 -1.038 12.869 4.880 802 2HG LYS 104 2HG LYS 104 -0.240 14.425 5.107 803 1HD LYS 104 1HD LYS 104 0.727 13.961 3.128 804 2HD LYS 104 2HD LYS 104 1.795 12.937 4.087 805 1HE LYS 104 1HE LYS 104 0.569 10.985 3.541 806 2HE LYS 104 2HE LYS 104 -0.779 11.920 2.899 807 1HZ LYS 104 1HZ LYS 104 1.925 11.978 1.682 808 2HZ LYS 104 2HZ LYS 104 0.471 12.523 1.010 809 3HZ LYS 104 3HZ LYS 104 0.740 10.863 1.207 810 HA PRO 105 HA PRO 105 5.123 12.040 5.687 811 1HB PRO 105 1HB PRO 105 5.532 10.072 7.911 812 2HB PRO 105 2HB PRO 105 6.464 11.522 7.512 813 1HG PRO 105 1HG PRO 105 4.732 11.553 9.525 814 2HG PRO 105 2HG PRO 105 4.889 12.952 8.446 815 1HD PRO 105 1HD PRO 105 2.736 10.910 8.592 816 2HD PRO 105 2HD PRO 105 2.633 12.621 8.149 817 H PHE 106 H PHE 106 6.731 10.545 4.762 818 HA PHE 106 HA PHE 106 6.064 7.779 4.487 819 1HB PHE 106 1HB PHE 106 4.504 9.267 2.962 820 2HB PHE 106 2HB PHE 106 5.897 9.267 1.897 821 HD1 PHE 106 HD1 PHE 106 6.332 7.469 0.500 822 HD2 PHE 106 HD2 PHE 106 3.508 7.037 3.664 823 HE1 PHE 106 HE1 PHE 106 5.623 5.309 -0.433 824 HE2 PHE 106 HE2 PHE 106 2.803 4.872 2.733 825 HZ PHE 106 HZ PHE 106 3.856 4.011 0.681 826 H ASP 107 H ASP 107 7.477 9.483 1.755 827 HA ASP 107 HA ASP 107 9.524 9.175 0.788 828 1HB ASP 107 1HB ASP 107 11.321 10.187 2.021 829 2HB ASP 107 2HB ASP 107 9.844 11.065 2.406 830 H ILE 108 H ILE 108 11.949 8.267 1.545 831 HA ILE 108 HA ILE 108 11.527 5.487 1.623 832 HB ILE 108 HB ILE 108 13.884 7.246 1.536 833 1HG1 ILE 108 1HG1 ILE 108 14.330 6.088 -0.499 834 2HG1 ILE 108 2HG1 ILE 108 13.189 4.810 -0.079 835 1HG2 ILE 108 1HG2 ILE 108 14.330 4.305 1.897 836 2HG2 ILE 108 2HG2 ILE 108 14.406 5.433 3.249 837 3HG2 ILE 108 3HG2 ILE 108 15.516 5.607 1.894 838 1HD1 ILE 108 1HD1 ILE 108 11.357 6.438 -0.203 839 2HD1 ILE 108 2HD1 ILE 108 12.220 6.281 -1.728 840 3HD1 ILE 108 3HD1 ILE 108 12.512 7.674 -0.692 841 H ASP 109 H ASP 109 12.869 7.673 4.019 842 HA ASP 109 HA ASP 109 13.504 5.812 5.941 843 1HB ASP 109 1HB ASP 109 12.646 8.678 6.138 844 2HB ASP 109 2HB ASP 109 12.895 7.733 7.601 845 H GLU 110 H GLU 110 10.376 7.565 5.730 846 HA GLU 110 HA GLU 110 9.254 5.932 7.763 847 1HB GLU 110 1HB GLU 110 7.810 7.842 5.940 848 2HB GLU 110 2HB GLU 110 7.229 7.203 7.467 849 1HG GLU 110 1HG GLU 110 9.805 8.636 7.542 850 2HG GLU 110 2HG GLU 110 8.370 9.605 7.205 851 H ALA 111 H ALA 111 9.184 5.805 4.258 852 HA ALA 111 HA ALA 111 7.019 3.898 4.267 853 1HB ALA 111 1HB ALA 111 8.690 5.114 2.129 854 2HB ALA 111 2HB ALA 111 6.941 5.149 2.344 855 3HB ALA 111 3HB ALA 111 7.737 3.673 1.793 856 H VAL 112 H VAL 112 10.435 3.753 3.195 857 HA VAL 112 HA VAL 112 10.571 1.021 2.853 858 HB VAL 112 HB VAL 112 12.817 2.695 3.965 859 1HG1 VAL 112 1HG1 VAL 112 13.565 0.619 2.125 860 2HG1 VAL 112 2HG1 VAL 112 12.605 -0.054 3.446 861 3HG1 VAL 112 3HG1 VAL 112 14.071 0.866 3.798 862 1HG2 VAL 112 1HG2 VAL 112 11.573 2.580 1.299 863 2HG2 VAL 112 2HG2 VAL 112 13.335 2.495 1.324 864 3HG2 VAL 112 3HG2 VAL 112 12.508 3.862 2.066 865 H ALA 113 H ALA 113 10.714 2.894 5.767 866 HA ALA 113 HA ALA 113 11.634 0.956 7.572 867 1HB ALA 113 1HB ALA 113 11.371 2.680 8.969 868 2HB ALA 113 2HB ALA 113 9.619 2.587 8.779 869 3HB ALA 113 3HB ALA 113 10.570 3.570 7.675 870 H LEU 114 H LEU 114 8.383 1.928 6.667 871 HA LEU 114 HA LEU 114 7.084 -0.122 8.133 872 1HB LEU 114 1HB LEU 114 6.222 2.173 7.572 873 2HB LEU 114 2HB LEU 114 5.952 1.587 5.946 874 HG LEU 114 HG LEU 114 4.346 -0.061 6.801 875 1HD1 LEU 114 1HD1 LEU 114 5.009 1.189 9.459 876 2HD1 LEU 114 2HD1 LEU 114 5.117 -0.508 8.998 877 3HD1 LEU 114 3HD1 LEU 114 3.537 0.259 9.165 878 1HD2 LEU 114 1HD2 LEU 114 3.161 1.735 6.138 879 2HD2 LEU 114 2HD2 LEU 114 4.077 2.853 7.141 880 3HD2 LEU 114 3HD2 LEU 114 2.809 1.858 7.859 881 H VAL 115 H VAL 115 8.398 0.007 4.924 882 HA VAL 115 HA VAL 115 6.668 -2.055 3.909 883 HB VAL 115 HB VAL 115 7.768 -0.314 2.429 884 1HG1 VAL 115 1HG1 VAL 115 9.977 -0.551 1.715 885 2HG1 VAL 115 2HG1 VAL 115 10.128 -2.164 2.412 886 3HG1 VAL 115 3HG1 VAL 115 10.063 -0.750 3.460 887 1HG2 VAL 115 1HG2 VAL 115 8.336 -3.090 1.451 888 2HG2 VAL 115 2HG2 VAL 115 7.694 -1.707 0.568 889 3HG2 VAL 115 3HG2 VAL 115 6.681 -2.550 1.739 890 H GLU 116 H GLU 116 10.088 -1.936 4.881 891 HA GLU 116 HA GLU 116 10.643 -4.637 4.382 892 1HB GLU 116 1HB GLU 116 11.885 -2.609 6.226 893 2HB GLU 116 2HB GLU 116 12.479 -4.262 6.139 894 1HG GLU 116 1HG GLU 116 12.762 -3.916 3.667 895 2HG GLU 116 2HG GLU 116 12.427 -2.208 3.949 896 H ARG 117 H ARG 117 9.772 -3.025 7.443 897 HA ARG 117 HA ARG 117 9.711 -5.364 8.986 898 1HB ARG 117 1HB ARG 117 8.428 -4.067 10.612 899 2HB ARG 117 2HB ARG 117 9.782 -3.136 9.985 900 1HG ARG 117 1HG ARG 117 8.316 -1.504 9.635 901 2HG ARG 117 2HG ARG 117 7.724 -2.474 8.286 902 1HD ARG 117 1HD ARG 117 5.815 -1.961 9.554 903 2HD ARG 117 2HD ARG 117 6.215 -3.625 9.965 904 HE ARG 117 HE ARG 117 6.454 -2.954 12.116 905 1HH1 ARG 117 1HH1 ARG 117 6.976 -0.141 10.098 906 2HH1 ARG 117 2HH1 ARG 117 7.194 0.928 11.443 907 1HH2 ARG 117 1HH2 ARG 117 6.740 -1.544 13.868 908 2HH2 ARG 117 2HH2 ARG 117 7.061 0.133 13.577 909 H ALA 118 H ALA 118 7.462 -4.079 6.713 910 HA ALA 118 HA ALA 118 5.181 -5.511 7.652 911 1HB ALA 118 1HB ALA 118 4.130 -4.847 5.547 912 2HB ALA 118 2HB ALA 118 5.683 -4.257 4.958 913 3HB ALA 118 3HB ALA 118 4.911 -3.480 6.340 914 H ILE 119 H ILE 119 7.339 -5.937 4.853 915 HA ILE 119 HA ILE 119 6.217 -8.413 4.070 916 HB ILE 119 HB ILE 119 8.997 -7.428 3.460 917 1HG1 ILE 119 1HG1 ILE 119 6.809 -6.961 1.522 918 2HG1 ILE 119 2HG1 ILE 119 6.786 -5.952 2.963 919 1HG2 ILE 119 1HG2 ILE 119 8.783 -9.664 2.760 920 2HG2 ILE 119 2HG2 ILE 119 8.543 -8.686 1.311 921 3HG2 ILE 119 3HG2 ILE 119 7.155 -9.396 2.138 922 1HD1 ILE 119 1HD1 ILE 119 7.996 -5.027 0.958 923 2HD1 ILE 119 2HD1 ILE 119 9.222 -6.263 1.248 924 3HD1 ILE 119 3HD1 ILE 119 8.894 -5.039 2.476 925 H SER 120 H SER 120 8.734 -7.469 6.255 926 HA SER 120 HA SER 120 9.987 -9.976 6.569 927 1HB SER 120 1HB SER 120 11.148 -9.011 8.379 928 2HB SER 120 2HB SER 120 10.822 -7.650 7.307 929 HG SER 120 HG SER 120 9.633 -8.310 9.764 930 H HIS 121 H HIS 121 7.381 -8.349 8.339 931 HA HIS 121 HA HIS 121 7.033 -10.488 10.204 932 1HB HIS 121 1HB HIS 121 5.606 -7.945 9.583 933 2HB HIS 121 2HB HIS 121 4.747 -9.177 10.501 934 HD1 HIS 121 HD1 HIS 121 6.369 -6.245 11.195 935 HD2 HIS 121 HD2 HIS 121 6.893 -10.096 12.664 936 HE1 HIS 121 HE1 HIS 121 7.536 -5.968 13.406 937 HE2 HIS 121 HE2 HIS 121 7.783 -8.308 14.307 938 H TYR 122 H TYR 122 5.756 -9.683 7.094 939 HA TYR 122 HA TYR 122 3.549 -11.499 7.211 940 1HB TYR 122 1HB TYR 122 3.613 -9.434 5.775 941 2HB TYR 122 2HB TYR 122 4.792 -10.254 4.757 942 HD1 TYR 122 HD1 TYR 122 1.618 -11.448 6.339 943 HD2 TYR 122 HD2 TYR 122 3.789 -10.750 2.746 944 HE1 TYR 122 HE1 TYR 122 -0.203 -12.480 5.043 945 HE2 TYR 122 HE2 TYR 122 1.977 -11.778 1.443 946 HH TYR 122 HH TYR 122 0.141 -13.267 1.702 947 H GLN 123 H GLN 123 6.565 -11.440 5.315 948 HA GLN 123 HA GLN 123 6.285 -14.198 4.585 949 1HB GLN 123 1HB GLN 123 7.401 -12.209 3.274 950 2HB GLN 123 2HB GLN 123 8.823 -12.667 4.200 951 1HG GLN 123 1HG GLN 123 9.258 -14.229 2.703 952 2HG GLN 123 2HG GLN 123 7.763 -15.047 3.151 953 1HE2 GLN 123 1HE2 GLN 123 6.248 -15.254 1.660 954 2HE2 GLN 123 2HE2 GLN 123 6.193 -14.410 0.153 955 H GLU 124 H GLU 124 8.343 -15.616 4.842 956 HA GLU 124 HA GLU 124 9.698 -15.216 7.383 957 1HB GLU 124 1HB GLU 124 7.405 -16.840 7.208 958 2HB GLU 124 2HB GLU 124 8.771 -17.946 7.284 959 1HG GLU 124 1HG GLU 124 8.146 -15.752 9.246 960 2HG GLU 124 2HG GLU 124 7.915 -17.481 9.497 Start of MODEL 5 1 1H MET 1 1H MET 1 10.958 -18.200 -1.318 2 2H MET 1 2H MET 1 12.566 -17.774 -0.899 3 3H MET 1 3H MET 1 12.252 -19.253 -1.708 4 HA MET 1 HA MET 1 12.978 -16.913 -2.837 5 1HB MET 1 1HB MET 1 12.611 -19.561 -3.530 6 2HB MET 1 2HB MET 1 11.474 -18.730 -4.582 7 1HG MET 1 1HG MET 1 13.240 -18.551 -5.938 8 2HG MET 1 2HG MET 1 13.654 -17.182 -4.909 9 1HE MET 1 1HE MET 1 16.363 -17.557 -5.809 10 2HE MET 1 2HE MET 1 15.539 -18.755 -6.808 11 3HE MET 1 3HE MET 1 16.980 -19.207 -5.897 12 H GLN 2 H GLN 2 11.754 -15.085 -2.538 13 HA GLN 2 HA GLN 2 9.005 -15.155 -3.596 14 1HB GLN 2 1HB GLN 2 10.222 -13.266 -1.576 15 2HB GLN 2 2HB GLN 2 8.585 -13.152 -2.206 16 1HG GLN 2 1HG GLN 2 8.015 -14.345 -0.416 17 2HG GLN 2 2HG GLN 2 8.661 -15.723 -1.306 18 1HE2 GLN 2 1HE2 GLN 2 9.794 -13.073 0.763 19 2HE2 GLN 2 2HE2 GLN 2 10.917 -14.027 1.665 20 H ARG 3 H ARG 3 8.472 -13.875 -5.255 21 HA ARG 3 HA ARG 3 10.394 -12.728 -6.907 22 1HB ARG 3 1HB ARG 3 8.187 -13.390 -7.709 23 2HB ARG 3 2HB ARG 3 7.438 -12.132 -6.740 24 1HG ARG 3 1HG ARG 3 8.109 -10.454 -8.151 25 2HG ARG 3 2HG ARG 3 9.495 -11.366 -8.751 26 1HD ARG 3 1HD ARG 3 7.442 -12.934 -9.570 27 2HD ARG 3 2HD ARG 3 6.701 -11.338 -9.669 28 HE ARG 3 HE ARG 3 8.781 -10.764 -11.030 29 1HH1 ARG 3 1HH1 ARG 3 7.302 -13.935 -11.013 30 2HH1 ARG 3 2HH1 ARG 3 7.866 -14.337 -12.598 31 1HH2 ARG 3 1HH2 ARG 3 9.512 -11.299 -13.112 32 2HH2 ARG 3 2HH2 ARG 3 9.116 -12.844 -13.788 33 H GLY 4 H GLY 4 8.828 -11.463 -4.119 34 1HA GLY 4 1HA GLY 4 8.988 -9.456 -3.023 35 2HA GLY 4 2HA GLY 4 10.546 -9.299 -3.817 36 H ILE 5 H ILE 5 7.081 -8.745 -4.240 37 HA ILE 5 HA ILE 5 7.725 -6.567 -6.129 38 HB ILE 5 HB ILE 5 5.049 -7.919 -5.924 39 1HG1 ILE 5 1HG1 ILE 5 6.093 -8.885 -8.246 40 2HG1 ILE 5 2HG1 ILE 5 7.516 -8.875 -7.208 41 1HG2 ILE 5 1HG2 ILE 5 5.560 -5.610 -7.067 42 2HG2 ILE 5 2HG2 ILE 5 4.455 -6.768 -7.808 43 3HG2 ILE 5 3HG2 ILE 5 6.116 -6.640 -8.387 44 1HD1 ILE 5 1HD1 ILE 5 6.722 -10.515 -5.874 45 2HD1 ILE 5 2HD1 ILE 5 5.843 -10.934 -7.346 46 3HD1 ILE 5 3HD1 ILE 5 5.043 -10.015 -6.070 47 H VAL 6 H VAL 6 7.442 -4.597 -5.277 48 HA VAL 6 HA VAL 6 5.391 -4.277 -3.183 49 HB VAL 6 HB VAL 6 7.623 -3.867 -2.259 50 1HG1 VAL 6 1HG1 VAL 6 9.228 -2.637 -3.234 51 2HG1 VAL 6 2HG1 VAL 6 8.092 -1.433 -3.835 52 3HG1 VAL 6 3HG1 VAL 6 8.312 -2.950 -4.703 53 1HG2 VAL 6 1HG2 VAL 6 6.930 -2.114 -1.031 54 2HG2 VAL 6 2HG2 VAL 6 5.441 -2.310 -1.953 55 3HG2 VAL 6 3HG2 VAL 6 6.632 -1.105 -2.445 56 H TRP 7 H TRP 7 3.723 -3.023 -3.689 57 HA TRP 7 HA TRP 7 4.058 -1.102 -5.899 58 1HB TRP 7 1HB TRP 7 1.700 -2.812 -5.116 59 2HB TRP 7 2HB TRP 7 1.528 -1.415 -6.176 60 HD1 TRP 7 HD1 TRP 7 4.767 -2.997 -6.884 61 HE1 TRP 7 HE1 TRP 7 4.653 -4.466 -8.976 62 HE3 TRP 7 HE3 TRP 7 -0.312 -3.242 -7.418 63 HZ2 TRP 7 HZ2 TRP 7 2.681 -5.601 -10.632 64 HZ3 TRP 7 HZ3 TRP 7 -1.229 -4.545 -9.295 65 HH2 TRP 7 HH2 TRP 7 0.242 -5.698 -10.866 66 H VAL 8 H VAL 8 3.630 0.984 -5.523 67 HA VAL 8 HA VAL 8 2.392 1.700 -2.934 68 HB VAL 8 HB VAL 8 4.215 3.648 -4.236 69 1HG1 VAL 8 1HG1 VAL 8 5.001 3.703 -1.749 70 2HG1 VAL 8 2HG1 VAL 8 3.491 2.850 -1.461 71 3HG1 VAL 8 3HG1 VAL 8 3.469 4.437 -2.219 72 1HG2 VAL 8 1HG2 VAL 8 5.789 2.071 -4.592 73 2HG2 VAL 8 2HG2 VAL 8 5.116 0.962 -3.392 74 3HG2 VAL 8 3HG2 VAL 8 6.099 2.332 -2.873 75 H VAL 9 H VAL 9 0.847 3.303 -2.915 76 HA VAL 9 HA VAL 9 0.284 4.637 -5.484 77 HB VAL 9 HB VAL 9 -2.089 4.288 -3.805 78 1HG1 VAL 9 1HG1 VAL 9 -2.787 4.935 -5.828 79 2HG1 VAL 9 2HG1 VAL 9 -2.610 3.243 -6.307 80 3HG1 VAL 9 3HG1 VAL 9 -1.312 4.409 -6.605 81 1HG2 VAL 9 1HG2 VAL 9 -2.438 1.928 -4.386 82 2HG2 VAL 9 2HG2 VAL 9 -1.061 2.147 -3.317 83 3HG2 VAL 9 3HG2 VAL 9 -0.798 1.860 -5.028 84 H ASP 10 H ASP 10 0.898 6.677 -5.168 85 HA ASP 10 HA ASP 10 -0.540 8.480 -3.645 86 1HB ASP 10 1HB ASP 10 0.561 7.237 -1.731 87 2HB ASP 10 2HB ASP 10 2.091 7.911 -2.280 88 H ASP 11 H ASP 11 -0.325 10.007 -5.151 89 HA ASP 11 HA ASP 11 0.553 11.700 -6.367 90 1HB ASP 11 1HB ASP 11 2.183 11.519 -4.063 91 2HB ASP 11 2HB ASP 11 3.257 11.802 -5.430 92 H ASP 12 H ASP 12 2.060 8.628 -6.393 93 HA ASP 12 HA ASP 12 3.476 7.576 -7.838 94 1HB ASP 12 1HB ASP 12 2.760 7.709 -10.152 95 2HB ASP 12 2HB ASP 12 1.349 7.768 -9.105 96 H SER 13 H SER 13 4.402 8.585 -10.425 97 HA SER 13 HA SER 13 6.500 9.311 -11.045 98 1HB SER 13 1HB SER 13 4.583 10.983 -11.528 99 2HB SER 13 2HB SER 13 5.413 12.004 -10.357 100 HG SER 13 HG SER 13 7.353 11.466 -11.736 101 H SER 14 H SER 14 6.095 12.013 -8.849 102 HA SER 14 HA SER 14 8.731 12.036 -7.991 103 1HB SER 14 1HB SER 14 6.214 13.131 -6.743 104 2HB SER 14 2HB SER 14 7.795 13.360 -5.996 105 HG SER 14 HG SER 14 6.997 14.191 -8.588 106 H ILE 15 H ILE 15 5.900 10.858 -6.167 107 HA ILE 15 HA ILE 15 7.365 9.725 -4.062 108 HB ILE 15 HB ILE 15 4.627 8.958 -5.113 109 1HG1 ILE 15 1HG1 ILE 15 4.891 11.326 -4.396 110 2HG1 ILE 15 2HG1 ILE 15 3.761 10.427 -3.392 111 1HG2 ILE 15 1HG2 ILE 15 4.370 7.480 -3.450 112 2HG2 ILE 15 2HG2 ILE 15 5.183 8.514 -2.277 113 3HG2 ILE 15 3HG2 ILE 15 6.128 7.490 -3.351 114 1HD1 ILE 15 1HD1 ILE 15 5.354 11.968 -2.199 115 2HD1 ILE 15 2HD1 ILE 15 6.629 10.827 -2.622 116 3HD1 ILE 15 3HD1 ILE 15 5.281 10.307 -1.610 117 H ARG 16 H ARG 16 6.868 8.703 -7.296 118 HA ARG 16 HA ARG 16 7.346 5.908 -6.873 119 1HB ARG 16 1HB ARG 16 6.064 6.850 -8.807 120 2HB ARG 16 2HB ARG 16 7.573 7.481 -9.440 121 1HG ARG 16 1HG ARG 16 8.449 5.140 -9.470 122 2HG ARG 16 2HG ARG 16 6.821 4.596 -9.068 123 1HD ARG 16 1HD ARG 16 6.356 6.266 -11.175 124 2HD ARG 16 2HD ARG 16 7.911 5.558 -11.605 125 HE ARG 16 HE ARG 16 5.472 4.004 -11.031 126 1HH1 ARG 16 1HH1 ARG 16 8.513 4.389 -12.725 127 2HH1 ARG 16 2HH1 ARG 16 8.326 2.926 -13.628 128 1HH2 ARG 16 1HH2 ARG 16 5.246 2.087 -12.213 129 2HH2 ARG 16 2HH2 ARG 16 6.477 1.621 -13.339 130 H TRP 17 H TRP 17 9.259 8.399 -8.561 131 HA TRP 17 HA TRP 17 11.551 7.021 -9.036 132 1HB TRP 17 1HB TRP 17 11.150 9.344 -9.754 133 2HB TRP 17 2HB TRP 17 11.422 9.892 -8.103 134 HD1 TRP 17 HD1 TRP 17 13.345 8.193 -10.992 135 HE1 TRP 17 HE1 TRP 17 15.837 8.785 -10.750 136 HE3 TRP 17 HE3 TRP 17 13.153 10.719 -6.552 137 HZ2 TRP 17 HZ2 TRP 17 17.502 10.142 -8.920 138 HZ3 TRP 17 HZ3 TRP 17 15.240 11.631 -5.623 139 HH2 TRP 17 HH2 TRP 17 17.370 11.346 -6.783 140 H VAL 18 H VAL 18 10.715 8.615 -5.976 141 HA VAL 18 HA VAL 18 13.190 8.113 -4.736 142 HB VAL 18 HB VAL 18 10.726 8.256 -3.071 143 1HG1 VAL 18 1HG1 VAL 18 13.254 9.828 -2.748 144 2HG1 VAL 18 2HG1 VAL 18 13.175 8.131 -2.273 145 3HG1 VAL 18 3HG1 VAL 18 12.098 9.308 -1.521 146 1HG2 VAL 18 1HG2 VAL 18 11.453 10.227 -5.092 147 2HG2 VAL 18 2HG2 VAL 18 11.369 10.905 -3.466 148 3HG2 VAL 18 3HG2 VAL 18 9.974 10.067 -4.144 149 H LEU 19 H LEU 19 10.090 6.569 -4.081 150 HA LEU 19 HA LEU 19 11.193 4.503 -2.531 151 1HB LEU 19 1HB LEU 19 8.529 5.097 -3.666 152 2HB LEU 19 2HB LEU 19 8.832 3.439 -3.182 153 HG LEU 19 HG LEU 19 9.167 5.820 -1.360 154 1HD1 LEU 19 1HD1 LEU 19 6.791 4.590 -2.273 155 2HD1 LEU 19 2HD1 LEU 19 6.980 5.800 -1.004 156 3HD1 LEU 19 3HD1 LEU 19 7.039 4.085 -0.601 157 1HD2 LEU 19 1HD2 LEU 19 9.167 4.054 0.392 158 2HD2 LEU 19 2HD2 LEU 19 10.558 3.982 -0.687 159 3HD2 LEU 19 3HD2 LEU 19 9.228 2.842 -0.887 160 H GLU 20 H GLU 20 10.708 4.731 -5.962 161 HA GLU 20 HA GLU 20 10.693 1.963 -6.483 162 1HB GLU 20 1HB GLU 20 11.004 2.470 -8.763 163 2HB GLU 20 2HB GLU 20 10.003 3.745 -8.104 164 1HG GLU 20 1HG GLU 20 11.913 5.232 -8.044 165 2HG GLU 20 2HG GLU 20 12.950 3.942 -8.651 166 H ARG 21 H ARG 21 13.324 4.294 -6.781 167 HA ARG 21 HA ARG 21 15.330 2.404 -7.318 168 1HB ARG 21 1HB ARG 21 15.475 5.193 -6.184 169 2HB ARG 21 2HB ARG 21 16.901 4.244 -6.586 170 1HG ARG 21 1HG ARG 21 15.045 4.276 -8.787 171 2HG ARG 21 2HG ARG 21 15.447 5.916 -8.275 172 1HD ARG 21 1HD ARG 21 17.456 3.756 -8.899 173 2HD ARG 21 2HD ARG 21 16.972 5.033 -10.015 174 HE ARG 21 HE ARG 21 17.786 6.442 -7.890 175 1HH1 ARG 21 1HH1 ARG 21 19.268 3.788 -9.607 176 2HH1 ARG 21 2HH1 ARG 21 20.884 4.298 -9.251 177 1HH2 ARG 21 1HH2 ARG 21 19.911 7.114 -7.423 178 2HH2 ARG 21 2HH2 ARG 21 21.250 6.185 -8.013 179 H ALA 22 H ALA 22 14.738 4.147 -4.245 180 HA ALA 22 HA ALA 22 16.609 2.821 -2.718 181 1HB ALA 22 1HB ALA 22 15.867 4.296 -1.239 182 2HB ALA 22 2HB ALA 22 14.422 3.311 -1.010 183 3HB ALA 22 3HB ALA 22 14.434 4.591 -2.223 184 H LEU 23 H LEU 23 13.269 1.869 -3.295 185 HA LEU 23 HA LEU 23 13.483 -0.423 -1.611 186 1HB LEU 23 1HB LEU 23 11.335 0.841 -2.349 187 2HB LEU 23 2HB LEU 23 11.423 -0.177 -3.774 188 HG LEU 23 HG LEU 23 10.888 -2.092 -2.620 189 1HD1 LEU 23 1HD1 LEU 23 12.584 -2.212 -0.999 190 2HD1 LEU 23 2HD1 LEU 23 11.070 -2.255 -0.097 191 3HD1 LEU 23 3HD1 LEU 23 12.009 -0.762 -0.172 192 1HD2 LEU 23 1HD2 LEU 23 9.105 -0.252 -2.448 193 2HD2 LEU 23 2HD2 LEU 23 9.542 -0.194 -0.740 194 3HD2 LEU 23 3HD2 LEU 23 8.926 -1.696 -1.446 195 H ALA 24 H ALA 24 14.252 0.270 -4.893 196 HA ALA 24 HA ALA 24 14.256 -2.398 -5.863 197 1HB ALA 24 1HB ALA 24 16.107 -0.297 -6.929 198 2HB ALA 24 2HB ALA 24 14.371 -0.173 -7.206 199 3HB ALA 24 3HB ALA 24 15.258 -1.577 -7.794 200 H GLY 25 H GLY 25 16.542 -0.342 -4.162 201 1HA GLY 25 1HA GLY 25 18.826 -1.989 -4.459 202 2HA GLY 25 2HA GLY 25 18.567 -0.809 -3.180 203 H ALA 26 H ALA 26 16.004 -2.222 -2.469 204 HA ALA 26 HA ALA 26 17.141 -4.003 -0.543 205 1HB ALA 26 1HB ALA 26 14.471 -2.844 -1.073 206 2HB ALA 26 2HB ALA 26 15.382 -2.951 0.434 207 3HB ALA 26 3HB ALA 26 14.524 -4.364 -0.180 208 H GLY 27 H GLY 27 15.946 -4.326 -3.718 209 1HA GLY 27 1HA GLY 27 16.267 -6.343 -4.934 210 2HA GLY 27 2HA GLY 27 16.070 -7.240 -3.440 211 H LEU 28 H LEU 28 13.763 -4.712 -4.295 212 HA LEU 28 HA LEU 28 11.898 -6.828 -5.076 213 1HB LEU 28 1HB LEU 28 10.708 -4.511 -3.714 214 2HB LEU 28 2HB LEU 28 10.289 -6.210 -3.619 215 HG LEU 28 HG LEU 28 12.596 -6.281 -2.273 216 1HD1 LEU 28 1HD1 LEU 28 11.804 -3.479 -2.340 217 2HD1 LEU 28 2HD1 LEU 28 13.387 -4.213 -2.114 218 3HD1 LEU 28 3HD1 LEU 28 12.254 -4.125 -0.764 219 1HD2 LEU 28 1HD2 LEU 28 10.556 -5.306 -0.490 220 2HD2 LEU 28 2HD2 LEU 28 11.229 -6.929 -0.644 221 3HD2 LEU 28 3HD2 LEU 28 9.885 -6.430 -1.672 222 H THR 29 H THR 29 9.858 -5.882 -6.091 223 HA THR 29 HA THR 29 10.710 -3.924 -8.103 224 HB THR 29 HB THR 29 8.415 -5.896 -8.073 225 HG1 THR 29 HG1 THR 29 10.902 -5.785 -9.394 226 1HG2 THR 29 1HG2 THR 29 8.688 -5.081 -10.664 227 2HG2 THR 29 2HG2 THR 29 8.860 -3.572 -9.767 228 3HG2 THR 29 3HG2 THR 29 7.420 -4.568 -9.552 229 H CYS 30 H CYS 30 10.282 -1.918 -7.432 230 HA CYS 30 HA CYS 30 7.790 -1.397 -5.996 231 1HB CYS 30 1HB CYS 30 9.793 -0.626 -4.898 232 2HB CYS 30 2HB CYS 30 10.277 0.266 -6.335 233 HG CYS 30 HG CYS 30 8.895 1.571 -4.238 234 H THR 31 H THR 31 6.115 -0.834 -7.188 235 HA THR 31 HA THR 31 6.541 1.065 -9.400 236 HB THR 31 HB THR 31 5.775 -1.358 -10.016 237 HG1 THR 31 HG1 THR 31 5.620 0.164 -11.580 238 1HG2 THR 31 1HG2 THR 31 3.715 -2.084 -9.554 239 2HG2 THR 31 2HG2 THR 31 3.009 -0.478 -9.698 240 3HG2 THR 31 3HG2 THR 31 3.804 -0.957 -8.199 241 H THR 32 H THR 32 4.850 2.682 -9.622 242 HA THR 32 HA THR 32 3.210 2.908 -7.201 243 HB THR 32 HB THR 32 3.577 5.319 -7.217 244 HG1 THR 32 HG1 THR 32 4.024 5.834 -9.281 245 1HG2 THR 32 1HG2 THR 32 5.238 3.550 -6.183 246 2HG2 THR 32 2HG2 THR 32 5.603 5.280 -6.184 247 3HG2 THR 32 3HG2 THR 32 6.326 4.224 -7.397 248 H PHE 33 H PHE 33 1.364 4.287 -7.316 249 HA PHE 33 HA PHE 33 0.231 4.602 -9.990 250 1HB PHE 33 1HB PHE 33 -1.268 3.352 -7.703 251 2HB PHE 33 2HB PHE 33 -1.836 3.575 -9.341 252 HD1 PHE 33 HD1 PHE 33 0.911 1.946 -7.439 253 HD2 PHE 33 HD2 PHE 33 -1.678 1.816 -10.809 254 HE1 PHE 33 HE1 PHE 33 1.776 -0.283 -8.011 255 HE2 PHE 33 HE2 PHE 33 -0.825 -0.413 -11.387 256 HZ PHE 33 HZ PHE 33 0.896 -1.473 -9.990 257 H GLU 34 H GLU 34 -1.987 5.785 -9.784 258 HA GLU 34 HA GLU 34 -1.465 8.363 -8.902 259 1HB GLU 34 1HB GLU 34 -3.893 8.762 -9.376 260 2HB GLU 34 2HB GLU 34 -2.990 7.999 -10.677 261 1HG GLU 34 1HG GLU 34 -4.697 6.565 -10.747 262 2HG GLU 34 2HG GLU 34 -3.929 5.829 -9.343 263 H ASN 35 H ASN 35 -3.956 6.184 -7.427 264 HA ASN 35 HA ASN 35 -3.337 7.360 -4.865 265 1HB ASN 35 1HB ASN 35 -5.092 8.801 -6.054 266 2HB ASN 35 2HB ASN 35 -6.195 7.455 -5.779 267 1HD2 ASN 35 1HD2 ASN 35 -6.915 7.023 -3.729 268 2HD2 ASN 35 2HD2 ASN 35 -6.665 8.094 -2.399 269 H GLY 36 H GLY 36 -5.035 4.981 -6.729 270 1HA GLY 36 1HA GLY 36 -4.543 2.860 -5.060 271 2HA GLY 36 2HA GLY 36 -6.069 3.526 -4.499 272 H ASN 37 H ASN 37 -7.475 4.151 -6.618 273 HA ASN 37 HA ASN 37 -8.574 1.844 -7.565 274 1HB ASN 37 1HB ASN 37 -8.770 4.642 -8.208 275 2HB ASN 37 2HB ASN 37 -8.885 3.674 -9.673 276 1HD2 ASN 37 1HD2 ASN 37 -9.922 2.759 -6.436 277 2HD2 ASN 37 2HD2 ASN 37 -11.604 2.642 -6.810 278 H GLU 38 H GLU 38 -5.814 3.569 -8.835 279 HA GLU 38 HA GLU 38 -5.604 2.241 -11.300 280 1HB GLU 38 1HB GLU 38 -4.292 4.286 -10.307 281 2HB GLU 38 2HB GLU 38 -3.165 3.046 -9.790 282 1HG GLU 38 1HG GLU 38 -2.231 3.497 -11.790 283 2HG GLU 38 2HG GLU 38 -3.425 2.323 -12.340 284 H VAL 39 H VAL 39 -3.852 1.557 -8.213 285 HA VAL 39 HA VAL 39 -2.547 -0.747 -9.026 286 HB VAL 39 HB VAL 39 -3.856 -0.621 -6.326 287 1HG1 VAL 39 1HG1 VAL 39 -2.282 -2.510 -7.371 288 2HG1 VAL 39 2HG1 VAL 39 -2.269 -2.093 -5.658 289 3HG1 VAL 39 3HG1 VAL 39 -1.042 -1.430 -6.736 290 1HG2 VAL 39 1HG2 VAL 39 -1.982 1.269 -7.489 291 2HG2 VAL 39 2HG2 VAL 39 -1.397 0.540 -5.997 292 3HG2 VAL 39 3HG2 VAL 39 -2.946 1.382 -6.022 293 H LEU 40 H LEU 40 -5.877 -0.404 -7.922 294 HA LEU 40 HA LEU 40 -6.594 -3.085 -7.737 295 1HB LEU 40 1HB LEU 40 -8.452 -0.991 -8.825 296 2HB LEU 40 2HB LEU 40 -8.843 -2.385 -7.838 297 HG LEU 40 HG LEU 40 -7.432 0.122 -6.932 298 1HD1 LEU 40 1HD1 LEU 40 -9.444 0.232 -5.424 299 2HD1 LEU 40 2HD1 LEU 40 -10.152 -1.038 -6.420 300 3HD1 LEU 40 3HD1 LEU 40 -9.756 0.519 -7.136 301 1HD2 LEU 40 1HD2 LEU 40 -8.165 -1.481 -4.741 302 2HD2 LEU 40 2HD2 LEU 40 -6.538 -1.069 -5.284 303 3HD2 LEU 40 3HD2 LEU 40 -7.317 -2.538 -5.870 304 H ALA 41 H ALA 41 -6.608 -0.936 -10.547 305 HA ALA 41 HA ALA 41 -7.713 -2.821 -12.345 306 1HB ALA 41 1HB ALA 41 -7.246 -1.269 -14.057 307 2HB ALA 41 2HB ALA 41 -5.954 -0.517 -13.120 308 3HB ALA 41 3HB ALA 41 -7.636 -0.308 -12.630 309 H ALA 42 H ALA 42 -4.414 -1.745 -11.766 310 HA ALA 42 HA ALA 42 -3.204 -3.509 -13.617 311 1HB ALA 42 1HB ALA 42 -1.148 -2.744 -12.829 312 2HB ALA 42 2HB ALA 42 -1.769 -2.438 -11.208 313 3HB ALA 42 3HB ALA 42 -2.226 -1.379 -12.543 314 H LEU 43 H LEU 43 -4.280 -3.844 -10.349 315 HA LEU 43 HA LEU 43 -2.729 -6.115 -9.671 316 1HB LEU 43 1HB LEU 43 -5.061 -4.690 -8.523 317 2HB LEU 43 2HB LEU 43 -4.786 -6.339 -7.992 318 HG LEU 43 HG LEU 43 -2.582 -4.309 -7.897 319 1HD1 LEU 43 1HD1 LEU 43 -4.862 -4.671 -5.997 320 2HD1 LEU 43 2HD1 LEU 43 -4.175 -3.181 -6.637 321 3HD1 LEU 43 3HD1 LEU 43 -3.288 -4.115 -5.432 322 1HD2 LEU 43 1HD2 LEU 43 -1.567 -6.249 -7.377 323 2HD2 LEU 43 2HD2 LEU 43 -3.076 -7.039 -6.920 324 3HD2 LEU 43 3HD2 LEU 43 -2.272 -5.954 -5.786 325 H ALA 44 H ALA 44 -5.642 -5.666 -11.448 326 HA ALA 44 HA ALA 44 -6.839 -8.179 -11.138 327 1HB ALA 44 1HB ALA 44 -7.448 -7.411 -13.725 328 2HB ALA 44 2HB ALA 44 -7.136 -5.889 -12.890 329 3HB ALA 44 3HB ALA 44 -8.353 -7.002 -12.267 330 H SER 45 H SER 45 -3.946 -7.330 -12.732 331 HA SER 45 HA SER 45 -3.912 -9.905 -14.109 332 1HB SER 45 1HB SER 45 -2.935 -7.218 -14.957 333 2HB SER 45 2HB SER 45 -2.069 -8.646 -15.522 334 HG SER 45 HG SER 45 -4.850 -8.653 -15.749 335 H LYS 46 H LYS 46 -2.600 -8.181 -11.572 336 HA LYS 46 HA LYS 46 -0.532 -10.126 -11.186 337 1HB LYS 46 1HB LYS 46 0.180 -7.833 -12.564 338 2HB LYS 46 2HB LYS 46 0.643 -7.478 -10.907 339 1HG LYS 46 1HG LYS 46 1.505 -10.109 -11.505 340 2HG LYS 46 2HG LYS 46 2.007 -9.046 -12.823 341 1HD LYS 46 1HD LYS 46 3.508 -7.978 -11.541 342 2HD LYS 46 2HD LYS 46 2.410 -7.902 -10.162 343 1HE LYS 46 1HE LYS 46 3.327 -10.606 -10.701 344 2HE LYS 46 2HE LYS 46 4.662 -9.496 -10.389 345 1HZ LYS 46 1HZ LYS 46 3.116 -8.781 -8.419 346 2HZ LYS 46 2HZ LYS 46 4.138 -10.121 -8.278 347 3HZ LYS 46 3HZ LYS 46 2.495 -10.343 -8.612 348 H THR 47 H THR 47 0.416 -9.999 -9.043 349 HA THR 47 HA THR 47 -0.911 -8.186 -7.202 350 HB THR 47 HB THR 47 -0.847 -11.186 -6.893 351 HG1 THR 47 HG1 THR 47 -2.952 -9.306 -7.128 352 1HG2 THR 47 1HG2 THR 47 -0.419 -9.929 -4.741 353 2HG2 THR 47 2HG2 THR 47 -1.819 -11.003 -4.761 354 3HG2 THR 47 3HG2 THR 47 -2.043 -9.262 -4.925 355 HA PRO 48 HA PRO 48 3.412 -8.177 -5.908 356 1HB PRO 48 1HB PRO 48 3.345 -5.944 -4.442 357 2HB PRO 48 2HB PRO 48 3.260 -5.866 -6.208 358 1HG PRO 48 1HG PRO 48 1.029 -5.780 -4.205 359 2HG PRO 48 2HG PRO 48 1.328 -4.689 -5.574 360 1HD PRO 48 1HD PRO 48 -0.428 -6.737 -5.737 361 2HD PRO 48 2HD PRO 48 0.537 -6.214 -7.128 362 H ASP 49 H ASP 49 4.506 -8.248 -3.754 363 HA ASP 49 HA ASP 49 2.987 -9.854 -1.929 364 1HB ASP 49 1HB ASP 49 5.788 -8.719 -1.811 365 2HB ASP 49 2HB ASP 49 5.103 -9.709 -0.525 366 H VAL 50 H VAL 50 4.752 -6.788 -1.469 367 HA VAL 50 HA VAL 50 2.916 -6.107 0.703 368 HB VAL 50 HB VAL 50 5.251 -5.841 1.265 369 1HG1 VAL 50 1HG1 VAL 50 6.224 -3.729 -0.217 370 2HG1 VAL 50 2HG1 VAL 50 5.410 -4.742 -1.407 371 3HG1 VAL 50 3HG1 VAL 50 6.673 -5.425 -0.387 372 1HG2 VAL 50 1HG2 VAL 50 3.781 -3.243 0.882 373 2HG2 VAL 50 2HG2 VAL 50 5.298 -3.365 1.763 374 3HG2 VAL 50 3HG2 VAL 50 3.879 -4.237 2.334 375 H LEU 51 H LEU 51 1.910 -3.950 0.705 376 HA LEU 51 HA LEU 51 1.861 -2.551 -1.831 377 1HB LEU 51 1HB LEU 51 0.225 -4.345 -2.157 378 2HB LEU 51 2HB LEU 51 -0.633 -3.830 -0.718 379 HG LEU 51 HG LEU 51 -1.195 -1.699 -1.802 380 1HD1 LEU 51 1HD1 LEU 51 0.940 -2.203 -3.433 381 2HD1 LEU 51 2HD1 LEU 51 -0.283 -0.960 -3.698 382 3HD1 LEU 51 3HD1 LEU 51 -0.432 -2.535 -4.490 383 1HD2 LEU 51 1HD2 LEU 51 -1.965 -4.328 -2.948 384 2HD2 LEU 51 2HD2 LEU 51 -2.467 -2.886 -3.828 385 3HD2 LEU 51 3HD2 LEU 51 -2.957 -3.110 -2.149 386 H LEU 52 H LEU 52 1.517 -0.470 -1.618 387 HA LEU 52 HA LEU 52 0.531 0.560 0.962 388 1HB LEU 52 1HB LEU 52 2.638 1.590 -0.912 389 2HB LEU 52 2HB LEU 52 1.948 2.578 0.353 390 HG LEU 52 HG LEU 52 3.045 0.017 1.275 391 1HD1 LEU 52 1HD1 LEU 52 5.238 0.303 0.748 392 2HD1 LEU 52 2HD1 LEU 52 5.108 2.061 0.689 393 3HD1 LEU 52 3HD1 LEU 52 4.539 1.088 -0.668 394 1HD2 LEU 52 1HD2 LEU 52 3.457 1.214 3.165 395 2HD2 LEU 52 2HD2 LEU 52 2.212 2.258 2.470 396 3HD2 LEU 52 3HD2 LEU 52 3.920 2.663 2.272 397 H SER 53 H SER 53 -1.455 1.505 0.684 398 HA SER 53 HA SER 53 -2.025 2.701 -1.940 399 1HB SER 53 1HB SER 53 -3.474 0.805 -0.845 400 2HB SER 53 2HB SER 53 -4.186 2.152 0.039 401 HG SER 53 HG SER 53 -4.978 1.410 -2.227 402 H ASP 54 H ASP 54 -2.941 4.711 -2.156 403 HA ASP 54 HA ASP 54 -2.224 6.630 -0.167 404 1HB ASP 54 1HB ASP 54 -2.457 6.779 -2.842 405 2HB ASP 54 2HB ASP 54 -4.030 7.415 -2.385 406 H ILE 55 H ILE 55 -4.032 8.471 0.098 407 HA ILE 55 HA ILE 55 -6.653 7.433 0.593 408 HB ILE 55 HB ILE 55 -5.737 6.624 2.578 409 1HG1 ILE 55 1HG1 ILE 55 -6.658 9.309 3.559 410 2HG1 ILE 55 2HG1 ILE 55 -7.786 8.218 2.763 411 1HG2 ILE 55 1HG2 ILE 55 -3.592 7.804 2.390 412 2HG2 ILE 55 2HG2 ILE 55 -4.240 7.801 4.030 413 3HG2 ILE 55 3HG2 ILE 55 -4.364 9.253 3.035 414 1HD1 ILE 55 1HD1 ILE 55 -7.289 6.508 4.452 415 2HD1 ILE 55 2HD1 ILE 55 -7.933 7.989 5.161 416 3HD1 ILE 55 3HD1 ILE 55 -6.211 7.645 5.256 417 H ARG 56 H ARG 56 -7.234 9.062 -0.847 418 HA ARG 56 HA ARG 56 -8.308 11.353 0.095 419 1HB ARG 56 1HB ARG 56 -5.440 11.648 -0.047 420 2HB ARG 56 2HB ARG 56 -6.209 12.774 -1.152 421 1HG ARG 56 1HG ARG 56 -7.132 12.529 1.682 422 2HG ARG 56 2HG ARG 56 -5.745 13.532 1.251 423 1HD ARG 56 1HD ARG 56 -7.029 14.993 -0.002 424 2HD ARG 56 2HD ARG 56 -8.324 13.821 -0.233 425 HE ARG 56 HE ARG 56 -8.729 14.151 2.245 426 1HH1 ARG 56 1HH1 ARG 56 -7.440 16.679 0.196 427 2HH1 ARG 56 2HH1 ARG 56 -8.032 17.956 1.202 428 1HH2 ARG 56 1HH2 ARG 56 -9.503 15.835 3.554 429 2HH2 ARG 56 2HH2 ARG 56 -9.201 17.480 3.104 430 H MET 57 H MET 57 -9.288 9.799 -1.749 431 HA MET 57 HA MET 57 -9.513 11.487 -4.043 432 1HB MET 57 1HB MET 57 -7.415 10.270 -4.559 433 2HB MET 57 2HB MET 57 -8.305 8.759 -4.514 434 1HG MET 57 1HG MET 57 -8.249 9.205 -6.760 435 2HG MET 57 2HG MET 57 -9.810 9.883 -6.298 436 1HE MET 57 1HE MET 57 -9.628 13.499 -7.080 437 2HE MET 57 2HE MET 57 -9.943 12.643 -5.571 438 3HE MET 57 3HE MET 57 -10.565 12.005 -7.092 439 HA PRO 58 HA PRO 58 -12.423 7.575 -4.769 440 1HB PRO 58 1HB PRO 58 -12.522 5.980 -2.488 441 2HB PRO 58 2HB PRO 58 -11.644 5.595 -3.971 442 1HG PRO 58 1HG PRO 58 -10.636 6.843 -1.441 443 2HG PRO 58 2HG PRO 58 -9.882 5.600 -2.456 444 1HD PRO 58 1HD PRO 58 -9.039 8.102 -2.605 445 2HD PRO 58 2HD PRO 58 -9.250 7.149 -4.089 446 H GLY 59 H GLY 59 -14.308 6.606 -3.059 447 1HA GLY 59 1HA GLY 59 -15.625 9.039 -2.196 448 2HA GLY 59 2HA GLY 59 -16.325 7.428 -2.233 449 H MET 60 H MET 60 -13.364 7.314 -0.708 450 HA MET 60 HA MET 60 -14.260 8.109 1.920 451 1HB MET 60 1HB MET 60 -14.577 5.415 1.089 452 2HB MET 60 2HB MET 60 -13.221 5.445 2.205 453 1HG MET 60 1HG MET 60 -14.614 5.525 3.909 454 2HG MET 60 2HG MET 60 -15.266 7.049 3.313 455 1HE MET 60 1HE MET 60 -15.193 3.428 3.342 456 2HE MET 60 2HE MET 60 -16.466 2.878 2.252 457 3HE MET 60 3HE MET 60 -16.829 3.177 3.952 458 H ASP 61 H ASP 61 -12.439 9.291 0.534 459 HA ASP 61 HA ASP 61 -10.313 9.959 0.297 460 1HB ASP 61 1HB ASP 61 -8.955 9.757 2.492 461 2HB ASP 61 2HB ASP 61 -10.405 10.750 2.460 462 H GLY 62 H GLY 62 -9.744 7.043 2.303 463 1HA GLY 62 1HA GLY 62 -8.221 5.946 0.047 464 2HA GLY 62 2HA GLY 62 -7.404 6.150 1.586 465 H LEU 63 H LEU 63 -9.638 5.416 3.216 466 HA LEU 63 HA LEU 63 -9.203 2.681 3.376 467 1HB LEU 63 1HB LEU 63 -11.696 3.967 4.424 468 2HB LEU 63 2HB LEU 63 -10.818 2.594 5.072 469 HG LEU 63 HG LEU 63 -8.902 4.463 5.272 470 1HD1 LEU 63 1HD1 LEU 63 -10.525 6.175 4.362 471 2HD1 LEU 63 2HD1 LEU 63 -9.699 6.583 5.864 472 3HD1 LEU 63 3HD1 LEU 63 -11.373 6.034 5.899 473 1HD2 LEU 63 1HD2 LEU 63 -11.035 4.252 7.360 474 2HD2 LEU 63 2HD2 LEU 63 -9.298 4.467 7.575 475 3HD2 LEU 63 3HD2 LEU 63 -9.934 2.928 6.993 476 H ALA 64 H ALA 64 -11.204 4.460 1.267 477 HA ALA 64 HA ALA 64 -13.187 2.541 0.683 478 1HB ALA 64 1HB ALA 64 -12.910 5.057 -0.058 479 2HB ALA 64 2HB ALA 64 -13.774 3.906 -1.079 480 3HB ALA 64 3HB ALA 64 -12.100 4.328 -1.445 481 H LEU 65 H LEU 65 -10.002 3.236 -0.672 482 HA LEU 65 HA LEU 65 -9.955 1.355 -2.719 483 1HB LEU 65 1HB LEU 65 -7.589 2.203 -1.050 484 2HB LEU 65 2HB LEU 65 -7.557 1.587 -2.693 485 HG LEU 65 HG LEU 65 -9.021 4.118 -2.039 486 1HD1 LEU 65 1HD1 LEU 65 -6.170 3.709 -1.887 487 2HD1 LEU 65 2HD1 LEU 65 -7.129 5.136 -1.493 488 3HD1 LEU 65 3HD1 LEU 65 -6.590 4.867 -3.149 489 1HD2 LEU 65 1HD2 LEU 65 -8.246 4.547 -4.455 490 2HD2 LEU 65 2HD2 LEU 65 -9.558 3.402 -4.179 491 3HD2 LEU 65 3HD2 LEU 65 -7.927 2.814 -4.498 492 H LEU 66 H LEU 66 -9.384 0.990 0.727 493 HA LEU 66 HA LEU 66 -8.224 -1.574 0.683 494 1HB LEU 66 1HB LEU 66 -9.927 -0.175 2.740 495 2HB LEU 66 2HB LEU 66 -9.275 -1.779 3.001 496 HG LEU 66 HG LEU 66 -7.912 -0.083 4.099 497 1HD1 LEU 66 1HD1 LEU 66 -6.355 -1.627 3.723 498 2HD1 LEU 66 2HD1 LEU 66 -5.801 -0.591 2.412 499 3HD1 LEU 66 3HD1 LEU 66 -6.914 -1.916 2.077 500 1HD2 LEU 66 1HD2 LEU 66 -7.150 0.992 1.408 501 2HD2 LEU 66 2HD2 LEU 66 -6.862 1.685 3.004 502 3HD2 LEU 66 3HD2 LEU 66 -8.488 1.671 2.327 503 H LYS 67 H LYS 67 -11.573 -0.470 0.797 504 HA LYS 67 HA LYS 67 -12.868 -2.922 1.036 505 1HB LYS 67 1HB LYS 67 -13.828 -0.504 1.026 506 2HB LYS 67 2HB LYS 67 -13.958 -0.742 -0.714 507 1HG LYS 67 1HG LYS 67 -15.137 -2.997 0.132 508 2HG LYS 67 2HG LYS 67 -15.519 -1.935 1.488 509 1HD LYS 67 1HD LYS 67 -16.031 -1.189 -1.386 510 2HD LYS 67 2HD LYS 67 -17.225 -2.001 -0.371 511 1HE LYS 67 1HE LYS 67 -17.234 -0.160 1.178 512 2HE LYS 67 2HE LYS 67 -15.914 0.625 0.314 513 1HZ LYS 67 1HZ LYS 67 -18.224 0.028 -1.314 514 2HZ LYS 67 2HZ LYS 67 -17.305 1.444 -1.217 515 3HZ LYS 67 3HZ LYS 67 -18.518 1.145 -0.077 516 H GLN 68 H GLN 68 -11.675 -1.222 -1.819 517 HA GLN 68 HA GLN 68 -12.705 -3.077 -3.700 518 1HB GLN 68 1HB GLN 68 -10.364 -1.199 -4.052 519 2HB GLN 68 2HB GLN 68 -11.314 -1.950 -5.327 520 1HG GLN 68 1HG GLN 68 -12.484 -0.054 -3.313 521 2HG GLN 68 2HG GLN 68 -11.811 0.467 -4.860 522 1HE2 GLN 68 1HE2 GLN 68 -14.581 -0.387 -3.296 523 2HE2 GLN 68 2HE2 GLN 68 -15.562 -0.804 -4.655 524 H ILE 69 H ILE 69 -9.700 -2.815 -1.910 525 HA ILE 69 HA ILE 69 -8.251 -4.749 -3.364 526 HB ILE 69 HB ILE 69 -7.880 -3.875 -0.501 527 1HG1 ILE 69 1HG1 ILE 69 -6.136 -3.002 -2.764 528 2HG1 ILE 69 2HG1 ILE 69 -7.699 -2.220 -2.554 529 1HG2 ILE 69 1HG2 ILE 69 -5.444 -4.681 -1.679 530 2HG2 ILE 69 2HG2 ILE 69 -6.618 -5.963 -1.976 531 3HG2 ILE 69 3HG2 ILE 69 -6.298 -5.421 -0.332 532 1HD1 ILE 69 1HD1 ILE 69 -6.854 -0.929 -0.973 533 2HD1 ILE 69 2HD1 ILE 69 -5.277 -1.680 -1.226 534 3HD1 ILE 69 3HD1 ILE 69 -6.390 -2.346 -0.032 535 H LYS 70 H LYS 70 -10.357 -4.968 -0.569 536 HA LYS 70 HA LYS 70 -9.809 -7.711 -0.058 537 1HB LYS 70 1HB LYS 70 -11.623 -7.635 1.523 538 2HB LYS 70 2HB LYS 70 -10.681 -6.158 1.670 539 1HG LYS 70 1HG LYS 70 -12.643 -5.111 1.585 540 2HG LYS 70 2HG LYS 70 -12.584 -5.447 -0.144 541 1HD LYS 70 1HD LYS 70 -14.345 -6.796 -0.009 542 2HD LYS 70 2HD LYS 70 -13.591 -7.732 1.283 543 1HE LYS 70 1HE LYS 70 -14.496 -6.350 2.954 544 2HE LYS 70 2HE LYS 70 -14.905 -5.082 1.800 545 1HZ LYS 70 1HZ LYS 70 -16.443 -7.325 2.625 546 2HZ LYS 70 2HZ LYS 70 -16.262 -7.314 0.944 547 3HZ LYS 70 3HZ LYS 70 -16.921 -5.970 1.731 548 H GLN 71 H GLN 71 -11.905 -6.034 -2.216 549 HA GLN 71 HA GLN 71 -13.671 -8.239 -2.644 550 1HB GLN 71 1HB GLN 71 -13.333 -5.522 -3.798 551 2HB GLN 71 2HB GLN 71 -14.187 -6.718 -4.764 552 1HG GLN 71 1HG GLN 71 -15.907 -6.927 -3.208 553 2HG GLN 71 2HG GLN 71 -14.948 -6.202 -1.916 554 1HE2 GLN 71 1HE2 GLN 71 -14.135 -3.919 -2.612 555 2HE2 GLN 71 2HE2 GLN 71 -15.376 -2.866 -3.197 556 H ARG 72 H ARG 72 -10.805 -6.956 -4.136 557 HA ARG 72 HA ARG 72 -10.921 -8.897 -6.309 558 1HB ARG 72 1HB ARG 72 -9.060 -6.603 -5.727 559 2HB ARG 72 2HB ARG 72 -8.801 -7.730 -7.050 560 1HG ARG 72 1HG ARG 72 -10.486 -6.872 -8.298 561 2HG ARG 72 2HG ARG 72 -11.449 -6.416 -6.891 562 1HD ARG 72 1HD ARG 72 -10.199 -4.468 -6.529 563 2HD ARG 72 2HD ARG 72 -8.873 -5.025 -7.548 564 HE ARG 72 HE ARG 72 -9.978 -4.211 -9.379 565 1HH1 ARG 72 1HH1 ARG 72 -12.199 -4.358 -6.692 566 2HH1 ARG 72 2HH1 ARG 72 -13.460 -3.514 -7.525 567 1HH2 ARG 72 1HH2 ARG 72 -11.635 -3.096 -10.478 568 2HH2 ARG 72 2HH2 ARG 72 -13.141 -2.798 -9.675 569 H HIS 73 H HIS 73 -8.295 -7.788 -4.259 570 HA HIS 73 HA HIS 73 -7.382 -10.574 -3.994 571 1HB HIS 73 1HB HIS 73 -5.076 -9.635 -3.760 572 2HB HIS 73 2HB HIS 73 -5.802 -9.333 -5.340 573 HD1 HIS 73 HD1 HIS 73 -3.708 -7.723 -3.186 574 HD2 HIS 73 HD2 HIS 73 -7.225 -6.506 -4.981 575 HE1 HIS 73 HE1 HIS 73 -3.669 -5.219 -3.093 576 HE2 HIS 73 HE2 HIS 73 -5.874 -4.511 -4.073 577 HA PRO 74 HA PRO 74 -8.277 -8.957 0.255 578 1HB PRO 74 1HB PRO 74 -9.706 -11.075 1.126 579 2HB PRO 74 2HB PRO 74 -10.432 -9.756 0.203 580 1HG PRO 74 1HG PRO 74 -9.562 -12.463 -0.724 581 2HG PRO 74 2HG PRO 74 -11.019 -11.548 -1.152 582 1HD PRO 74 1HD PRO 74 -8.802 -11.689 -2.744 583 2HD PRO 74 2HD PRO 74 -9.926 -10.315 -2.745 584 H MET 75 H MET 75 -5.790 -9.793 -0.287 585 HA MET 75 HA MET 75 -5.169 -11.447 1.993 586 1HB MET 75 1HB MET 75 -4.158 -12.299 -0.718 587 2HB MET 75 2HB MET 75 -3.866 -13.099 0.819 588 1HG MET 75 1HG MET 75 -6.144 -13.785 0.978 589 2HG MET 75 2HG MET 75 -6.591 -12.804 -0.415 590 1HE MET 75 1HE MET 75 -3.964 -16.474 -0.305 591 2HE MET 75 2HE MET 75 -5.608 -16.774 0.257 592 3HE MET 75 3HE MET 75 -4.626 -15.530 1.031 593 H LEU 76 H LEU 76 -3.995 -9.741 -0.828 594 HA LEU 76 HA LEU 76 -1.321 -9.406 -0.115 595 1HB LEU 76 1HB LEU 76 -2.710 -8.809 -2.252 596 2HB LEU 76 2HB LEU 76 -2.806 -7.232 -1.496 597 HG LEU 76 HG LEU 76 -0.224 -8.650 -2.117 598 1HD1 LEU 76 1HD1 LEU 76 -0.393 -7.956 -4.219 599 2HD1 LEU 76 2HD1 LEU 76 -0.749 -6.311 -3.693 600 3HD1 LEU 76 3HD1 LEU 76 -2.056 -7.480 -3.890 601 1HD2 LEU 76 1HD2 LEU 76 0.012 -7.062 -0.332 602 2HD2 LEU 76 2HD2 LEU 76 -0.880 -5.842 -1.239 603 3HD2 LEU 76 3HD2 LEU 76 0.708 -6.368 -1.797 604 HA PRO 77 HA PRO 77 -1.702 -6.808 3.519 605 1HB PRO 77 1HB PRO 77 0.962 -6.090 3.579 606 2HB PRO 77 2HB PRO 77 0.306 -7.573 4.281 607 1HG PRO 77 1HG PRO 77 1.653 -7.159 1.645 608 2HG PRO 77 2HG PRO 77 1.835 -8.492 2.799 609 1HD PRO 77 1HD PRO 77 0.350 -8.760 0.588 610 2HD PRO 77 2HD PRO 77 -0.137 -9.510 2.119 611 H VAL 78 H VAL 78 -2.592 -4.878 3.344 612 HA VAL 78 HA VAL 78 -1.582 -2.949 1.388 613 HB VAL 78 HB VAL 78 -4.041 -2.529 3.059 614 1HG1 VAL 78 1HG1 VAL 78 -4.685 -1.389 0.827 615 2HG1 VAL 78 2HG1 VAL 78 -2.957 -1.468 0.485 616 3HG1 VAL 78 3HG1 VAL 78 -3.536 -0.598 1.904 617 1HG2 VAL 78 1HG2 VAL 78 -5.318 -3.984 1.922 618 2HG2 VAL 78 2HG2 VAL 78 -3.800 -4.775 1.504 619 3HG2 VAL 78 3HG2 VAL 78 -4.529 -3.623 0.388 620 H ILE 79 H ILE 79 -1.035 -0.843 1.966 621 HA ILE 79 HA ILE 79 -0.858 -0.210 4.821 622 HB ILE 79 HB ILE 79 1.482 0.285 2.997 623 1HG1 ILE 79 1HG1 ILE 79 1.795 -1.807 5.042 624 2HG1 ILE 79 2HG1 ILE 79 0.734 -2.246 3.712 625 1HG2 ILE 79 1HG2 ILE 79 2.234 1.478 4.703 626 2HG2 ILE 79 2HG2 ILE 79 2.196 0.040 5.722 627 3HG2 ILE 79 3HG2 ILE 79 0.784 1.093 5.632 628 1HD1 ILE 79 1HD1 ILE 79 3.441 -2.502 3.723 629 2HD1 ILE 79 2HD1 ILE 79 3.212 -0.983 2.852 630 3HD1 ILE 79 3HD1 ILE 79 2.425 -2.456 2.282 631 H ILE 80 H ILE 80 -1.946 1.639 5.016 632 HA ILE 80 HA ILE 80 -2.031 3.474 2.759 633 HB ILE 80 HB ILE 80 -3.533 3.715 5.356 634 1HG1 ILE 80 1HG1 ILE 80 -4.065 1.562 4.369 635 2HG1 ILE 80 2HG1 ILE 80 -5.420 2.655 4.133 636 1HG2 ILE 80 1HG2 ILE 80 -3.455 5.232 2.860 637 2HG2 ILE 80 2HG2 ILE 80 -4.038 5.699 4.455 638 3HG2 ILE 80 3HG2 ILE 80 -5.081 4.784 3.373 639 1HD1 ILE 80 1HD1 ILE 80 -3.996 1.185 2.199 640 2HD1 ILE 80 2HD1 ILE 80 -3.712 2.897 1.896 641 3HD1 ILE 80 3HD1 ILE 80 -5.359 2.276 1.967 642 H MET 81 H MET 81 -1.551 5.659 2.862 643 HA MET 81 HA MET 81 0.658 6.274 4.637 644 1HB MET 81 1HB MET 81 0.331 8.560 3.195 645 2HB MET 81 2HB MET 81 1.341 7.205 2.723 646 1HG MET 81 1HG MET 81 -1.482 7.035 1.909 647 2HG MET 81 2HG MET 81 -0.542 8.322 1.168 648 1HE MET 81 1HE MET 81 1.391 4.209 1.173 649 2HE MET 81 2HE MET 81 -0.317 4.136 1.594 650 3HE MET 81 3HE MET 81 0.787 5.112 2.556 651 H THR 82 H THR 82 -2.694 6.885 4.725 652 HA THR 82 HA THR 82 -2.260 8.691 6.969 653 HB THR 82 HB THR 82 -4.272 9.505 4.888 654 HG1 THR 82 HG1 THR 82 -2.618 9.938 3.659 655 1HG2 THR 82 1HG2 THR 82 -4.471 10.555 7.078 656 2HG2 THR 82 2HG2 THR 82 -4.005 11.712 5.832 657 3HG2 THR 82 3HG2 THR 82 -2.798 11.099 6.963 658 H ALA 83 H ALA 83 -4.243 8.999 8.277 659 HA ALA 83 HA ALA 83 -6.462 7.224 7.751 660 1HB ALA 83 1HB ALA 83 -4.357 6.156 9.174 661 2HB ALA 83 2HB ALA 83 -6.020 5.554 9.148 662 3HB ALA 83 3HB ALA 83 -5.496 6.653 10.427 663 H HIS 84 H HIS 84 -7.076 9.654 7.739 664 HA HIS 84 HA HIS 84 -7.366 10.855 10.336 665 1HB HIS 84 1HB HIS 84 -8.951 12.423 8.832 666 2HB HIS 84 2HB HIS 84 -7.205 12.600 8.892 667 HD1 HIS 84 HD1 HIS 84 -5.941 12.293 6.738 668 HD2 HIS 84 HD2 HIS 84 -9.920 11.134 6.429 669 HE1 HIS 84 HE1 HIS 84 -6.343 11.894 4.288 670 HE2 HIS 84 HE2 HIS 84 -8.781 11.290 4.119 671 H SER 85 H SER 85 -10.101 10.891 8.153 672 HA SER 85 HA SER 85 -11.754 9.769 10.282 673 1HB SER 85 1HB SER 85 -12.094 11.880 8.380 674 2HB SER 85 2HB SER 85 -13.347 10.669 8.105 675 HG SER 85 HG SER 85 -14.156 11.031 10.061 676 H ASP 86 H ASP 86 -13.869 8.744 9.129 677 HA ASP 86 HA ASP 86 -14.729 6.869 8.184 678 1HB ASP 86 1HB ASP 86 -12.607 7.463 6.115 679 2HB ASP 86 2HB ASP 86 -13.886 6.270 5.910 680 H LEU 87 H LEU 87 -12.115 6.793 9.893 681 HA LEU 87 HA LEU 87 -10.438 4.746 9.284 682 1HB LEU 87 1HB LEU 87 -11.077 6.197 11.566 683 2HB LEU 87 2HB LEU 87 -11.308 4.525 12.042 684 HG LEU 87 HG LEU 87 -9.054 5.273 12.574 685 1HD1 LEU 87 1HD1 LEU 87 -9.544 3.124 10.601 686 2HD1 LEU 87 2HD1 LEU 87 -8.888 3.038 12.235 687 3HD1 LEU 87 3HD1 LEU 87 -7.866 3.572 10.901 688 1HD2 LEU 87 1HD2 LEU 87 -8.790 6.994 10.891 689 2HD2 LEU 87 2HD2 LEU 87 -8.805 5.781 9.612 690 3HD2 LEU 87 3HD2 LEU 87 -7.475 5.826 10.768 691 H ASP 88 H ASP 88 -13.795 4.473 10.071 692 HA ASP 88 HA ASP 88 -14.074 1.934 11.034 693 1HB ASP 88 1HB ASP 88 -15.949 3.501 10.685 694 2HB ASP 88 2HB ASP 88 -15.853 3.212 8.949 695 H ALA 89 H ALA 89 -13.631 2.838 7.617 696 HA ALA 89 HA ALA 89 -13.929 0.189 6.653 697 1HB ALA 89 1HB ALA 89 -14.308 1.761 5.010 698 2HB ALA 89 2HB ALA 89 -12.689 1.186 4.610 699 3HB ALA 89 3HB ALA 89 -12.897 2.721 5.458 700 H ALA 90 H ALA 90 -11.314 1.859 8.132 701 HA ALA 90 HA ALA 90 -9.146 0.449 7.011 702 1HB ALA 90 1HB ALA 90 -9.043 1.261 9.877 703 2HB ALA 90 2HB ALA 90 -9.197 2.517 8.654 704 3HB ALA 90 3HB ALA 90 -7.816 1.417 8.617 705 H VAL 91 H VAL 91 -11.242 -0.200 9.778 706 HA VAL 91 HA VAL 91 -9.895 -2.410 10.785 707 HB VAL 91 HB VAL 91 -12.888 -2.141 10.830 708 1HG1 VAL 91 1HG1 VAL 91 -12.638 -4.058 11.958 709 2HG1 VAL 91 2HG1 VAL 91 -11.994 -3.062 13.263 710 3HG1 VAL 91 3HG1 VAL 91 -10.895 -3.836 12.119 711 1HG2 VAL 91 1HG2 VAL 91 -12.426 -0.087 11.696 712 2HG2 VAL 91 2HG2 VAL 91 -10.787 -0.535 12.169 713 3HG2 VAL 91 3HG2 VAL 91 -12.158 -1.040 13.156 714 H SER 92 H SER 92 -12.302 -2.200 8.211 715 HA SER 92 HA SER 92 -12.707 -4.956 7.847 716 1HB SER 92 1HB SER 92 -13.776 -4.395 5.823 717 2HB SER 92 2HB SER 92 -14.001 -2.961 6.822 718 HG SER 92 HG SER 92 -12.561 -3.286 4.507 719 H ALA 93 H ALA 93 -10.304 -2.724 6.612 720 HA ALA 93 HA ALA 93 -9.120 -4.281 4.665 721 1HB ALA 93 1HB ALA 93 -8.634 -1.899 5.088 722 2HB ALA 93 2HB ALA 93 -7.183 -2.885 4.898 723 3HB ALA 93 3HB ALA 93 -7.699 -2.380 6.506 724 H TYR 94 H TYR 94 -8.476 -4.222 8.128 725 HA TYR 94 HA TYR 94 -6.297 -5.985 8.130 726 1HB TYR 94 1HB TYR 94 -8.382 -5.774 10.309 727 2HB TYR 94 2HB TYR 94 -6.727 -6.349 10.481 728 HD1 TYR 94 HD1 TYR 94 -8.774 -3.713 11.193 729 HD2 TYR 94 HD2 TYR 94 -4.966 -4.492 9.472 730 HE1 TYR 94 HE1 TYR 94 -8.065 -1.423 11.745 731 HE2 TYR 94 HE2 TYR 94 -4.246 -2.208 10.023 732 HH TYR 94 HH TYR 94 -5.133 -0.065 10.530 733 H GLN 95 H GLN 95 -9.644 -6.527 7.643 734 HA GLN 95 HA GLN 95 -9.681 -9.290 8.348 735 1HB GLN 95 1HB GLN 95 -11.896 -9.163 7.968 736 2HB GLN 95 2HB GLN 95 -11.614 -7.435 7.863 737 1HG GLN 95 1HG GLN 95 -11.157 -8.235 5.291 738 2HG GLN 95 2HG GLN 95 -12.426 -9.341 5.804 739 1HE2 GLN 95 1HE2 GLN 95 -12.056 -6.730 4.112 740 2HE2 GLN 95 2HE2 GLN 95 -13.465 -5.822 4.532 741 H GLN 96 H GLN 96 -9.293 -7.520 5.313 742 HA GLN 96 HA GLN 96 -9.103 -9.885 3.729 743 1HB GLN 96 1HB GLN 96 -8.453 -8.367 1.916 744 2HB GLN 96 2HB GLN 96 -9.901 -7.810 2.746 745 1HG GLN 96 1HG GLN 96 -8.945 -5.884 3.275 746 2HG GLN 96 2HG GLN 96 -7.535 -6.701 3.944 747 1HE2 GLN 96 1HE2 GLN 96 -5.699 -6.864 2.769 748 2HE2 GLN 96 2HE2 GLN 96 -5.473 -6.106 1.234 749 H GLY 97 H GLY 97 -6.914 -8.148 5.703 750 1HA GLY 97 1HA GLY 97 -4.862 -9.448 6.203 751 2HA GLY 97 2HA GLY 97 -4.664 -9.612 4.467 752 H ALA 98 H ALA 98 -5.796 -6.535 5.498 753 HA ALA 98 HA ALA 98 -3.643 -5.134 4.421 754 1HB ALA 98 1HB ALA 98 -5.875 -4.422 6.242 755 2HB ALA 98 2HB ALA 98 -5.466 -3.777 4.653 756 3HB ALA 98 3HB ALA 98 -4.544 -3.282 6.074 757 H PHE 99 H PHE 99 -1.844 -4.054 5.383 758 HA PHE 99 HA PHE 99 -0.767 -5.470 7.632 759 1HB PHE 99 1HB PHE 99 0.697 -4.818 5.764 760 2HB PHE 99 2HB PHE 99 0.400 -3.120 6.130 761 HD1 PHE 99 HD1 PHE 99 1.508 -6.222 7.886 762 HD2 PHE 99 HD2 PHE 99 1.990 -2.024 7.380 763 HE1 PHE 99 HE1 PHE 99 3.368 -6.246 9.496 764 HE2 PHE 99 HE2 PHE 99 3.854 -2.042 8.987 765 HZ PHE 99 HZ PHE 99 4.544 -4.154 10.048 766 H ASP 100 H ASP 100 -1.509 -2.030 6.995 767 HA ASP 100 HA ASP 100 -2.745 -1.509 9.409 768 1HB ASP 100 1HB ASP 100 -0.102 -2.013 9.953 769 2HB ASP 100 2HB ASP 100 -0.115 -0.259 9.807 770 H TYR 101 H TYR 101 -1.669 1.058 10.015 771 HA TYR 101 HA TYR 101 -2.069 2.526 7.504 772 1HB TYR 101 1HB TYR 101 -3.722 2.585 9.947 773 2HB TYR 101 2HB TYR 101 -3.275 4.172 9.325 774 HD1 TYR 101 HD1 TYR 101 -4.898 0.954 8.350 775 HD2 TYR 101 HD2 TYR 101 -4.378 5.089 7.493 776 HE1 TYR 101 HE1 TYR 101 -6.664 0.822 6.645 777 HE2 TYR 101 HE2 TYR 101 -6.153 4.969 5.795 778 HH TYR 101 HH TYR 101 -7.174 3.135 4.327 779 H LEU 102 H LEU 102 -0.549 3.990 7.156 780 HA LEU 102 HA LEU 102 1.248 4.732 9.358 781 1HB LEU 102 1HB LEU 102 2.330 3.706 7.465 782 2HB LEU 102 2HB LEU 102 1.560 4.813 6.358 783 HG LEU 102 HG LEU 102 2.899 6.607 7.800 784 1HD1 LEU 102 1HD1 LEU 102 3.978 4.094 8.682 785 2HD1 LEU 102 2HD1 LEU 102 4.348 5.725 9.233 786 3HD1 LEU 102 3HD1 LEU 102 5.217 5.040 7.861 787 1HD2 LEU 102 1HD2 LEU 102 3.050 5.651 5.281 788 2HD2 LEU 102 2HD2 LEU 102 4.641 5.187 5.885 789 3HD2 LEU 102 3HD2 LEU 102 4.139 6.876 5.931 790 HA PRO 103 HA PRO 103 -0.348 8.881 9.480 791 1HB PRO 103 1HB PRO 103 2.021 10.182 10.085 792 2HB PRO 103 2HB PRO 103 0.978 9.400 11.272 793 1HG PRO 103 1HG PRO 103 3.446 8.349 9.941 794 2HG PRO 103 2HG PRO 103 2.947 8.219 11.639 795 1HD PRO 103 1HD PRO 103 2.646 6.160 9.969 796 2HD PRO 103 2HD PRO 103 1.401 6.534 11.180 797 H LYS 104 H LYS 104 -0.009 10.983 8.335 798 HA LYS 104 HA LYS 104 0.150 10.746 5.656 799 1HB LYS 104 1HB LYS 104 -0.249 12.849 7.300 800 2HB LYS 104 2HB LYS 104 1.293 13.294 6.576 801 1HG LYS 104 1HG LYS 104 -1.283 12.684 5.141 802 2HG LYS 104 2HG LYS 104 -0.470 14.245 5.266 803 1HD LYS 104 1HD LYS 104 0.357 13.685 3.240 804 2HD LYS 104 2HD LYS 104 1.508 12.746 4.190 805 1HE LYS 104 1HE LYS 104 0.412 10.736 3.762 806 2HE LYS 104 2HE LYS 104 -1.100 11.540 3.343 807 1HZ LYS 104 1HZ LYS 104 -0.262 12.171 1.266 808 2HZ LYS 104 2HZ LYS 104 0.239 10.563 1.447 809 3HZ LYS 104 3HZ LYS 104 1.339 11.828 1.691 810 HA PRO 105 HA PRO 105 4.977 11.995 5.788 811 1HB PRO 105 1HB PRO 105 5.488 9.997 7.961 812 2HB PRO 105 2HB PRO 105 6.376 11.475 7.564 813 1HG PRO 105 1HG PRO 105 4.702 11.437 9.625 814 2HG PRO 105 2HG PRO 105 4.789 12.853 8.561 815 1HD PRO 105 1HD PRO 105 2.704 10.741 8.731 816 2HD PRO 105 2HD PRO 105 2.532 12.459 8.337 817 H PHE 106 H PHE 106 6.622 10.528 4.826 818 HA PHE 106 HA PHE 106 5.944 7.770 4.469 819 1HB PHE 106 1HB PHE 106 4.496 9.415 2.893 820 2HB PHE 106 2HB PHE 106 5.893 9.180 1.860 821 HD1 PHE 106 HD1 PHE 106 3.493 7.201 3.919 822 HD2 PHE 106 HD2 PHE 106 5.903 7.409 0.413 823 HE1 PHE 106 HE1 PHE 106 2.575 5.052 3.162 824 HE2 PHE 106 HE2 PHE 106 4.983 5.260 -0.350 825 HZ PHE 106 HZ PHE 106 3.316 4.078 1.024 826 H ASP 107 H ASP 107 7.429 9.640 1.872 827 HA ASP 107 HA ASP 107 9.476 9.348 0.898 828 1HB ASP 107 1HB ASP 107 11.249 10.288 2.166 829 2HB ASP 107 2HB ASP 107 9.782 11.079 2.732 830 H ILE 108 H ILE 108 11.840 8.302 1.467 831 HA ILE 108 HA ILE 108 11.335 5.526 1.464 832 HB ILE 108 HB ILE 108 13.715 7.232 1.246 833 1HG1 ILE 108 1HG1 ILE 108 14.026 6.105 -0.794 834 2HG1 ILE 108 2HG1 ILE 108 13.034 4.744 -0.279 835 1HG2 ILE 108 1HG2 ILE 108 14.357 5.503 2.969 836 2HG2 ILE 108 2HG2 ILE 108 15.346 5.543 1.514 837 3HG2 ILE 108 3HG2 ILE 108 14.123 4.294 1.708 838 1HD1 ILE 108 1HD1 ILE 108 12.041 6.382 -1.954 839 2HD1 ILE 108 2HD1 ILE 108 11.881 7.489 -0.598 840 3HD1 ILE 108 3HD1 ILE 108 11.051 5.932 -0.570 841 H ASP 109 H ASP 109 12.739 7.666 3.826 842 HA ASP 109 HA ASP 109 13.503 5.817 5.728 843 1HB ASP 109 1HB ASP 109 13.704 8.447 5.634 844 2HB ASP 109 2HB ASP 109 12.262 8.376 6.642 845 H GLU 110 H GLU 110 10.368 7.569 5.682 846 HA GLU 110 HA GLU 110 9.321 5.906 7.732 847 1HB GLU 110 1HB GLU 110 7.789 7.835 6.000 848 2HB GLU 110 2HB GLU 110 7.327 7.228 7.582 849 1HG GLU 110 1HG GLU 110 9.895 8.684 7.377 850 2HG GLU 110 2HG GLU 110 8.409 9.619 7.208 851 H ALA 111 H ALA 111 9.154 5.840 4.237 852 HA ALA 111 HA ALA 111 6.923 4.007 4.275 853 1HB ALA 111 1HB ALA 111 8.622 4.926 1.969 854 2HB ALA 111 2HB ALA 111 7.058 5.587 2.455 855 3HB ALA 111 3HB ALA 111 7.169 3.936 1.842 856 H VAL 112 H VAL 112 10.345 3.800 3.240 857 HA VAL 112 HA VAL 112 10.337 1.052 2.759 858 HB VAL 112 HB VAL 112 12.674 2.638 3.813 859 1HG1 VAL 112 1HG1 VAL 112 13.911 0.804 3.533 860 2HG1 VAL 112 2HG1 VAL 112 13.234 0.507 1.932 861 3HG1 VAL 112 3HG1 VAL 112 12.397 -0.089 3.367 862 1HG2 VAL 112 1HG2 VAL 112 11.333 2.590 1.195 863 2HG2 VAL 112 2HG2 VAL 112 13.089 2.428 1.147 864 3HG2 VAL 112 3HG2 VAL 112 12.352 3.826 1.928 865 H ALA 113 H ALA 113 10.604 2.889 5.677 866 HA ALA 113 HA ALA 113 11.524 0.930 7.455 867 1HB ALA 113 1HB ALA 113 10.476 3.561 7.582 868 2HB ALA 113 2HB ALA 113 11.340 2.673 8.838 869 3HB ALA 113 3HB ALA 113 9.581 2.575 8.729 870 H LEU 114 H LEU 114 8.252 1.958 6.630 871 HA LEU 114 HA LEU 114 7.008 -0.126 8.109 872 1HB LEU 114 1HB LEU 114 6.069 2.168 7.645 873 2HB LEU 114 2HB LEU 114 5.732 1.607 6.017 874 HG LEU 114 HG LEU 114 4.258 -0.147 6.937 875 1HD1 LEU 114 1HD1 LEU 114 5.280 -0.471 9.108 876 2HD1 LEU 114 2HD1 LEU 114 3.583 -0.023 9.302 877 3HD1 LEU 114 3HD1 LEU 114 4.851 1.172 9.583 878 1HD2 LEU 114 1HD2 LEU 114 2.443 1.241 7.269 879 2HD2 LEU 114 2HD2 LEU 114 3.565 2.282 6.391 880 3HD2 LEU 114 3HD2 LEU 114 3.395 2.438 8.139 881 H VAL 115 H VAL 115 8.214 0.071 4.874 882 HA VAL 115 HA VAL 115 6.435 -1.948 3.867 883 HB VAL 115 HB VAL 115 7.557 -0.178 2.415 884 1HG1 VAL 115 1HG1 VAL 115 9.725 -0.581 1.548 885 2HG1 VAL 115 2HG1 VAL 115 9.830 -2.148 2.351 886 3HG1 VAL 115 3HG1 VAL 115 9.861 -0.668 3.301 887 1HG2 VAL 115 1HG2 VAL 115 7.218 -3.061 1.822 888 2HG2 VAL 115 2HG2 VAL 115 8.009 -2.065 0.602 889 3HG2 VAL 115 3HG2 VAL 115 6.383 -1.660 1.151 890 H GLU 116 H GLU 116 9.871 -1.888 4.763 891 HA GLU 116 HA GLU 116 10.336 -4.615 4.222 892 1HB GLU 116 1HB GLU 116 11.760 -2.594 5.940 893 2HB GLU 116 2HB GLU 116 12.320 -4.255 5.797 894 1HG GLU 116 1HG GLU 116 12.817 -4.016 3.526 895 2HG GLU 116 2HG GLU 116 11.853 -2.546 3.381 896 H ARG 117 H ARG 117 9.505 -2.905 7.222 897 HA ARG 117 HA ARG 117 9.586 -5.166 8.893 898 1HB ARG 117 1HB ARG 117 8.030 -2.592 9.159 899 2HB ARG 117 2HB ARG 117 8.174 -3.796 10.432 900 1HG ARG 117 1HG ARG 117 10.705 -3.486 10.171 901 2HG ARG 117 2HG ARG 117 10.292 -2.015 9.292 902 1HD ARG 117 1HD ARG 117 10.678 -1.430 11.576 903 2HD ARG 117 2HD ARG 117 8.949 -1.297 11.263 904 HE ARG 117 HE ARG 117 10.274 -3.378 12.847 905 1HH1 ARG 117 1HH1 ARG 117 7.330 -1.861 11.725 906 2HH1 ARG 117 2HH1 ARG 117 6.322 -2.723 12.835 907 1HH2 ARG 117 1HH2 ARG 117 8.942 -4.513 14.295 908 2HH2 ARG 117 2HH2 ARG 117 7.233 -4.228 14.290 909 H ALA 118 H ALA 118 7.262 -4.056 6.616 910 HA ALA 118 HA ALA 118 5.031 -5.481 7.666 911 1HB ALA 118 1HB ALA 118 5.597 -3.933 5.202 912 2HB ALA 118 2HB ALA 118 4.279 -3.773 6.363 913 3HB ALA 118 3HB ALA 118 4.252 -5.073 5.171 914 H ILE 119 H ILE 119 7.209 -6.019 4.899 915 HA ILE 119 HA ILE 119 6.105 -8.505 4.164 916 HB ILE 119 HB ILE 119 8.935 -7.595 3.675 917 1HG1 ILE 119 1HG1 ILE 119 6.868 -7.199 1.593 918 2HG1 ILE 119 2HG1 ILE 119 6.774 -6.122 2.983 919 1HG2 ILE 119 1HG2 ILE 119 8.665 -9.885 3.101 920 2HG2 ILE 119 2HG2 ILE 119 8.644 -8.964 1.596 921 3HG2 ILE 119 3HG2 ILE 119 7.135 -9.565 2.286 922 1HD1 ILE 119 1HD1 ILE 119 9.274 -6.536 1.375 923 2HD1 ILE 119 2HD1 ILE 119 8.958 -5.294 2.590 924 3HD1 ILE 119 3HD1 ILE 119 8.096 -5.262 1.051 925 H SER 120 H SER 120 8.528 -7.563 6.455 926 HA SER 120 HA SER 120 9.642 -10.135 6.892 927 1HB SER 120 1HB SER 120 10.757 -7.952 7.453 928 2HB SER 120 2HB SER 120 9.636 -7.795 8.805 929 HG SER 120 HG SER 120 10.606 -9.424 9.828 930 H HIS 121 H HIS 121 7.156 -8.231 8.544 931 HA HIS 121 HA HIS 121 6.687 -10.232 10.540 932 1HB HIS 121 1HB HIS 121 5.374 -7.644 9.790 933 2HB HIS 121 2HB HIS 121 4.571 -8.747 10.904 934 HD1 HIS 121 HD1 HIS 121 7.966 -7.053 10.588 935 HD2 HIS 121 HD2 HIS 121 5.270 -8.329 13.481 936 HE1 HIS 121 HE1 HIS 121 8.938 -6.313 12.786 937 HE2 HIS 121 HE2 HIS 121 7.332 -7.171 14.528 938 H TYR 122 H TYR 122 5.432 -9.510 7.401 939 HA TYR 122 HA TYR 122 3.075 -11.109 7.690 940 1HB TYR 122 1HB TYR 122 3.423 -9.105 6.101 941 2HB TYR 122 2HB TYR 122 4.245 -10.260 5.057 942 HD1 TYR 122 HD1 TYR 122 2.892 -10.795 3.270 943 HD2 TYR 122 HD2 TYR 122 1.141 -10.473 7.134 944 HE1 TYR 122 HE1 TYR 122 0.731 -11.514 2.344 945 HE2 TYR 122 HE2 TYR 122 -1.025 -11.191 6.219 946 HH TYR 122 HH TYR 122 -1.347 -12.333 2.927 947 H GLN 123 H GLN 123 6.032 -11.424 5.724 948 HA GLN 123 HA GLN 123 7.109 -13.239 4.876 949 1HB GLN 123 1HB GLN 123 6.905 -13.737 7.467 950 2HB GLN 123 2HB GLN 123 5.849 -15.028 6.908 951 1HG GLN 123 1HG GLN 123 7.548 -16.188 5.932 952 2HG GLN 123 2HG GLN 123 8.503 -14.740 5.614 953 1HE2 GLN 123 1HE2 GLN 123 9.336 -13.634 7.610 954 2HE2 GLN 123 2HE2 GLN 123 9.945 -14.648 8.869 955 H GLU 124 H GLU 124 6.755 -15.548 4.028 956 HA GLU 124 HA GLU 124 4.042 -16.320 3.486 957 1HB GLU 124 1HB GLU 124 4.462 -14.448 1.863 958 2HB GLU 124 2HB GLU 124 5.729 -15.431 1.144 959 1HG GLU 124 1HG GLU 124 4.241 -16.448 -0.130 960 2HG GLU 124 2HG GLU 124 3.374 -17.006 1.300 Start of MODEL 6 1 1H MET 1 1H MET 1 7.559 -19.031 -3.114 2 2H MET 1 2H MET 1 8.225 -19.337 -4.667 3 3H MET 1 3H MET 1 7.075 -18.082 -4.456 4 HA MET 1 HA MET 1 8.901 -17.370 -2.688 5 1HB MET 1 1HB MET 1 10.249 -18.833 -4.955 6 2HB MET 1 2HB MET 1 11.069 -17.575 -4.041 7 1HG MET 1 1HG MET 1 9.793 -19.842 -2.593 8 2HG MET 1 2HG MET 1 11.341 -20.081 -3.398 9 1HE MET 1 1HE MET 1 13.490 -19.523 -0.529 10 2HE MET 1 2HE MET 1 13.741 -19.163 -2.238 11 3HE MET 1 3HE MET 1 12.830 -20.597 -1.763 12 H GLN 2 H GLN 2 7.729 -15.498 -3.180 13 HA GLN 2 HA GLN 2 7.723 -14.379 -5.818 14 1HB GLN 2 1HB GLN 2 6.726 -13.554 -3.136 15 2HB GLN 2 2HB GLN 2 6.993 -12.284 -4.323 16 1HG GLN 2 1HG GLN 2 4.894 -12.724 -4.933 17 2HG GLN 2 2HG GLN 2 5.608 -14.082 -5.799 18 1HE2 GLN 2 1HE2 GLN 2 4.591 -15.914 -5.494 19 2HE2 GLN 2 2HE2 GLN 2 3.752 -16.396 -4.063 20 H ARG 3 H ARG 3 8.872 -12.603 -6.580 21 HA ARG 3 HA ARG 3 11.516 -12.345 -5.558 22 1HB ARG 3 1HB ARG 3 11.820 -10.722 -7.401 23 2HB ARG 3 2HB ARG 3 11.153 -12.257 -7.940 24 1HG ARG 3 1HG ARG 3 8.894 -10.815 -7.450 25 2HG ARG 3 2HG ARG 3 10.006 -9.569 -8.020 26 1HD ARG 3 1HD ARG 3 10.454 -11.619 -9.786 27 2HD ARG 3 2HD ARG 3 8.723 -11.754 -9.476 28 HE ARG 3 HE ARG 3 9.614 -9.079 -10.066 29 1HH1 ARG 3 1HH1 ARG 3 8.463 -12.088 -11.410 30 2HH1 ARG 3 2HH1 ARG 3 7.884 -11.359 -12.870 31 1HH2 ARG 3 1HH2 ARG 3 8.855 -8.118 -11.984 32 2HH2 ARG 3 2HH2 ARG 3 8.107 -9.103 -13.197 33 H GLY 4 H GLY 4 8.884 -11.150 -4.192 34 1HA GLY 4 1HA GLY 4 8.580 -9.470 -2.659 35 2HA GLY 4 2HA GLY 4 10.271 -9.041 -2.879 36 H ILE 5 H ILE 5 7.010 -8.525 -4.000 37 HA ILE 5 HA ILE 5 7.968 -6.265 -5.619 38 HB ILE 5 HB ILE 5 5.246 -7.531 -5.818 39 1HG1 ILE 5 1HG1 ILE 5 6.392 -8.476 -8.006 40 2HG1 ILE 5 2HG1 ILE 5 7.856 -8.321 -7.041 41 1HG2 ILE 5 1HG2 ILE 5 5.057 -5.522 -6.884 42 2HG2 ILE 5 2HG2 ILE 5 5.667 -6.502 -8.217 43 3HG2 ILE 5 3HG2 ILE 5 6.766 -5.461 -7.312 44 1HD1 ILE 5 1HD1 ILE 5 5.594 -9.670 -5.732 45 2HD1 ILE 5 2HD1 ILE 5 7.318 -10.043 -5.707 46 3HD1 ILE 5 3HD1 ILE 5 6.333 -10.516 -7.091 47 H VAL 6 H VAL 6 7.683 -4.328 -4.774 48 HA VAL 6 HA VAL 6 5.570 -3.963 -2.767 49 HB VAL 6 HB VAL 6 7.904 -3.398 -2.058 50 1HG1 VAL 6 1HG1 VAL 6 8.813 -1.230 -2.926 51 2HG1 VAL 6 2HG1 VAL 6 7.639 -1.335 -4.223 52 3HG1 VAL 6 3HG1 VAL 6 8.875 -2.573 -4.060 53 1HG2 VAL 6 1HG2 VAL 6 6.676 -0.757 -1.988 54 2HG2 VAL 6 2HG2 VAL 6 7.046 -1.866 -0.671 55 3HG2 VAL 6 3HG2 VAL 6 5.552 -2.050 -1.581 56 H TRP 7 H TRP 7 3.853 -2.734 -3.250 57 HA TRP 7 HA TRP 7 4.032 -1.059 -5.664 58 1HB TRP 7 1HB TRP 7 1.822 -2.782 -4.596 59 2HB TRP 7 2HB TRP 7 1.452 -1.421 -5.654 60 HD1 TRP 7 HD1 TRP 7 4.685 -3.099 -6.510 61 HE1 TRP 7 HE1 TRP 7 4.409 -4.531 -8.617 62 HE3 TRP 7 HE3 TRP 7 -0.408 -3.016 -6.877 63 HZ2 TRP 7 HZ2 TRP 7 2.313 -5.515 -10.219 64 HZ3 TRP 7 HZ3 TRP 7 -1.471 -4.228 -8.733 65 HH2 TRP 7 HH2 TRP 7 -0.135 -5.456 -10.369 66 H VAL 8 H VAL 8 3.187 1.019 -5.603 67 HA VAL 8 HA VAL 8 2.246 1.978 -2.984 68 HB VAL 8 HB VAL 8 3.979 3.832 -4.466 69 1HG1 VAL 8 1HG1 VAL 8 3.160 4.579 -2.401 70 2HG1 VAL 8 2HG1 VAL 8 4.855 4.186 -2.122 71 3HG1 VAL 8 3HG1 VAL 8 3.596 3.077 -1.592 72 1HG2 VAL 8 1HG2 VAL 8 6.007 2.843 -4.206 73 2HG2 VAL 8 2HG2 VAL 8 5.039 1.404 -4.503 74 3HG2 VAL 8 3HG2 VAL 8 5.477 1.842 -2.855 75 H VAL 9 H VAL 9 0.832 3.671 -2.996 76 HA VAL 9 HA VAL 9 0.189 4.883 -5.589 77 HB VAL 9 HB VAL 9 -2.180 4.599 -3.911 78 1HG1 VAL 9 1HG1 VAL 9 -1.388 4.502 -6.720 79 2HG1 VAL 9 2HG1 VAL 9 -2.816 5.177 -5.978 80 3HG1 VAL 9 3HG1 VAL 9 -2.753 3.452 -6.330 81 1HG2 VAL 9 1HG2 VAL 9 -0.999 2.074 -5.053 82 2HG2 VAL 9 2HG2 VAL 9 -2.566 2.240 -4.262 83 3HG2 VAL 9 3HG2 VAL 9 -1.087 2.466 -3.345 84 H ASP 10 H ASP 10 0.862 6.899 -5.267 85 HA ASP 10 HA ASP 10 -0.482 8.827 -3.894 86 1HB ASP 10 1HB ASP 10 0.241 7.523 -1.818 87 2HB ASP 10 2HB ASP 10 1.876 8.066 -2.168 88 H ASP 11 H ASP 11 0.127 10.601 -4.898 89 HA ASP 11 HA ASP 11 1.345 12.248 -5.852 90 1HB ASP 11 1HB ASP 11 3.051 11.224 -3.884 91 2HB ASP 11 2HB ASP 11 4.036 11.353 -5.337 92 H ASP 12 H ASP 12 2.104 8.928 -6.511 93 HA ASP 12 HA ASP 12 2.586 7.855 -8.439 94 1HB ASP 12 1HB ASP 12 0.969 9.700 -9.311 95 2HB ASP 12 2HB ASP 12 2.426 10.434 -9.974 96 H SER 13 H SER 13 4.020 9.756 -10.599 97 HA SER 13 HA SER 13 6.484 8.819 -10.620 98 1HB SER 13 1HB SER 13 5.405 10.634 -12.101 99 2HB SER 13 2HB SER 13 6.170 11.776 -10.995 100 HG SER 13 HG SER 13 8.040 11.345 -11.866 101 H SER 14 H SER 14 5.558 11.514 -8.556 102 HA SER 14 HA SER 14 8.052 12.155 -7.506 103 1HB SER 14 1HB SER 14 5.246 12.416 -6.498 104 2HB SER 14 2HB SER 14 6.576 12.733 -5.384 105 HG SER 14 HG SER 14 6.004 14.641 -6.419 106 H ILE 15 H ILE 15 5.604 10.224 -5.791 107 HA ILE 15 HA ILE 15 7.437 9.172 -3.929 108 HB ILE 15 HB ILE 15 4.672 8.241 -4.729 109 1HG1 ILE 15 1HG1 ILE 15 4.920 10.505 -3.697 110 2HG1 ILE 15 2HG1 ILE 15 3.935 9.394 -2.753 111 1HG2 ILE 15 1HG2 ILE 15 5.637 7.453 -2.078 112 2HG2 ILE 15 2HG2 ILE 15 6.491 6.667 -3.399 113 3HG2 ILE 15 3HG2 ILE 15 4.742 6.527 -3.278 114 1HD1 ILE 15 1HD1 ILE 15 5.517 10.817 -1.445 115 2HD1 ILE 15 2HD1 ILE 15 6.840 9.922 -2.192 116 3HD1 ILE 15 3HD1 ILE 15 5.673 9.082 -1.169 117 H ARG 16 H ARG 16 6.710 8.321 -7.163 118 HA ARG 16 HA ARG 16 7.456 5.576 -7.071 119 1HB ARG 16 1HB ARG 16 6.092 6.723 -8.876 120 2HB ARG 16 2HB ARG 16 7.604 7.380 -9.481 121 1HG ARG 16 1HG ARG 16 8.455 5.113 -9.828 122 2HG ARG 16 2HG ARG 16 6.929 4.454 -9.232 123 1HD ARG 16 1HD ARG 16 5.756 5.628 -11.066 124 2HD ARG 16 2HD ARG 16 7.317 6.173 -11.679 125 HE ARG 16 HE ARG 16 7.636 3.506 -11.595 126 1HH1 ARG 16 1HH1 ARG 16 5.105 5.511 -12.922 127 2HH1 ARG 16 2HH1 ARG 16 4.684 4.374 -14.157 128 1HH2 ARG 16 1HH2 ARG 16 7.083 2.017 -13.225 129 2HH2 ARG 16 2HH2 ARG 16 5.803 2.393 -14.329 130 H TRP 17 H TRP 17 9.200 8.347 -8.483 131 HA TRP 17 HA TRP 17 11.576 7.091 -9.036 132 1HB TRP 17 1HB TRP 17 11.055 9.398 -9.709 133 2HB TRP 17 2HB TRP 17 11.235 9.921 -8.037 134 HD1 TRP 17 HD1 TRP 17 13.372 8.400 -10.877 135 HE1 TRP 17 HE1 TRP 17 15.806 9.172 -10.541 136 HE3 TRP 17 HE3 TRP 17 12.820 10.878 -6.445 137 HZ2 TRP 17 HZ2 TRP 17 17.294 10.639 -8.641 138 HZ3 TRP 17 HZ3 TRP 17 14.802 11.936 -5.430 139 HH2 TRP 17 HH2 TRP 17 16.992 11.817 -6.509 140 H VAL 18 H VAL 18 10.606 8.582 -5.974 141 HA VAL 18 HA VAL 18 13.071 8.189 -4.690 142 HB VAL 18 HB VAL 18 10.605 8.165 -3.036 143 1HG1 VAL 18 1HG1 VAL 18 13.117 8.299 -2.326 144 2HG1 VAL 18 2HG1 VAL 18 11.898 9.265 -1.492 145 3HG1 VAL 18 3HG1 VAL 18 12.924 10.008 -2.718 146 1HG2 VAL 18 1HG2 VAL 18 11.016 10.852 -3.447 147 2HG2 VAL 18 2HG2 VAL 18 9.696 9.898 -4.120 148 3HG2 VAL 18 3HG2 VAL 18 11.151 10.185 -5.073 149 H LEU 19 H LEU 19 10.058 6.419 -4.185 150 HA LEU 19 HA LEU 19 11.329 4.397 -2.679 151 1HB LEU 19 1HB LEU 19 8.816 5.184 -2.767 152 2HB LEU 19 2HB LEU 19 8.692 3.895 -3.947 153 HG LEU 19 HG LEU 19 9.493 2.279 -2.294 154 1HD1 LEU 19 1HD1 LEU 19 10.629 4.356 -1.012 155 2HD1 LEU 19 2HD1 LEU 19 10.292 2.804 -0.252 156 3HD1 LEU 19 3HD1 LEU 19 9.174 4.151 -0.043 157 1HD2 LEU 19 1HD2 LEU 19 7.170 3.977 -1.401 158 2HD2 LEU 19 2HD2 LEU 19 7.525 2.358 -0.800 159 3HD2 LEU 19 3HD2 LEU 19 7.122 2.600 -2.496 160 H GLU 20 H GLU 20 10.916 4.744 -6.086 161 HA GLU 20 HA GLU 20 10.946 1.983 -6.715 162 1HB GLU 20 1HB GLU 20 11.359 2.582 -8.969 163 2HB GLU 20 2HB GLU 20 10.249 3.761 -8.310 164 1HG GLU 20 1HG GLU 20 12.070 5.350 -8.086 165 2HG GLU 20 2HG GLU 20 13.194 4.158 -8.731 166 H ARG 21 H ARG 21 13.539 4.385 -6.884 167 HA ARG 21 HA ARG 21 15.563 2.504 -7.412 168 1HB ARG 21 1HB ARG 21 15.653 5.323 -6.359 169 2HB ARG 21 2HB ARG 21 17.107 4.387 -6.682 170 1HG ARG 21 1HG ARG 21 15.212 4.398 -8.900 171 2HG ARG 21 2HG ARG 21 15.822 5.998 -8.476 172 1HD ARG 21 1HD ARG 21 17.521 3.572 -9.051 173 2HD ARG 21 2HD ARG 21 17.208 4.889 -10.181 174 HE ARG 21 HE ARG 21 18.229 6.120 -7.971 175 1HH1 ARG 21 1HH1 ARG 21 19.318 3.563 -10.081 176 2HH1 ARG 21 2HH1 ARG 21 20.996 3.924 -9.858 177 1HH2 ARG 21 1HH2 ARG 21 20.438 6.593 -7.674 178 2HH2 ARG 21 2HH2 ARG 21 21.632 5.642 -8.492 179 H ALA 22 H ALA 22 14.963 4.293 -4.369 180 HA ALA 22 HA ALA 22 16.827 3.020 -2.807 181 1HB ALA 22 1HB ALA 22 15.174 4.985 -2.297 182 2HB ALA 22 2HB ALA 22 15.854 4.012 -0.993 183 3HB ALA 22 3HB ALA 22 14.216 3.698 -1.566 184 H LEU 23 H LEU 23 13.532 1.958 -3.453 185 HA LEU 23 HA LEU 23 13.675 -0.281 -1.705 186 1HB LEU 23 1HB LEU 23 11.583 0.878 -2.635 187 2HB LEU 23 2HB LEU 23 11.839 -0.087 -4.073 188 HG LEU 23 HG LEU 23 10.190 -0.882 -2.203 189 1HD1 LEU 23 1HD1 LEU 23 10.911 -2.072 -4.298 190 2HD1 LEU 23 2HD1 LEU 23 10.408 -3.098 -2.954 191 3HD1 LEU 23 3HD1 LEU 23 12.126 -2.887 -3.311 192 1HD2 LEU 23 1HD2 LEU 23 12.763 -2.051 -1.167 193 2HD2 LEU 23 2HD2 LEU 23 11.137 -2.314 -0.539 194 3HD2 LEU 23 3HD2 LEU 23 11.889 -0.725 -0.399 195 H ALA 24 H ALA 24 14.650 0.312 -4.959 196 HA ALA 24 HA ALA 24 14.829 -2.386 -5.814 197 1HB ALA 24 1HB ALA 24 16.693 -0.364 -6.928 198 2HB ALA 24 2HB ALA 24 14.964 -0.089 -7.143 199 3HB ALA 24 3HB ALA 24 15.705 -1.568 -7.755 200 H GLY 25 H GLY 25 16.937 -0.188 -4.074 201 1HA GLY 25 1HA GLY 25 19.311 -1.715 -4.223 202 2HA GLY 25 2HA GLY 25 18.924 -0.533 -2.977 203 H ALA 26 H ALA 26 16.422 -2.026 -2.328 204 HA ALA 26 HA ALA 26 17.542 -3.737 -0.333 205 1HB ALA 26 1HB ALA 26 15.675 -2.605 0.433 206 2HB ALA 26 2HB ALA 26 15.009 -4.193 0.050 207 3HB ALA 26 3HB ALA 26 14.790 -2.850 -1.072 208 H GLY 27 H GLY 27 16.492 -4.153 -3.548 209 1HA GLY 27 1HA GLY 27 16.951 -6.164 -4.718 210 2HA GLY 27 2HA GLY 27 16.737 -7.053 -3.221 211 H LEU 28 H LEU 28 14.391 -4.626 -4.174 212 HA LEU 28 HA LEU 28 12.659 -6.729 -5.175 213 1HB LEU 28 1HB LEU 28 11.260 -4.804 -3.485 214 2HB LEU 28 2HB LEU 28 11.069 -6.534 -3.610 215 HG LEU 28 HG LEU 28 13.390 -6.476 -2.288 216 1HD1 LEU 28 1HD1 LEU 28 13.676 -4.148 -2.076 217 2HD1 LEU 28 2HD1 LEU 28 13.112 -4.703 -0.501 218 3HD1 LEU 28 3HD1 LEU 28 11.995 -3.911 -1.608 219 1HD2 LEU 28 1HD2 LEU 28 12.149 -7.543 -0.790 220 2HD2 LEU 28 2HD2 LEU 28 10.731 -7.089 -1.733 221 3HD2 LEU 28 3HD2 LEU 28 11.258 -6.075 -0.389 222 H THR 29 H THR 29 10.480 -5.657 -5.941 223 HA THR 29 HA THR 29 11.268 -3.401 -7.661 224 HB THR 29 HB THR 29 9.330 -5.670 -7.996 225 HG1 THR 29 HG1 THR 29 11.680 -5.449 -8.780 226 1HG2 THR 29 1HG2 THR 29 8.882 -4.444 -10.278 227 2HG2 THR 29 2HG2 THR 29 9.156 -3.007 -9.293 228 3HG2 THR 29 3HG2 THR 29 7.881 -4.145 -8.857 229 H CYS 30 H CYS 30 10.198 -1.508 -7.615 230 HA CYS 30 HA CYS 30 7.794 -1.336 -5.919 231 1HB CYS 30 1HB CYS 30 9.921 -0.374 -4.918 232 2HB CYS 30 2HB CYS 30 9.851 0.838 -6.186 233 HG CYS 30 HG CYS 30 8.177 2.076 -4.903 234 H THR 31 H THR 31 6.115 -0.970 -7.191 235 HA THR 31 HA THR 31 6.432 0.914 -9.435 236 HB THR 31 HB THR 31 5.665 -1.549 -9.850 237 HG1 THR 31 HG1 THR 31 4.440 -0.835 -11.545 238 1HG2 THR 31 1HG2 THR 31 2.903 -0.711 -9.528 239 2HG2 THR 31 2HG2 THR 31 3.742 -0.998 -8.008 240 3HG2 THR 31 3HG2 THR 31 3.665 -2.265 -9.228 241 H THR 32 H THR 32 4.624 2.445 -9.743 242 HA THR 32 HA THR 32 3.076 2.821 -7.283 243 HB THR 32 HB THR 32 3.470 5.235 -7.413 244 HG1 THR 32 HG1 THR 32 4.977 4.450 -9.656 245 1HG2 THR 32 1HG2 THR 32 5.884 5.214 -6.845 246 2HG2 THR 32 2HG2 THR 32 5.927 3.512 -7.295 247 3HG2 THR 32 3HG2 THR 32 4.926 4.044 -5.947 248 H PHE 33 H PHE 33 1.248 4.194 -7.419 249 HA PHE 33 HA PHE 33 0.101 4.507 -10.086 250 1HB PHE 33 1HB PHE 33 -1.433 3.312 -7.788 251 2HB PHE 33 2HB PHE 33 -1.950 3.473 -9.451 252 HD1 PHE 33 HD1 PHE 33 -1.672 1.704 -10.915 253 HD2 PHE 33 HD2 PHE 33 0.660 1.866 -7.359 254 HE1 PHE 33 HE1 PHE 33 -0.799 -0.544 -11.392 255 HE2 PHE 33 HE2 PHE 33 1.556 -0.371 -7.841 256 HZ PHE 33 HZ PHE 33 0.821 -1.589 -9.856 257 H GLU 34 H GLU 34 -2.084 5.753 -9.859 258 HA GLU 34 HA GLU 34 -1.472 8.314 -8.959 259 1HB GLU 34 1HB GLU 34 -3.839 8.836 -9.490 260 2HB GLU 34 2HB GLU 34 -2.997 7.969 -10.765 261 1HG GLU 34 1HG GLU 34 -4.768 6.629 -10.798 262 2HG GLU 34 2HG GLU 34 -4.112 5.932 -9.322 263 H ASN 35 H ASN 35 -4.095 6.249 -7.554 264 HA ASN 35 HA ASN 35 -3.452 7.320 -4.966 265 1HB ASN 35 1HB ASN 35 -6.083 7.858 -6.321 266 2HB ASN 35 2HB ASN 35 -5.870 7.975 -4.576 267 1HD2 ASN 35 1HD2 ASN 35 -3.949 9.351 -3.924 268 2HD2 ASN 35 2HD2 ASN 35 -3.761 10.848 -4.768 269 H GLY 36 H GLY 36 -5.886 5.475 -6.729 270 1HA GLY 36 1HA GLY 36 -5.404 3.215 -4.999 271 2HA GLY 36 2HA GLY 36 -6.970 3.968 -4.783 272 H ASN 37 H ASN 37 -8.087 4.377 -7.065 273 HA ASN 37 HA ASN 37 -8.836 1.899 -8.011 274 1HB ASN 37 1HB ASN 37 -9.109 4.642 -9.176 275 2HB ASN 37 2HB ASN 37 -9.657 3.230 -10.077 276 1HD2 ASN 37 1HD2 ASN 37 -10.793 1.625 -8.319 277 2HD2 ASN 37 2HD2 ASN 37 -12.094 2.389 -7.479 278 H GLU 38 H GLU 38 -6.126 3.829 -8.967 279 HA GLU 38 HA GLU 38 -5.630 2.600 -11.450 280 1HB GLU 38 1HB GLU 38 -4.570 4.690 -10.575 281 2HB GLU 38 2HB GLU 38 -3.550 3.687 -9.561 282 1HG GLU 38 1HG GLU 38 -2.109 3.636 -11.246 283 2HG GLU 38 2HG GLU 38 -3.268 2.630 -12.110 284 H VAL 39 H VAL 39 -4.121 1.887 -8.233 285 HA VAL 39 HA VAL 39 -2.711 -0.379 -9.099 286 HB VAL 39 HB VAL 39 -3.966 -0.308 -6.378 287 1HG1 VAL 39 1HG1 VAL 39 -1.397 -1.051 -6.050 288 2HG1 VAL 39 2HG1 VAL 39 -1.677 -1.624 -7.693 289 3HG1 VAL 39 3HG1 VAL 39 -2.708 -2.183 -6.376 290 1HG2 VAL 39 1HG2 VAL 39 -1.431 0.938 -6.304 291 2HG2 VAL 39 2HG2 VAL 39 -3.003 1.602 -5.862 292 3HG2 VAL 39 3HG2 VAL 39 -2.409 1.773 -7.504 293 H LEU 40 H LEU 40 -6.040 -0.088 -7.940 294 HA LEU 40 HA LEU 40 -6.729 -2.730 -7.642 295 1HB LEU 40 1HB LEU 40 -8.549 -0.714 -8.941 296 2HB LEU 40 2HB LEU 40 -9.002 -2.085 -7.948 297 HG LEU 40 HG LEU 40 -7.658 0.446 -7.022 298 1HD1 LEU 40 1HD1 LEU 40 -10.414 -0.452 -7.157 299 2HD1 LEU 40 2HD1 LEU 40 -9.756 1.153 -6.853 300 3HD1 LEU 40 3HD1 LEU 40 -9.926 0.013 -5.531 301 1HD2 LEU 40 1HD2 LEU 40 -8.570 -1.335 -4.938 302 2HD2 LEU 40 2HD2 LEU 40 -7.009 -0.542 -5.140 303 3HD2 LEU 40 3HD2 LEU 40 -7.322 -2.084 -5.932 304 H ALA 41 H ALA 41 -6.631 -0.840 -10.626 305 HA ALA 41 HA ALA 41 -7.674 -2.811 -12.334 306 1HB ALA 41 1HB ALA 41 -5.677 -0.708 -13.117 307 2HB ALA 41 2HB ALA 41 -7.388 -0.363 -12.848 308 3HB ALA 41 3HB ALA 41 -6.902 -1.472 -14.131 309 H ALA 42 H ALA 42 -4.378 -1.943 -11.510 310 HA ALA 42 HA ALA 42 -3.128 -3.907 -13.117 311 1HB ALA 42 1HB ALA 42 -1.509 -3.144 -10.867 312 2HB ALA 42 2HB ALA 42 -2.308 -1.737 -11.565 313 3HB ALA 42 3HB ALA 42 -1.298 -2.769 -12.578 314 H LEU 43 H LEU 43 -4.064 -3.825 -9.700 315 HA LEU 43 HA LEU 43 -2.817 -6.182 -8.890 316 1HB LEU 43 1HB LEU 43 -5.197 -4.667 -7.906 317 2HB LEU 43 2HB LEU 43 -4.838 -6.246 -7.232 318 HG LEU 43 HG LEU 43 -2.794 -4.041 -7.267 319 1HD1 LEU 43 1HD1 LEU 43 -3.451 -3.410 -5.073 320 2HD1 LEU 43 2HD1 LEU 43 -4.631 -4.715 -4.979 321 3HD1 LEU 43 3HD1 LEU 43 -4.901 -3.359 -6.072 322 1HD2 LEU 43 1HD2 LEU 43 -2.072 -5.458 -5.240 323 2HD2 LEU 43 2HD2 LEU 43 -1.757 -6.081 -6.861 324 3HD2 LEU 43 3HD2 LEU 43 -3.122 -6.698 -5.930 325 H ALA 44 H ALA 44 -5.678 -5.670 -10.747 326 HA ALA 44 HA ALA 44 -7.045 -8.060 -10.363 327 1HB ALA 44 1HB ALA 44 -7.880 -7.656 -12.732 328 2HB ALA 44 2HB ALA 44 -6.849 -6.227 -12.730 329 3HB ALA 44 3HB ALA 44 -8.156 -6.372 -11.555 330 H SER 45 H SER 45 -4.058 -7.501 -11.960 331 HA SER 45 HA SER 45 -4.094 -10.246 -12.957 332 1HB SER 45 1HB SER 45 -3.568 -7.796 -14.381 333 2HB SER 45 2HB SER 45 -2.162 -8.858 -14.447 334 HG SER 45 HG SER 45 -4.716 -9.207 -15.498 335 H LYS 46 H LYS 46 -2.822 -8.363 -10.621 336 HA LYS 46 HA LYS 46 -0.622 -10.155 -10.214 337 1HB LYS 46 1HB LYS 46 -0.029 -7.926 -11.651 338 2HB LYS 46 2HB LYS 46 0.265 -7.362 -10.013 339 1HG LYS 46 1HG LYS 46 1.441 -9.937 -10.319 340 2HG LYS 46 2HG LYS 46 1.953 -8.906 -11.657 341 1HD LYS 46 1HD LYS 46 3.337 -7.788 -10.321 342 2HD LYS 46 2HD LYS 46 2.020 -7.417 -9.209 343 1HE LYS 46 1HE LYS 46 2.399 -9.908 -8.455 344 2HE LYS 46 2HE LYS 46 4.003 -9.636 -9.136 345 1HZ LYS 46 1HZ LYS 46 4.194 -7.675 -7.694 346 2HZ LYS 46 2HZ LYS 46 4.006 -9.097 -6.804 347 3HZ LYS 46 3HZ LYS 46 2.701 -8.038 -6.999 348 H THR 47 H THR 47 0.405 -9.867 -8.116 349 HA THR 47 HA THR 47 -1.095 -8.260 -6.215 350 HB THR 47 HB THR 47 -0.549 -11.212 -5.885 351 HG1 THR 47 HG1 THR 47 -2.882 -9.721 -6.392 352 1HG2 THR 47 1HG2 THR 47 -1.738 -11.108 -3.806 353 2HG2 THR 47 2HG2 THR 47 -2.006 -9.375 -4.003 354 3HG2 THR 47 3HG2 THR 47 -0.372 -9.994 -3.753 355 HA PRO 48 HA PRO 48 3.249 -7.689 -5.110 356 1HB PRO 48 1HB PRO 48 2.949 -5.466 -3.626 357 2HB PRO 48 2HB PRO 48 2.852 -5.422 -5.391 358 1HG PRO 48 1HG PRO 48 0.642 -5.445 -3.376 359 2HG PRO 48 2HG PRO 48 0.798 -4.477 -4.851 360 1HD PRO 48 1HD PRO 48 -0.714 -6.749 -4.688 361 2HD PRO 48 2HD PRO 48 0.024 -6.162 -6.188 362 H ASP 49 H ASP 49 4.476 -7.988 -3.200 363 HA ASP 49 HA ASP 49 3.158 -9.527 -1.182 364 1HB ASP 49 1HB ASP 49 6.007 -8.525 -1.386 365 2HB ASP 49 2HB ASP 49 5.426 -9.622 -0.136 366 H VAL 50 H VAL 50 4.099 -6.216 -1.519 367 HA VAL 50 HA VAL 50 2.864 -5.598 1.051 368 HB VAL 50 HB VAL 50 5.210 -5.778 1.629 369 1HG1 VAL 50 1HG1 VAL 50 6.273 -3.591 0.082 370 2HG1 VAL 50 2HG1 VAL 50 5.648 -4.864 -0.967 371 3HG1 VAL 50 3HG1 VAL 50 6.865 -5.242 0.253 372 1HG2 VAL 50 1HG2 VAL 50 3.997 -3.052 1.533 373 2HG2 VAL 50 2HG2 VAL 50 5.636 -3.245 2.146 374 3HG2 VAL 50 3HG2 VAL 50 4.301 -4.096 2.918 375 H LEU 51 H LEU 51 1.172 -4.563 -0.004 376 HA LEU 51 HA LEU 51 1.745 -2.559 -2.015 377 1HB LEU 51 1HB LEU 51 -0.180 -3.958 -2.375 378 2HB LEU 51 2HB LEU 51 -0.851 -3.507 -0.823 379 HG LEU 51 HG LEU 51 -1.050 -1.157 -1.653 380 1HD1 LEU 51 1HD1 LEU 51 -0.472 -0.524 -3.747 381 2HD1 LEU 51 2HD1 LEU 51 -0.806 -2.119 -4.435 382 3HD1 LEU 51 3HD1 LEU 51 0.686 -1.837 -3.542 383 1HD2 LEU 51 1HD2 LEU 51 -2.532 -2.971 -3.505 384 2HD2 LEU 51 2HD2 LEU 51 -3.095 -1.525 -2.669 385 3HD2 LEU 51 3HD2 LEU 51 -2.843 -3.021 -1.773 386 H LEU 52 H LEU 52 1.151 -0.400 -1.919 387 HA LEU 52 HA LEU 52 0.656 0.750 0.743 388 1HB LEU 52 1HB LEU 52 2.811 1.383 -1.235 389 2HB LEU 52 2HB LEU 52 2.189 2.654 -0.204 390 HG LEU 52 HG LEU 52 3.159 0.127 1.041 391 1HD1 LEU 52 1HD1 LEU 52 4.767 1.869 -0.606 392 2HD1 LEU 52 2HD1 LEU 52 5.200 0.359 0.193 393 3HD1 LEU 52 3HD1 LEU 52 5.319 1.884 1.069 394 1HD2 LEU 52 1HD2 LEU 52 3.792 2.777 2.128 395 2HD2 LEU 52 2HD2 LEU 52 3.180 1.340 2.935 396 3HD2 LEU 52 3HD2 LEU 52 2.073 2.391 2.054 397 H SER 53 H SER 53 -1.292 1.782 0.542 398 HA SER 53 HA SER 53 -1.908 3.032 -2.047 399 1HB SER 53 1HB SER 53 -3.540 1.499 -0.115 400 2HB SER 53 2HB SER 53 -4.329 2.845 -0.932 401 HG SER 53 HG SER 53 -2.864 0.861 -2.316 402 H ASP 54 H ASP 54 -2.946 5.003 -2.167 403 HA ASP 54 HA ASP 54 -2.298 6.858 -0.061 404 1HB ASP 54 1HB ASP 54 -2.222 7.336 -2.592 405 2HB ASP 54 2HB ASP 54 -3.972 7.476 -2.490 406 H ILE 55 H ILE 55 -4.108 8.514 0.487 407 HA ILE 55 HA ILE 55 -6.691 7.246 0.755 408 HB ILE 55 HB ILE 55 -5.759 6.499 2.752 409 1HG1 ILE 55 1HG1 ILE 55 -6.815 8.917 4.049 410 2HG1 ILE 55 2HG1 ILE 55 -7.884 8.222 2.835 411 1HG2 ILE 55 1HG2 ILE 55 -4.501 7.940 4.307 412 2HG2 ILE 55 2HG2 ILE 55 -4.578 9.240 3.121 413 3HG2 ILE 55 3HG2 ILE 55 -3.709 7.749 2.745 414 1HD1 ILE 55 1HD1 ILE 55 -7.205 6.004 4.185 415 2HD1 ILE 55 2HD1 ILE 55 -8.599 7.006 4.578 416 3HD1 ILE 55 3HD1 ILE 55 -7.093 7.200 5.475 417 H ARG 56 H ARG 56 -7.042 8.960 -0.850 418 HA ARG 56 HA ARG 56 -8.459 11.105 0.171 419 1HB ARG 56 1HB ARG 56 -6.098 11.848 0.805 420 2HB ARG 56 2HB ARG 56 -5.813 12.066 -0.914 421 1HG ARG 56 1HG ARG 56 -7.108 13.922 -1.038 422 2HG ARG 56 2HG ARG 56 -8.218 13.366 0.216 423 1HD ARG 56 1HD ARG 56 -6.308 13.752 1.853 424 2HD ARG 56 2HD ARG 56 -5.507 14.625 0.550 425 HE ARG 56 HE ARG 56 -7.905 15.445 1.997 426 1HH1 ARG 56 1HH1 ARG 56 -5.632 16.088 -0.583 427 2HH1 ARG 56 2HH1 ARG 56 -6.079 17.755 -0.718 428 1HH2 ARG 56 1HH2 ARG 56 -8.483 17.637 1.809 429 2HH2 ARG 56 2HH2 ARG 56 -7.691 18.631 0.632 430 H MET 57 H MET 57 -9.339 9.563 -1.677 431 HA MET 57 HA MET 57 -9.591 11.231 -3.980 432 1HB MET 57 1HB MET 57 -7.470 10.182 -4.549 433 2HB MET 57 2HB MET 57 -8.164 8.589 -4.320 434 1HG MET 57 1HG MET 57 -9.386 10.447 -6.301 435 2HG MET 57 2HG MET 57 -7.900 9.591 -6.705 436 1HE MET 57 1HE MET 57 -11.972 8.108 -7.379 437 2HE MET 57 2HE MET 57 -10.980 9.357 -8.131 438 3HE MET 57 3HE MET 57 -11.610 9.594 -6.501 439 HA PRO 58 HA PRO 58 -12.375 7.289 -4.698 440 1HB PRO 58 1HB PRO 58 -12.374 5.504 -2.598 441 2HB PRO 58 2HB PRO 58 -11.429 5.310 -4.076 442 1HG PRO 58 1HG PRO 58 -10.583 6.387 -1.414 443 2HG PRO 58 2HG PRO 58 -9.723 5.276 -2.499 444 1HD PRO 58 1HD PRO 58 -9.056 7.857 -2.394 445 2HD PRO 58 2HD PRO 58 -9.078 6.985 -3.941 446 H GLY 59 H GLY 59 -14.308 6.279 -3.304 447 1HA GLY 59 1HA GLY 59 -15.863 8.379 -2.385 448 2HA GLY 59 2HA GLY 59 -16.159 6.688 -2.007 449 H MET 60 H MET 60 -14.800 5.789 -0.186 450 HA MET 60 HA MET 60 -15.107 7.465 2.107 451 1HB MET 60 1HB MET 60 -13.850 4.742 1.740 452 2HB MET 60 2HB MET 60 -13.995 5.540 3.302 453 1HG MET 60 1HG MET 60 -16.546 5.675 2.321 454 2HG MET 60 2HG MET 60 -15.984 4.112 1.733 455 1HE MET 60 1HE MET 60 -17.939 5.632 4.551 456 2HE MET 60 2HE MET 60 -18.228 4.018 5.201 457 3HE MET 60 3HE MET 60 -18.406 4.317 3.471 458 H ASP 61 H ASP 61 -13.570 8.994 0.693 459 HA ASP 61 HA ASP 61 -11.614 10.134 0.543 460 1HB ASP 61 1HB ASP 61 -11.880 9.267 3.304 461 2HB ASP 61 2HB ASP 61 -10.190 9.463 2.848 462 H GLY 62 H GLY 62 -10.368 7.390 2.397 463 1HA GLY 62 1HA GLY 62 -8.807 6.567 0.039 464 2HA GLY 62 2HA GLY 62 -8.009 6.851 1.572 465 H LEU 63 H LEU 63 -9.968 5.755 3.262 466 HA LEU 63 HA LEU 63 -9.147 3.129 3.392 467 1HB LEU 63 1HB LEU 63 -11.854 3.973 4.368 468 2HB LEU 63 2HB LEU 63 -10.776 2.767 5.049 469 HG LEU 63 HG LEU 63 -9.220 4.931 5.314 470 1HD1 LEU 63 1HD1 LEU 63 -11.784 6.186 6.085 471 2HD1 LEU 63 2HD1 LEU 63 -11.376 6.190 4.370 472 3HD1 LEU 63 3HD1 LEU 63 -10.277 6.919 5.539 473 1HD2 LEU 63 1HD2 LEU 63 -11.354 4.449 7.344 474 2HD2 LEU 63 2HD2 LEU 63 -9.638 4.791 7.578 475 3HD2 LEU 63 3HD2 LEU 63 -10.153 3.219 6.981 476 H ALA 64 H ALA 64 -11.584 4.554 1.397 477 HA ALA 64 HA ALA 64 -13.117 2.289 0.781 478 1HB ALA 64 1HB ALA 64 -12.665 4.032 -1.504 479 2HB ALA 64 2HB ALA 64 -13.068 4.929 -0.043 480 3HB ALA 64 3HB ALA 64 -14.160 3.679 -0.640 481 H LEU 65 H LEU 65 -9.980 3.403 -0.306 482 HA LEU 65 HA LEU 65 -9.537 1.876 -2.558 483 1HB LEU 65 1HB LEU 65 -7.977 3.435 -0.878 484 2HB LEU 65 2HB LEU 65 -7.238 1.849 -0.771 485 HG LEU 65 HG LEU 65 -7.809 3.198 -3.396 486 1HD1 LEU 65 1HD1 LEU 65 -5.055 3.274 -2.838 487 2HD1 LEU 65 2HD1 LEU 65 -5.877 3.928 -1.424 488 3HD1 LEU 65 3HD1 LEU 65 -6.168 4.629 -3.014 489 1HD2 LEU 65 1HD2 LEU 65 -7.344 0.658 -3.117 490 2HD2 LEU 65 2HD2 LEU 65 -5.680 1.174 -2.855 491 3HD2 LEU 65 3HD2 LEU 65 -6.493 1.565 -4.368 492 H LEU 66 H LEU 66 -9.183 0.985 0.836 493 HA LEU 66 HA LEU 66 -8.201 -1.616 0.455 494 1HB LEU 66 1HB LEU 66 -9.852 -0.443 2.697 495 2HB LEU 66 2HB LEU 66 -9.122 -2.037 2.755 496 HG LEU 66 HG LEU 66 -7.711 -0.547 3.980 497 1HD1 LEU 66 1HD1 LEU 66 -5.786 -1.301 3.132 498 2HD1 LEU 66 2HD1 LEU 66 -6.069 -0.550 1.562 499 3HD1 LEU 66 3HD1 LEU 66 -6.810 -2.104 1.943 500 1HD2 LEU 66 1HD2 LEU 66 -7.022 1.544 3.320 501 2HD2 LEU 66 2HD2 LEU 66 -8.653 1.472 2.659 502 3HD2 LEU 66 3HD2 LEU 66 -7.266 1.201 1.608 503 H LYS 67 H LYS 67 -11.455 -0.312 0.702 504 HA LYS 67 HA LYS 67 -13.033 -2.531 0.796 505 1HB LYS 67 1HB LYS 67 -13.672 -0.031 0.567 506 2HB LYS 67 2HB LYS 67 -13.682 -0.350 -1.162 507 1HG LYS 67 1HG LYS 67 -15.173 -2.395 0.128 508 2HG LYS 67 2HG LYS 67 -15.720 -0.833 0.739 509 1HD LYS 67 1HD LYS 67 -16.691 -0.291 -1.206 510 2HD LYS 67 2HD LYS 67 -15.320 -0.869 -2.155 511 1HE LYS 67 1HE LYS 67 -16.711 -3.084 -0.962 512 2HE LYS 67 2HE LYS 67 -17.841 -2.070 -1.858 513 1HZ LYS 67 1HZ LYS 67 -15.526 -2.386 -3.403 514 2HZ LYS 67 2HZ LYS 67 -17.089 -2.946 -3.730 515 3HZ LYS 67 3HZ LYS 67 -16.003 -3.920 -2.871 516 H GLN 68 H GLN 68 -12.000 -1.039 -2.297 517 HA GLN 68 HA GLN 68 -12.921 -3.117 -3.935 518 1HB GLN 68 1HB GLN 68 -10.507 -1.425 -4.563 519 2HB GLN 68 2HB GLN 68 -11.624 -2.164 -5.699 520 1HG GLN 68 1HG GLN 68 -12.404 -0.044 -5.804 521 2HG GLN 68 2HG GLN 68 -13.343 -0.588 -4.406 522 1HE2 GLN 68 1HE2 GLN 68 -13.360 1.816 -4.096 523 2HE2 GLN 68 2HE2 GLN 68 -12.069 2.501 -3.174 524 H ILE 69 H ILE 69 -9.874 -2.648 -2.253 525 HA ILE 69 HA ILE 69 -8.439 -4.740 -3.454 526 HB ILE 69 HB ILE 69 -8.105 -3.645 -0.670 527 1HG1 ILE 69 1HG1 ILE 69 -8.046 -2.058 -2.742 528 2HG1 ILE 69 2HG1 ILE 69 -6.798 -1.924 -1.514 529 1HG2 ILE 69 1HG2 ILE 69 -6.152 -4.765 -0.470 530 2HG2 ILE 69 2HG2 ILE 69 -5.785 -4.668 -2.190 531 3HG2 ILE 69 3HG2 ILE 69 -6.932 -5.865 -1.602 532 1HD1 ILE 69 1HD1 ILE 69 -5.949 -1.790 -3.825 533 2HD1 ILE 69 2HD1 ILE 69 -6.507 -3.440 -4.099 534 3HD1 ILE 69 3HD1 ILE 69 -5.246 -3.120 -2.907 535 H LYS 70 H LYS 70 -10.449 -4.621 -0.589 536 HA LYS 70 HA LYS 70 -10.001 -7.344 0.106 537 1HB LYS 70 1HB LYS 70 -11.634 -6.984 1.855 538 2HB LYS 70 2HB LYS 70 -10.534 -5.617 1.780 539 1HG LYS 70 1HG LYS 70 -12.194 -4.318 0.581 540 2HG LYS 70 2HG LYS 70 -13.306 -5.689 0.617 541 1HD LYS 70 1HD LYS 70 -13.893 -4.135 2.365 542 2HD LYS 70 2HD LYS 70 -13.244 -5.607 3.094 543 1HE LYS 70 1HE LYS 70 -11.866 -4.285 4.241 544 2HE LYS 70 2HE LYS 70 -11.014 -4.011 2.723 545 1HZ LYS 70 1HZ LYS 70 -12.864 -2.263 4.152 546 2HZ LYS 70 2HZ LYS 70 -12.905 -2.209 2.470 547 3HZ LYS 70 3HZ LYS 70 -11.466 -1.880 3.286 548 H GLN 71 H GLN 71 -12.228 -5.683 -1.939 549 HA GLN 71 HA GLN 71 -14.100 -7.859 -1.985 550 1HB GLN 71 1HB GLN 71 -15.205 -5.829 -2.176 551 2HB GLN 71 2HB GLN 71 -13.986 -5.152 -3.242 552 1HG GLN 71 1HG GLN 71 -15.320 -7.427 -4.441 553 2HG GLN 71 2HG GLN 71 -16.457 -6.170 -3.963 554 1HE2 GLN 71 1HE2 GLN 71 -13.161 -5.457 -4.876 555 2HE2 GLN 71 2HE2 GLN 71 -13.538 -4.688 -6.376 556 H ARG 72 H ARG 72 -11.651 -6.500 -4.081 557 HA ARG 72 HA ARG 72 -12.189 -8.450 -6.154 558 1HB ARG 72 1HB ARG 72 -10.701 -5.940 -5.966 559 2HB ARG 72 2HB ARG 72 -9.889 -7.168 -6.926 560 1HG ARG 72 1HG ARG 72 -12.740 -6.859 -7.516 561 2HG ARG 72 2HG ARG 72 -11.755 -5.438 -7.867 562 1HD ARG 72 1HD ARG 72 -11.475 -6.524 -9.838 563 2HD ARG 72 2HD ARG 72 -10.177 -7.302 -8.932 564 HE ARG 72 HE ARG 72 -11.347 -9.269 -9.004 565 1HH1 ARG 72 1HH1 ARG 72 -13.480 -6.649 -9.878 566 2HH1 ARG 72 2HH1 ARG 72 -14.772 -7.694 -10.364 567 1HH2 ARG 72 1HH2 ARG 72 -13.046 -10.649 -9.645 568 2HH2 ARG 72 2HH2 ARG 72 -14.527 -9.967 -10.231 569 H HIS 73 H HIS 73 -9.266 -7.472 -4.447 570 HA HIS 73 HA HIS 73 -7.974 -9.976 -5.047 571 1HB HIS 73 1HB HIS 73 -6.801 -8.020 -3.111 572 2HB HIS 73 2HB HIS 73 -6.011 -8.962 -4.375 573 HD1 HIS 73 HD1 HIS 73 -7.349 -8.111 -6.885 574 HD2 HIS 73 HD2 HIS 73 -6.572 -5.430 -3.820 575 HE1 HIS 73 HE1 HIS 73 -7.397 -5.836 -7.954 576 HE2 HIS 73 HE2 HIS 73 -6.922 -4.228 -6.079 577 HA PRO 74 HA PRO 74 -9.344 -12.364 -1.594 578 1HB PRO 74 1HB PRO 74 -6.532 -13.362 -1.566 579 2HB PRO 74 2HB PRO 74 -8.050 -14.266 -1.581 580 1HG PRO 74 1HG PRO 74 -6.590 -14.042 -3.793 581 2HG PRO 74 2HG PRO 74 -8.361 -13.968 -3.860 582 1HD PRO 74 1HD PRO 74 -6.360 -11.767 -4.075 583 2HD PRO 74 2HD PRO 74 -7.922 -11.960 -4.898 584 H MET 75 H MET 75 -5.886 -11.738 -0.967 585 HA MET 75 HA MET 75 -6.619 -10.133 1.355 586 1HB MET 75 1HB MET 75 -4.924 -12.627 1.524 587 2HB MET 75 2HB MET 75 -5.117 -11.456 2.821 588 1HG MET 75 1HG MET 75 -6.737 -12.835 3.504 589 2HG MET 75 2HG MET 75 -7.702 -12.017 2.275 590 1HE MET 75 1HE MET 75 -9.078 -15.517 1.624 591 2HE MET 75 2HE MET 75 -9.420 -13.804 1.381 592 3HE MET 75 3HE MET 75 -9.009 -14.401 2.989 593 H LEU 76 H LEU 76 -5.403 -9.383 -1.098 594 HA LEU 76 HA LEU 76 -2.609 -9.225 -1.003 595 1HB LEU 76 1HB LEU 76 -3.804 -8.729 -3.031 596 2HB LEU 76 2HB LEU 76 -4.670 -7.419 -2.258 597 HG LEU 76 HG LEU 76 -2.697 -6.932 -3.897 598 1HD1 LEU 76 1HD1 LEU 76 -4.059 -5.535 -1.996 599 2HD1 LEU 76 2HD1 LEU 76 -2.937 -4.843 -3.172 600 3HD1 LEU 76 3HD1 LEU 76 -2.378 -5.240 -1.546 601 1HD2 LEU 76 1HD2 LEU 76 -0.855 -8.026 -3.065 602 2HD2 LEU 76 2HD2 LEU 76 -1.297 -7.738 -1.385 603 3HD2 LEU 76 3HD2 LEU 76 -0.650 -6.425 -2.361 604 HA PRO 77 HA PRO 77 -2.458 -6.640 2.743 605 1HB PRO 77 1HB PRO 77 0.311 -6.365 2.564 606 2HB PRO 77 2HB PRO 77 -0.541 -7.618 3.469 607 1HG PRO 77 1HG PRO 77 0.676 -7.736 0.748 608 2HG PRO 77 2HG PRO 77 0.637 -8.973 2.017 609 1HD PRO 77 1HD PRO 77 -0.984 -9.128 -0.101 610 2HD PRO 77 2HD PRO 77 -1.549 -9.594 1.517 611 H VAL 78 H VAL 78 -2.566 -4.492 2.912 612 HA VAL 78 HA VAL 78 -1.313 -2.802 0.867 613 HB VAL 78 HB VAL 78 -3.985 -2.050 1.984 614 1HG1 VAL 78 1HG1 VAL 78 -3.539 -0.292 0.704 615 2HG1 VAL 78 2HG1 VAL 78 -3.805 -1.339 -0.689 616 3HG1 VAL 78 3HG1 VAL 78 -2.174 -1.103 -0.061 617 1HG2 VAL 78 1HG2 VAL 78 -3.513 -3.993 -0.266 618 2HG2 VAL 78 2HG2 VAL 78 -5.018 -3.096 -0.069 619 3HG2 VAL 78 3HG2 VAL 78 -4.491 -4.221 1.182 620 H ILE 79 H ILE 79 -0.819 -0.674 1.539 621 HA ILE 79 HA ILE 79 -1.006 -0.174 4.432 622 HB ILE 79 HB ILE 79 1.446 0.385 2.769 623 1HG1 ILE 79 1HG1 ILE 79 1.764 -1.449 5.001 624 2HG1 ILE 79 2HG1 ILE 79 0.647 -2.068 3.793 625 1HG2 ILE 79 1HG2 ILE 79 1.301 0.479 5.754 626 2HG2 ILE 79 2HG2 ILE 79 0.774 1.859 4.792 627 3HG2 ILE 79 3HG2 ILE 79 2.430 1.279 4.663 628 1HD1 ILE 79 1HD1 ILE 79 2.655 -1.202 2.215 629 2HD1 ILE 79 2HD1 ILE 79 2.515 -2.845 2.846 630 3HD1 ILE 79 3HD1 ILE 79 3.547 -1.674 3.663 631 H ILE 80 H ILE 80 -2.060 1.668 4.749 632 HA ILE 80 HA ILE 80 -2.160 3.607 2.589 633 HB ILE 80 HB ILE 80 -3.720 3.705 5.163 634 1HG1 ILE 80 1HG1 ILE 80 -4.141 1.563 4.048 635 2HG1 ILE 80 2HG1 ILE 80 -5.547 2.616 3.919 636 1HG2 ILE 80 1HG2 ILE 80 -3.432 5.664 3.410 637 2HG2 ILE 80 2HG2 ILE 80 -4.969 5.354 4.215 638 3HG2 ILE 80 3HG2 ILE 80 -4.698 4.769 2.575 639 1HD1 ILE 80 1HD1 ILE 80 -3.497 2.204 1.756 640 2HD1 ILE 80 2HD1 ILE 80 -4.979 3.153 1.636 641 3HD1 ILE 80 3HD1 ILE 80 -5.065 1.402 1.841 642 H MET 81 H MET 81 -1.554 5.716 2.733 643 HA MET 81 HA MET 81 0.594 6.280 4.531 644 1HB MET 81 1HB MET 81 0.044 8.682 3.299 645 2HB MET 81 2HB MET 81 1.190 7.477 2.751 646 1HG MET 81 1HG MET 81 -1.664 7.290 1.910 647 2HG MET 81 2HG MET 81 -0.589 8.445 1.125 648 1HE MET 81 1HE MET 81 2.179 6.897 1.293 649 2HE MET 81 2HE MET 81 1.669 7.700 -0.183 650 3HE MET 81 3HE MET 81 2.225 6.028 -0.238 651 H THR 82 H THR 82 -2.791 6.949 4.630 652 HA THR 82 HA THR 82 -2.365 8.382 7.133 653 HB THR 82 HB THR 82 -4.244 9.591 5.116 654 HG1 THR 82 HG1 THR 82 -2.387 9.849 4.038 655 1HG2 THR 82 1HG2 THR 82 -2.754 10.800 7.429 656 2HG2 THR 82 2HG2 THR 82 -4.456 10.340 7.428 657 3HG2 THR 82 3HG2 THR 82 -3.891 11.626 6.363 658 H ALA 83 H ALA 83 -4.417 8.600 8.397 659 HA ALA 83 HA ALA 83 -6.461 6.669 7.542 660 1HB ALA 83 1HB ALA 83 -5.995 6.636 10.425 661 2HB ALA 83 2HB ALA 83 -4.628 6.053 9.475 662 3HB ALA 83 3HB ALA 83 -6.215 5.305 9.287 663 H HIS 84 H HIS 84 -7.099 9.119 7.062 664 HA HIS 84 HA HIS 84 -8.499 10.229 9.384 665 1HB HIS 84 1HB HIS 84 -8.885 12.206 7.902 666 2HB HIS 84 2HB HIS 84 -7.181 11.849 8.160 667 HD1 HIS 84 HD1 HIS 84 -9.842 11.793 5.525 668 HD2 HIS 84 HD2 HIS 84 -5.764 11.103 5.878 669 HE1 HIS 84 HE1 HIS 84 -8.972 11.651 3.169 670 HE2 HIS 84 HE2 HIS 84 -6.494 11.307 3.409 671 H SER 85 H SER 85 -10.688 11.370 8.522 672 HA SER 85 HA SER 85 -12.847 11.048 7.870 673 1HB SER 85 1HB SER 85 -11.354 10.451 5.660 674 2HB SER 85 2HB SER 85 -12.273 8.961 5.868 675 HG SER 85 HG SER 85 -13.200 10.852 4.605 676 H ASP 86 H ASP 86 -14.027 8.600 6.832 677 HA ASP 86 HA ASP 86 -14.723 7.324 9.224 678 1HB ASP 86 1HB ASP 86 -14.961 6.179 6.434 679 2HB ASP 86 2HB ASP 86 -15.916 5.733 7.841 680 H LEU 87 H LEU 87 -12.612 6.885 10.146 681 HA LEU 87 HA LEU 87 -10.650 5.248 9.128 682 1HB LEU 87 1HB LEU 87 -11.233 6.448 11.582 683 2HB LEU 87 2HB LEU 87 -10.996 4.749 11.942 684 HG LEU 87 HG LEU 87 -9.013 6.497 10.481 685 1HD1 LEU 87 1HD1 LEU 87 -8.785 5.411 13.275 686 2HD1 LEU 87 2HD1 LEU 87 -9.402 7.024 12.918 687 3HD1 LEU 87 3HD1 LEU 87 -7.751 6.593 12.472 688 1HD2 LEU 87 1HD2 LEU 87 -9.270 3.668 10.670 689 2HD2 LEU 87 2HD2 LEU 87 -7.855 4.166 11.597 690 3HD2 LEU 87 3HD2 LEU 87 -7.999 4.614 9.898 691 H ASP 88 H ASP 88 -13.778 4.317 10.217 692 HA ASP 88 HA ASP 88 -13.493 1.760 11.113 693 1HB ASP 88 1HB ASP 88 -15.737 1.360 9.955 694 2HB ASP 88 2HB ASP 88 -15.646 2.681 11.117 695 H ALA 89 H ALA 89 -13.802 2.718 7.704 696 HA ALA 89 HA ALA 89 -13.708 0.187 6.579 697 1HB ALA 89 1HB ALA 89 -12.930 2.876 5.520 698 2HB ALA 89 2HB ALA 89 -14.346 1.900 5.137 699 3HB ALA 89 3HB ALA 89 -12.760 1.421 4.537 700 H ALA 90 H ALA 90 -11.161 1.943 8.077 701 HA ALA 90 HA ALA 90 -8.983 0.740 6.691 702 1HB ALA 90 1HB ALA 90 -8.589 2.784 7.881 703 2HB ALA 90 2HB ALA 90 -7.618 1.513 8.623 704 3HB ALA 90 3HB ALA 90 -9.101 2.055 9.402 705 H VAL 91 H VAL 91 -10.862 -0.102 9.537 706 HA VAL 91 HA VAL 91 -9.181 -2.190 10.428 707 HB VAL 91 HB VAL 91 -12.147 -2.119 10.899 708 1HG1 VAL 91 1HG1 VAL 91 -10.976 -2.865 13.216 709 2HG1 VAL 91 2HG1 VAL 91 -9.803 -3.482 12.050 710 3HG1 VAL 91 3HG1 VAL 91 -11.489 -3.997 11.963 711 1HG2 VAL 91 1HG2 VAL 91 -10.212 -0.106 11.602 712 2HG2 VAL 91 2HG2 VAL 91 -10.862 -0.867 13.055 713 3HG2 VAL 91 3HG2 VAL 91 -11.952 -0.129 11.883 714 H SER 92 H SER 92 -11.900 -2.068 8.199 715 HA SER 92 HA SER 92 -12.250 -4.836 7.864 716 1HB SER 92 1HB SER 92 -12.667 -2.786 5.698 717 2HB SER 92 2HB SER 92 -13.539 -4.298 5.941 718 HG SER 92 HG SER 92 -14.893 -3.133 7.038 719 H ALA 93 H ALA 93 -9.752 -2.734 6.877 720 HA ALA 93 HA ALA 93 -8.846 -4.212 4.631 721 1HB ALA 93 1HB ALA 93 -7.240 -2.268 6.231 722 2HB ALA 93 2HB ALA 93 -8.467 -1.770 5.064 723 3HB ALA 93 3HB ALA 93 -7.063 -2.693 4.528 724 H TYR 94 H TYR 94 -7.517 -3.741 7.864 725 HA TYR 94 HA TYR 94 -5.425 -5.552 7.703 726 1HB TYR 94 1HB TYR 94 -6.901 -5.314 10.290 727 2HB TYR 94 2HB TYR 94 -5.168 -5.357 9.995 728 HD1 TYR 94 HD1 TYR 94 -4.425 -3.246 8.396 729 HD2 TYR 94 HD2 TYR 94 -7.683 -3.331 11.129 730 HE1 TYR 94 HE1 TYR 94 -4.339 -0.799 8.571 731 HE2 TYR 94 HE2 TYR 94 -7.605 -0.881 11.307 732 HH TYR 94 HH TYR 94 -5.411 0.936 10.816 733 H GLN 95 H GLN 95 -8.791 -6.103 8.347 734 HA GLN 95 HA GLN 95 -8.452 -8.837 9.142 735 1HB GLN 95 1HB GLN 95 -10.874 -8.955 9.131 736 2HB GLN 95 2HB GLN 95 -10.342 -7.473 9.915 737 1HG GLN 95 1HG GLN 95 -11.999 -6.630 8.635 738 2HG GLN 95 2HG GLN 95 -10.657 -6.495 7.505 739 1HE2 GLN 95 1HE2 GLN 95 -12.766 -6.411 6.165 740 2HE2 GLN 95 2HE2 GLN 95 -13.255 -7.920 5.480 741 H GLN 96 H GLN 96 -9.188 -7.176 6.122 742 HA GLN 96 HA GLN 96 -9.792 -9.595 4.720 743 1HB GLN 96 1HB GLN 96 -9.921 -8.229 2.726 744 2HB GLN 96 2HB GLN 96 -10.756 -7.418 4.043 745 1HG GLN 96 1HG GLN 96 -9.568 -5.617 3.582 746 2HG GLN 96 2HG GLN 96 -8.151 -6.475 4.169 747 1HE2 GLN 96 1HE2 GLN 96 -8.381 -4.441 2.110 748 2HE2 GLN 96 2HE2 GLN 96 -7.740 -5.141 0.666 749 H GLY 97 H GLY 97 -6.902 -7.957 5.584 750 1HA GLY 97 1HA GLY 97 -5.013 -9.674 5.163 751 2HA GLY 97 2HA GLY 97 -5.401 -9.364 3.481 752 H ALA 98 H ALA 98 -5.926 -6.434 4.635 753 HA ALA 98 HA ALA 98 -3.622 -5.294 3.607 754 1HB ALA 98 1HB ALA 98 -5.700 -4.050 3.958 755 2HB ALA 98 2HB ALA 98 -4.312 -3.218 4.657 756 3HB ALA 98 3HB ALA 98 -5.427 -4.099 5.698 757 H PHE 99 H PHE 99 -1.855 -4.144 4.664 758 HA PHE 99 HA PHE 99 -0.737 -5.694 6.799 759 1HB PHE 99 1HB PHE 99 0.695 -4.905 4.967 760 2HB PHE 99 2HB PHE 99 0.347 -3.237 5.408 761 HD1 PHE 99 HD1 PHE 99 1.511 -6.336 7.149 762 HD2 PHE 99 HD2 PHE 99 2.030 -2.159 6.533 763 HE1 PHE 99 HE1 PHE 99 3.425 -6.345 8.696 764 HE2 PHE 99 HE2 PHE 99 3.945 -2.163 8.070 765 HZ PHE 99 HZ PHE 99 4.647 -4.258 9.156 766 H ASP 100 H ASP 100 -1.540 -2.236 6.399 767 HA ASP 100 HA ASP 100 -2.771 -1.851 8.828 768 1HB ASP 100 1HB ASP 100 -0.071 -2.383 9.304 769 2HB ASP 100 2HB ASP 100 -0.198 -0.634 9.436 770 H TYR 101 H TYR 101 -1.800 0.628 9.660 771 HA TYR 101 HA TYR 101 -2.101 2.293 7.250 772 1HB TYR 101 1HB TYR 101 -3.698 2.220 9.728 773 2HB TYR 101 2HB TYR 101 -3.197 3.832 9.232 774 HD1 TYR 101 HD1 TYR 101 -4.870 0.763 7.930 775 HD2 TYR 101 HD2 TYR 101 -4.435 4.984 7.630 776 HE1 TYR 101 HE1 TYR 101 -6.736 0.836 6.330 777 HE2 TYR 101 HE2 TYR 101 -6.302 5.068 6.029 778 HH TYR 101 HH TYR 101 -7.578 3.758 4.610 779 H LEU 102 H LEU 102 -0.450 3.636 6.976 780 HA LEU 102 HA LEU 102 1.296 4.230 9.262 781 1HB LEU 102 1HB LEU 102 2.444 3.220 7.409 782 2HB LEU 102 2HB LEU 102 1.735 4.352 6.278 783 HG LEU 102 HG LEU 102 3.058 6.082 7.870 784 1HD1 LEU 102 1HD1 LEU 102 5.366 4.554 7.838 785 2HD1 LEU 102 2HD1 LEU 102 4.138 3.466 8.484 786 3HD1 LEU 102 3HD1 LEU 102 4.434 5.022 9.259 787 1HD2 LEU 102 1HD2 LEU 102 4.430 4.568 5.652 788 2HD2 LEU 102 2HD2 LEU 102 4.670 6.249 6.132 789 3HD2 LEU 102 3HD2 LEU 102 3.157 5.758 5.370 790 HA PRO 103 HA PRO 103 -0.188 8.394 9.560 791 1HB PRO 103 1HB PRO 103 2.233 9.617 10.183 792 2HB PRO 103 2HB PRO 103 1.148 8.854 11.343 793 1HG PRO 103 1HG PRO 103 3.597 7.751 10.035 794 2HG PRO 103 2HG PRO 103 3.038 7.568 11.708 795 1HD PRO 103 1HD PRO 103 2.733 5.596 9.935 796 2HD PRO 103 2HD PRO 103 1.470 5.947 11.135 797 H LYS 104 H LYS 104 0.100 10.536 8.537 798 HA LYS 104 HA LYS 104 0.226 10.494 5.848 799 1HB LYS 104 1HB LYS 104 -0.494 12.458 7.150 800 2HB LYS 104 2HB LYS 104 1.191 12.834 7.491 801 1HG LYS 104 1HG LYS 104 0.255 14.193 5.658 802 2HG LYS 104 2HG LYS 104 1.635 13.217 5.153 803 1HD LYS 104 1HD LYS 104 -0.663 11.641 4.730 804 2HD LYS 104 2HD LYS 104 -1.045 13.249 4.123 805 1HE LYS 104 1HE LYS 104 0.639 13.190 2.535 806 2HE LYS 104 2HE LYS 104 1.554 11.957 3.401 807 1HZ LYS 104 1HZ LYS 104 -1.056 11.479 2.067 808 2HZ LYS 104 2HZ LYS 104 -0.061 10.315 2.773 809 3HZ LYS 104 3HZ LYS 104 0.443 11.110 1.367 810 HA PRO 105 HA PRO 105 5.070 11.686 6.011 811 1HB PRO 105 1HB PRO 105 5.579 9.627 8.123 812 2HB PRO 105 2HB PRO 105 6.459 11.122 7.775 813 1HG PRO 105 1HG PRO 105 4.780 10.997 9.837 814 2HG PRO 105 2HG PRO 105 4.880 12.455 8.833 815 1HD PRO 105 1HD PRO 105 2.778 10.357 8.916 816 2HD PRO 105 2HD PRO 105 2.626 12.089 8.578 817 H PHE 106 H PHE 106 6.697 10.234 4.992 818 HA PHE 106 HA PHE 106 6.055 7.478 4.611 819 1HB PHE 106 1HB PHE 106 4.373 8.861 3.209 820 2HB PHE 106 2HB PHE 106 5.730 9.137 2.130 821 HD1 PHE 106 HD1 PHE 106 3.427 6.655 3.495 822 HD2 PHE 106 HD2 PHE 106 6.603 7.369 0.756 823 HE1 PHE 106 HE1 PHE 106 2.956 4.509 2.398 824 HE2 PHE 106 HE2 PHE 106 6.140 5.226 -0.351 825 HZ PHE 106 HZ PHE 106 4.310 3.790 0.465 826 H ASP 107 H ASP 107 7.350 9.400 1.949 827 HA ASP 107 HA ASP 107 9.344 9.126 0.858 828 1HB ASP 107 1HB ASP 107 11.279 9.737 2.591 829 2HB ASP 107 2HB ASP 107 10.139 10.937 1.991 830 H ILE 108 H ILE 108 11.824 8.245 1.426 831 HA ILE 108 HA ILE 108 11.455 5.456 1.438 832 HB ILE 108 HB ILE 108 13.749 7.261 1.182 833 1HG1 ILE 108 1HG1 ILE 108 14.083 6.097 -0.852 834 2HG1 ILE 108 2HG1 ILE 108 13.124 4.726 -0.300 835 1HG2 ILE 108 1HG2 ILE 108 15.408 5.473 1.310 836 2HG2 ILE 108 2HG2 ILE 108 14.167 4.358 1.864 837 3HG2 ILE 108 3HG2 ILE 108 14.626 5.730 2.869 838 1HD1 ILE 108 1HD1 ILE 108 11.934 6.101 -1.940 839 2HD1 ILE 108 2HD1 ILE 108 12.041 7.475 -0.851 840 3HD1 ILE 108 3HD1 ILE 108 11.111 6.056 -0.388 841 H ASP 109 H ASP 109 13.006 7.563 3.780 842 HA ASP 109 HA ASP 109 13.789 5.715 5.625 843 1HB ASP 109 1HB ASP 109 13.324 7.589 7.318 844 2HB ASP 109 2HB ASP 109 14.427 7.934 5.987 845 H GLU 110 H GLU 110 10.614 7.387 5.675 846 HA GLU 110 HA GLU 110 9.657 5.717 7.756 847 1HB GLU 110 1HB GLU 110 8.069 7.590 6.013 848 2HB GLU 110 2HB GLU 110 7.568 6.916 7.553 849 1HG GLU 110 1HG GLU 110 10.092 8.433 7.561 850 2HG GLU 110 2HG GLU 110 8.619 9.359 7.261 851 H ALA 111 H ALA 111 9.367 5.609 4.261 852 HA ALA 111 HA ALA 111 7.241 3.674 4.390 853 1HB ALA 111 1HB ALA 111 7.018 4.875 2.458 854 2HB ALA 111 2HB ALA 111 7.867 3.449 1.864 855 3HB ALA 111 3HB ALA 111 8.755 4.937 2.165 856 H VAL 112 H VAL 112 10.600 3.554 3.182 857 HA VAL 112 HA VAL 112 10.738 0.819 2.810 858 HB VAL 112 HB VAL 112 13.006 2.534 3.806 859 1HG1 VAL 112 1HG1 VAL 112 12.880 -0.193 3.435 860 2HG1 VAL 112 2HG1 VAL 112 14.353 0.780 3.449 861 3HG1 VAL 112 3HG1 VAL 112 13.572 0.386 1.917 862 1HG2 VAL 112 1HG2 VAL 112 11.691 2.287 1.151 863 2HG2 VAL 112 2HG2 VAL 112 13.447 2.440 1.191 864 3HG2 VAL 112 3HG2 VAL 112 12.436 3.690 1.915 865 H ALA 113 H ALA 113 10.923 2.706 5.699 866 HA ALA 113 HA ALA 113 11.985 0.825 7.489 867 1HB ALA 113 1HB ALA 113 10.926 3.406 7.614 868 2HB ALA 113 2HB ALA 113 11.661 2.499 8.937 869 3HB ALA 113 3HB ALA 113 9.917 2.440 8.682 870 H LEU 114 H LEU 114 8.657 1.650 6.672 871 HA LEU 114 HA LEU 114 7.530 -0.448 8.221 872 1HB LEU 114 1HB LEU 114 6.397 1.689 7.841 873 2HB LEU 114 2HB LEU 114 6.276 1.309 6.134 874 HG LEU 114 HG LEU 114 5.025 -0.838 7.101 875 1HD1 LEU 114 1HD1 LEU 114 5.112 1.070 9.321 876 2HD1 LEU 114 2HD1 LEU 114 4.790 -0.662 9.322 877 3HD1 LEU 114 3HD1 LEU 114 3.498 0.474 8.929 878 1HD2 LEU 114 1HD2 LEU 114 3.193 0.062 6.161 879 2HD2 LEU 114 2HD2 LEU 114 4.327 1.311 5.650 880 3HD2 LEU 114 3HD2 LEU 114 3.321 1.561 7.077 881 H VAL 115 H VAL 115 8.700 -0.286 4.972 882 HA VAL 115 HA VAL 115 7.006 -2.401 4.026 883 HB VAL 115 HB VAL 115 8.015 -0.683 2.494 884 1HG1 VAL 115 1HG1 VAL 115 10.249 -0.886 1.738 885 2HG1 VAL 115 2HG1 VAL 115 10.482 -2.401 2.609 886 3HG1 VAL 115 3HG1 VAL 115 10.320 -0.891 3.494 887 1HG2 VAL 115 1HG2 VAL 115 8.889 -2.966 1.072 888 2HG2 VAL 115 2HG2 VAL 115 7.339 -2.138 0.971 889 3HG2 VAL 115 3HG2 VAL 115 7.552 -3.466 2.107 890 H GLU 116 H GLU 116 10.437 -2.213 4.930 891 HA GLU 116 HA GLU 116 11.013 -4.924 4.456 892 1HB GLU 116 1HB GLU 116 12.307 -2.845 6.210 893 2HB GLU 116 2HB GLU 116 12.925 -4.489 6.104 894 1HG GLU 116 1HG GLU 116 13.053 -4.154 3.610 895 2HG GLU 116 2HG GLU 116 12.726 -2.448 3.909 896 H ARG 117 H ARG 117 9.962 -3.242 7.412 897 HA ARG 117 HA ARG 117 10.071 -5.553 9.038 898 1HB ARG 117 1HB ARG 117 8.857 -4.267 10.692 899 2HB ARG 117 2HB ARG 117 10.119 -3.283 9.966 900 1HG ARG 117 1HG ARG 117 8.263 -2.399 8.427 901 2HG ARG 117 2HG ARG 117 7.155 -3.095 9.614 902 1HD ARG 117 1HD ARG 117 9.375 -1.418 10.639 903 2HD ARG 117 2HD ARG 117 8.068 -0.592 9.798 904 HE ARG 117 HE ARG 117 6.881 -2.289 11.634 905 1HH1 ARG 117 1HH1 ARG 117 9.033 0.456 11.685 906 2HH1 ARG 117 2HH1 ARG 117 8.500 1.009 13.237 907 1HH2 ARG 117 1HH2 ARG 117 6.169 -1.568 13.679 908 2HH2 ARG 117 2HH2 ARG 117 6.870 -0.144 14.373 909 H ALA 118 H ALA 118 7.771 -4.392 6.765 910 HA ALA 118 HA ALA 118 5.529 -5.839 7.765 911 1HB ALA 118 1HB ALA 118 5.947 -4.808 4.967 912 2HB ALA 118 2HB ALA 118 5.345 -3.832 6.307 913 3HB ALA 118 3HB ALA 118 4.415 -5.217 5.739 914 H ILE 119 H ILE 119 7.772 -6.348 5.048 915 HA ILE 119 HA ILE 119 6.713 -8.881 4.345 916 HB ILE 119 HB ILE 119 9.486 -7.882 3.733 917 1HG1 ILE 119 1HG1 ILE 119 7.341 -7.516 1.732 918 2HG1 ILE 119 2HG1 ILE 119 7.264 -6.451 3.135 919 1HG2 ILE 119 1HG2 ILE 119 9.093 -9.236 1.643 920 2HG2 ILE 119 2HG2 ILE 119 7.673 -9.906 2.451 921 3HG2 ILE 119 3HG2 ILE 119 9.278 -10.156 3.139 922 1HD1 ILE 119 1HD1 ILE 119 9.693 -6.799 1.404 923 2HD1 ILE 119 2HD1 ILE 119 9.460 -5.621 2.697 924 3HD1 ILE 119 3HD1 ILE 119 8.507 -5.507 1.218 925 H SER 120 H SER 120 9.202 -7.792 6.499 926 HA SER 120 HA SER 120 10.459 -10.295 6.919 927 1HB SER 120 1HB SER 120 11.392 -7.965 7.434 928 2HB SER 120 2HB SER 120 10.420 -8.025 8.905 929 HG SER 120 HG SER 120 11.931 -9.203 9.742 930 H HIS 121 H HIS 121 7.904 -8.533 8.615 931 HA HIS 121 HA HIS 121 7.647 -10.420 10.725 932 1HB HIS 121 1HB HIS 121 6.148 -8.040 9.789 933 2HB HIS 121 2HB HIS 121 5.247 -9.205 10.753 934 HD1 HIS 121 HD1 HIS 121 8.734 -7.689 11.106 935 HD2 HIS 121 HD2 HIS 121 5.270 -8.361 13.312 936 HE1 HIS 121 HE1 HIS 121 9.228 -6.833 13.417 937 HE2 HIS 121 HE2 HIS 121 7.093 -7.177 14.712 938 H TYR 122 H TYR 122 6.346 -10.172 7.534 939 HA TYR 122 HA TYR 122 4.284 -12.120 7.962 940 1HB TYR 122 1HB TYR 122 4.941 -10.219 5.929 941 2HB TYR 122 2HB TYR 122 4.755 -11.806 5.193 942 HD1 TYR 122 HD1 TYR 122 3.040 -8.942 5.726 943 HD2 TYR 122 HD2 TYR 122 2.630 -13.108 6.475 944 HE1 TYR 122 HE1 TYR 122 0.597 -8.682 5.800 945 HE2 TYR 122 HE2 TYR 122 0.188 -12.860 6.557 946 HH TYR 122 HH TYR 122 -1.398 -9.921 5.625 947 H GLN 123 H GLN 123 7.263 -12.006 6.025 948 HA GLN 123 HA GLN 123 8.681 -13.631 5.303 949 1HB GLN 123 1HB GLN 123 8.490 -14.109 7.872 950 2HB GLN 123 2HB GLN 123 7.592 -15.529 7.349 951 1HG GLN 123 1HG GLN 123 9.456 -16.602 6.848 952 2HG GLN 123 2HG GLN 123 10.014 -15.274 5.835 953 1HE2 GLN 123 1HE2 GLN 123 11.685 -14.103 6.504 954 2HE2 GLN 123 2HE2 GLN 123 12.400 -14.183 8.076 955 H GLU 124 H GLU 124 8.762 -15.950 4.469 956 HA GLU 124 HA GLU 124 6.250 -16.469 3.059 957 1HB GLU 124 1HB GLU 124 7.656 -17.862 1.547 958 2HB GLU 124 2HB GLU 124 8.141 -16.174 1.600 959 1HG GLU 124 1HG GLU 124 10.203 -16.865 1.994 960 2HG GLU 124 2HG GLU 124 9.655 -17.405 3.580 Start of MODEL 7 1 1H MET 1 1H MET 1 11.042 -17.044 -0.288 2 2H MET 1 2H MET 1 11.657 -17.604 -1.789 3 3H MET 1 3H MET 1 11.485 -18.690 -0.471 4 HA MET 1 HA MET 1 9.755 -19.061 -2.001 5 1HB MET 1 1HB MET 1 9.388 -18.091 0.721 6 2HB MET 1 2HB MET 1 7.931 -17.906 -0.245 7 1HG MET 1 1HG MET 1 9.310 -20.509 -0.424 8 2HG MET 1 2HG MET 1 8.527 -20.126 1.109 9 1HE MET 1 1HE MET 1 6.600 -22.712 -0.303 10 2HE MET 1 2HE MET 1 8.251 -22.364 -0.818 11 3HE MET 1 3HE MET 1 6.938 -22.346 -1.995 12 H GLN 2 H GLN 2 10.660 -15.832 -1.799 13 HA GLN 2 HA GLN 2 8.742 -15.115 -3.859 14 1HB GLN 2 1HB GLN 2 8.734 -13.986 -1.113 15 2HB GLN 2 2HB GLN 2 8.530 -12.848 -2.437 16 1HG GLN 2 1HG GLN 2 6.863 -15.319 -2.331 17 2HG GLN 2 2HG GLN 2 6.457 -13.933 -1.319 18 1HE2 GLN 2 1HE2 GLN 2 4.562 -14.539 -2.969 19 2HE2 GLN 2 2HE2 GLN 2 4.507 -13.499 -4.348 20 H ARG 3 H ARG 3 9.270 -13.002 -4.854 21 HA ARG 3 HA ARG 3 12.150 -12.633 -4.909 22 1HB ARG 3 1HB ARG 3 11.756 -11.446 -7.044 23 2HB ARG 3 2HB ARG 3 11.152 -13.097 -7.059 24 1HG ARG 3 1HG ARG 3 8.945 -11.743 -6.249 25 2HG ARG 3 2HG ARG 3 9.713 -10.556 -7.304 26 1HD ARG 3 1HD ARG 3 9.703 -13.253 -8.416 27 2HD ARG 3 2HD ARG 3 8.086 -12.620 -8.112 28 HE ARG 3 HE ARG 3 9.807 -10.775 -9.484 29 1HH1 ARG 3 1HH1 ARG 3 7.584 -13.438 -9.870 30 2HH1 ARG 3 2HH1 ARG 3 7.183 -13.028 -11.504 31 1HH2 ARG 3 1HH2 ARG 3 9.278 -10.235 -11.630 32 2HH2 ARG 3 2HH2 ARG 3 8.142 -11.211 -12.502 33 H GLY 4 H GLY 4 9.278 -11.100 -3.863 34 1HA GLY 4 1HA GLY 4 9.213 -9.247 -2.419 35 2HA GLY 4 2HA GLY 4 10.835 -8.815 -2.937 36 H ILE 5 H ILE 5 7.476 -8.311 -3.401 37 HA ILE 5 HA ILE 5 8.092 -6.323 -5.482 38 HB ILE 5 HB ILE 5 5.554 -7.942 -5.447 39 1HG1 ILE 5 1HG1 ILE 5 7.026 -8.660 -7.708 40 2HG1 ILE 5 2HG1 ILE 5 8.201 -8.670 -6.396 41 1HG2 ILE 5 1HG2 ILE 5 6.419 -6.767 -7.960 42 2HG2 ILE 5 2HG2 ILE 5 6.188 -5.559 -6.694 43 3HG2 ILE 5 3HG2 ILE 5 4.868 -6.646 -7.129 44 1HD1 ILE 5 1HD1 ILE 5 7.273 -10.463 -5.405 45 2HD1 ILE 5 2HD1 ILE 5 6.685 -10.770 -7.039 46 3HD1 ILE 5 3HD1 ILE 5 5.629 -10.003 -5.852 47 H VAL 6 H VAL 6 7.722 -4.391 -4.621 48 HA VAL 6 HA VAL 6 5.474 -4.062 -2.745 49 HB VAL 6 HB VAL 6 7.740 -3.394 -1.915 50 1HG1 VAL 6 1HG1 VAL 6 8.719 -1.328 -2.816 51 2HG1 VAL 6 2HG1 VAL 6 7.518 -1.334 -4.092 52 3HG1 VAL 6 3HG1 VAL 6 8.703 -2.633 -3.999 53 1HG2 VAL 6 1HG2 VAL 6 6.811 -0.801 -1.691 54 2HG2 VAL 6 2HG2 VAL 6 6.402 -2.140 -0.624 55 3HG2 VAL 6 3HG2 VAL 6 5.344 -1.737 -1.974 56 H TRP 7 H TRP 7 3.760 -2.834 -3.334 57 HA TRP 7 HA TRP 7 4.068 -1.136 -5.722 58 1HB TRP 7 1HB TRP 7 1.850 -2.996 -4.938 59 2HB TRP 7 2HB TRP 7 1.489 -1.572 -5.917 60 HD1 TRP 7 HD1 TRP 7 4.850 -2.986 -6.698 61 HE1 TRP 7 HE1 TRP 7 4.788 -4.255 -8.925 62 HE3 TRP 7 HE3 TRP 7 -0.208 -3.228 -7.340 63 HZ2 TRP 7 HZ2 TRP 7 2.850 -5.242 -10.719 64 HZ3 TRP 7 HZ3 TRP 7 -1.085 -4.356 -9.339 65 HH2 TRP 7 HH2 TRP 7 0.415 -5.350 -10.994 66 H VAL 8 H VAL 8 3.411 0.953 -5.555 67 HA VAL 8 HA VAL 8 2.116 1.736 -3.024 68 HB VAL 8 HB VAL 8 4.023 3.632 -4.278 69 1HG1 VAL 8 1HG1 VAL 8 2.718 3.223 -1.738 70 2HG1 VAL 8 2HG1 VAL 8 3.484 4.667 -2.396 71 3HG1 VAL 8 3HG1 VAL 8 4.452 3.466 -1.543 72 1HG2 VAL 8 1HG2 VAL 8 5.558 2.118 -2.445 73 2HG2 VAL 8 2HG2 VAL 8 5.834 2.339 -4.172 74 3HG2 VAL 8 3HG2 VAL 8 4.871 0.980 -3.603 75 H VAL 9 H VAL 9 0.534 3.226 -3.093 76 HA VAL 9 HA VAL 9 0.041 4.596 -5.659 77 HB VAL 9 HB VAL 9 -2.384 4.362 -4.094 78 1HG1 VAL 9 1HG1 VAL 9 -1.489 3.704 -6.866 79 2HG1 VAL 9 2HG1 VAL 9 -2.594 4.961 -6.334 80 3HG1 VAL 9 3HG1 VAL 9 -3.106 3.271 -6.326 81 1HG2 VAL 9 1HG2 VAL 9 -2.625 1.857 -4.778 82 2HG2 VAL 9 2HG2 VAL 9 -1.858 2.286 -3.258 83 3HG2 VAL 9 3HG2 VAL 9 -0.867 1.852 -4.641 84 H ASP 10 H ASP 10 0.664 6.625 -5.323 85 HA ASP 10 HA ASP 10 -0.747 8.488 -3.898 86 1HB ASP 10 1HB ASP 10 0.103 7.247 -1.867 87 2HB ASP 10 2HB ASP 10 1.725 7.761 -2.314 88 H ASP 11 H ASP 11 -0.304 10.228 -5.029 89 HA ASP 11 HA ASP 11 0.803 11.914 -6.076 90 1HB ASP 11 1HB ASP 11 2.457 11.409 -4.049 91 2HB ASP 11 2HB ASP 11 3.498 10.880 -5.368 92 H ASP 12 H ASP 12 2.381 8.754 -6.396 93 HA ASP 12 HA ASP 12 2.896 7.528 -8.225 94 1HB ASP 12 1HB ASP 12 0.800 8.414 -9.212 95 2HB ASP 12 2HB ASP 12 1.701 9.777 -9.860 96 H SER 13 H SER 13 3.392 10.119 -10.414 97 HA SER 13 HA SER 13 5.815 9.821 -11.263 98 1HB SER 13 1HB SER 13 6.153 12.315 -11.319 99 2HB SER 13 2HB SER 13 4.604 11.755 -11.949 100 HG SER 13 HG SER 13 3.592 12.642 -10.298 101 H SER 14 H SER 14 5.843 12.275 -8.771 102 HA SER 14 HA SER 14 8.502 12.029 -8.100 103 1HB SER 14 1HB SER 14 6.121 13.184 -6.723 104 2HB SER 14 2HB SER 14 7.615 13.016 -5.800 105 HG SER 14 HG SER 14 7.018 14.681 -7.936 106 H ILE 15 H ILE 15 5.741 10.496 -6.433 107 HA ILE 15 HA ILE 15 7.314 9.281 -4.444 108 HB ILE 15 HB ILE 15 4.529 8.694 -5.444 109 1HG1 ILE 15 1HG1 ILE 15 5.017 10.777 -4.142 110 2HG1 ILE 15 2HG1 ILE 15 3.853 9.707 -3.370 111 1HG2 ILE 15 1HG2 ILE 15 6.231 7.002 -3.795 112 2HG2 ILE 15 2HG2 ILE 15 4.680 6.647 -4.551 113 3HG2 ILE 15 3HG2 ILE 15 4.736 7.458 -2.986 114 1HD1 ILE 15 1HD1 ILE 15 5.755 10.826 -1.988 115 2HD1 ILE 15 2HD1 ILE 15 6.728 9.499 -2.624 116 3HD1 ILE 15 3HD1 ILE 15 5.284 9.158 -1.670 117 H ARG 16 H ARG 16 6.842 8.469 -7.736 118 HA ARG 16 HA ARG 16 7.363 5.679 -7.556 119 1HB ARG 16 1HB ARG 16 6.303 6.977 -9.504 120 2HB ARG 16 2HB ARG 16 7.951 7.384 -9.964 121 1HG ARG 16 1HG ARG 16 8.163 4.705 -9.674 122 2HG ARG 16 2HG ARG 16 6.490 4.850 -10.215 123 1HD ARG 16 1HD ARG 16 7.604 4.698 -12.224 124 2HD ARG 16 2HD ARG 16 7.510 6.446 -12.011 125 HE ARG 16 HE ARG 16 9.890 5.681 -10.860 126 1HH1 ARG 16 1HH1 ARG 16 8.447 5.466 -14.031 127 2HH1 ARG 16 2HH1 ARG 16 9.963 5.540 -14.863 128 1HH2 ARG 16 1HH2 ARG 16 11.886 5.768 -11.950 129 2HH2 ARG 16 2HH2 ARG 16 11.920 5.709 -13.682 130 H TRP 17 H TRP 17 9.423 8.311 -8.785 131 HA TRP 17 HA TRP 17 11.763 6.912 -9.109 132 1HB TRP 17 1HB TRP 17 11.346 9.245 -9.850 133 2HB TRP 17 2HB TRP 17 11.562 9.775 -8.184 134 HD1 TRP 17 HD1 TRP 17 13.616 7.929 -10.915 135 HE1 TRP 17 HE1 TRP 17 16.091 8.561 -10.595 136 HE3 TRP 17 HE3 TRP 17 13.173 10.818 -6.727 137 HZ2 TRP 17 HZ2 TRP 17 17.650 10.084 -8.797 138 HZ3 TRP 17 HZ3 TRP 17 15.203 11.828 -5.768 139 HH2 TRP 17 HH2 TRP 17 17.394 11.466 -6.782 140 H VAL 18 H VAL 18 10.672 8.548 -6.148 141 HA VAL 18 HA VAL 18 13.028 8.111 -4.692 142 HB VAL 18 HB VAL 18 10.469 8.204 -3.183 143 1HG1 VAL 18 1HG1 VAL 18 12.644 10.124 -2.692 144 2HG1 VAL 18 2HG1 VAL 18 13.065 8.426 -2.469 145 3HG1 VAL 18 3HG1 VAL 18 11.725 9.129 -1.562 146 1HG2 VAL 18 1HG2 VAL 18 9.674 9.885 -4.435 147 2HG2 VAL 18 2HG2 VAL 18 11.225 10.166 -5.226 148 3HG2 VAL 18 3HG2 VAL 18 10.908 10.854 -3.634 149 H LEU 19 H LEU 19 10.020 6.255 -4.659 150 HA LEU 19 HA LEU 19 11.186 4.314 -2.903 151 1HB LEU 19 1HB LEU 19 8.480 4.532 -4.166 152 2HB LEU 19 2HB LEU 19 8.962 3.145 -3.210 153 HG LEU 19 HG LEU 19 9.118 5.921 -2.095 154 1HD1 LEU 19 1HD1 LEU 19 6.931 5.543 -1.081 155 2HD1 LEU 19 2HD1 LEU 19 6.764 4.042 -1.993 156 3HD1 LEU 19 3HD1 LEU 19 6.828 5.585 -2.839 157 1HD2 LEU 19 1HD2 LEU 19 9.068 4.782 0.022 158 2HD2 LEU 19 2HD2 LEU 19 10.335 4.071 -0.978 159 3HD2 LEU 19 3HD2 LEU 19 8.797 3.232 -0.773 160 H GLU 20 H GLU 20 10.861 4.574 -6.332 161 HA GLU 20 HA GLU 20 10.914 1.813 -6.886 162 1HB GLU 20 1HB GLU 20 11.615 2.470 -9.148 163 2HB GLU 20 2HB GLU 20 10.206 3.340 -8.572 164 1HG GLU 20 1HG GLU 20 11.223 5.161 -9.276 165 2HG GLU 20 2HG GLU 20 12.268 4.991 -7.872 166 H ARG 21 H ARG 21 13.588 4.184 -7.082 167 HA ARG 21 HA ARG 21 15.581 2.230 -7.448 168 1HB ARG 21 1HB ARG 21 15.712 5.089 -6.508 169 2HB ARG 21 2HB ARG 21 17.152 4.096 -6.693 170 1HG ARG 21 1HG ARG 21 15.348 4.155 -9.007 171 2HG ARG 21 2HG ARG 21 16.144 5.679 -8.623 172 1HD ARG 21 1HD ARG 21 18.111 4.944 -9.378 173 2HD ARG 21 2HD ARG 21 17.968 3.422 -8.499 174 HE ARG 21 HE ARG 21 16.331 2.934 -10.503 175 1HH1 ARG 21 1HH1 ARG 21 19.477 4.459 -10.581 176 2HH1 ARG 21 2HH1 ARG 21 19.820 3.940 -12.196 177 1HH2 ARG 21 1HH2 ARG 21 16.788 2.252 -12.617 178 2HH2 ARG 21 2HH2 ARG 21 18.294 2.686 -13.354 179 H ALA 22 H ALA 22 15.015 4.214 -4.532 180 HA ALA 22 HA ALA 22 16.727 3.012 -2.805 181 1HB ALA 22 1HB ALA 22 15.255 4.982 -2.335 182 2HB ALA 22 2HB ALA 22 15.411 3.837 -1.003 183 3HB ALA 22 3HB ALA 22 13.955 3.840 -1.996 184 H LEU 23 H LEU 23 13.378 2.010 -3.268 185 HA LEU 23 HA LEU 23 13.514 -0.221 -1.570 186 1HB LEU 23 1HB LEU 23 11.452 0.954 -2.526 187 2HB LEU 23 2HB LEU 23 11.706 -0.024 -3.958 188 HG LEU 23 HG LEU 23 10.028 -0.770 -2.092 189 1HD1 LEU 23 1HD1 LEU 23 10.243 -3.026 -2.801 190 2HD1 LEU 23 2HD1 LEU 23 11.939 -2.791 -3.231 191 3HD1 LEU 23 3HD1 LEU 23 10.676 -2.003 -4.169 192 1HD2 LEU 23 1HD2 LEU 23 10.985 -2.303 -0.475 193 2HD2 LEU 23 2HD2 LEU 23 11.623 -0.674 -0.244 194 3HD2 LEU 23 3HD2 LEU 23 12.608 -1.904 -1.037 195 H ALA 24 H ALA 24 14.436 0.253 -4.877 196 HA ALA 24 HA ALA 24 14.595 -2.473 -5.625 197 1HB ALA 24 1HB ALA 24 16.252 -0.205 -6.726 198 2HB ALA 24 2HB ALA 24 14.592 -0.539 -7.220 199 3HB ALA 24 3HB ALA 24 15.857 -1.729 -7.520 200 H GLY 25 H GLY 25 16.731 -0.234 -3.975 201 1HA GLY 25 1HA GLY 25 19.088 -1.798 -4.095 202 2HA GLY 25 2HA GLY 25 18.736 -0.558 -2.897 203 H ALA 26 H ALA 26 16.213 -2.004 -2.171 204 HA ALA 26 HA ALA 26 17.343 -3.635 -0.117 205 1HB ALA 26 1HB ALA 26 15.514 -2.500 0.678 206 2HB ALA 26 2HB ALA 26 14.794 -4.065 0.301 207 3HB ALA 26 3HB ALA 26 14.597 -2.713 -0.815 208 H GLY 27 H GLY 27 16.308 -4.192 -3.306 209 1HA GLY 27 1HA GLY 27 16.754 -6.269 -4.377 210 2HA GLY 27 2HA GLY 27 16.498 -7.082 -2.843 211 H LEU 28 H LEU 28 14.177 -4.674 -3.875 212 HA LEU 28 HA LEU 28 12.414 -6.805 -4.807 213 1HB LEU 28 1HB LEU 28 11.133 -4.688 -3.213 214 2HB LEU 28 2HB LEU 28 10.764 -6.397 -3.313 215 HG LEU 28 HG LEU 28 13.079 -6.581 -2.013 216 1HD1 LEU 28 1HD1 LEU 28 13.811 -4.468 -1.668 217 2HD1 LEU 28 2HD1 LEU 28 12.784 -4.628 -0.244 218 3HD1 LEU 28 3HD1 LEU 28 12.188 -3.785 -1.670 219 1HD2 LEU 28 1HD2 LEU 28 10.853 -5.764 -0.261 220 2HD2 LEU 28 2HD2 LEU 28 11.816 -7.241 -0.257 221 3HD2 LEU 28 3HD2 LEU 28 10.500 -7.049 -1.415 222 H THR 29 H THR 29 10.281 -5.765 -5.680 223 HA THR 29 HA THR 29 11.112 -3.666 -7.556 224 HB THR 29 HB THR 29 8.971 -5.786 -7.665 225 HG1 THR 29 HG1 THR 29 11.246 -6.158 -8.298 226 1HG2 THR 29 1HG2 THR 29 8.843 -4.761 -10.126 227 2HG2 THR 29 2HG2 THR 29 9.138 -3.282 -9.211 228 3HG2 THR 29 3HG2 THR 29 7.747 -4.294 -8.825 229 H CYS 30 H CYS 30 10.452 -1.658 -7.144 230 HA CYS 30 HA CYS 30 7.901 -1.292 -5.719 231 1HB CYS 30 1HB CYS 30 10.034 -0.512 -4.568 232 2HB CYS 30 2HB CYS 30 10.105 0.746 -5.790 233 HG CYS 30 HG CYS 30 7.470 1.078 -4.667 234 H THR 31 H THR 31 6.356 -0.714 -6.957 235 HA THR 31 HA THR 31 6.881 1.206 -9.123 236 HB THR 31 HB THR 31 6.162 -1.206 -9.754 237 HG1 THR 31 HG1 THR 31 5.313 -0.364 -11.517 238 1HG2 THR 31 1HG2 THR 31 3.380 -0.329 -9.414 239 2HG2 THR 31 2HG2 THR 31 4.195 -0.946 -7.980 240 3HG2 THR 31 3HG2 THR 31 4.067 -1.947 -9.427 241 H THR 32 H THR 32 5.084 2.740 -9.496 242 HA THR 32 HA THR 32 3.302 2.962 -7.191 243 HB THR 32 HB THR 32 3.743 5.309 -6.917 244 HG1 THR 32 HG1 THR 32 4.704 6.437 -8.388 245 1HG2 THR 32 1HG2 THR 32 5.976 5.309 -6.101 246 2HG2 THR 32 2HG2 THR 32 6.406 3.938 -7.123 247 3HG2 THR 32 3HG2 THR 32 5.278 3.721 -5.785 248 H PHE 33 H PHE 33 1.417 4.146 -7.468 249 HA PHE 33 HA PHE 33 0.670 4.733 -10.244 250 1HB PHE 33 1HB PHE 33 -1.205 3.468 -8.267 251 2HB PHE 33 2HB PHE 33 -1.456 3.729 -9.976 252 HD1 PHE 33 HD1 PHE 33 -1.460 1.844 -11.228 253 HD2 PHE 33 HD2 PHE 33 1.121 2.019 -7.846 254 HE1 PHE 33 HE1 PHE 33 -0.711 -0.450 -11.689 255 HE2 PHE 33 HE2 PHE 33 1.878 -0.272 -8.304 256 HZ PHE 33 HZ PHE 33 0.955 -1.516 -10.227 257 H GLU 34 H GLU 34 -1.559 5.922 -10.231 258 HA GLU 34 HA GLU 34 -1.183 8.416 -9.077 259 1HB GLU 34 1HB GLU 34 -3.616 8.763 -9.742 260 2HB GLU 34 2HB GLU 34 -2.515 8.247 -11.012 261 1HG GLU 34 1HG GLU 34 -3.686 6.413 -11.410 262 2HG GLU 34 2HG GLU 34 -3.719 5.979 -9.702 263 H ASN 35 H ASN 35 -4.401 7.450 -8.346 264 HA ASN 35 HA ASN 35 -3.976 8.072 -5.587 265 1HB ASN 35 1HB ASN 35 -6.045 8.514 -7.355 266 2HB ASN 35 2HB ASN 35 -6.677 7.269 -6.281 267 1HD2 ASN 35 1HD2 ASN 35 -4.953 10.362 -6.208 268 2HD2 ASN 35 2HD2 ASN 35 -5.732 10.959 -4.787 269 H GLY 36 H GLY 36 -5.980 5.555 -7.026 270 1HA GLY 36 1HA GLY 36 -4.671 3.490 -5.490 271 2HA GLY 36 2HA GLY 36 -6.265 3.908 -4.902 272 H ASN 37 H ASN 37 -7.505 4.381 -7.422 273 HA ASN 37 HA ASN 37 -8.330 1.780 -8.033 274 1HB ASN 37 1HB ASN 37 -8.997 4.437 -8.888 275 2HB ASN 37 2HB ASN 37 -8.914 3.365 -10.282 276 1HD2 ASN 37 1HD2 ASN 37 -9.909 2.775 -6.931 277 2HD2 ASN 37 2HD2 ASN 37 -11.498 2.213 -7.317 278 H GLU 38 H GLU 38 -5.799 3.768 -9.369 279 HA GLU 38 HA GLU 38 -5.289 2.501 -11.774 280 1HB GLU 38 1HB GLU 38 -3.956 4.320 -10.099 281 2HB GLU 38 2HB GLU 38 -2.823 3.017 -10.391 282 1HG GLU 38 1HG GLU 38 -4.288 4.361 -12.626 283 2HG GLU 38 2HG GLU 38 -2.770 4.987 -11.984 284 H VAL 39 H VAL 39 -3.784 1.712 -8.599 285 HA VAL 39 HA VAL 39 -2.437 -0.576 -9.483 286 HB VAL 39 HB VAL 39 -3.619 -0.468 -6.727 287 1HG1 VAL 39 1HG1 VAL 39 -0.821 -1.221 -7.362 288 2HG1 VAL 39 2HG1 VAL 39 -2.105 -2.332 -7.835 289 3HG1 VAL 39 3HG1 VAL 39 -1.919 -1.865 -6.149 290 1HG2 VAL 39 1HG2 VAL 39 -1.239 1.071 -7.709 291 2HG2 VAL 39 2HG2 VAL 39 -1.695 0.870 -6.031 292 3HG2 VAL 39 3HG2 VAL 39 -2.748 1.754 -7.128 293 H LEU 40 H LEU 40 -5.666 -0.291 -8.033 294 HA LEU 40 HA LEU 40 -6.404 -2.911 -7.830 295 1HB LEU 40 1HB LEU 40 -8.199 -0.744 -8.915 296 2HB LEU 40 2HB LEU 40 -8.698 -2.202 -8.083 297 HG LEU 40 HG LEU 40 -7.249 0.156 -6.890 298 1HD1 LEU 40 1HD1 LEU 40 -9.396 0.839 -6.796 299 2HD1 LEU 40 2HD1 LEU 40 -9.431 -0.211 -5.384 300 3HD1 LEU 40 3HD1 LEU 40 -10.039 -0.796 -6.933 301 1HD2 LEU 40 1HD2 LEU 40 -6.298 -1.581 -5.705 302 2HD2 LEU 40 2HD2 LEU 40 -7.734 -2.597 -5.844 303 3HD2 LEU 40 3HD2 LEU 40 -7.729 -1.224 -4.738 304 H ALA 41 H ALA 41 -6.447 -0.916 -10.754 305 HA ALA 41 HA ALA 41 -7.612 -2.838 -12.452 306 1HB ALA 41 1HB ALA 41 -5.671 -0.805 -13.460 307 2HB ALA 41 2HB ALA 41 -7.235 -0.301 -12.822 308 3HB ALA 41 3HB ALA 41 -7.158 -1.394 -14.204 309 H ALA 42 H ALA 42 -4.252 -1.948 -11.904 310 HA ALA 42 HA ALA 42 -3.156 -3.921 -13.615 311 1HB ALA 42 1HB ALA 42 -2.168 -1.725 -12.289 312 2HB ALA 42 2HB ALA 42 -1.213 -2.899 -13.193 313 3HB ALA 42 3HB ALA 42 -1.398 -3.072 -11.448 314 H LEU 43 H LEU 43 -4.161 -3.911 -10.288 315 HA LEU 43 HA LEU 43 -2.762 -6.247 -9.475 316 1HB LEU 43 1HB LEU 43 -5.051 -4.669 -8.368 317 2HB LEU 43 2HB LEU 43 -4.618 -6.215 -7.658 318 HG LEU 43 HG LEU 43 -2.459 -4.208 -8.031 319 1HD1 LEU 43 1HD1 LEU 43 -3.009 -3.218 -5.845 320 2HD1 LEU 43 2HD1 LEU 43 -4.525 -4.090 -5.872 321 3HD1 LEU 43 3HD1 LEU 43 -4.217 -2.859 -7.078 322 1HD2 LEU 43 1HD2 LEU 43 -2.814 -5.730 -5.547 323 2HD2 LEU 43 2HD2 LEU 43 -1.376 -5.459 -6.527 324 3HD2 LEU 43 3HD2 LEU 43 -2.542 -6.696 -6.999 325 H ALA 44 H ALA 44 -5.622 -5.723 -11.288 326 HA ALA 44 HA ALA 44 -7.087 -8.025 -10.723 327 1HB ALA 44 1HB ALA 44 -8.232 -7.653 -12.772 328 2HB ALA 44 2HB ALA 44 -6.872 -6.750 -13.440 329 3HB ALA 44 3HB ALA 44 -7.820 -6.067 -12.120 330 H SER 45 H SER 45 -4.066 -7.689 -12.285 331 HA SER 45 HA SER 45 -4.202 -10.474 -13.144 332 1HB SER 45 1HB SER 45 -3.273 -8.075 -14.612 333 2HB SER 45 2HB SER 45 -2.325 -9.546 -14.817 334 HG SER 45 HG SER 45 -3.815 -10.124 -16.166 335 H LYS 46 H LYS 46 -2.947 -8.727 -10.775 336 HA LYS 46 HA LYS 46 -0.729 -10.507 -10.467 337 1HB LYS 46 1HB LYS 46 0.724 -9.162 -11.516 338 2HB LYS 46 2HB LYS 46 -0.318 -7.757 -11.392 339 1HG LYS 46 1HG LYS 46 0.812 -6.963 -9.640 340 2HG LYS 46 2HG LYS 46 0.876 -8.518 -8.842 341 1HD LYS 46 1HD LYS 46 2.654 -9.176 -10.463 342 2HD LYS 46 2HD LYS 46 2.697 -7.486 -10.982 343 1HE LYS 46 1HE LYS 46 3.893 -6.879 -9.194 344 2HE LYS 46 2HE LYS 46 2.830 -7.758 -8.095 345 1HZ LYS 46 1HZ LYS 46 4.016 -9.807 -8.725 346 2HZ LYS 46 2HZ LYS 46 5.024 -8.672 -7.973 347 3HZ LYS 46 3HZ LYS 46 5.090 -8.889 -9.651 348 H THR 47 H THR 47 0.430 -10.203 -8.435 349 HA THR 47 HA THR 47 -1.080 -8.769 -6.401 350 HB THR 47 HB THR 47 -0.327 -11.686 -6.222 351 HG1 THR 47 HG1 THR 47 -2.221 -11.730 -7.175 352 1HG2 THR 47 1HG2 THR 47 -1.106 -11.789 -4.040 353 2HG2 THR 47 2HG2 THR 47 -1.884 -10.210 -4.139 354 3HG2 THR 47 3HG2 THR 47 -0.124 -10.325 -4.062 355 HA PRO 48 HA PRO 48 3.264 -7.867 -5.506 356 1HB PRO 48 1HB PRO 48 2.801 -5.757 -3.881 357 2HB PRO 48 2HB PRO 48 2.697 -5.628 -5.641 358 1HG PRO 48 1HG PRO 48 0.505 -5.918 -3.627 359 2HG PRO 48 2HG PRO 48 0.571 -4.892 -5.073 360 1HD PRO 48 1HD PRO 48 -0.754 -7.272 -4.978 361 2HD PRO 48 2HD PRO 48 -0.060 -6.594 -6.459 362 H ASP 49 H ASP 49 4.535 -7.771 -3.482 363 HA ASP 49 HA ASP 49 3.486 -9.665 -1.571 364 1HB ASP 49 1HB ASP 49 6.161 -8.251 -1.681 365 2HB ASP 49 2HB ASP 49 5.742 -9.541 -0.557 366 H VAL 50 H VAL 50 4.022 -6.237 -1.774 367 HA VAL 50 HA VAL 50 2.654 -5.866 0.766 368 HB VAL 50 HB VAL 50 4.932 -5.900 1.523 369 1HG1 VAL 50 1HG1 VAL 50 5.632 -5.148 -0.971 370 2HG1 VAL 50 2HG1 VAL 50 6.712 -5.086 0.421 371 3HG1 VAL 50 3HG1 VAL 50 5.860 -3.637 -0.096 372 1HG2 VAL 50 1HG2 VAL 50 3.648 -3.204 1.366 373 2HG2 VAL 50 2HG2 VAL 50 5.237 -3.379 2.107 374 3HG2 VAL 50 3HG2 VAL 50 3.861 -4.269 2.755 375 H LEU 51 H LEU 51 0.962 -4.833 -0.175 376 HA LEU 51 HA LEU 51 1.387 -2.762 -2.151 377 1HB LEU 51 1HB LEU 51 -0.448 -4.388 -2.365 378 2HB LEU 51 2HB LEU 51 -1.159 -3.769 -0.888 379 HG LEU 51 HG LEU 51 -1.496 -1.581 -1.976 380 1HD1 LEU 51 1HD1 LEU 51 -0.309 -1.061 -3.775 381 2HD1 LEU 51 2HD1 LEU 51 -1.244 -2.250 -4.686 382 3HD1 LEU 51 3HD1 LEU 51 0.266 -2.726 -3.920 383 1HD2 LEU 51 1HD2 LEU 51 -3.437 -2.191 -3.078 384 2HD2 LEU 51 2HD2 LEU 51 -3.125 -3.623 -2.099 385 3HD2 LEU 51 3HD2 LEU 51 -2.704 -3.618 -3.812 386 H LEU 52 H LEU 52 0.995 -0.621 -1.954 387 HA LEU 52 HA LEU 52 0.337 0.438 0.722 388 1HB LEU 52 1HB LEU 52 2.444 1.321 -1.239 389 2HB LEU 52 2HB LEU 52 1.796 2.430 -0.050 390 HG LEU 52 HG LEU 52 2.862 -0.161 0.937 391 1HD1 LEU 52 1HD1 LEU 52 5.094 1.369 1.042 392 2HD1 LEU 52 2HD1 LEU 52 4.449 1.830 -0.534 393 3HD1 LEU 52 3HD1 LEU 52 4.792 0.137 -0.182 394 1HD2 LEU 52 1HD2 LEU 52 2.982 0.928 2.901 395 2HD2 LEU 52 2HD2 LEU 52 1.856 2.056 2.138 396 3HD2 LEU 52 3HD2 LEU 52 3.586 2.407 2.163 397 H SER 53 H SER 53 -1.623 1.427 0.583 398 HA SER 53 HA SER 53 -2.366 2.644 -1.986 399 1HB SER 53 1HB SER 53 -3.732 0.827 -0.343 400 2HB SER 53 2HB SER 53 -4.602 2.353 -0.201 401 HG SER 53 HG SER 53 -4.079 2.083 -2.748 402 H ASP 54 H ASP 54 -3.155 4.678 -2.181 403 HA ASP 54 HA ASP 54 -2.446 6.567 -0.167 404 1HB ASP 54 1HB ASP 54 -2.679 6.811 -2.821 405 2HB ASP 54 2HB ASP 54 -4.283 7.372 -2.366 406 H ILE 55 H ILE 55 -4.375 8.423 -0.044 407 HA ILE 55 HA ILE 55 -6.958 7.442 0.520 408 HB ILE 55 HB ILE 55 -6.014 6.425 2.406 409 1HG1 ILE 55 1HG1 ILE 55 -6.815 8.981 3.736 410 2HG1 ILE 55 2HG1 ILE 55 -8.012 8.115 2.788 411 1HG2 ILE 55 1HG2 ILE 55 -4.483 8.965 2.817 412 2HG2 ILE 55 2HG2 ILE 55 -3.855 7.356 2.455 413 3HG2 ILE 55 3HG2 ILE 55 -4.586 7.686 4.025 414 1HD1 ILE 55 1HD1 ILE 55 -8.411 6.806 4.519 415 2HD1 ILE 55 2HD1 ILE 55 -7.160 7.632 5.446 416 3HD1 ILE 55 3HD1 ILE 55 -6.745 6.231 4.462 417 H ARG 56 H ARG 56 -7.255 9.333 -0.887 418 HA ARG 56 HA ARG 56 -7.491 11.777 0.699 419 1HB ARG 56 1HB ARG 56 -5.339 11.560 -0.865 420 2HB ARG 56 2HB ARG 56 -6.481 12.139 -2.069 421 1HG ARG 56 1HG ARG 56 -6.951 13.857 -0.017 422 2HG ARG 56 2HG ARG 56 -5.224 13.546 0.167 423 1HD ARG 56 1HD ARG 56 -5.360 13.912 -2.499 424 2HD ARG 56 2HD ARG 56 -6.688 14.946 -1.979 425 HE ARG 56 HE ARG 56 -5.168 16.392 -1.043 426 1HH1 ARG 56 1HH1 ARG 56 -3.550 13.413 -1.877 427 2HH1 ARG 56 2HH1 ARG 56 -1.965 14.056 -1.614 428 1HH2 ARG 56 1HH2 ARG 56 -3.087 17.239 -0.699 429 2HH2 ARG 56 2HH2 ARG 56 -1.701 16.229 -0.945 430 H MET 57 H MET 57 -9.750 11.141 0.597 431 HA MET 57 HA MET 57 -11.863 11.111 -0.274 432 1HB MET 57 1HB MET 57 -12.510 13.222 -1.268 433 2HB MET 57 2HB MET 57 -11.373 13.499 0.044 434 1HG MET 57 1HG MET 57 -9.658 14.094 -1.395 435 2HG MET 57 2HG MET 57 -10.415 13.312 -2.780 436 1HE MET 57 1HE MET 57 -9.097 16.112 -1.886 437 2HE MET 57 2HE MET 57 -10.258 16.960 -0.865 438 3HE MET 57 3HE MET 57 -10.034 17.454 -2.543 439 HA PRO 58 HA PRO 58 -10.787 9.761 -4.646 440 1HB PRO 58 1HB PRO 58 -10.365 7.105 -4.299 441 2HB PRO 58 2HB PRO 58 -9.074 8.303 -4.209 442 1HG PRO 58 1HG PRO 58 -10.380 6.785 -2.045 443 2HG PRO 58 2HG PRO 58 -8.772 7.519 -2.095 444 1HD PRO 58 1HD PRO 58 -11.101 8.529 -0.828 445 2HD PRO 58 2HD PRO 58 -9.529 9.325 -0.995 446 H GLY 59 H GLY 59 -12.059 7.031 -2.775 447 1HA GLY 59 1HA GLY 59 -14.645 7.374 -4.153 448 2HA GLY 59 2HA GLY 59 -13.923 5.798 -3.850 449 H MET 60 H MET 60 -12.983 6.916 -1.178 450 HA MET 60 HA MET 60 -15.332 7.441 0.343 451 1HB MET 60 1HB MET 60 -15.194 4.840 -0.218 452 2HB MET 60 2HB MET 60 -14.086 4.857 1.147 453 1HG MET 60 1HG MET 60 -15.745 5.556 2.633 454 2HG MET 60 2HG MET 60 -16.814 6.080 1.332 455 1HE MET 60 1HE MET 60 -18.541 5.137 0.652 456 2HE MET 60 2HE MET 60 -19.236 3.592 1.144 457 3HE MET 60 3HE MET 60 -18.243 3.691 -0.311 458 H ASP 61 H ASP 61 -13.596 9.127 0.524 459 HA ASP 61 HA ASP 61 -12.230 10.311 1.898 460 1HB ASP 61 1HB ASP 61 -13.397 8.399 3.591 461 2HB ASP 61 2HB ASP 61 -11.679 8.393 3.974 462 H GLY 62 H GLY 62 -11.375 7.073 1.007 463 1HA GLY 62 1HA GLY 62 -9.089 7.214 -0.165 464 2HA GLY 62 2HA GLY 62 -8.542 7.650 1.437 465 H LEU 63 H LEU 63 -10.528 5.844 2.677 466 HA LEU 63 HA LEU 63 -8.896 3.501 2.680 467 1HB LEU 63 1HB LEU 63 -11.587 3.897 3.969 468 2HB LEU 63 2HB LEU 63 -10.451 2.609 4.321 469 HG LEU 63 HG LEU 63 -8.893 4.717 4.892 470 1HD1 LEU 63 1HD1 LEU 63 -10.125 6.459 5.962 471 2HD1 LEU 63 2HD1 LEU 63 -11.651 5.639 5.652 472 3HD1 LEU 63 3HD1 LEU 63 -10.719 6.299 4.312 473 1HD2 LEU 63 1HD2 LEU 63 -9.618 2.740 6.317 474 2HD2 LEU 63 2HD2 LEU 63 -10.929 3.769 6.882 475 3HD2 LEU 63 3HD2 LEU 63 -9.251 4.246 7.162 476 H ALA 64 H ALA 64 -11.571 4.628 0.892 477 HA ALA 64 HA ALA 64 -12.961 2.305 0.260 478 1HB ALA 64 1HB ALA 64 -12.922 4.930 -0.651 479 2HB ALA 64 2HB ALA 64 -14.029 3.657 -1.161 480 3HB ALA 64 3HB ALA 64 -12.557 3.967 -2.080 481 H LEU 65 H LEU 65 -9.771 3.309 -0.592 482 HA LEU 65 HA LEU 65 -9.345 1.716 -2.875 483 1HB LEU 65 1HB LEU 65 -7.526 2.831 -0.750 484 2HB LEU 65 2HB LEU 65 -6.905 1.813 -2.034 485 HG LEU 65 HG LEU 65 -7.573 3.418 -3.709 486 1HD1 LEU 65 1HD1 LEU 65 -9.498 4.484 -3.138 487 2HD1 LEU 65 2HD1 LEU 65 -8.342 5.720 -2.648 488 3HD1 LEU 65 3HD1 LEU 65 -9.039 4.644 -1.444 489 1HD2 LEU 65 1HD2 LEU 65 -6.310 5.119 -1.613 490 2HD2 LEU 65 2HD2 LEU 65 -5.904 4.954 -3.320 491 3HD2 LEU 65 3HD2 LEU 65 -5.466 3.681 -2.181 492 H LEU 66 H LEU 66 -9.002 1.149 0.587 493 HA LEU 66 HA LEU 66 -7.944 -1.460 0.444 494 1HB LEU 66 1HB LEU 66 -9.540 -0.068 2.589 495 2HB LEU 66 2HB LEU 66 -8.788 -1.640 2.800 496 HG LEU 66 HG LEU 66 -7.247 0.850 2.084 497 1HD1 LEU 66 1HD1 LEU 66 -6.531 0.865 4.443 498 2HD1 LEU 66 2HD1 LEU 66 -7.723 -0.375 4.786 499 3HD1 LEU 66 3HD1 LEU 66 -8.245 1.209 4.240 500 1HD2 LEU 66 1HD2 LEU 66 -5.573 -0.558 1.759 501 2HD2 LEU 66 2HD2 LEU 66 -6.601 -1.927 2.179 502 3HD2 LEU 66 3HD2 LEU 66 -5.702 -1.082 3.438 503 H LYS 67 H LYS 67 -11.225 -0.215 0.671 504 HA LYS 67 HA LYS 67 -12.682 -2.507 1.028 505 1HB LYS 67 1HB LYS 67 -13.418 -0.018 0.667 506 2HB LYS 67 2HB LYS 67 -13.593 -0.511 -1.013 507 1HG LYS 67 1HG LYS 67 -15.714 -0.833 -0.180 508 2HG LYS 67 2HG LYS 67 -15.012 -2.446 -0.038 509 1HD LYS 67 1HD LYS 67 -14.371 -1.775 2.337 510 2HD LYS 67 2HD LYS 67 -15.464 -0.407 2.123 511 1HE LYS 67 1HE LYS 67 -16.343 -3.230 1.605 512 2HE LYS 67 2HE LYS 67 -16.399 -2.524 3.220 513 1HZ LYS 67 1HZ LYS 67 -17.985 -1.862 0.845 514 2HZ LYS 67 2HZ LYS 67 -17.651 -0.630 1.955 515 3HZ LYS 67 3HZ LYS 67 -18.474 -2.019 2.457 516 H GLN 68 H GLN 68 -11.769 -1.121 -2.140 517 HA GLN 68 HA GLN 68 -12.718 -3.235 -3.714 518 1HB GLN 68 1HB GLN 68 -10.344 -1.482 -4.358 519 2HB GLN 68 2HB GLN 68 -11.365 -2.338 -5.502 520 1HG GLN 68 1HG GLN 68 -12.335 -0.128 -3.708 521 2HG GLN 68 2HG GLN 68 -11.782 0.110 -5.367 522 1HE2 GLN 68 1HE2 GLN 68 -13.997 0.992 -5.549 523 2HE2 GLN 68 2HE2 GLN 68 -15.277 -0.102 -5.936 524 H ILE 69 H ILE 69 -9.707 -2.809 -1.988 525 HA ILE 69 HA ILE 69 -8.172 -4.775 -3.234 526 HB ILE 69 HB ILE 69 -8.078 -3.776 -0.393 527 1HG1 ILE 69 1HG1 ILE 69 -6.316 -3.147 -2.750 528 2HG1 ILE 69 2HG1 ILE 69 -7.673 -2.161 -2.271 529 1HG2 ILE 69 1HG2 ILE 69 -6.702 -5.464 0.059 530 2HG2 ILE 69 2HG2 ILE 69 -5.557 -4.729 -1.063 531 3HG2 ILE 69 3HG2 ILE 69 -6.668 -5.977 -1.627 532 1HD1 ILE 69 1HD1 ILE 69 -5.020 -2.496 -1.012 533 2HD1 ILE 69 2HD1 ILE 69 -6.396 -2.141 0.029 534 3HD1 ILE 69 3HD1 ILE 69 -5.970 -1.037 -1.280 535 H LYS 70 H LYS 70 -10.302 -5.033 -0.441 536 HA LYS 70 HA LYS 70 -9.772 -7.764 0.032 537 1HB LYS 70 1HB LYS 70 -11.673 -7.733 1.524 538 2HB LYS 70 2HB LYS 70 -10.739 -6.261 1.734 539 1HG LYS 70 1HG LYS 70 -12.365 -4.930 0.812 540 2HG LYS 70 2HG LYS 70 -13.076 -6.252 -0.116 541 1HD LYS 70 1HD LYS 70 -13.270 -6.928 2.631 542 2HD LYS 70 2HD LYS 70 -13.819 -5.260 2.455 543 1HE LYS 70 1HE LYS 70 -14.786 -7.382 0.580 544 2HE LYS 70 2HE LYS 70 -15.517 -7.203 2.174 545 1HZ LYS 70 1HZ LYS 70 -15.224 -4.772 0.602 546 2HZ LYS 70 2HZ LYS 70 -16.489 -5.262 1.611 547 3HZ LYS 70 3HZ LYS 70 -16.367 -5.888 0.045 548 H GLN 71 H GLN 71 -11.890 -6.106 -2.127 549 HA GLN 71 HA GLN 71 -13.433 -8.458 -2.737 550 1HB GLN 71 1HB GLN 71 -13.446 -5.655 -3.834 551 2HB GLN 71 2HB GLN 71 -14.451 -6.937 -4.497 552 1HG GLN 71 1HG GLN 71 -15.772 -7.059 -2.605 553 2HG GLN 71 2HG GLN 71 -14.548 -6.313 -1.579 554 1HE2 GLN 71 1HE2 GLN 71 -14.136 -4.049 -1.872 555 2HE2 GLN 71 2HE2 GLN 71 -15.402 -3.005 -2.408 556 H ARG 72 H ARG 72 -10.876 -6.565 -4.160 557 HA ARG 72 HA ARG 72 -10.817 -8.196 -6.555 558 1HB ARG 72 1HB ARG 72 -9.536 -5.664 -5.691 559 2HB ARG 72 2HB ARG 72 -8.696 -6.628 -6.897 560 1HG ARG 72 1HG ARG 72 -11.469 -6.395 -7.590 561 2HG ARG 72 2HG ARG 72 -10.769 -4.799 -7.311 562 1HD ARG 72 1HD ARG 72 -9.302 -4.988 -9.052 563 2HD ARG 72 2HD ARG 72 -9.218 -6.742 -8.940 564 HE ARG 72 HE ARG 72 -11.466 -6.768 -9.974 565 1HH1 ARG 72 1HH1 ARG 72 -9.445 -3.941 -10.394 566 2HH1 ARG 72 2HH1 ARG 72 -10.216 -3.465 -11.867 567 1HH2 ARG 72 1HH2 ARG 72 -12.472 -6.130 -11.909 568 2HH2 ARG 72 2HH2 ARG 72 -11.929 -4.702 -12.726 569 H HIS 73 H HIS 73 -8.367 -7.221 -4.197 570 HA HIS 73 HA HIS 73 -6.726 -9.494 -4.920 571 1HB HIS 73 1HB HIS 73 -5.906 -7.938 -2.557 572 2HB HIS 73 2HB HIS 73 -4.976 -8.419 -3.968 573 HD1 HIS 73 HD1 HIS 73 -4.849 -5.586 -2.672 574 HD2 HIS 73 HD2 HIS 73 -7.130 -6.579 -5.974 575 HE1 HIS 73 HE1 HIS 73 -5.198 -3.438 -3.920 576 HE2 HIS 73 HE2 HIS 73 -6.474 -4.092 -5.983 577 HA PRO 74 HA PRO 74 -8.076 -11.925 -1.466 578 1HB PRO 74 1HB PRO 74 -6.474 -14.033 -1.848 579 2HB PRO 74 2HB PRO 74 -7.751 -13.621 -2.999 580 1HG PRO 74 1HG PRO 74 -4.828 -13.345 -3.268 581 2HG PRO 74 2HG PRO 74 -6.068 -13.456 -4.528 582 1HD PRO 74 1HD PRO 74 -4.784 -11.093 -3.474 583 2HD PRO 74 2HD PRO 74 -5.973 -11.210 -4.787 584 H MET 75 H MET 75 -7.512 -10.974 0.441 585 HA MET 75 HA MET 75 -6.373 -10.521 2.347 586 1HB MET 75 1HB MET 75 -5.286 -13.146 1.443 587 2HB MET 75 2HB MET 75 -4.661 -12.396 2.907 588 1HG MET 75 1HG MET 75 -7.303 -12.223 3.373 589 2HG MET 75 2HG MET 75 -7.258 -13.674 2.372 590 1HE MET 75 1HE MET 75 -4.466 -15.667 4.297 591 2HE MET 75 2HE MET 75 -4.868 -14.986 2.721 592 3HE MET 75 3HE MET 75 -5.946 -16.160 3.472 593 H LEU 76 H LEU 76 -5.248 -9.490 -0.256 594 HA LEU 76 HA LEU 76 -2.425 -9.520 -0.039 595 1HB LEU 76 1HB LEU 76 -3.558 -9.010 -2.143 596 2HB LEU 76 2HB LEU 76 -4.221 -7.544 -1.441 597 HG LEU 76 HG LEU 76 -1.696 -6.953 -1.038 598 1HD1 LEU 76 1HD1 LEU 76 -1.253 -9.369 -2.057 599 2HD1 LEU 76 2HD1 LEU 76 -0.135 -8.023 -2.272 600 3HD1 LEU 76 3HD1 LEU 76 -1.266 -8.442 -3.556 601 1HD2 LEU 76 1HD2 LEU 76 -1.646 -5.989 -3.380 602 2HD2 LEU 76 2HD2 LEU 76 -3.036 -5.563 -2.384 603 3HD2 LEU 76 3HD2 LEU 76 -3.196 -6.793 -3.635 604 HA PRO 77 HA PRO 77 -2.249 -6.772 3.527 605 1HB PRO 77 1HB PRO 77 0.633 -6.781 2.826 606 2HB PRO 77 2HB PRO 77 -0.154 -7.149 4.366 607 1HG PRO 77 1HG PRO 77 0.878 -9.093 2.863 608 2HG PRO 77 2HG PRO 77 -0.641 -9.329 3.746 609 1HD PRO 77 1HD PRO 77 -0.207 -8.772 0.837 610 2HD PRO 77 2HD PRO 77 -1.367 -9.873 1.613 611 H VAL 78 H VAL 78 -2.795 -4.723 3.309 612 HA VAL 78 HA VAL 78 -1.401 -3.077 1.310 613 HB VAL 78 HB VAL 78 -4.073 -2.262 2.357 614 1HG1 VAL 78 1HG1 VAL 78 -3.320 -1.998 -0.478 615 2HG1 VAL 78 2HG1 VAL 78 -2.329 -1.104 0.668 616 3HG1 VAL 78 3HG1 VAL 78 -4.067 -0.834 0.614 617 1HG2 VAL 78 1HG2 VAL 78 -5.313 -3.596 0.914 618 2HG2 VAL 78 2HG2 VAL 78 -4.109 -4.718 1.538 619 3HG2 VAL 78 3HG2 VAL 78 -3.910 -4.017 -0.067 620 H ILE 79 H ILE 79 -0.941 -0.927 1.836 621 HA ILE 79 HA ILE 79 -1.109 -0.241 4.686 622 HB ILE 79 HB ILE 79 1.265 0.295 2.930 623 1HG1 ILE 79 1HG1 ILE 79 1.987 -1.444 5.014 624 2HG1 ILE 79 2HG1 ILE 79 0.495 -2.091 4.338 625 1HG2 ILE 79 1HG2 ILE 79 2.202 1.409 4.660 626 2HG2 ILE 79 2HG2 ILE 79 1.434 0.383 5.871 627 3HG2 ILE 79 3HG2 ILE 79 0.514 1.672 5.098 628 1HD1 ILE 79 1HD1 ILE 79 1.699 -3.018 2.741 629 2HD1 ILE 79 2HD1 ILE 79 3.154 -2.182 3.284 630 3HD1 ILE 79 3HD1 ILE 79 2.063 -1.399 2.142 631 H ILE 80 H ILE 80 -2.160 1.615 4.936 632 HA ILE 80 HA ILE 80 -2.334 3.426 2.664 633 HB ILE 80 HB ILE 80 -3.849 3.645 5.257 634 1HG1 ILE 80 1HG1 ILE 80 -4.224 1.436 4.198 635 2HG1 ILE 80 2HG1 ILE 80 -5.667 2.440 4.183 636 1HG2 ILE 80 1HG2 ILE 80 -4.887 4.574 2.633 637 2HG2 ILE 80 2HG2 ILE 80 -3.630 5.526 3.414 638 3HG2 ILE 80 3HG2 ILE 80 -5.149 5.225 4.249 639 1HD1 ILE 80 1HD1 ILE 80 -4.450 1.149 2.022 640 2HD1 ILE 80 2HD1 ILE 80 -4.187 2.877 1.785 641 3HD1 ILE 80 3HD1 ILE 80 -5.823 2.255 1.993 642 H MET 81 H MET 81 -1.847 5.605 2.767 643 HA MET 81 HA MET 81 0.350 6.246 4.522 644 1HB MET 81 1HB MET 81 -0.266 8.573 3.116 645 2HB MET 81 2HB MET 81 0.977 7.400 2.724 646 1HG MET 81 1HG MET 81 -1.846 7.138 1.745 647 2HG MET 81 2HG MET 81 -0.622 8.066 0.883 648 1HE MET 81 1HE MET 81 1.970 6.630 1.216 649 2HE MET 81 2HE MET 81 1.455 6.956 -0.432 650 3HE MET 81 3HE MET 81 2.034 5.353 0.003 651 H THR 82 H THR 82 -3.036 6.833 4.574 652 HA THR 82 HA THR 82 -2.664 8.476 6.949 653 HB THR 82 HB THR 82 -4.569 9.429 4.826 654 HG1 THR 82 HG1 THR 82 -2.870 9.950 3.715 655 1HG2 THR 82 1HG2 THR 82 -3.899 10.300 7.459 656 2HG2 THR 82 2HG2 THR 82 -5.103 10.944 6.343 657 3HG2 THR 82 3HG2 THR 82 -3.443 11.539 6.291 658 H ALA 83 H ALA 83 -4.522 8.591 8.318 659 HA ALA 83 HA ALA 83 -6.706 6.743 7.636 660 1HB ALA 83 1HB ALA 83 -4.832 5.821 9.215 661 2HB ALA 83 2HB ALA 83 -6.535 5.489 9.536 662 3HB ALA 83 3HB ALA 83 -5.698 6.758 10.433 663 H HIS 84 H HIS 84 -5.858 9.792 8.546 664 HA HIS 84 HA HIS 84 -6.772 11.382 9.978 665 1HB HIS 84 1HB HIS 84 -9.185 11.820 8.821 666 2HB HIS 84 2HB HIS 84 -7.647 12.351 8.159 667 HD1 HIS 84 HD1 HIS 84 -9.283 8.915 7.979 668 HD2 HIS 84 HD2 HIS 84 -7.908 11.956 5.505 669 HE1 HIS 84 HE1 HIS 84 -9.545 8.053 5.632 670 HE2 HIS 84 HE2 HIS 84 -8.851 9.964 4.157 671 H SER 85 H SER 85 -9.988 10.131 9.346 672 HA SER 85 HA SER 85 -10.183 9.216 12.119 673 1HB SER 85 1HB SER 85 -11.599 11.537 10.910 674 2HB SER 85 2HB SER 85 -12.491 10.530 12.050 675 HG SER 85 HG SER 85 -10.312 10.872 13.289 676 H ASP 86 H ASP 86 -11.079 8.825 8.856 677 HA ASP 86 HA ASP 86 -13.527 7.399 9.336 678 1HB ASP 86 1HB ASP 86 -12.754 8.688 7.200 679 2HB ASP 86 2HB ASP 86 -11.951 7.176 6.798 680 H LEU 87 H LEU 87 -11.593 6.310 10.940 681 HA LEU 87 HA LEU 87 -10.105 4.179 10.045 682 1HB LEU 87 1HB LEU 87 -10.899 5.235 12.517 683 2HB LEU 87 2HB LEU 87 -11.357 3.544 12.565 684 HG LEU 87 HG LEU 87 -9.127 3.938 13.519 685 1HD1 LEU 87 1HD1 LEU 87 -9.858 1.982 11.661 686 2HD1 LEU 87 2HD1 LEU 87 -8.567 1.896 12.860 687 3HD1 LEU 87 3HD1 LEU 87 -8.216 2.461 11.227 688 1HD2 LEU 87 1HD2 LEU 87 -7.287 4.682 12.199 689 2HD2 LEU 87 2HD2 LEU 87 -8.582 5.865 12.022 690 3HD2 LEU 87 3HD2 LEU 87 -8.270 4.702 10.735 691 H ASP 88 H ASP 88 -13.528 4.423 10.215 692 HA ASP 88 HA ASP 88 -14.424 1.880 10.642 693 1HB ASP 88 1HB ASP 88 -15.392 3.962 8.687 694 2HB ASP 88 2HB ASP 88 -16.251 2.447 8.954 695 H ALA 89 H ALA 89 -13.553 3.172 7.415 696 HA ALA 89 HA ALA 89 -13.791 0.643 6.162 697 1HB ALA 89 1HB ALA 89 -12.633 3.264 5.321 698 2HB ALA 89 2HB ALA 89 -14.054 2.423 4.704 699 3HB ALA 89 3HB ALA 89 -12.439 1.827 4.314 700 H ALA 90 H ALA 90 -11.315 2.092 8.030 701 HA ALA 90 HA ALA 90 -9.084 0.703 6.933 702 1HB ALA 90 1HB ALA 90 -8.996 2.774 8.397 703 2HB ALA 90 2HB ALA 90 -7.841 1.498 8.779 704 3HB ALA 90 3HB ALA 90 -9.294 1.700 9.758 705 H VAL 91 H VAL 91 -11.385 0.033 9.523 706 HA VAL 91 HA VAL 91 -10.027 -2.174 10.597 707 HB VAL 91 HB VAL 91 -13.016 -1.995 10.644 708 1HG1 VAL 91 1HG1 VAL 91 -12.564 -3.824 11.880 709 2HG1 VAL 91 2HG1 VAL 91 -12.144 -2.655 13.133 710 3HG1 VAL 91 3HG1 VAL 91 -10.876 -3.362 12.126 711 1HG2 VAL 91 1HG2 VAL 91 -12.631 -0.592 12.751 712 2HG2 VAL 91 2HG2 VAL 91 -12.461 0.223 11.196 713 3HG2 VAL 91 3HG2 VAL 91 -11.026 -0.271 12.095 714 H SER 92 H SER 92 -12.465 -1.951 8.040 715 HA SER 92 HA SER 92 -12.809 -4.717 7.656 716 1HB SER 92 1HB SER 92 -13.010 -2.527 5.573 717 2HB SER 92 2HB SER 92 -13.723 -4.138 5.472 718 HG SER 92 HG SER 92 -15.378 -3.206 6.377 719 H ALA 93 H ALA 93 -10.209 -2.627 6.971 720 HA ALA 93 HA ALA 93 -9.055 -4.101 4.837 721 1HB ALA 93 1HB ALA 93 -7.644 -2.181 6.633 722 2HB ALA 93 2HB ALA 93 -8.721 -1.666 5.330 723 3HB ALA 93 3HB ALA 93 -7.265 -2.590 4.957 724 H TYR 94 H TYR 94 -8.213 -3.743 8.253 725 HA TYR 94 HA TYR 94 -6.068 -5.535 8.267 726 1HB TYR 94 1HB TYR 94 -7.869 -5.298 10.658 727 2HB TYR 94 2HB TYR 94 -6.120 -5.468 10.605 728 HD1 TYR 94 HD1 TYR 94 -4.942 -3.395 9.306 729 HD2 TYR 94 HD2 TYR 94 -8.679 -3.267 11.345 730 HE1 TYR 94 HE1 TYR 94 -4.692 -0.967 9.599 731 HE2 TYR 94 HE2 TYR 94 -8.435 -0.837 11.636 732 HH TYR 94 HH TYR 94 -6.323 1.021 9.941 733 H GLN 95 H GLN 95 -9.489 -6.045 8.511 734 HA GLN 95 HA GLN 95 -9.288 -8.803 9.257 735 1HB GLN 95 1HB GLN 95 -11.686 -8.878 9.003 736 2HB GLN 95 2HB GLN 95 -11.228 -7.406 9.849 737 1HG GLN 95 1HG GLN 95 -12.748 -6.555 8.404 738 2HG GLN 95 2HG GLN 95 -11.289 -6.399 7.434 739 1HE2 GLN 95 1HE2 GLN 95 -13.070 -6.302 5.768 740 2HE2 GLN 95 2HE2 GLN 95 -13.539 -7.804 5.051 741 H GLN 96 H GLN 96 -9.765 -7.074 6.202 742 HA GLN 96 HA GLN 96 -10.231 -9.452 4.710 743 1HB GLN 96 1HB GLN 96 -9.912 -8.014 2.712 744 2HB GLN 96 2HB GLN 96 -11.100 -7.384 3.843 745 1HG GLN 96 1HG GLN 96 -10.026 -5.454 3.715 746 2HG GLN 96 2HG GLN 96 -8.736 -6.209 4.640 747 1HE2 GLN 96 1HE2 GLN 96 -7.698 -4.367 3.318 748 2HE2 GLN 96 2HE2 GLN 96 -6.986 -4.846 1.821 749 H GLY 97 H GLY 97 -7.411 -7.947 5.940 750 1HA GLY 97 1HA GLY 97 -5.506 -9.620 5.813 751 2HA GLY 97 2HA GLY 97 -5.739 -9.515 4.078 752 H ALA 98 H ALA 98 -6.289 -6.469 5.277 753 HA ALA 98 HA ALA 98 -4.045 -5.341 4.090 754 1HB ALA 98 1HB ALA 98 -6.138 -4.133 4.623 755 2HB ALA 98 2HB ALA 98 -4.682 -3.265 5.106 756 3HB ALA 98 3HB ALA 98 -5.649 -4.105 6.317 757 H PHE 99 H PHE 99 -2.278 -4.118 5.093 758 HA PHE 99 HA PHE 99 -1.014 -5.689 7.148 759 1HB PHE 99 1HB PHE 99 0.258 -4.953 5.169 760 2HB PHE 99 2HB PHE 99 0.002 -3.278 5.641 761 HD1 PHE 99 HD1 PHE 99 1.553 -6.455 6.771 762 HD2 PHE 99 HD2 PHE 99 1.486 -2.209 7.082 763 HE1 PHE 99 HE1 PHE 99 3.610 -6.524 8.118 764 HE2 PHE 99 HE2 PHE 99 3.544 -2.272 8.429 765 HZ PHE 99 HZ PHE 99 4.609 -4.431 8.948 766 H ASP 100 H ASP 100 -1.767 -2.223 6.709 767 HA ASP 100 HA ASP 100 -2.813 -1.742 9.218 768 1HB ASP 100 1HB ASP 100 -0.239 -2.402 9.678 769 2HB ASP 100 2HB ASP 100 -0.037 -0.682 9.381 770 H TYR 101 H TYR 101 -1.842 0.759 9.874 771 HA TYR 101 HA TYR 101 -2.216 2.318 7.412 772 1HB TYR 101 1HB TYR 101 -3.792 2.327 9.904 773 2HB TYR 101 2HB TYR 101 -3.328 3.924 9.325 774 HD1 TYR 101 HD1 TYR 101 -5.031 0.779 8.290 775 HD2 TYR 101 HD2 TYR 101 -4.477 4.942 7.582 776 HE1 TYR 101 HE1 TYR 101 -6.890 0.758 6.673 777 HE2 TYR 101 HE2 TYR 101 -6.336 4.923 5.979 778 HH TYR 101 HH TYR 101 -7.455 3.216 4.498 779 H LEU 102 H LEU 102 -0.605 3.683 7.066 780 HA LEU 102 HA LEU 102 1.141 4.418 9.309 781 1HB LEU 102 1HB LEU 102 2.328 3.353 7.525 782 2HB LEU 102 2HB LEU 102 1.559 4.368 6.323 783 HG LEU 102 HG LEU 102 2.834 6.244 7.831 784 1HD1 LEU 102 1HD1 LEU 102 5.223 4.964 7.777 785 2HD1 LEU 102 2HD1 LEU 102 4.152 3.668 8.308 786 3HD1 LEU 102 3HD1 LEU 102 4.234 5.174 9.220 787 1HD2 LEU 102 1HD2 LEU 102 4.113 6.600 5.960 788 2HD2 LEU 102 2HD2 LEU 102 2.830 5.599 5.283 789 3HD2 LEU 102 3HD2 LEU 102 4.390 4.880 5.682 790 HA PRO 103 HA PRO 103 -0.462 8.543 9.388 791 1HB PRO 103 1HB PRO 103 1.899 9.884 9.959 792 2HB PRO 103 2HB PRO 103 0.854 9.120 11.154 793 1HG PRO 103 1HG PRO 103 3.342 8.072 9.872 794 2HG PRO 103 2HG PRO 103 2.809 7.944 11.559 795 1HD PRO 103 1HD PRO 103 2.569 5.878 9.883 796 2HD PRO 103 2HD PRO 103 1.306 6.230 11.082 797 H LYS 104 H LYS 104 -0.160 10.673 8.294 798 HA LYS 104 HA LYS 104 -0.073 10.515 5.605 799 1HB LYS 104 1HB LYS 104 -0.424 12.571 7.312 800 2HB LYS 104 2HB LYS 104 1.119 13.020 6.594 801 1HG LYS 104 1HG LYS 104 -1.476 12.503 5.158 802 2HG LYS 104 2HG LYS 104 -0.637 14.046 5.334 803 1HD LYS 104 1HD LYS 104 0.162 13.546 3.280 804 2HD LYS 104 2HD LYS 104 1.312 12.563 4.185 805 1HE LYS 104 1HE LYS 104 0.166 10.581 3.719 806 2HE LYS 104 2HE LYS 104 -1.321 11.430 3.302 807 1HZ LYS 104 1HZ LYS 104 -0.452 12.076 1.247 808 2HZ LYS 104 2HZ LYS 104 0.035 10.462 1.402 809 3HZ LYS 104 3HZ LYS 104 1.141 11.714 1.686 810 HA PRO 105 HA PRO 105 4.753 11.776 5.662 811 1HB PRO 105 1HB PRO 105 5.301 9.828 7.870 812 2HB PRO 105 2HB PRO 105 6.168 11.308 7.442 813 1HG PRO 105 1HG PRO 105 4.507 11.284 9.515 814 2HG PRO 105 2HG PRO 105 4.578 12.684 8.429 815 1HD PRO 105 1HD PRO 105 2.504 10.566 8.648 816 2HD PRO 105 2HD PRO 105 2.326 12.273 8.216 817 H PHE 106 H PHE 106 6.403 10.307 4.716 818 HA PHE 106 HA PHE 106 5.816 7.531 4.477 819 1HB PHE 106 1HB PHE 106 4.140 8.915 2.979 820 2HB PHE 106 2HB PHE 106 5.497 8.963 1.869 821 HD1 PHE 106 HD1 PHE 106 3.279 6.663 3.743 822 HD2 PHE 106 HD2 PHE 106 5.990 7.148 0.497 823 HE1 PHE 106 HE1 PHE 106 2.653 4.441 2.889 824 HE2 PHE 106 HE2 PHE 106 5.361 4.930 -0.359 825 HZ PHE 106 HZ PHE 106 3.697 3.580 0.826 826 H ASP 107 H ASP 107 7.052 9.302 1.700 827 HA ASP 107 HA ASP 107 9.061 9.082 0.641 828 1HB ASP 107 1HB ASP 107 10.915 10.059 1.857 829 2HB ASP 107 2HB ASP 107 9.442 10.936 2.256 830 H ILE 108 H ILE 108 11.506 8.174 1.183 831 HA ILE 108 HA ILE 108 11.116 5.381 1.298 832 HB ILE 108 HB ILE 108 13.405 7.171 0.910 833 1HG1 ILE 108 1HG1 ILE 108 13.684 5.953 -1.087 834 2HG1 ILE 108 2HG1 ILE 108 12.768 4.586 -0.466 835 1HG2 ILE 108 1HG2 ILE 108 14.095 4.302 1.299 836 2HG2 ILE 108 2HG2 ILE 108 14.049 5.369 2.700 837 3HG2 ILE 108 3HG2 ILE 108 15.131 5.723 1.359 838 1HD1 ILE 108 1HD1 ILE 108 11.772 7.212 -1.473 839 2HD1 ILE 108 2HD1 ILE 108 10.779 6.225 -0.411 840 3HD1 ILE 108 3HD1 ILE 108 11.313 5.591 -1.953 841 H ASP 109 H ASP 109 12.519 7.664 3.525 842 HA ASP 109 HA ASP 109 13.447 5.931 5.446 843 1HB ASP 109 1HB ASP 109 13.669 8.471 5.380 844 2HB ASP 109 2HB ASP 109 12.081 8.532 6.139 845 H GLU 110 H GLU 110 10.225 7.487 5.493 846 HA GLU 110 HA GLU 110 9.329 5.817 7.603 847 1HB GLU 110 1HB GLU 110 7.671 7.638 5.864 848 2HB GLU 110 2HB GLU 110 7.234 7.000 7.441 849 1HG GLU 110 1HG GLU 110 9.738 8.535 7.343 850 2HG GLU 110 2HG GLU 110 8.264 9.448 7.022 851 H ALA 111 H ALA 111 9.025 5.686 4.114 852 HA ALA 111 HA ALA 111 6.930 3.713 4.256 853 1HB ALA 111 1HB ALA 111 8.489 4.725 1.895 854 2HB ALA 111 2HB ALA 111 6.874 5.226 2.400 855 3HB ALA 111 3HB ALA 111 7.146 3.588 1.805 856 H VAL 112 H VAL 112 10.323 3.699 3.134 857 HA VAL 112 HA VAL 112 10.466 0.954 2.675 858 HB VAL 112 HB VAL 112 12.732 2.698 3.630 859 1HG1 VAL 112 1HG1 VAL 112 13.407 0.571 1.803 860 2HG1 VAL 112 2HG1 VAL 112 12.586 -0.061 3.234 861 3HG1 VAL 112 3HG1 VAL 112 14.048 0.917 3.408 862 1HG2 VAL 112 1HG2 VAL 112 12.264 3.803 1.719 863 2HG2 VAL 112 2HG2 VAL 112 11.350 2.463 1.036 864 3HG2 VAL 112 3HG2 VAL 112 13.111 2.447 0.974 865 H ALA 113 H ALA 113 10.721 2.829 5.572 866 HA ALA 113 HA ALA 113 11.826 0.943 7.321 867 1HB ALA 113 1HB ALA 113 10.657 3.514 7.484 868 2HB ALA 113 2HB ALA 113 11.594 2.667 8.716 869 3HB ALA 113 3HB ALA 113 9.839 2.491 8.662 870 H LEU 114 H LEU 114 8.461 1.773 6.672 871 HA LEU 114 HA LEU 114 7.400 -0.350 8.222 872 1HB LEU 114 1HB LEU 114 6.249 1.773 7.909 873 2HB LEU 114 2HB LEU 114 6.097 1.444 6.194 874 HG LEU 114 HG LEU 114 4.837 -0.716 7.084 875 1HD1 LEU 114 1HD1 LEU 114 3.443 0.658 9.057 876 2HD1 LEU 114 2HD1 LEU 114 5.142 0.933 9.438 877 3HD1 LEU 114 3HD1 LEU 114 4.529 -0.713 9.285 878 1HD2 LEU 114 1HD2 LEU 114 3.987 2.018 6.414 879 2HD2 LEU 114 2HD2 LEU 114 2.775 1.018 7.217 880 3HD2 LEU 114 3HD2 LEU 114 3.516 0.470 5.713 881 H VAL 115 H VAL 115 8.464 -0.179 4.932 882 HA VAL 115 HA VAL 115 6.758 -2.321 4.053 883 HB VAL 115 HB VAL 115 7.687 -0.552 2.498 884 1HG1 VAL 115 1HG1 VAL 115 10.151 -2.279 2.704 885 2HG1 VAL 115 2HG1 VAL 115 10.000 -0.602 3.206 886 3HG1 VAL 115 3HG1 VAL 115 9.886 -1.017 1.501 887 1HG2 VAL 115 1HG2 VAL 115 6.624 -2.192 1.327 888 2HG2 VAL 115 2HG2 VAL 115 7.614 -3.478 2.013 889 3HG2 VAL 115 3HG2 VAL 115 8.265 -2.451 0.736 890 H GLU 116 H GLU 116 10.168 -2.031 4.963 891 HA GLU 116 HA GLU 116 10.931 -4.658 4.373 892 1HB GLU 116 1HB GLU 116 11.972 -2.661 6.376 893 2HB GLU 116 2HB GLU 116 12.710 -4.242 6.157 894 1HG GLU 116 1HG GLU 116 12.761 -3.525 3.639 895 2HG GLU 116 2HG GLU 116 12.653 -1.903 4.319 896 H ARG 117 H ARG 117 9.839 -3.259 7.470 897 HA ARG 117 HA ARG 117 9.897 -5.646 8.929 898 1HB ARG 117 1HB ARG 117 8.408 -4.528 10.520 899 2HB ARG 117 2HB ARG 117 9.706 -3.461 10.003 900 1HG ARG 117 1HG ARG 117 8.142 -2.396 8.412 901 2HG ARG 117 2HG ARG 117 6.849 -3.410 9.056 902 1HD ARG 117 1HD ARG 117 8.162 -2.190 11.252 903 2HD ARG 117 2HD ARG 117 7.854 -0.933 10.056 904 HE ARG 117 HE ARG 117 5.483 -2.186 10.189 905 1HH1 ARG 117 1HH1 ARG 117 7.608 -0.948 12.673 906 2HH1 ARG 117 2HH1 ARG 117 6.317 -0.593 13.771 907 1HH2 ARG 117 1HH2 ARG 117 3.789 -1.710 11.635 908 2HH2 ARG 117 2HH2 ARG 117 4.153 -1.022 13.182 909 H ALA 118 H ALA 118 7.679 -4.496 6.565 910 HA ALA 118 HA ALA 118 5.474 -6.133 7.327 911 1HB ALA 118 1HB ALA 118 4.520 -4.606 6.010 912 2HB ALA 118 2HB ALA 118 5.118 -5.556 4.649 913 3HB ALA 118 3HB ALA 118 6.056 -4.189 5.252 914 H ILE 119 H ILE 119 7.854 -6.317 4.680 915 HA ILE 119 HA ILE 119 6.986 -8.871 3.802 916 HB ILE 119 HB ILE 119 9.670 -7.613 3.288 917 1HG1 ILE 119 1HG1 ILE 119 7.515 -7.309 1.288 918 2HG1 ILE 119 2HG1 ILE 119 7.343 -6.343 2.750 919 1HG2 ILE 119 1HG2 ILE 119 8.056 -9.704 1.857 920 2HG2 ILE 119 2HG2 ILE 119 9.670 -9.853 2.554 921 3HG2 ILE 119 3HG2 ILE 119 9.419 -8.863 1.116 922 1HD1 ILE 119 1HD1 ILE 119 8.581 -5.338 0.741 923 2HD1 ILE 119 2HD1 ILE 119 9.912 -6.382 1.239 924 3HD1 ILE 119 3HD1 ILE 119 9.289 -5.158 2.347 925 H SER 120 H SER 120 9.383 -7.740 6.047 926 HA SER 120 HA SER 120 10.851 -10.135 6.312 927 1HB SER 120 1HB SER 120 11.361 -7.687 7.153 928 2HB SER 120 2HB SER 120 10.556 -8.249 8.618 929 HG SER 120 HG SER 120 12.142 -9.663 8.971 930 H HIS 121 H HIS 121 7.928 -8.926 7.800 931 HA HIS 121 HA HIS 121 7.775 -10.858 9.874 932 1HB HIS 121 1HB HIS 121 5.785 -8.993 8.610 933 2HB HIS 121 2HB HIS 121 5.280 -10.174 9.815 934 HD1 HIS 121 HD1 HIS 121 8.605 -8.902 10.539 935 HD2 HIS 121 HD2 HIS 121 4.697 -7.724 11.314 936 HE1 HIS 121 HE1 HIS 121 8.767 -7.222 12.403 937 HE2 HIS 121 HE2 HIS 121 6.399 -6.458 12.795 938 H TYR 122 H TYR 122 6.940 -10.850 6.526 939 HA TYR 122 HA TYR 122 5.167 -13.078 6.613 940 1HB TYR 122 1HB TYR 122 5.928 -11.178 4.703 941 2HB TYR 122 2HB TYR 122 6.432 -12.729 4.042 942 HD1 TYR 122 HD1 TYR 122 4.399 -14.587 4.825 943 HD2 TYR 122 HD2 TYR 122 3.968 -10.509 3.686 944 HE1 TYR 122 HE1 TYR 122 2.087 -15.035 4.118 945 HE2 TYR 122 HE2 TYR 122 1.654 -10.947 2.977 946 HH TYR 122 HH TYR 122 0.412 -13.401 2.158 947 H GLN 123 H GLN 123 8.483 -12.711 5.357 948 HA GLN 123 HA GLN 123 8.857 -15.533 5.137 949 1HB GLN 123 1HB GLN 123 10.306 -13.126 4.396 950 2HB GLN 123 2HB GLN 123 11.373 -14.377 5.016 951 1HG GLN 123 1HG GLN 123 11.148 -15.639 3.192 952 2HG GLN 123 2HG GLN 123 9.408 -15.364 3.102 953 1HE2 GLN 123 1HE2 GLN 123 8.910 -12.966 2.518 954 2HE2 GLN 123 2HE2 GLN 123 9.774 -12.362 1.149 955 H GLU 124 H GLU 124 11.203 -16.241 6.069 956 HA GLU 124 HA GLU 124 11.315 -15.499 8.908 957 1HB GLU 124 1HB GLU 124 11.387 -18.343 7.887 958 2HB GLU 124 2HB GLU 124 11.514 -17.835 9.565 959 1HG GLU 124 1HG GLU 124 9.280 -17.309 9.718 960 2HG GLU 124 2HG GLU 124 9.107 -17.084 7.977 Start of MODEL 8 1 1H MET 1 1H MET 1 7.675 -19.889 -4.836 2 2H MET 1 2H MET 1 8.053 -18.227 -5.007 3 3H MET 1 3H MET 1 6.417 -18.729 -4.918 4 HA MET 1 HA MET 1 6.499 -19.165 -2.723 5 1HB MET 1 1HB MET 1 9.125 -20.041 -3.406 6 2HB MET 1 2HB MET 1 9.261 -18.948 -2.035 7 1HG MET 1 1HG MET 1 8.649 -20.583 -0.686 8 2HG MET 1 2HG MET 1 7.089 -20.661 -1.501 9 1HE MET 1 1HE MET 1 6.570 -22.113 -3.532 10 2HE MET 1 2HE MET 1 7.577 -23.421 -4.153 11 3HE MET 1 3HE MET 1 8.002 -21.744 -4.493 12 H GLN 2 H GLN 2 8.916 -16.976 -4.135 13 HA GLN 2 HA GLN 2 7.701 -14.764 -2.699 14 1HB GLN 2 1HB GLN 2 9.819 -15.910 -1.490 15 2HB GLN 2 2HB GLN 2 10.663 -14.798 -2.558 16 1HG GLN 2 1HG GLN 2 8.718 -13.207 -1.479 17 2HG GLN 2 2HG GLN 2 9.125 -14.276 -0.139 18 1HE2 GLN 2 1HE2 GLN 2 10.186 -11.707 -2.172 19 2HE2 GLN 2 2HE2 GLN 2 11.672 -11.381 -1.355 20 H ARG 3 H ARG 3 9.074 -12.683 -3.325 21 HA ARG 3 HA ARG 3 10.404 -12.623 -5.795 22 1HB ARG 3 1HB ARG 3 8.196 -13.228 -6.687 23 2HB ARG 3 2HB ARG 3 7.497 -11.818 -5.907 24 1HG ARG 3 1HG ARG 3 8.009 -10.543 -7.642 25 2HG ARG 3 2HG ARG 3 9.707 -11.009 -7.534 26 1HD ARG 3 1HD ARG 3 8.994 -13.159 -8.721 27 2HD ARG 3 2HD ARG 3 7.500 -12.309 -9.098 28 HE ARG 3 HE ARG 3 8.940 -10.622 -10.222 29 1HH1 ARG 3 1HH1 ARG 3 10.110 -13.893 -9.793 30 2HH1 ARG 3 2HH1 ARG 3 11.191 -13.808 -11.140 31 1HH2 ARG 3 1HH2 ARG 3 10.357 -10.525 -11.993 32 2HH2 ARG 3 2HH2 ARG 3 11.333 -11.901 -12.388 33 H GLY 4 H GLY 4 8.462 -10.982 -3.420 34 1HA GLY 4 1HA GLY 4 8.830 -8.990 -2.325 35 2HA GLY 4 2HA GLY 4 10.369 -8.876 -3.166 36 H ILE 5 H ILE 5 6.875 -8.485 -3.684 37 HA ILE 5 HA ILE 5 7.496 -6.424 -5.696 38 HB ILE 5 HB ILE 5 4.822 -7.745 -5.280 39 1HG1 ILE 5 1HG1 ILE 5 5.711 -8.842 -7.580 40 2HG1 ILE 5 2HG1 ILE 5 7.235 -8.702 -6.707 41 1HG2 ILE 5 1HG2 ILE 5 4.149 -6.192 -6.714 42 2HG2 ILE 5 2HG2 ILE 5 5.186 -6.932 -7.934 43 3HG2 ILE 5 3HG2 ILE 5 5.799 -5.613 -6.938 44 1HD1 ILE 5 1HD1 ILE 5 4.888 -9.910 -5.334 45 2HD1 ILE 5 2HD1 ILE 5 6.610 -10.212 -5.106 46 3HD1 ILE 5 3HD1 ILE 5 5.782 -10.858 -6.522 47 H VAL 6 H VAL 6 7.440 -4.438 -4.879 48 HA VAL 6 HA VAL 6 5.446 -3.833 -2.797 49 HB VAL 6 HB VAL 6 7.696 -3.408 -2.011 50 1HG1 VAL 6 1HG1 VAL 6 8.236 -1.246 -3.948 51 2HG1 VAL 6 2HG1 VAL 6 8.384 -2.894 -4.549 52 3HG1 VAL 6 3HG1 VAL 6 9.341 -2.377 -3.168 53 1HG2 VAL 6 1HG2 VAL 6 6.515 -0.719 -2.656 54 2HG2 VAL 6 2HG2 VAL 6 7.396 -1.213 -1.210 55 3HG2 VAL 6 3HG2 VAL 6 5.768 -1.824 -1.502 56 H TRP 7 H TRP 7 3.740 -2.734 -3.453 57 HA TRP 7 HA TRP 7 4.027 -1.000 -5.807 58 1HB TRP 7 1HB TRP 7 1.720 -2.624 -4.770 59 2HB TRP 7 2HB TRP 7 1.456 -1.283 -5.884 60 HD1 TRP 7 HD1 TRP 7 4.670 -2.930 -6.674 61 HE1 TRP 7 HE1 TRP 7 4.429 -4.461 -8.723 62 HE3 TRP 7 HE3 TRP 7 -0.425 -3.097 -6.960 63 HZ2 TRP 7 HZ2 TRP 7 2.347 -5.606 -10.251 64 HZ3 TRP 7 HZ3 TRP 7 -1.466 -4.433 -8.742 65 HH2 TRP 7 HH2 TRP 7 -0.106 -5.662 -10.353 66 H VAL 8 H VAL 8 3.374 1.110 -5.728 67 HA VAL 8 HA VAL 8 2.535 2.112 -3.081 68 HB VAL 8 HB VAL 8 4.067 3.976 -4.769 69 1HG1 VAL 8 1HG1 VAL 8 4.630 4.895 -2.787 70 2HG1 VAL 8 2HG1 VAL 8 4.852 3.333 -1.999 71 3HG1 VAL 8 3HG1 VAL 8 3.229 3.984 -2.227 72 1HG2 VAL 8 1HG2 VAL 8 5.134 1.331 -4.263 73 2HG2 VAL 8 2HG2 VAL 8 6.112 2.578 -3.509 74 3HG2 VAL 8 3HG2 VAL 8 5.791 2.644 -5.235 75 H VAL 9 H VAL 9 1.104 3.821 -2.993 76 HA VAL 9 HA VAL 9 0.095 4.839 -5.549 77 HB VAL 9 HB VAL 9 -2.065 4.651 -3.628 78 1HG1 VAL 9 1HG1 VAL 9 -2.372 3.108 -6.065 79 2HG1 VAL 9 2HG1 VAL 9 -1.680 4.700 -6.375 80 3HG1 VAL 9 3HG1 VAL 9 -3.198 4.551 -5.526 81 1HG2 VAL 9 1HG2 VAL 9 -1.473 2.638 -2.743 82 2HG2 VAL 9 2HG2 VAL 9 -0.491 2.182 -4.134 83 3HG2 VAL 9 3HG2 VAL 9 -2.245 2.063 -4.211 84 H ASP 10 H ASP 10 0.640 6.896 -5.502 85 HA ASP 10 HA ASP 10 -0.487 8.684 -3.570 86 1HB ASP 10 1HB ASP 10 1.807 7.694 -2.633 87 2HB ASP 10 2HB ASP 10 2.485 8.936 -3.683 88 H ASP 11 H ASP 11 1.440 10.795 -4.152 89 HA ASP 11 HA ASP 11 0.278 11.757 -6.529 90 1HB ASP 11 1HB ASP 11 2.485 12.694 -4.741 91 2HB ASP 11 2HB ASP 11 2.235 13.487 -6.293 92 H ASP 12 H ASP 12 2.586 9.402 -6.277 93 HA ASP 12 HA ASP 12 3.996 8.422 -7.760 94 1HB ASP 12 1HB ASP 12 1.882 9.498 -9.258 95 2HB ASP 12 2HB ASP 12 3.337 9.938 -10.141 96 H SER 13 H SER 13 5.125 9.752 -10.166 97 HA SER 13 HA SER 13 7.198 10.622 -10.562 98 1HB SER 13 1HB SER 13 5.354 12.354 -10.845 99 2HB SER 13 2HB SER 13 5.980 13.089 -9.373 100 HG SER 13 HG SER 13 7.952 13.395 -10.395 101 H SER 14 H SER 14 6.737 12.832 -7.892 102 HA SER 14 HA SER 14 9.323 12.597 -6.920 103 1HB SER 14 1HB SER 14 7.390 14.318 -6.388 104 2HB SER 14 2HB SER 14 7.106 13.246 -5.017 105 HG SER 14 HG SER 14 9.199 13.619 -4.324 106 H ILE 15 H ILE 15 6.363 11.175 -5.516 107 HA ILE 15 HA ILE 15 7.706 9.643 -3.578 108 HB ILE 15 HB ILE 15 5.033 8.935 -4.770 109 1HG1 ILE 15 1HG1 ILE 15 5.024 11.323 -4.190 110 2HG1 ILE 15 2HG1 ILE 15 4.014 10.401 -3.084 111 1HG2 ILE 15 1HG2 ILE 15 6.393 7.495 -3.042 112 2HG2 ILE 15 2HG2 ILE 15 4.647 7.695 -2.886 113 3HG2 ILE 15 3HG2 ILE 15 5.739 8.662 -1.893 114 1HD1 ILE 15 1HD1 ILE 15 6.032 12.194 -2.432 115 2HD1 ILE 15 2HD1 ILE 15 6.695 10.600 -2.074 116 3HD1 ILE 15 3HD1 ILE 15 5.173 11.107 -1.342 117 H ARG 16 H ARG 16 6.914 9.047 -6.907 118 HA ARG 16 HA ARG 16 7.354 6.235 -6.859 119 1HB ARG 16 1HB ARG 16 5.998 7.233 -8.605 120 2HB ARG 16 2HB ARG 16 7.359 8.200 -9.156 121 1HG ARG 16 1HG ARG 16 8.493 5.867 -9.501 122 2HG ARG 16 2HG ARG 16 6.829 5.290 -9.523 123 1HD ARG 16 1HD ARG 16 7.621 7.626 -11.208 124 2HD ARG 16 2HD ARG 16 7.993 5.990 -11.742 125 HE ARG 16 HE ARG 16 5.268 6.973 -11.188 126 1HH1 ARG 16 1HH1 ARG 16 7.472 4.929 -12.980 127 2HH1 ARG 16 2HH1 ARG 16 6.233 4.285 -13.999 128 1HH2 ARG 16 1HH2 ARG 16 3.649 6.121 -12.534 129 2HH2 ARG 16 2HH2 ARG 16 4.069 4.963 -13.751 130 H TRP 17 H TRP 17 9.354 8.924 -8.084 131 HA TRP 17 HA TRP 17 11.539 7.451 -8.903 132 1HB TRP 17 1HB TRP 17 11.202 9.878 -9.324 133 2HB TRP 17 2HB TRP 17 11.663 10.197 -7.653 134 HD1 TRP 17 HD1 TRP 17 13.158 8.883 -10.951 135 HE1 TRP 17 HE1 TRP 17 15.713 9.176 -10.857 136 HE3 TRP 17 HE3 TRP 17 13.614 10.493 -6.119 137 HZ2 TRP 17 HZ2 TRP 17 17.663 9.983 -8.983 138 HZ3 TRP 17 HZ3 TRP 17 15.859 11.003 -5.254 139 HH2 TRP 17 HH2 TRP 17 17.841 10.753 -6.657 140 H VAL 18 H VAL 18 10.850 8.675 -5.649 141 HA VAL 18 HA VAL 18 13.350 7.932 -4.579 142 HB VAL 18 HB VAL 18 10.887 8.119 -2.892 143 1HG1 VAL 18 1HG1 VAL 18 13.246 7.505 -2.055 144 2HG1 VAL 18 2HG1 VAL 18 12.337 8.738 -1.180 145 3HG1 VAL 18 3HG1 VAL 18 13.613 9.213 -2.300 146 1HG2 VAL 18 1HG2 VAL 18 11.991 10.664 -2.926 147 2HG2 VAL 18 2HG2 VAL 18 10.473 10.166 -3.670 148 3HG2 VAL 18 3HG2 VAL 18 11.957 10.186 -4.623 149 H LEU 19 H LEU 19 10.182 6.413 -4.166 150 HA LEU 19 HA LEU 19 11.281 4.171 -2.837 151 1HB LEU 19 1HB LEU 19 8.839 5.187 -2.834 152 2HB LEU 19 2HB LEU 19 8.591 3.998 -4.096 153 HG LEU 19 HG LEU 19 9.018 2.185 -2.611 154 1HD1 LEU 19 1HD1 LEU 19 10.914 3.436 -1.411 155 2HD1 LEU 19 2HD1 LEU 19 9.931 2.319 -0.470 156 3HD1 LEU 19 3HD1 LEU 19 9.646 4.054 -0.355 157 1HD2 LEU 19 1HD2 LEU 19 7.454 4.148 -0.956 158 2HD2 LEU 19 2HD2 LEU 19 7.257 2.399 -1.053 159 3HD2 LEU 19 3HD2 LEU 19 6.818 3.415 -2.424 160 H GLU 20 H GLU 20 10.808 4.866 -6.180 161 HA GLU 20 HA GLU 20 10.682 2.191 -7.065 162 1HB GLU 20 1HB GLU 20 11.044 2.985 -9.270 163 2HB GLU 20 2HB GLU 20 10.007 4.134 -8.455 164 1HG GLU 20 1HG GLU 20 11.894 5.634 -8.165 165 2HG GLU 20 2HG GLU 20 12.951 4.466 -8.949 166 H ARG 21 H ARG 21 13.406 4.452 -7.176 167 HA ARG 21 HA ARG 21 15.255 2.384 -7.811 168 1HB ARG 21 1HB ARG 21 15.673 5.245 -6.957 169 2HB ARG 21 2HB ARG 21 16.978 4.168 -7.433 170 1HG ARG 21 1HG ARG 21 14.805 4.302 -9.377 171 2HG ARG 21 2HG ARG 21 15.607 5.847 -9.097 172 1HD ARG 21 1HD ARG 21 16.851 3.251 -9.985 173 2HD ARG 21 2HD ARG 21 16.738 4.756 -10.891 174 HE ARG 21 HE ARG 21 18.525 4.234 -8.621 175 1HH1 ARG 21 1HH1 ARG 21 17.533 6.288 -11.271 176 2HH1 ARG 21 2HH1 ARG 21 18.958 7.265 -11.204 177 1HH2 ARG 21 1HH2 ARG 21 20.389 5.536 -8.530 178 2HH2 ARG 21 2HH2 ARG 21 20.575 6.842 -9.652 179 H ALA 22 H ALA 22 14.850 4.378 -4.867 180 HA ALA 22 HA ALA 22 16.821 3.199 -3.346 181 1HB ALA 22 1HB ALA 22 15.080 5.169 -2.875 182 2HB ALA 22 2HB ALA 22 16.012 4.387 -1.598 183 3HB ALA 22 3HB ALA 22 14.346 3.895 -1.900 184 H LEU 23 H LEU 23 13.407 2.309 -3.328 185 HA LEU 23 HA LEU 23 13.792 0.050 -1.680 186 1HB LEU 23 1HB LEU 23 11.628 1.270 -2.051 187 2HB LEU 23 2HB LEU 23 11.528 0.483 -3.608 188 HG LEU 23 HG LEU 23 11.254 -1.651 -2.638 189 1HD1 LEU 23 1HD1 LEU 23 12.645 -1.966 -0.868 190 2HD1 LEU 23 2HD1 LEU 23 11.171 -1.606 0.029 191 3HD1 LEU 23 3HD1 LEU 23 12.376 -0.343 -0.231 192 1HD2 LEU 23 1HD2 LEU 23 9.254 -1.388 -1.314 193 2HD2 LEU 23 2HD2 LEU 23 9.267 -0.215 -2.633 194 3HD2 LEU 23 3HD2 LEU 23 9.660 0.299 -0.990 195 H ALA 24 H ALA 24 14.306 0.589 -5.038 196 HA ALA 24 HA ALA 24 14.101 -2.125 -5.879 197 1HB ALA 24 1HB ALA 24 13.957 -0.483 -7.592 198 2HB ALA 24 2HB ALA 24 15.486 -1.326 -7.838 199 3HB ALA 24 3HB ALA 24 15.470 0.270 -7.090 200 H GLY 25 H GLY 25 16.592 -0.061 -4.523 201 1HA GLY 25 1HA GLY 25 18.814 -1.750 -4.956 202 2HA GLY 25 2HA GLY 25 18.680 -0.535 -3.689 203 H ALA 26 H ALA 26 16.200 -1.846 -2.667 204 HA ALA 26 HA ALA 26 17.490 -3.638 -0.852 205 1HB ALA 26 1HB ALA 26 15.773 -2.125 -0.047 206 2HB ALA 26 2HB ALA 26 15.282 -3.800 0.214 207 3HB ALA 26 3HB ALA 26 14.588 -2.873 -1.117 208 H GLY 27 H GLY 27 15.946 -3.964 -3.871 209 1HA GLY 27 1HA GLY 27 16.148 -6.004 -5.074 210 2HA GLY 27 2HA GLY 27 16.056 -6.874 -3.559 211 H LEU 28 H LEU 28 13.650 -4.375 -4.260 212 HA LEU 28 HA LEU 28 11.781 -6.559 -4.818 213 1HB LEU 28 1HB LEU 28 10.753 -4.094 -3.551 214 2HB LEU 28 2HB LEU 28 10.202 -5.749 -3.396 215 HG LEU 28 HG LEU 28 12.554 -5.981 -2.156 216 1HD1 LEU 28 1HD1 LEU 28 13.445 -3.907 -2.226 217 2HD1 LEU 28 2HD1 LEU 28 12.608 -3.874 -0.672 218 3HD1 LEU 28 3HD1 LEU 28 11.877 -3.124 -2.088 219 1HD2 LEU 28 1HD2 LEU 28 9.878 -5.936 -1.444 220 2HD2 LEU 28 2HD2 LEU 28 10.648 -4.806 -0.330 221 3HD2 LEU 28 3HD2 LEU 28 11.222 -6.470 -0.435 222 H THR 29 H THR 29 9.729 -5.870 -5.885 223 HA THR 29 HA THR 29 10.387 -4.169 -8.155 224 HB THR 29 HB THR 29 7.956 -5.894 -7.623 225 HG1 THR 29 HG1 THR 29 10.078 -6.917 -8.003 226 1HG2 THR 29 1HG2 THR 29 8.455 -3.939 -9.680 227 2HG2 THR 29 2HG2 THR 29 6.994 -4.863 -9.328 228 3HG2 THR 29 3HG2 THR 29 8.249 -5.555 -10.356 229 H CYS 30 H CYS 30 10.091 -2.075 -7.884 230 HA CYS 30 HA CYS 30 7.874 -1.116 -6.227 231 1HB CYS 30 1HB CYS 30 9.908 0.737 -7.326 232 2HB CYS 30 2HB CYS 30 9.129 0.734 -5.749 233 HG CYS 30 HG CYS 30 11.657 -0.885 -6.500 234 H THR 31 H THR 31 6.064 -0.555 -7.226 235 HA THR 31 HA THR 31 6.251 0.989 -9.713 236 HB THR 31 HB THR 31 5.558 -1.499 -10.083 237 HG1 THR 31 HG1 THR 31 5.208 0.346 -11.544 238 1HG2 THR 31 1HG2 THR 31 2.809 -0.600 -9.510 239 2HG2 THR 31 2HG2 THR 31 3.778 -1.185 -8.162 240 3HG2 THR 31 3HG2 THR 31 3.482 -2.226 -9.557 241 H THR 32 H THR 32 5.005 2.792 -9.663 242 HA THR 32 HA THR 32 3.312 3.136 -7.302 243 HB THR 32 HB THR 32 3.625 5.544 -7.600 244 HG1 THR 32 HG1 THR 32 4.861 4.704 -9.954 245 1HG2 THR 32 1HG2 THR 32 5.523 3.770 -6.709 246 2HG2 THR 32 2HG2 THR 32 5.524 5.517 -6.462 247 3HG2 THR 32 3HG2 THR 32 6.416 4.814 -7.810 248 H PHE 33 H PHE 33 1.473 4.604 -7.501 249 HA PHE 33 HA PHE 33 0.144 4.482 -10.104 250 1HB PHE 33 1HB PHE 33 -1.127 3.652 -7.502 251 2HB PHE 33 2HB PHE 33 -1.899 3.658 -9.076 252 HD1 PHE 33 HD1 PHE 33 1.087 2.261 -7.376 253 HD2 PHE 33 HD2 PHE 33 -1.973 1.672 -10.243 254 HE1 PHE 33 HE1 PHE 33 1.913 -0.013 -7.764 255 HE2 PHE 33 HE2 PHE 33 -1.171 -0.611 -10.644 256 HZ PHE 33 HZ PHE 33 0.768 -1.468 -9.402 257 H GLU 34 H GLU 34 -2.027 5.770 -9.952 258 HA GLU 34 HA GLU 34 -1.366 8.442 -9.517 259 1HB GLU 34 1HB GLU 34 -3.798 8.863 -9.905 260 2HB GLU 34 2HB GLU 34 -3.030 7.846 -11.119 261 1HG GLU 34 1HG GLU 34 -4.796 6.521 -10.810 262 2HG GLU 34 2HG GLU 34 -3.915 5.978 -9.385 263 H ASN 35 H ASN 35 -3.547 6.379 -7.516 264 HA ASN 35 HA ASN 35 -2.784 7.795 -5.179 265 1HB ASN 35 1HB ASN 35 -5.292 8.572 -6.551 266 2HB ASN 35 2HB ASN 35 -5.318 8.465 -4.794 267 1HD2 ASN 35 1HD2 ASN 35 -4.954 10.540 -7.238 268 2HD2 ASN 35 2HD2 ASN 35 -3.949 11.730 -6.491 269 H GLY 36 H GLY 36 -5.074 5.599 -6.675 270 1HA GLY 36 1HA GLY 36 -4.694 3.684 -4.611 271 2HA GLY 36 2HA GLY 36 -6.227 4.505 -4.392 272 H ASN 37 H ASN 37 -7.531 4.611 -6.556 273 HA ASN 37 HA ASN 37 -8.354 2.048 -7.150 274 1HB ASN 37 1HB ASN 37 -9.059 4.685 -7.938 275 2HB ASN 37 2HB ASN 37 -8.981 3.686 -9.386 276 1HD2 ASN 37 1HD2 ASN 37 -9.856 2.723 -6.107 277 2HD2 ASN 37 2HD2 ASN 37 -11.474 2.251 -6.485 278 H GLU 38 H GLU 38 -5.837 3.926 -8.694 279 HA GLU 38 HA GLU 38 -5.642 2.527 -11.091 280 1HB GLU 38 1HB GLU 38 -4.424 4.609 -10.503 281 2HB GLU 38 2HB GLU 38 -3.329 3.653 -9.527 282 1HG GLU 38 1HG GLU 38 -2.306 2.727 -11.358 283 2HG GLU 38 2HG GLU 38 -3.727 2.918 -12.379 284 H VAL 39 H VAL 39 -4.024 1.781 -7.945 285 HA VAL 39 HA VAL 39 -2.574 -0.431 -8.814 286 HB VAL 39 HB VAL 39 -3.987 -0.463 -6.168 287 1HG1 VAL 39 1HG1 VAL 39 -1.794 -1.892 -7.433 288 2HG1 VAL 39 2HG1 VAL 39 -2.753 -2.316 -6.015 289 3HG1 VAL 39 3HG1 VAL 39 -1.366 -1.240 -5.851 290 1HG2 VAL 39 1HG2 VAL 39 -2.239 1.575 -7.157 291 2HG2 VAL 39 2HG2 VAL 39 -1.460 0.706 -5.836 292 3HG2 VAL 39 3HG2 VAL 39 -3.042 1.448 -5.595 293 H LEU 40 H LEU 40 -5.966 -0.253 -7.869 294 HA LEU 40 HA LEU 40 -6.582 -2.956 -7.817 295 1HB LEU 40 1HB LEU 40 -8.368 -0.776 -8.892 296 2HB LEU 40 2HB LEU 40 -8.874 -2.315 -8.218 297 HG LEU 40 HG LEU 40 -7.603 -0.026 -6.718 298 1HD1 LEU 40 1HD1 LEU 40 -9.654 0.566 -6.052 299 2HD1 LEU 40 2HD1 LEU 40 -10.169 -1.106 -5.839 300 3HD1 LEU 40 3HD1 LEU 40 -10.218 -0.367 -7.438 301 1HD2 LEU 40 1HD2 LEU 40 -8.165 -2.858 -5.938 302 2HD2 LEU 40 2HD2 LEU 40 -8.225 -1.570 -4.736 303 3HD2 LEU 40 3HD2 LEU 40 -6.734 -1.874 -5.628 304 H ALA 41 H ALA 41 -6.440 -0.742 -10.569 305 HA ALA 41 HA ALA 41 -7.420 -2.469 -12.531 306 1HB ALA 41 1HB ALA 41 -6.424 -0.999 -14.142 307 2HB ALA 41 2HB ALA 41 -5.323 -0.349 -12.927 308 3HB ALA 41 3HB ALA 41 -7.052 -0.027 -12.813 309 H ALA 42 H ALA 42 -4.087 -1.807 -11.605 310 HA ALA 42 HA ALA 42 -2.959 -3.791 -13.293 311 1HB ALA 42 1HB ALA 42 -1.663 -1.853 -12.555 312 2HB ALA 42 2HB ALA 42 -0.872 -3.359 -12.091 313 3HB ALA 42 3HB ALA 42 -1.754 -2.422 -10.887 314 H LEU 43 H LEU 43 -4.232 -3.768 -10.065 315 HA LEU 43 HA LEU 43 -3.004 -6.124 -9.117 316 1HB LEU 43 1HB LEU 43 -5.309 -4.445 -8.289 317 2HB LEU 43 2HB LEU 43 -5.211 -6.074 -7.648 318 HG LEU 43 HG LEU 43 -2.966 -4.093 -7.395 319 1HD1 LEU 43 1HD1 LEU 43 -3.724 -3.732 -5.114 320 2HD1 LEU 43 2HD1 LEU 43 -5.109 -4.787 -5.389 321 3HD1 LEU 43 3HD1 LEU 43 -4.983 -3.256 -6.255 322 1HD2 LEU 43 1HD2 LEU 43 -2.554 -5.754 -5.442 323 2HD2 LEU 43 2HD2 LEU 43 -2.077 -6.199 -7.082 324 3HD2 LEU 43 3HD2 LEU 43 -3.575 -6.834 -6.393 325 H ALA 44 H ALA 44 -5.779 -5.537 -11.093 326 HA ALA 44 HA ALA 44 -7.218 -7.878 -10.760 327 1HB ALA 44 1HB ALA 44 -7.070 -5.764 -12.739 328 2HB ALA 44 2HB ALA 44 -8.466 -6.660 -12.142 329 3HB ALA 44 3HB ALA 44 -7.487 -7.323 -13.452 330 H SER 45 H SER 45 -4.102 -7.504 -12.136 331 HA SER 45 HA SER 45 -4.238 -10.235 -13.153 332 1HB SER 45 1HB SER 45 -3.313 -7.791 -14.461 333 2HB SER 45 2HB SER 45 -2.154 -9.117 -14.553 334 HG SER 45 HG SER 45 -3.544 -9.294 -16.282 335 H LYS 46 H LYS 46 -2.973 -8.418 -10.731 336 HA LYS 46 HA LYS 46 -1.042 -10.406 -10.075 337 1HB LYS 46 1HB LYS 46 0.004 -8.613 -11.747 338 2HB LYS 46 2HB LYS 46 0.219 -7.723 -10.245 339 1HG LYS 46 1HG LYS 46 1.111 -10.299 -9.682 340 2HG LYS 46 2HG LYS 46 1.720 -9.945 -11.299 341 1HD LYS 46 1HD LYS 46 2.116 -7.621 -9.741 342 2HD LYS 46 2HD LYS 46 2.655 -8.990 -8.767 343 1HE LYS 46 1HE LYS 46 4.555 -8.962 -9.921 344 2HE LYS 46 2HE LYS 46 3.637 -9.492 -11.329 345 1HZ LYS 46 1HZ LYS 46 4.579 -7.598 -12.134 346 2HZ LYS 46 2HZ LYS 46 4.598 -6.814 -10.635 347 3HZ LYS 46 3HZ LYS 46 3.153 -6.938 -11.506 348 H THR 47 H THR 47 0.064 -9.912 -7.978 349 HA THR 47 HA THR 47 -1.349 -7.951 -6.364 350 HB THR 47 HB THR 47 -1.039 -10.858 -5.614 351 HG1 THR 47 HG1 THR 47 -2.996 -11.056 -6.302 352 1HG2 THR 47 1HG2 THR 47 -2.375 -8.669 -4.044 353 2HG2 THR 47 2HG2 THR 47 -0.807 -9.380 -3.660 354 3HG2 THR 47 3HG2 THR 47 -2.263 -10.373 -3.607 355 HA PRO 48 HA PRO 48 2.987 -7.395 -5.239 356 1HB PRO 48 1HB PRO 48 2.612 -5.160 -3.735 357 2HB PRO 48 2HB PRO 48 2.695 -5.131 -5.500 358 1HG PRO 48 1HG PRO 48 0.301 -5.079 -3.714 359 2HG PRO 48 2HG PRO 48 0.614 -4.156 -5.193 360 1HD PRO 48 1HD PRO 48 -0.963 -6.360 -5.141 361 2HD PRO 48 2HD PRO 48 -0.015 -5.894 -6.563 362 H ASP 49 H ASP 49 4.195 -7.514 -3.255 363 HA ASP 49 HA ASP 49 2.850 -9.084 -1.253 364 1HB ASP 49 1HB ASP 49 5.696 -8.267 -1.731 365 2HB ASP 49 2HB ASP 49 5.225 -8.970 -0.187 366 H VAL 50 H VAL 50 3.858 -5.781 -1.594 367 HA VAL 50 HA VAL 50 2.642 -5.173 0.986 368 HB VAL 50 HB VAL 50 4.984 -5.462 1.565 369 1HG1 VAL 50 1HG1 VAL 50 6.739 -4.685 0.375 370 2HG1 VAL 50 2HG1 VAL 50 5.909 -3.199 -0.087 371 3HG1 VAL 50 3HG1 VAL 50 5.565 -4.703 -0.942 372 1HG2 VAL 50 1HG2 VAL 50 3.745 -2.769 1.629 373 2HG2 VAL 50 2HG2 VAL 50 5.435 -2.891 2.099 374 3HG2 VAL 50 3HG2 VAL 50 4.215 -3.831 2.954 375 H LEU 51 H LEU 51 1.012 -3.988 0.049 376 HA LEU 51 HA LEU 51 1.660 -1.981 -1.933 377 1HB LEU 51 1HB LEU 51 -0.389 -3.446 -2.041 378 2HB LEU 51 2HB LEU 51 -1.028 -2.529 -0.690 379 HG LEU 51 HG LEU 51 -1.043 -0.496 -2.028 380 1HD1 LEU 51 1HD1 LEU 51 -0.244 -0.317 -4.193 381 2HD1 LEU 51 2HD1 LEU 51 -0.253 -2.064 -4.449 382 3HD1 LEU 51 3HD1 LEU 51 0.974 -1.330 -3.421 383 1HD2 LEU 51 1HD2 LEU 51 -3.038 -1.033 -2.857 384 2HD2 LEU 51 2HD2 LEU 51 -2.700 -2.694 -2.373 385 3HD2 LEU 51 3HD2 LEU 51 -2.334 -2.164 -4.012 386 H LEU 52 H LEU 52 1.136 0.230 -1.763 387 HA LEU 52 HA LEU 52 0.843 1.286 0.970 388 1HB LEU 52 1HB LEU 52 3.239 1.236 -0.284 389 2HB LEU 52 2HB LEU 52 2.613 2.746 -0.907 390 HG LEU 52 HG LEU 52 2.925 2.091 2.022 391 1HD1 LEU 52 1HD1 LEU 52 4.662 3.550 0.058 392 2HD1 LEU 52 2HD1 LEU 52 5.105 2.296 1.217 393 3HD1 LEU 52 3HD1 LEU 52 4.713 3.920 1.781 394 1HD2 LEU 52 1HD2 LEU 52 1.463 3.768 2.251 395 2HD2 LEU 52 2HD2 LEU 52 1.601 4.243 0.558 396 3HD2 LEU 52 3HD2 LEU 52 2.785 4.815 1.735 397 H SER 53 H SER 53 -1.010 2.475 0.937 398 HA SER 53 HA SER 53 -1.613 3.991 -1.520 399 1HB SER 53 1HB SER 53 -3.218 2.150 -0.907 400 2HB SER 53 2HB SER 53 -3.625 3.077 0.536 401 HG SER 53 HG SER 53 -4.570 4.592 -0.679 402 H ASP 54 H ASP 54 -2.018 6.124 -1.433 403 HA ASP 54 HA ASP 54 -1.326 7.516 0.998 404 1HB ASP 54 1HB ASP 54 -0.521 8.234 -1.247 405 2HB ASP 54 2HB ASP 54 -2.174 8.675 -1.659 406 H ILE 55 H ILE 55 -4.141 6.168 0.155 407 HA ILE 55 HA ILE 55 -6.363 6.589 0.490 408 HB ILE 55 HB ILE 55 -5.736 6.090 2.718 409 1HG1 ILE 55 1HG1 ILE 55 -7.246 8.668 3.054 410 2HG1 ILE 55 2HG1 ILE 55 -7.994 7.248 2.340 411 1HG2 ILE 55 1HG2 ILE 55 -4.777 8.933 2.911 412 2HG2 ILE 55 2HG2 ILE 55 -3.804 7.463 2.978 413 3HG2 ILE 55 3HG2 ILE 55 -4.926 7.840 4.283 414 1HD1 ILE 55 1HD1 ILE 55 -7.324 7.831 5.128 415 2HD1 ILE 55 2HD1 ILE 55 -6.965 6.187 4.594 416 3HD1 ILE 55 3HD1 ILE 55 -8.601 6.826 4.446 417 H ARG 56 H ARG 56 -6.687 8.096 -1.266 418 HA ARG 56 HA ARG 56 -8.071 10.385 -0.584 419 1HB ARG 56 1HB ARG 56 -5.843 11.257 0.123 420 2HB ARG 56 2HB ARG 56 -5.289 11.087 -1.536 421 1HG ARG 56 1HG ARG 56 -6.967 12.695 -2.272 422 2HG ARG 56 2HG ARG 56 -7.552 12.848 -0.615 423 1HD ARG 56 1HD ARG 56 -6.127 14.569 -0.480 424 2HD ARG 56 2HD ARG 56 -4.892 13.332 -0.312 425 HE ARG 56 HE ARG 56 -4.298 13.645 -2.578 426 1HH1 ARG 56 1HH1 ARG 56 -6.778 15.860 -1.504 427 2HH1 ARG 56 2HH1 ARG 56 -6.534 16.960 -2.817 428 1HH2 ARG 56 1HH2 ARG 56 -3.984 15.098 -4.308 429 2HH2 ARG 56 2HH2 ARG 56 -4.955 16.530 -4.405 430 H MET 57 H MET 57 -8.940 8.705 -2.290 431 HA MET 57 HA MET 57 -9.012 10.122 -4.762 432 1HB MET 57 1HB MET 57 -6.915 8.914 -5.034 433 2HB MET 57 2HB MET 57 -7.741 7.387 -4.799 434 1HG MET 57 1HG MET 57 -7.376 7.722 -7.129 435 2HG MET 57 2HG MET 57 -9.101 7.876 -6.806 436 1HE MET 57 1HE MET 57 -10.255 10.862 -8.001 437 2HE MET 57 2HE MET 57 -10.302 9.102 -7.884 438 3HE MET 57 3HE MET 57 -9.593 9.873 -9.304 439 HA PRO 58 HA PRO 58 -11.926 6.232 -5.226 440 1HB PRO 58 1HB PRO 58 -12.206 4.775 -2.896 441 2HB PRO 58 2HB PRO 58 -11.171 4.312 -4.252 442 1HG PRO 58 1HG PRO 58 -10.452 5.730 -1.715 443 2HG PRO 58 2HG PRO 58 -9.588 4.421 -2.549 444 1HD PRO 58 1HD PRO 58 -8.754 6.937 -2.771 445 2HD PRO 58 2HD PRO 58 -8.742 5.859 -4.181 446 H GLY 59 H GLY 59 -14.086 5.653 -4.070 447 1HA GLY 59 1HA GLY 59 -15.468 7.975 -3.478 448 2HA GLY 59 2HA GLY 59 -16.007 6.364 -3.023 449 H MET 60 H MET 60 -14.711 5.473 -1.062 450 HA MET 60 HA MET 60 -15.203 7.242 1.126 451 1HB MET 60 1HB MET 60 -15.460 4.711 1.134 452 2HB MET 60 2HB MET 60 -13.707 4.622 1.229 453 1HG MET 60 1HG MET 60 -14.129 4.527 3.431 454 2HG MET 60 2HG MET 60 -14.154 6.281 3.268 455 1HE MET 60 1HE MET 60 -17.571 7.327 4.231 456 2HE MET 60 2HE MET 60 -16.458 7.669 2.906 457 3HE MET 60 3HE MET 60 -15.847 7.515 4.554 458 H ASP 61 H ASP 61 -13.561 8.724 -0.202 459 HA ASP 61 HA ASP 61 -11.629 9.901 -0.175 460 1HB ASP 61 1HB ASP 61 -12.012 8.922 2.517 461 2HB ASP 61 2HB ASP 61 -10.300 9.062 2.149 462 H GLY 62 H GLY 62 -10.355 7.140 1.623 463 1HA GLY 62 1HA GLY 62 -8.899 6.266 -0.768 464 2HA GLY 62 2HA GLY 62 -7.992 6.686 0.667 465 H LEU 63 H LEU 63 -10.028 5.592 2.500 466 HA LEU 63 HA LEU 63 -9.003 2.989 2.717 467 1HB LEU 63 1HB LEU 63 -11.680 3.678 3.868 468 2HB LEU 63 2HB LEU 63 -10.442 2.621 4.509 469 HG LEU 63 HG LEU 63 -9.113 4.937 4.665 470 1HD1 LEU 63 1HD1 LEU 63 -10.389 6.808 4.875 471 2HD1 LEU 63 2HD1 LEU 63 -11.800 5.915 5.440 472 3HD1 LEU 63 3HD1 LEU 63 -11.393 5.929 3.725 473 1HD2 LEU 63 1HD2 LEU 63 -10.880 4.829 6.926 474 2HD2 LEU 63 2HD2 LEU 63 -9.178 4.379 6.821 475 3HD2 LEU 63 3HD2 LEU 63 -10.432 3.196 6.442 476 H ALA 64 H ALA 64 -11.638 4.279 0.884 477 HA ALA 64 HA ALA 64 -13.229 2.032 0.517 478 1HB ALA 64 1HB ALA 64 -13.188 3.261 -1.972 479 2HB ALA 64 2HB ALA 64 -12.822 4.561 -0.836 480 3HB ALA 64 3HB ALA 64 -14.294 3.608 -0.642 481 H LEU 65 H LEU 65 -10.141 2.906 -0.881 482 HA LEU 65 HA LEU 65 -9.998 1.055 -2.964 483 1HB LEU 65 1HB LEU 65 -8.346 2.823 -2.669 484 2HB LEU 65 2HB LEU 65 -7.802 2.096 -1.169 485 HG LEU 65 HG LEU 65 -7.164 0.054 -2.552 486 1HD1 LEU 65 1HD1 LEU 65 -6.661 0.649 -4.959 487 2HD1 LEU 65 2HD1 LEU 65 -7.737 2.029 -4.741 488 3HD1 LEU 65 3HD1 LEU 65 -8.356 0.390 -4.555 489 1HD2 LEU 65 1HD2 LEU 65 -5.803 2.718 -2.756 490 2HD2 LEU 65 2HD2 LEU 65 -5.100 1.268 -3.472 491 3HD2 LEU 65 3HD2 LEU 65 -5.397 1.338 -1.736 492 H LEU 66 H LEU 66 -9.423 0.740 0.477 493 HA LEU 66 HA LEU 66 -8.305 -1.851 0.457 494 1HB LEU 66 1HB LEU 66 -9.728 -0.216 2.536 495 2HB LEU 66 2HB LEU 66 -9.290 -1.878 2.861 496 HG LEU 66 HG LEU 66 -7.589 -0.514 3.800 497 1HD1 LEU 66 1HD1 LEU 66 -5.668 -1.402 2.814 498 2HD1 LEU 66 2HD1 LEU 66 -6.380 -1.390 1.200 499 3HD1 LEU 66 3HD1 LEU 66 -6.941 -2.550 2.404 500 1HD2 LEU 66 1HD2 LEU 66 -7.235 1.534 3.021 501 2HD2 LEU 66 2HD2 LEU 66 -8.119 1.170 1.542 502 3HD2 LEU 66 3HD2 LEU 66 -6.393 0.829 1.641 503 H LYS 67 H LYS 67 -11.613 -0.656 0.799 504 HA LYS 67 HA LYS 67 -12.919 -3.074 1.258 505 1HB LYS 67 1HB LYS 67 -13.761 -0.556 1.153 506 2HB LYS 67 2HB LYS 67 -14.231 -1.036 -0.474 507 1HG LYS 67 1HG LYS 67 -15.393 -3.022 0.665 508 2HG LYS 67 2HG LYS 67 -15.200 -2.098 2.156 509 1HD LYS 67 1HD LYS 67 -17.178 -1.198 1.596 510 2HD LYS 67 2HD LYS 67 -16.228 -0.214 0.481 511 1HE LYS 67 1HE LYS 67 -16.650 -2.555 -0.919 512 2HE LYS 67 2HE LYS 67 -18.171 -2.313 -0.064 513 1HZ LYS 67 1HZ LYS 67 -16.924 -0.672 -2.142 514 2HZ LYS 67 2HZ LYS 67 -17.846 0.116 -0.964 515 3HZ LYS 67 3HZ LYS 67 -18.550 -1.085 -1.925 516 H GLN 68 H GLN 68 -12.039 -1.504 -1.784 517 HA GLN 68 HA GLN 68 -13.312 -3.359 -3.492 518 1HB GLN 68 1HB GLN 68 -10.823 -1.791 -4.157 519 2HB GLN 68 2HB GLN 68 -12.051 -2.377 -5.269 520 1HG GLN 68 1HG GLN 68 -12.634 -0.340 -3.144 521 2HG GLN 68 2HG GLN 68 -12.065 0.094 -4.753 522 1HE2 GLN 68 1HE2 GLN 68 -13.377 -0.577 -6.567 523 2HE2 GLN 68 2HE2 GLN 68 -15.090 -0.694 -6.377 524 H ILE 69 H ILE 69 -10.135 -3.246 -2.011 525 HA ILE 69 HA ILE 69 -8.912 -5.299 -3.454 526 HB ILE 69 HB ILE 69 -8.411 -4.388 -0.628 527 1HG1 ILE 69 1HG1 ILE 69 -6.759 -3.765 -3.065 528 2HG1 ILE 69 2HG1 ILE 69 -8.159 -2.788 -2.642 529 1HG2 ILE 69 1HG2 ILE 69 -7.358 -6.646 -2.011 530 2HG2 ILE 69 2HG2 ILE 69 -6.962 -6.054 -0.398 531 3HG2 ILE 69 3HG2 ILE 69 -6.072 -5.460 -1.800 532 1HD1 ILE 69 1HD1 ILE 69 -5.492 -2.771 -1.546 533 2HD1 ILE 69 2HD1 ILE 69 -6.711 -2.963 -0.287 534 3HD1 ILE 69 3HD1 ILE 69 -6.786 -1.585 -1.386 535 H LYS 70 H LYS 70 -10.883 -5.416 -0.559 536 HA LYS 70 HA LYS 70 -10.473 -8.188 -0.081 537 1HB LYS 70 1HB LYS 70 -12.169 -8.001 1.611 538 2HB LYS 70 2HB LYS 70 -11.172 -6.553 1.669 539 1HG LYS 70 1HG LYS 70 -13.125 -5.476 1.711 540 2HG LYS 70 2HG LYS 70 -13.116 -5.765 -0.026 541 1HD LYS 70 1HD LYS 70 -14.624 -7.519 0.123 542 2HD LYS 70 2HD LYS 70 -14.280 -7.799 1.831 543 1HE LYS 70 1HE LYS 70 -15.543 -5.947 2.506 544 2HE LYS 70 2HE LYS 70 -15.528 -5.237 0.892 545 1HZ LYS 70 1HZ LYS 70 -17.527 -6.753 1.980 546 2HZ LYS 70 2HZ LYS 70 -16.757 -7.815 0.912 547 3HZ LYS 70 3HZ LYS 70 -17.361 -6.340 0.347 548 H GLN 71 H GLN 71 -12.674 -6.355 -2.009 549 HA GLN 71 HA GLN 71 -14.547 -8.478 -2.381 550 1HB GLN 71 1HB GLN 71 -14.210 -5.736 -3.522 551 2HB GLN 71 2HB GLN 71 -15.311 -6.869 -4.294 552 1HG GLN 71 1HG GLN 71 -16.751 -6.907 -2.489 553 2HG GLN 71 2HG GLN 71 -15.515 -6.351 -1.360 554 1HE2 GLN 71 1HE2 GLN 71 -14.543 -4.138 -2.335 555 2HE2 GLN 71 2HE2 GLN 71 -15.753 -2.934 -2.594 556 H ARG 72 H ARG 72 -11.900 -7.104 -4.201 557 HA ARG 72 HA ARG 72 -12.300 -9.038 -6.344 558 1HB ARG 72 1HB ARG 72 -10.631 -6.562 -6.084 559 2HB ARG 72 2HB ARG 72 -10.348 -7.713 -7.382 560 1HG ARG 72 1HG ARG 72 -11.859 -6.570 -8.542 561 2HG ARG 72 2HG ARG 72 -13.071 -7.299 -7.488 562 1HD ARG 72 1HD ARG 72 -12.232 -5.224 -5.959 563 2HD ARG 72 2HD ARG 72 -12.040 -4.546 -7.573 564 HE ARG 72 HE ARG 72 -14.477 -4.977 -6.199 565 1HH1 ARG 72 1HH1 ARG 72 -13.060 -5.143 -9.384 566 2HH1 ARG 72 2HH1 ARG 72 -14.557 -4.843 -10.201 567 1HH2 ARG 72 1HH2 ARG 72 -16.445 -4.579 -7.272 568 2HH2 ARG 72 2HH2 ARG 72 -16.479 -4.520 -9.002 569 H HIS 73 H HIS 73 -9.523 -7.835 -4.530 570 HA HIS 73 HA HIS 73 -8.011 -10.223 -5.105 571 1HB HIS 73 1HB HIS 73 -7.094 -8.160 -3.143 572 2HB HIS 73 2HB HIS 73 -6.158 -9.075 -4.321 573 HD1 HIS 73 HD1 HIS 73 -7.378 -8.410 -6.931 574 HD2 HIS 73 HD2 HIS 73 -6.999 -5.578 -3.922 575 HE1 HIS 73 HE1 HIS 73 -7.501 -6.183 -8.088 576 HE2 HIS 73 HE2 HIS 73 -7.108 -4.491 -6.266 577 HA PRO 74 HA PRO 74 -8.847 -12.580 -1.509 578 1HB PRO 74 1HB PRO 74 -6.391 -13.624 -0.910 579 2HB PRO 74 2HB PRO 74 -7.414 -14.197 -2.228 580 1HG PRO 74 1HG PRO 74 -5.043 -12.393 -2.316 581 2HG PRO 74 2HG PRO 74 -5.547 -13.645 -3.461 582 1HD PRO 74 1HD PRO 74 -5.930 -10.980 -3.880 583 2HD PRO 74 2HD PRO 74 -6.978 -12.237 -4.562 584 H MET 75 H MET 75 -5.533 -11.607 -0.677 585 HA MET 75 HA MET 75 -6.541 -9.933 1.474 586 1HB MET 75 1HB MET 75 -4.909 -12.428 1.885 587 2HB MET 75 2HB MET 75 -4.932 -11.130 3.070 588 1HG MET 75 1HG MET 75 -7.161 -11.480 3.601 589 2HG MET 75 2HG MET 75 -7.483 -12.350 2.103 590 1HE MET 75 1HE MET 75 -5.582 -14.237 1.591 591 2HE MET 75 2HE MET 75 -6.966 -15.263 1.969 592 3HE MET 75 3HE MET 75 -5.394 -15.597 2.698 593 H LEU 76 H LEU 76 -5.427 -8.786 -0.554 594 HA LEU 76 HA LEU 76 -2.609 -8.666 -0.591 595 1HB LEU 76 1HB LEU 76 -3.685 -7.941 -2.537 596 2HB LEU 76 2HB LEU 76 -4.785 -6.900 -1.656 597 HG LEU 76 HG LEU 76 -2.782 -5.455 -1.097 598 1HD1 LEU 76 1HD1 LEU 76 -0.750 -6.136 -1.656 599 2HD1 LEU 76 2HD1 LEU 76 -1.224 -6.209 -3.351 600 3HD1 LEU 76 3HD1 LEU 76 -1.438 -7.620 -2.318 601 1HD2 LEU 76 1HD2 LEU 76 -4.363 -4.747 -2.749 602 2HD2 LEU 76 2HD2 LEU 76 -3.657 -5.822 -3.954 603 3HD2 LEU 76 3HD2 LEU 76 -2.740 -4.430 -3.368 604 HA PRO 77 HA PRO 77 -2.264 -6.275 3.231 605 1HB PRO 77 1HB PRO 77 0.456 -6.211 3.260 606 2HB PRO 77 2HB PRO 77 -0.480 -7.603 3.817 607 1HG PRO 77 1HG PRO 77 0.875 -7.160 1.187 608 2HG PRO 77 2HG PRO 77 0.828 -8.622 2.189 609 1HD PRO 77 1HD PRO 77 -0.745 -8.310 0.016 610 2HD PRO 77 2HD PRO 77 -1.279 -9.213 1.449 611 H VAL 78 H VAL 78 -2.676 -4.162 3.113 612 HA VAL 78 HA VAL 78 -1.018 -2.523 1.307 613 HB VAL 78 HB VAL 78 -3.823 -1.828 2.152 614 1HG1 VAL 78 1HG1 VAL 78 -3.658 -0.377 0.106 615 2HG1 VAL 78 2HG1 VAL 78 -1.942 -0.780 0.050 616 3HG1 VAL 78 3HG1 VAL 78 -2.601 0.078 1.443 617 1HG2 VAL 78 1HG2 VAL 78 -4.749 -2.900 0.368 618 2HG2 VAL 78 2HG2 VAL 78 -3.414 -4.004 0.693 619 3HG2 VAL 78 3HG2 VAL 78 -3.275 -2.809 -0.595 620 H ILE 79 H ILE 79 -0.398 -0.476 1.999 621 HA ILE 79 HA ILE 79 -0.691 0.003 4.891 622 HB ILE 79 HB ILE 79 1.614 1.019 3.248 623 1HG1 ILE 79 1HG1 ILE 79 2.099 -1.275 5.037 624 2HG1 ILE 79 2HG1 ILE 79 1.188 -1.653 3.579 625 1HG2 ILE 79 1HG2 ILE 79 1.698 0.411 6.152 626 2HG2 ILE 79 2HG2 ILE 79 0.842 1.856 5.615 627 3HG2 ILE 79 3HG2 ILE 79 2.554 1.647 5.236 628 1HD1 ILE 79 1HD1 ILE 79 3.682 -0.054 3.349 629 2HD1 ILE 79 2HD1 ILE 79 2.939 -1.165 2.195 630 3HD1 ILE 79 3HD1 ILE 79 3.787 -1.793 3.611 631 H ILE 80 H ILE 80 -2.020 1.637 5.234 632 HA ILE 80 HA ILE 80 -2.337 3.695 3.196 633 HB ILE 80 HB ILE 80 -3.854 3.481 5.777 634 1HG1 ILE 80 1HG1 ILE 80 -4.091 1.338 4.664 635 2HG1 ILE 80 2HG1 ILE 80 -5.588 2.248 4.495 636 1HG2 ILE 80 1HG2 ILE 80 -4.420 4.778 3.126 637 2HG2 ILE 80 2HG2 ILE 80 -4.109 5.582 4.663 638 3HG2 ILE 80 3HG2 ILE 80 -5.593 4.653 4.438 639 1HD1 ILE 80 1HD1 ILE 80 -5.347 2.492 2.251 640 2HD1 ILE 80 2HD1 ILE 80 -4.493 0.964 2.472 641 3HD1 ILE 80 3HD1 ILE 80 -3.585 2.468 2.325 642 H MET 81 H MET 81 -1.708 5.774 3.414 643 HA MET 81 HA MET 81 0.170 6.399 5.460 644 1HB MET 81 1HB MET 81 0.692 7.376 3.441 645 2HB MET 81 2HB MET 81 -0.968 7.856 3.114 646 1HG MET 81 1HG MET 81 -0.465 9.360 5.285 647 2HG MET 81 2HG MET 81 1.156 9.236 4.608 648 1HE MET 81 1HE MET 81 -1.554 11.250 5.043 649 2HE MET 81 2HE MET 81 -1.611 12.377 3.690 650 3HE MET 81 3HE MET 81 -0.173 12.274 4.700 651 H THR 82 H THR 82 -3.003 7.805 4.621 652 HA THR 82 HA THR 82 -3.155 8.875 7.355 653 HB THR 82 HB THR 82 -5.034 9.639 5.136 654 HG1 THR 82 HG1 THR 82 -3.485 10.626 4.152 655 1HG2 THR 82 1HG2 THR 82 -5.853 10.916 6.750 656 2HG2 THR 82 2HG2 THR 82 -4.361 11.852 6.654 657 3HG2 THR 82 3HG2 THR 82 -4.509 10.540 7.825 658 H ALA 83 H ALA 83 -5.223 8.753 8.463 659 HA ALA 83 HA ALA 83 -6.837 6.443 7.603 660 1HB ALA 83 1HB ALA 83 -6.612 7.127 10.492 661 2HB ALA 83 2HB ALA 83 -5.286 6.265 9.711 662 3HB ALA 83 3HB ALA 83 -6.907 5.570 9.718 663 H HIS 84 H HIS 84 -7.359 9.141 6.886 664 HA HIS 84 HA HIS 84 -9.397 10.151 8.654 665 1HB HIS 84 1HB HIS 84 -9.701 11.910 6.939 666 2HB HIS 84 2HB HIS 84 -8.030 11.748 7.455 667 HD1 HIS 84 HD1 HIS 84 -10.102 10.194 4.658 668 HD2 HIS 84 HD2 HIS 84 -6.421 11.997 5.308 669 HE1 HIS 84 HE1 HIS 84 -8.978 10.261 2.411 670 HE2 HIS 84 HE2 HIS 84 -6.719 11.277 2.844 671 H SER 85 H SER 85 -11.406 11.032 7.112 672 HA SER 85 HA SER 85 -13.325 10.493 6.013 673 1HB SER 85 1HB SER 85 -11.525 9.089 4.548 674 2HB SER 85 2HB SER 85 -12.525 7.778 5.166 675 HG SER 85 HG SER 85 -13.693 8.351 3.485 676 H ASP 86 H ASP 86 -12.271 7.213 6.937 677 HA ASP 86 HA ASP 86 -14.010 7.172 9.225 678 1HB ASP 86 1HB ASP 86 -14.969 6.237 6.636 679 2HB ASP 86 2HB ASP 86 -15.042 4.979 7.867 680 H LEU 87 H LEU 87 -12.392 6.407 10.481 681 HA LEU 87 HA LEU 87 -10.412 4.602 9.913 682 1HB LEU 87 1HB LEU 87 -11.341 5.889 12.171 683 2HB LEU 87 2HB LEU 87 -11.539 4.196 12.577 684 HG LEU 87 HG LEU 87 -9.392 5.091 13.356 685 1HD1 LEU 87 1HD1 LEU 87 -9.324 2.987 11.227 686 2HD1 LEU 87 2HD1 LEU 87 -9.414 2.770 12.972 687 3HD1 LEU 87 3HD1 LEU 87 -7.929 3.373 12.232 688 1HD2 LEU 87 1HD2 LEU 87 -8.722 5.430 10.439 689 2HD2 LEU 87 2HD2 LEU 87 -7.677 5.776 11.817 690 3HD2 LEU 87 3HD2 LEU 87 -9.120 6.752 11.537 691 H ASP 88 H ASP 88 -13.769 3.974 10.355 692 HA ASP 88 HA ASP 88 -13.915 1.373 11.167 693 1HB ASP 88 1HB ASP 88 -15.568 3.098 9.427 694 2HB ASP 88 2HB ASP 88 -15.854 1.367 9.284 695 H ALA 89 H ALA 89 -13.197 2.522 7.878 696 HA ALA 89 HA ALA 89 -13.158 -0.090 6.771 697 1HB ALA 89 1HB ALA 89 -12.541 0.902 4.755 698 2HB ALA 89 2HB ALA 89 -11.776 2.264 5.568 699 3HB ALA 89 3HB ALA 89 -13.528 2.124 5.558 700 H ALA 90 H ALA 90 -10.826 1.866 8.412 701 HA ALA 90 HA ALA 90 -8.484 0.549 7.484 702 1HB ALA 90 1HB ALA 90 -8.601 2.796 8.682 703 2HB ALA 90 2HB ALA 90 -7.300 1.702 9.168 704 3HB ALA 90 3HB ALA 90 -8.740 1.865 10.173 705 H VAL 91 H VAL 91 -10.539 0.126 10.352 706 HA VAL 91 HA VAL 91 -9.020 -1.991 11.453 707 HB VAL 91 HB VAL 91 -11.957 -1.544 11.925 708 1HG1 VAL 91 1HG1 VAL 91 -9.853 -3.210 13.096 709 2HG1 VAL 91 2HG1 VAL 91 -11.610 -3.385 13.160 710 3HG1 VAL 91 3HG1 VAL 91 -10.791 -2.296 14.280 711 1HG2 VAL 91 1HG2 VAL 91 -9.639 0.102 12.666 712 2HG2 VAL 91 2HG2 VAL 91 -10.711 -0.310 14.004 713 3HG2 VAL 91 3HG2 VAL 91 -11.350 0.522 12.587 714 H SER 92 H SER 92 -11.975 -1.934 9.496 715 HA SER 92 HA SER 92 -12.334 -4.725 9.392 716 1HB SER 92 1HB SER 92 -13.587 -4.086 7.184 717 2HB SER 92 2HB SER 92 -14.227 -3.531 8.730 718 HG SER 92 HG SER 92 -12.394 -1.912 7.361 719 H ALA 93 H ALA 93 -10.338 -2.508 7.590 720 HA ALA 93 HA ALA 93 -9.736 -4.092 5.374 721 1HB ALA 93 1HB ALA 93 -7.870 -2.154 6.716 722 2HB ALA 93 2HB ALA 93 -9.165 -1.689 5.615 723 3HB ALA 93 3HB ALA 93 -7.834 -2.679 5.034 724 H TYR 94 H TYR 94 -8.386 -4.046 8.604 725 HA TYR 94 HA TYR 94 -6.175 -5.714 8.166 726 1HB TYR 94 1HB TYR 94 -7.883 -5.566 10.659 727 2HB TYR 94 2HB TYR 94 -6.227 -6.158 10.563 728 HD1 TYR 94 HD1 TYR 94 -4.816 -4.200 9.031 729 HD2 TYR 94 HD2 TYR 94 -7.925 -3.606 11.870 730 HE1 TYR 94 HE1 TYR 94 -3.983 -1.930 9.457 731 HE2 TYR 94 HE2 TYR 94 -7.093 -1.331 12.310 732 HH TYR 94 HH TYR 94 -4.536 -0.199 11.972 733 H GLN 95 H GLN 95 -9.538 -6.343 8.231 734 HA GLN 95 HA GLN 95 -9.348 -9.152 8.784 735 1HB GLN 95 1HB GLN 95 -11.600 -9.090 8.923 736 2HB GLN 95 2HB GLN 95 -11.393 -7.347 8.888 737 1HG GLN 95 1HG GLN 95 -11.509 -7.897 6.236 738 2HG GLN 95 2HG GLN 95 -12.545 -9.160 6.887 739 1HE2 GLN 95 1HE2 GLN 95 -12.832 -6.471 5.383 740 2HE2 GLN 95 2HE2 GLN 95 -14.157 -5.717 6.201 741 H GLN 96 H GLN 96 -9.685 -7.138 5.905 742 HA GLN 96 HA GLN 96 -9.794 -9.366 4.126 743 1HB GLN 96 1HB GLN 96 -9.748 -7.745 2.346 744 2HB GLN 96 2HB GLN 96 -10.837 -7.183 3.607 745 1HG GLN 96 1HG GLN 96 -9.764 -5.251 3.506 746 2HG GLN 96 2HG GLN 96 -8.413 -6.063 4.288 747 1HE2 GLN 96 1HE2 GLN 96 -8.431 -3.850 2.392 748 2HE2 GLN 96 2HE2 GLN 96 -7.452 -4.357 1.062 749 H GLY 97 H GLY 97 -7.270 -7.687 5.712 750 1HA GLY 97 1HA GLY 97 -5.154 -9.053 5.563 751 2HA GLY 97 2HA GLY 97 -5.308 -8.840 3.829 752 H ALA 98 H ALA 98 -6.283 -6.045 5.482 753 HA ALA 98 HA ALA 98 -4.315 -4.418 4.396 754 1HB ALA 98 1HB ALA 98 -5.198 -2.671 5.666 755 2HB ALA 98 2HB ALA 98 -5.684 -3.749 6.978 756 3HB ALA 98 3HB ALA 98 -6.545 -3.782 5.441 757 H PHE 99 H PHE 99 -2.445 -3.436 5.218 758 HA PHE 99 HA PHE 99 -1.027 -5.067 7.120 759 1HB PHE 99 1HB PHE 99 0.015 -4.301 4.988 760 2HB PHE 99 2HB PHE 99 -0.010 -2.658 5.622 761 HD1 PHE 99 HD1 PHE 99 1.282 -6.063 6.305 762 HD2 PHE 99 HD2 PHE 99 1.715 -1.886 6.975 763 HE1 PHE 99 HE1 PHE 99 3.423 -6.472 7.442 764 HE2 PHE 99 HE2 PHE 99 3.856 -2.287 8.115 765 HZ PHE 99 HZ PHE 99 4.714 -4.582 8.347 766 H ASP 100 H ASP 100 -1.694 -1.560 6.820 767 HA ASP 100 HA ASP 100 -2.454 -1.090 9.422 768 1HB ASP 100 1HB ASP 100 -0.409 -0.171 10.484 769 2HB ASP 100 2HB ASP 100 -0.295 -1.899 10.187 770 H TYR 101 H TYR 101 -1.389 1.346 10.079 771 HA TYR 101 HA TYR 101 -1.753 2.999 7.676 772 1HB TYR 101 1HB TYR 101 -3.265 3.083 10.246 773 2HB TYR 101 2HB TYR 101 -2.905 4.613 9.458 774 HD1 TYR 101 HD1 TYR 101 -4.392 1.260 8.721 775 HD2 TYR 101 HD2 TYR 101 -4.359 5.422 7.841 776 HE1 TYR 101 HE1 TYR 101 -6.311 0.951 7.225 777 HE2 TYR 101 HE2 TYR 101 -6.294 5.115 6.346 778 HH TYR 101 HH TYR 101 -7.328 3.295 5.025 779 H LEU 102 H LEU 102 -0.347 4.699 7.483 780 HA LEU 102 HA LEU 102 1.258 5.480 9.820 781 1HB LEU 102 1HB LEU 102 2.680 3.933 8.757 782 2HB LEU 102 2HB LEU 102 2.235 4.487 7.158 783 HG LEU 102 HG LEU 102 3.454 6.695 8.425 784 1HD1 LEU 102 1HD1 LEU 102 5.552 4.670 8.508 785 2HD1 LEU 102 2HD1 LEU 102 4.323 4.452 9.757 786 3HD1 LEU 102 3HD1 LEU 102 5.196 5.980 9.635 787 1HD2 LEU 102 1HD2 LEU 102 3.534 6.213 6.059 788 2HD2 LEU 102 2HD2 LEU 102 4.482 4.755 6.362 789 3HD2 LEU 102 3HD2 LEU 102 5.173 6.337 6.701 790 HA PRO 103 HA PRO 103 -0.279 9.556 8.627 791 1HB PRO 103 1HB PRO 103 2.383 10.174 9.860 792 2HB PRO 103 2HB PRO 103 0.836 11.005 10.063 793 1HG PRO 103 1HG PRO 103 1.706 9.281 11.900 794 2HG PRO 103 2HG PRO 103 -0.010 9.370 11.469 795 1HD PRO 103 1HD PRO 103 1.978 7.269 10.855 796 2HD PRO 103 2HD PRO 103 0.210 7.157 10.956 797 H LYS 104 H LYS 104 0.635 11.553 7.513 798 HA LYS 104 HA LYS 104 1.406 11.149 4.974 799 1HB LYS 104 1HB LYS 104 0.856 13.382 5.790 800 2HB LYS 104 2HB LYS 104 2.381 13.452 6.662 801 1HG LYS 104 1HG LYS 104 2.601 14.727 4.648 802 2HG LYS 104 2HG LYS 104 3.578 13.269 4.491 803 1HD LYS 104 1HD LYS 104 0.844 12.965 3.493 804 2HD LYS 104 2HD LYS 104 1.768 14.194 2.643 805 1HE LYS 104 1HE LYS 104 3.567 12.522 2.284 806 2HE LYS 104 2HE LYS 104 2.543 11.304 3.038 807 1HZ LYS 104 1HZ LYS 104 2.257 11.070 0.713 808 2HZ LYS 104 2HZ LYS 104 2.071 12.739 0.486 809 3HZ LYS 104 3HZ LYS 104 0.860 11.857 1.267 810 HA PRO 105 HA PRO 105 6.186 11.372 6.238 811 1HB PRO 105 1HB PRO 105 6.380 9.779 8.565 812 2HB PRO 105 2HB PRO 105 6.699 11.511 8.456 813 1HG PRO 105 1HG PRO 105 4.258 10.088 9.381 814 2HG PRO 105 2HG PRO 105 4.936 11.632 9.928 815 1HD PRO 105 1HD PRO 105 2.766 11.547 8.375 816 2HD PRO 105 2HD PRO 105 3.989 12.812 8.164 817 H PHE 106 H PHE 106 6.887 9.882 4.856 818 HA PHE 106 HA PHE 106 6.377 7.079 5.277 819 1HB PHE 106 1HB PHE 106 4.599 8.580 3.678 820 2HB PHE 106 2HB PHE 106 5.599 7.666 2.556 821 HD1 PHE 106 HD1 PHE 106 2.524 7.516 3.763 822 HD2 PHE 106 HD2 PHE 106 6.084 5.208 3.946 823 HE1 PHE 106 HE1 PHE 106 1.188 5.490 4.125 824 HE2 PHE 106 HE2 PHE 106 4.753 3.173 4.320 825 HZ PHE 106 HZ PHE 106 2.298 3.318 4.411 826 H ASP 107 H ASP 107 7.021 8.670 2.173 827 HA ASP 107 HA ASP 107 8.763 8.240 0.720 828 1HB ASP 107 1HB ASP 107 10.807 9.351 1.445 829 2HB ASP 107 2HB ASP 107 9.405 10.279 1.960 830 H ILE 108 H ILE 108 11.457 7.592 1.236 831 HA ILE 108 HA ILE 108 11.231 4.796 1.391 832 HB ILE 108 HB ILE 108 13.501 6.660 1.075 833 1HG1 ILE 108 1HG1 ILE 108 13.654 5.706 -1.070 834 2HG1 ILE 108 2HG1 ILE 108 12.740 4.280 -0.579 835 1HG2 ILE 108 1HG2 ILE 108 14.017 3.714 1.203 836 2HG2 ILE 108 2HG2 ILE 108 14.203 4.738 2.625 837 3HG2 ILE 108 3HG2 ILE 108 15.177 5.037 1.189 838 1HD1 ILE 108 1HD1 ILE 108 11.562 7.037 -0.665 839 2HD1 ILE 108 2HD1 ILE 108 10.718 5.505 -0.496 840 3HD1 ILE 108 3HD1 ILE 108 11.507 5.912 -2.008 841 H ASP 109 H ASP 109 12.766 7.076 3.555 842 HA ASP 109 HA ASP 109 13.701 5.330 5.442 843 1HB ASP 109 1HB ASP 109 12.667 8.145 5.665 844 2HB ASP 109 2HB ASP 109 13.240 7.282 7.088 845 H GLU 110 H GLU 110 10.517 6.954 5.581 846 HA GLU 110 HA GLU 110 9.691 5.329 7.752 847 1HB GLU 110 1HB GLU 110 8.007 7.180 6.090 848 2HB GLU 110 2HB GLU 110 7.600 6.538 7.668 849 1HG GLU 110 1HG GLU 110 10.124 8.049 7.453 850 2HG GLU 110 2HG GLU 110 8.625 8.964 7.274 851 H ALA 111 H ALA 111 9.167 5.121 4.265 852 HA ALA 111 HA ALA 111 7.097 3.152 4.692 853 1HB ALA 111 1HB ALA 111 6.430 3.955 2.739 854 2HB ALA 111 2HB ALA 111 7.695 2.961 2.017 855 3HB ALA 111 3HB ALA 111 8.006 4.652 2.386 856 H VAL 112 H VAL 112 10.354 3.127 3.199 857 HA VAL 112 HA VAL 112 10.510 0.382 2.831 858 HB VAL 112 HB VAL 112 12.828 2.131 3.612 859 1HG1 VAL 112 1HG1 VAL 112 12.680 -0.610 3.204 860 2HG1 VAL 112 2HG1 VAL 112 14.144 0.376 3.189 861 3HG1 VAL 112 3HG1 VAL 112 13.304 0.021 1.679 862 1HG2 VAL 112 1HG2 VAL 112 11.197 2.014 1.180 863 2HG2 VAL 112 2HG2 VAL 112 12.936 1.891 0.901 864 3HG2 VAL 112 3HG2 VAL 112 12.278 3.272 1.769 865 H ALA 113 H ALA 113 10.915 2.317 5.673 866 HA ALA 113 HA ALA 113 12.143 0.452 7.377 867 1HB ALA 113 1HB ALA 113 11.978 2.172 8.790 868 2HB ALA 113 2HB ALA 113 10.220 2.009 8.809 869 3HB ALA 113 3HB ALA 113 10.994 3.023 7.598 870 H LEU 114 H LEU 114 8.761 1.277 6.866 871 HA LEU 114 HA LEU 114 7.742 -0.824 8.480 872 1HB LEU 114 1HB LEU 114 6.600 1.322 8.174 873 2HB LEU 114 2HB LEU 114 6.366 0.952 6.477 874 HG LEU 114 HG LEU 114 5.141 -1.178 7.512 875 1HD1 LEU 114 1HD1 LEU 114 5.071 -1.010 9.751 876 2HD1 LEU 114 2HD1 LEU 114 3.756 0.126 9.445 877 3HD1 LEU 114 3HD1 LEU 114 5.391 0.724 9.732 878 1HD2 LEU 114 1HD2 LEU 114 4.327 1.433 6.564 879 2HD2 LEU 114 2HD2 LEU 114 3.146 0.732 7.669 880 3HD2 LEU 114 3HD2 LEU 114 3.640 -0.156 6.229 881 H VAL 115 H VAL 115 8.695 -0.671 5.160 882 HA VAL 115 HA VAL 115 6.962 -2.807 4.333 883 HB VAL 115 HB VAL 115 7.821 -1.043 2.743 884 1HG1 VAL 115 1HG1 VAL 115 10.229 -1.347 3.551 885 2HG1 VAL 115 2HG1 VAL 115 9.964 -1.163 1.821 886 3HG1 VAL 115 3HG1 VAL 115 10.268 -2.762 2.504 887 1HG2 VAL 115 1HG2 VAL 115 7.144 -2.435 1.153 888 2HG2 VAL 115 2HG2 VAL 115 7.181 -3.729 2.349 889 3HG2 VAL 115 3HG2 VAL 115 8.586 -3.432 1.329 890 H GLU 116 H GLU 116 10.462 -2.549 4.913 891 HA GLU 116 HA GLU 116 11.110 -5.198 4.356 892 1HB GLU 116 1HB GLU 116 12.383 -3.199 6.223 893 2HB GLU 116 2HB GLU 116 13.100 -4.760 5.846 894 1HG GLU 116 1HG GLU 116 12.786 -3.941 3.370 895 2HG GLU 116 2HG GLU 116 12.779 -2.352 4.132 896 H ARG 117 H ARG 117 10.112 -3.684 7.412 897 HA ARG 117 HA ARG 117 10.393 -5.981 9.009 898 1HB ARG 117 1HB ARG 117 8.923 -4.820 10.600 899 2HB ARG 117 2HB ARG 117 10.181 -3.762 9.982 900 1HG ARG 117 1HG ARG 117 8.433 -2.348 9.790 901 2HG ARG 117 2HG ARG 117 8.274 -3.163 8.233 902 1HD ARG 117 1HD ARG 117 6.143 -3.437 8.919 903 2HD ARG 117 2HD ARG 117 6.826 -4.824 9.764 904 HE ARG 117 HE ARG 117 6.032 -2.270 10.949 905 1HH1 ARG 117 1HH1 ARG 117 7.303 -5.502 11.379 906 2HH1 ARG 117 2HH1 ARG 117 7.041 -5.503 13.088 907 1HH2 ARG 117 1HH2 ARG 117 5.690 -2.284 13.191 908 2HH2 ARG 117 2HH2 ARG 117 6.125 -3.682 14.118 909 H ALA 118 H ALA 118 8.013 -5.019 6.722 910 HA ALA 118 HA ALA 118 5.898 -6.685 7.648 911 1HB ALA 118 1HB ALA 118 4.747 -6.074 5.669 912 2HB ALA 118 2HB ALA 118 6.246 -5.634 4.852 913 3HB ALA 118 3HB ALA 118 5.646 -4.647 6.184 914 H ILE 119 H ILE 119 8.009 -6.901 4.779 915 HA ILE 119 HA ILE 119 7.253 -9.525 4.099 916 HB ILE 119 HB ILE 119 9.863 -8.181 3.420 917 1HG1 ILE 119 1HG1 ILE 119 7.615 -8.101 1.496 918 2HG1 ILE 119 2HG1 ILE 119 7.451 -7.061 2.907 919 1HG2 ILE 119 1HG2 ILE 119 9.573 -9.561 1.319 920 2HG2 ILE 119 2HG2 ILE 119 8.310 -10.437 2.186 921 3HG2 ILE 119 3HG2 ILE 119 9.967 -10.447 2.793 922 1HD1 ILE 119 1HD1 ILE 119 8.488 -6.007 0.887 923 2HD1 ILE 119 2HD1 ILE 119 9.877 -7.064 1.144 924 3HD1 ILE 119 3HD1 ILE 119 9.427 -5.883 2.376 925 H SER 120 H SER 120 9.666 -8.229 6.224 926 HA SER 120 HA SER 120 11.269 -10.523 6.519 927 1HB SER 120 1HB SER 120 11.892 -8.203 7.240 928 2HB SER 120 2HB SER 120 10.781 -8.381 8.598 929 HG SER 120 HG SER 120 12.762 -8.984 9.347 930 H HIS 121 H HIS 121 8.338 -9.448 8.147 931 HA HIS 121 HA HIS 121 8.407 -11.556 10.097 932 1HB HIS 121 1HB HIS 121 6.565 -9.323 9.419 933 2HB HIS 121 2HB HIS 121 5.882 -10.697 10.282 934 HD1 HIS 121 HD1 HIS 121 8.315 -7.878 10.675 935 HD2 HIS 121 HD2 HIS 121 6.672 -10.944 12.948 936 HE1 HIS 121 HE1 HIS 121 8.953 -7.368 13.054 937 HE2 HIS 121 HE2 HIS 121 8.014 -9.278 14.401 938 H TYR 122 H TYR 122 7.134 -11.131 6.920 939 HA TYR 122 HA TYR 122 5.172 -13.169 6.998 940 1HB TYR 122 1HB TYR 122 5.805 -11.215 5.218 941 2HB TYR 122 2HB TYR 122 6.456 -12.632 4.400 942 HD1 TYR 122 HD1 TYR 122 5.031 -13.384 2.761 943 HD2 TYR 122 HD2 TYR 122 3.366 -11.971 6.413 944 HE1 TYR 122 HE1 TYR 122 2.781 -13.956 1.951 945 HE2 TYR 122 HE2 TYR 122 1.111 -12.543 5.613 946 HH TYR 122 HH TYR 122 0.225 -14.372 3.758 947 H GLN 123 H GLN 123 8.478 -13.103 5.677 948 HA GLN 123 HA GLN 123 8.478 -15.892 5.092 949 1HB GLN 123 1HB GLN 123 10.127 -13.650 4.516 950 2HB GLN 123 2HB GLN 123 11.136 -14.894 5.239 951 1HG GLN 123 1HG GLN 123 11.238 -15.304 2.949 952 2HG GLN 123 2HG GLN 123 10.089 -16.492 3.564 953 1HE2 GLN 123 1HE2 GLN 123 9.903 -13.081 2.582 954 2HE2 GLN 123 2HE2 GLN 123 8.568 -13.289 1.507 955 H GLU 124 H GLU 124 10.521 -17.168 5.926 956 HA GLU 124 HA GLU 124 11.054 -16.687 8.743 957 1HB GLU 124 1HB GLU 124 8.984 -18.020 8.750 958 2HB GLU 124 2HB GLU 124 9.778 -19.256 7.785 959 1HG GLU 124 1HG GLU 124 10.560 -20.227 9.606 960 2HG GLU 124 2HG GLU 124 11.366 -18.735 10.091 Start of MODEL 9 1 1H MET 1 1H MET 1 11.246 -19.289 -4.698 2 2H MET 1 2H MET 1 10.488 -20.016 -6.054 3 3H MET 1 3H MET 1 9.898 -18.529 -5.433 4 HA MET 1 HA MET 1 12.653 -18.769 -6.369 5 1HB MET 1 1HB MET 1 10.335 -19.252 -7.937 6 2HB MET 1 2HB MET 1 10.936 -17.660 -8.381 7 1HG MET 1 1HG MET 1 13.221 -19.175 -8.312 8 2HG MET 1 2HG MET 1 12.021 -20.299 -8.946 9 1HE MET 1 1HE MET 1 11.593 -20.665 -10.927 10 2HE MET 1 2HE MET 1 12.970 -20.237 -11.942 11 3HE MET 1 3HE MET 1 11.376 -19.566 -12.289 12 H GLN 2 H GLN 2 11.455 -17.274 -4.224 13 HA GLN 2 HA GLN 2 11.425 -15.161 -3.381 14 1HB GLN 2 1HB GLN 2 13.527 -15.227 -5.217 15 2HB GLN 2 2HB GLN 2 12.646 -13.759 -5.614 16 1HG GLN 2 1HG GLN 2 14.375 -13.236 -4.048 17 2HG GLN 2 2HG GLN 2 12.812 -13.065 -3.251 18 1HE2 GLN 2 1HE2 GLN 2 14.416 -13.192 -1.401 19 2HE2 GLN 2 2HE2 GLN 2 14.706 -14.763 -0.744 20 H ARG 3 H ARG 3 10.376 -13.086 -3.584 21 HA ARG 3 HA ARG 3 9.051 -12.236 -5.907 22 1HB ARG 3 1HB ARG 3 7.769 -14.354 -5.351 23 2HB ARG 3 2HB ARG 3 7.168 -13.509 -3.931 24 1HG ARG 3 1HG ARG 3 5.627 -12.454 -5.121 25 2HG ARG 3 2HG ARG 3 6.825 -11.895 -6.293 26 1HD ARG 3 1HD ARG 3 5.612 -13.194 -7.695 27 2HD ARG 3 2HD ARG 3 6.645 -14.463 -7.040 28 HE ARG 3 HE ARG 3 3.823 -14.037 -6.486 29 1HH1 ARG 3 1HH1 ARG 3 6.746 -15.787 -5.707 30 2HH1 ARG 3 2HH1 ARG 3 5.910 -17.054 -4.878 31 1HH2 ARG 3 1HH2 ARG 3 2.731 -15.712 -5.406 32 2HH2 ARG 3 2HH2 ARG 3 3.636 -17.016 -4.711 33 H GLY 4 H GLY 4 10.278 -10.503 -4.764 34 1HA GLY 4 1HA GLY 4 8.783 -9.303 -2.539 35 2HA GLY 4 2HA GLY 4 10.404 -8.849 -3.053 36 H ILE 5 H ILE 5 6.983 -8.629 -3.830 37 HA ILE 5 HA ILE 5 7.592 -6.466 -5.728 38 HB ILE 5 HB ILE 5 4.880 -7.702 -5.396 39 1HG1 ILE 5 1HG1 ILE 5 6.164 -9.643 -5.822 40 2HG1 ILE 5 2HG1 ILE 5 5.522 -9.164 -7.387 41 1HG2 ILE 5 1HG2 ILE 5 4.326 -6.418 -7.121 42 2HG2 ILE 5 2HG2 ILE 5 5.705 -6.978 -8.065 43 3HG2 ILE 5 3HG2 ILE 5 5.893 -5.629 -6.946 44 1HD1 ILE 5 1HD1 ILE 5 7.569 -9.161 -8.207 45 2HD1 ILE 5 2HD1 ILE 5 8.211 -9.598 -6.623 46 3HD1 ILE 5 3HD1 ILE 5 8.030 -7.898 -7.064 47 H VAL 6 H VAL 6 7.502 -4.500 -4.826 48 HA VAL 6 HA VAL 6 5.455 -4.004 -2.767 49 HB VAL 6 HB VAL 6 7.670 -3.596 -1.893 50 1HG1 VAL 6 1HG1 VAL 6 9.358 -2.597 -2.981 51 2HG1 VAL 6 2HG1 VAL 6 8.319 -1.340 -3.652 52 3HG1 VAL 6 3HG1 VAL 6 8.396 -2.923 -4.418 53 1HG2 VAL 6 1HG2 VAL 6 5.628 -1.918 -1.633 54 2HG2 VAL 6 2HG2 VAL 6 6.778 -0.812 -2.384 55 3HG2 VAL 6 3HG2 VAL 6 7.190 -1.620 -0.871 56 H TRP 7 H TRP 7 3.750 -2.867 -3.416 57 HA TRP 7 HA TRP 7 4.094 -1.033 -5.693 58 1HB TRP 7 1HB TRP 7 1.787 -2.764 -4.852 59 2HB TRP 7 2HB TRP 7 1.531 -1.364 -5.889 60 HD1 TRP 7 HD1 TRP 7 4.801 -2.978 -6.619 61 HE1 TRP 7 HE1 TRP 7 4.662 -4.353 -8.783 62 HE3 TRP 7 HE3 TRP 7 -0.269 -3.029 -7.224 63 HZ2 TRP 7 HZ2 TRP 7 2.663 -5.340 -10.515 64 HZ3 TRP 7 HZ3 TRP 7 -1.219 -4.210 -9.157 65 HH2 TRP 7 HH2 TRP 7 0.220 -5.344 -10.771 66 H VAL 8 H VAL 8 3.653 1.069 -5.436 67 HA VAL 8 HA VAL 8 2.424 1.918 -2.890 68 HB VAL 8 HB VAL 8 4.256 3.810 -4.232 69 1HG1 VAL 8 1HG1 VAL 8 3.567 4.636 -2.219 70 2HG1 VAL 8 2HG1 VAL 8 5.060 3.839 -1.727 71 3HG1 VAL 8 3HG1 VAL 8 3.513 3.052 -1.456 72 1HG2 VAL 8 1HG2 VAL 8 5.159 1.124 -3.382 73 2HG2 VAL 8 2HG2 VAL 8 6.143 2.490 -2.861 74 3HG2 VAL 8 3HG2 VAL 8 5.838 2.228 -4.579 75 H VAL 9 H VAL 9 1.041 3.682 -2.899 76 HA VAL 9 HA VAL 9 0.434 4.881 -5.513 77 HB VAL 9 HB VAL 9 -1.905 4.640 -3.736 78 1HG1 VAL 9 1HG1 VAL 9 -2.695 5.346 -5.681 79 2HG1 VAL 9 2HG1 VAL 9 -2.540 3.690 -6.260 80 3HG1 VAL 9 3HG1 VAL 9 -1.254 4.872 -6.542 81 1HG2 VAL 9 1HG2 VAL 9 -2.221 2.276 -4.934 82 2HG2 VAL 9 2HG2 VAL 9 -1.582 2.443 -3.306 83 3HG2 VAL 9 3HG2 VAL 9 -0.481 2.223 -4.664 84 H ASP 10 H ASP 10 1.071 6.946 -5.272 85 HA ASP 10 HA ASP 10 -0.252 8.826 -3.771 86 1HB ASP 10 1HB ASP 10 0.737 7.586 -1.801 87 2HB ASP 10 2HB ASP 10 2.319 8.127 -2.349 88 H ASP 11 H ASP 11 0.043 10.352 -5.238 89 HA ASP 11 HA ASP 11 1.010 12.043 -6.388 90 1HB ASP 11 1HB ASP 11 2.633 11.767 -4.183 91 2HB ASP 11 2HB ASP 11 3.774 11.658 -5.521 92 H ASP 12 H ASP 12 2.965 9.066 -6.335 93 HA ASP 12 HA ASP 12 3.897 7.879 -8.041 94 1HB ASP 12 1HB ASP 12 1.654 8.831 -9.181 95 2HB ASP 12 2HB ASP 12 2.840 9.681 -10.166 96 H SER 13 H SER 13 4.910 8.894 -10.536 97 HA SER 13 HA SER 13 7.048 9.539 -11.118 98 1HB SER 13 1HB SER 13 5.219 11.291 -11.616 99 2HB SER 13 2HB SER 13 6.037 12.256 -10.390 100 HG SER 13 HG SER 13 7.006 11.352 -12.875 101 H SER 14 H SER 14 6.694 12.190 -8.847 102 HA SER 14 HA SER 14 9.321 12.084 -7.924 103 1HB SER 14 1HB SER 14 7.686 14.011 -7.670 104 2HB SER 14 2HB SER 14 6.984 13.129 -6.312 105 HG SER 14 HG SER 14 8.512 14.493 -5.476 106 H ILE 15 H ILE 15 6.377 11.011 -6.210 107 HA ILE 15 HA ILE 15 7.738 9.777 -4.086 108 HB ILE 15 HB ILE 15 4.976 9.186 -5.189 109 1HG1 ILE 15 1HG1 ILE 15 5.409 11.527 -4.409 110 2HG1 ILE 15 2HG1 ILE 15 4.157 10.688 -3.502 111 1HG2 ILE 15 1HG2 ILE 15 5.433 8.657 -2.355 112 2HG2 ILE 15 2HG2 ILE 15 6.378 7.617 -3.414 113 3HG2 ILE 15 3HG2 ILE 15 4.625 7.677 -3.575 114 1HD1 ILE 15 1HD1 ILE 15 6.995 10.830 -2.547 115 2HD1 ILE 15 2HD1 ILE 15 5.542 10.421 -1.633 116 3HD1 ILE 15 3HD1 ILE 15 5.803 12.078 -2.179 117 H ARG 16 H ARG 16 7.179 8.810 -7.335 118 HA ARG 16 HA ARG 16 7.536 5.995 -6.928 119 1HB ARG 16 1HB ARG 16 6.247 6.889 -8.833 120 2HB ARG 16 2HB ARG 16 7.706 7.631 -9.467 121 1HG ARG 16 1HG ARG 16 8.681 5.290 -9.552 122 2HG ARG 16 2HG ARG 16 7.043 4.712 -9.267 123 1HD ARG 16 1HD ARG 16 6.661 4.862 -11.446 124 2HD ARG 16 2HD ARG 16 6.833 6.611 -11.317 125 HE ARG 16 HE ARG 16 9.372 5.380 -11.529 126 1HH1 ARG 16 1HH1 ARG 16 6.558 6.198 -13.425 127 2HH1 ARG 16 2HH1 ARG 16 7.435 6.304 -14.913 128 1HH2 ARG 16 1HH2 ARG 16 10.529 5.519 -13.489 129 2HH2 ARG 16 2HH2 ARG 16 9.690 5.919 -14.951 130 H TRP 17 H TRP 17 9.540 8.450 -8.570 131 HA TRP 17 HA TRP 17 11.773 6.986 -9.090 132 1HB TRP 17 1HB TRP 17 11.459 9.339 -9.763 133 2HB TRP 17 2HB TRP 17 11.780 9.841 -8.105 134 HD1 TRP 17 HD1 TRP 17 13.539 8.509 -11.228 135 HE1 TRP 17 HE1 TRP 17 16.079 8.820 -10.944 136 HE3 TRP 17 HE3 TRP 17 13.629 10.016 -6.343 137 HZ2 TRP 17 HZ2 TRP 17 17.882 9.605 -8.918 138 HZ3 TRP 17 HZ3 TRP 17 15.805 10.524 -5.306 139 HH2 TRP 17 HH2 TRP 17 17.885 10.323 -6.569 140 H VAL 18 H VAL 18 10.931 8.434 -5.976 141 HA VAL 18 HA VAL 18 13.418 7.808 -4.764 142 HB VAL 18 HB VAL 18 10.981 8.104 -3.084 143 1HG1 VAL 18 1HG1 VAL 18 12.430 9.049 -1.538 144 2HG1 VAL 18 2HG1 VAL 18 13.604 9.511 -2.770 145 3HG1 VAL 18 3HG1 VAL 18 13.429 7.818 -2.310 146 1HG2 VAL 18 1HG2 VAL 18 11.850 10.041 -5.087 147 2HG2 VAL 18 2HG2 VAL 18 11.779 10.701 -3.453 148 3HG2 VAL 18 3HG2 VAL 18 10.349 9.957 -4.165 149 H LEU 19 H LEU 19 10.215 6.463 -4.134 150 HA LEU 19 HA LEU 19 11.168 4.290 -2.631 151 1HB LEU 19 1HB LEU 19 8.553 4.988 -3.869 152 2HB LEU 19 2HB LEU 19 8.789 3.351 -3.300 153 HG LEU 19 HG LEU 19 7.679 4.542 -1.581 154 1HD1 LEU 19 1HD1 LEU 19 10.534 3.874 -1.100 155 2HD1 LEU 19 2HD1 LEU 19 9.071 3.151 -0.441 156 3HD1 LEU 19 3HD1 LEU 19 9.644 4.699 0.177 157 1HD2 LEU 19 1HD2 LEU 19 9.711 6.552 -1.013 158 2HD2 LEU 19 2HD2 LEU 19 7.960 6.699 -1.097 159 3HD2 LEU 19 3HD2 LEU 19 8.922 6.773 -2.572 160 H GLU 20 H GLU 20 10.802 4.697 -6.050 161 HA GLU 20 HA GLU 20 10.671 1.961 -6.721 162 1HB GLU 20 1HB GLU 20 10.956 2.586 -8.966 163 2HB GLU 20 2HB GLU 20 10.048 3.884 -8.223 164 1HG GLU 20 1HG GLU 20 12.030 5.258 -8.145 165 2HG GLU 20 2HG GLU 20 12.997 3.937 -8.787 166 H ARG 21 H ARG 21 13.422 4.189 -7.013 167 HA ARG 21 HA ARG 21 15.262 2.098 -7.553 168 1HB ARG 21 1HB ARG 21 15.693 4.980 -6.777 169 2HB ARG 21 2HB ARG 21 16.996 3.886 -7.218 170 1HG ARG 21 1HG ARG 21 14.807 4.002 -9.159 171 2HG ARG 21 2HG ARG 21 15.677 5.519 -8.941 172 1HD ARG 21 1HD ARG 21 16.831 2.844 -9.699 173 2HD ARG 21 2HD ARG 21 16.711 4.278 -10.714 174 HE ARG 21 HE ARG 21 18.316 5.335 -9.161 175 1HH1 ARG 21 1HH1 ARG 21 18.170 1.840 -9.310 176 2HH1 ARG 21 2HH1 ARG 21 19.794 1.633 -8.755 177 1HH2 ARG 21 1HH2 ARG 21 20.444 5.048 -8.438 178 2HH2 ARG 21 2HH2 ARG 21 21.085 3.448 -8.261 179 H ALA 22 H ALA 22 14.686 4.072 -4.641 180 HA ALA 22 HA ALA 22 16.689 2.990 -3.059 181 1HB ALA 22 1HB ALA 22 14.045 4.217 -2.399 182 2HB ALA 22 2HB ALA 22 15.663 4.884 -2.187 183 3HB ALA 22 3HB ALA 22 15.097 3.591 -1.130 184 H LEU 23 H LEU 23 13.292 2.034 -3.095 185 HA LEU 23 HA LEU 23 13.665 -0.226 -1.457 186 1HB LEU 23 1HB LEU 23 11.482 1.000 -2.037 187 2HB LEU 23 2HB LEU 23 11.467 0.023 -3.491 188 HG LEU 23 HG LEU 23 11.069 -1.950 -2.325 189 1HD1 LEU 23 1HD1 LEU 23 12.314 -0.544 -0.017 190 2HD1 LEU 23 2HD1 LEU 23 12.625 -2.156 -0.658 191 3HD1 LEU 23 3HD1 LEU 23 11.174 -1.853 0.296 192 1HD2 LEU 23 1HD2 LEU 23 9.661 0.028 -0.561 193 2HD2 LEU 23 2HD2 LEU 23 9.120 -1.574 -1.064 194 3HD2 LEU 23 3HD2 LEU 23 9.195 -0.260 -2.239 195 H ALA 24 H ALA 24 14.236 0.344 -4.795 196 HA ALA 24 HA ALA 24 14.152 -2.358 -5.672 197 1HB ALA 24 1HB ALA 24 13.967 -0.793 -7.400 198 2HB ALA 24 2HB ALA 24 15.613 -1.402 -7.566 199 3HB ALA 24 3HB ALA 24 15.324 0.162 -6.806 200 H GLY 25 H GLY 25 16.548 -0.247 -4.234 201 1HA GLY 25 1HA GLY 25 18.799 -1.934 -4.685 202 2HA GLY 25 2HA GLY 25 18.689 -0.648 -3.486 203 H ALA 26 H ALA 26 16.175 -1.998 -2.439 204 HA ALA 26 HA ALA 26 17.494 -3.599 -0.472 205 1HB ALA 26 1HB ALA 26 15.083 -3.920 0.341 206 2HB ALA 26 2HB ALA 26 14.656 -2.746 -0.903 207 3HB ALA 26 3HB ALA 26 15.763 -2.293 0.392 208 H GLY 27 H GLY 27 16.050 -4.204 -3.501 209 1HA GLY 27 1HA GLY 27 16.405 -6.348 -4.517 210 2HA GLY 27 2HA GLY 27 16.191 -7.087 -2.942 211 H LEU 28 H LEU 28 13.927 -4.623 -4.029 212 HA LEU 28 HA LEU 28 12.036 -6.750 -4.688 213 1HB LEU 28 1HB LEU 28 10.887 -4.386 -3.372 214 2HB LEU 28 2HB LEU 28 10.449 -6.077 -3.231 215 HG LEU 28 HG LEU 28 12.777 -6.143 -1.921 216 1HD1 LEU 28 1HD1 LEU 28 13.568 -4.060 -1.866 217 2HD1 LEU 28 2HD1 LEU 28 12.520 -3.982 -0.448 218 3HD1 LEU 28 3HD1 LEU 28 11.967 -3.338 -1.995 219 1HD2 LEU 28 1HD2 LEU 28 10.113 -6.345 -1.289 220 2HD2 LEU 28 2HD2 LEU 28 10.693 -5.087 -0.196 221 3HD2 LEU 28 3HD2 LEU 28 11.460 -6.675 -0.197 222 H THR 29 H THR 29 10.015 -5.864 -5.737 223 HA THR 29 HA THR 29 10.826 -3.938 -7.797 224 HB THR 29 HB THR 29 8.544 -5.927 -7.698 225 HG1 THR 29 HG1 THR 29 10.742 -5.861 -9.475 226 1HG2 THR 29 1HG2 THR 29 8.846 -5.155 -10.323 227 2HG2 THR 29 2HG2 THR 29 8.925 -3.635 -9.431 228 3HG2 THR 29 3HG2 THR 29 7.530 -4.696 -9.242 229 H CYS 30 H CYS 30 10.370 -1.913 -7.184 230 HA CYS 30 HA CYS 30 7.841 -1.406 -5.793 231 1HB CYS 30 1HB CYS 30 9.961 -0.671 -4.728 232 2HB CYS 30 2HB CYS 30 10.203 0.434 -6.075 233 HG CYS 30 HG CYS 30 8.983 1.989 -4.617 234 H THR 31 H THR 31 6.220 -0.824 -7.008 235 HA THR 31 HA THR 31 6.689 1.081 -9.205 236 HB THR 31 HB THR 31 5.917 -1.320 -9.837 237 HG1 THR 31 HG1 THR 31 4.278 -0.304 -11.309 238 1HG2 THR 31 1HG2 THR 31 3.866 -2.063 -9.370 239 2HG2 THR 31 2HG2 THR 31 3.148 -0.460 -9.468 240 3HG2 THR 31 3HG2 THR 31 3.978 -0.964 -7.996 241 H THR 32 H THR 32 4.927 2.684 -9.473 242 HA THR 32 HA THR 32 3.321 2.902 -7.033 243 HB THR 32 HB THR 32 3.684 5.229 -6.859 244 HG1 THR 32 HG1 THR 32 5.081 5.045 -9.322 245 1HG2 THR 32 1HG2 THR 32 5.830 5.281 -6.153 246 2HG2 THR 32 2HG2 THR 32 6.444 4.468 -7.591 247 3HG2 THR 32 3HG2 THR 32 5.641 3.536 -6.331 248 H PHE 33 H PHE 33 1.504 4.404 -7.172 249 HA PHE 33 HA PHE 33 0.274 4.481 -9.826 250 1HB PHE 33 1HB PHE 33 -0.952 3.351 -7.317 251 2HB PHE 33 2HB PHE 33 -1.812 3.593 -8.826 252 HD1 PHE 33 HD1 PHE 33 1.040 1.846 -7.279 253 HD2 PHE 33 HD2 PHE 33 -1.716 1.942 -10.516 254 HE1 PHE 33 HE1 PHE 33 1.834 -0.358 -8.016 255 HE2 PHE 33 HE2 PHE 33 -0.938 -0.265 -11.255 256 HZ PHE 33 HZ PHE 33 0.837 -1.424 -10.003 257 H GLU 34 H GLU 34 -1.932 5.748 -9.654 258 HA GLU 34 HA GLU 34 -1.284 8.374 -8.975 259 1HB GLU 34 1HB GLU 34 -3.702 8.846 -9.434 260 2HB GLU 34 2HB GLU 34 -2.857 7.964 -10.698 261 1HG GLU 34 1HG GLU 34 -4.614 6.609 -10.663 262 2HG GLU 34 2HG GLU 34 -3.868 5.933 -9.221 263 H ASN 35 H ASN 35 -3.849 6.412 -7.331 264 HA ASN 35 HA ASN 35 -3.072 7.641 -4.843 265 1HB ASN 35 1HB ASN 35 -4.756 9.163 -6.058 266 2HB ASN 35 2HB ASN 35 -5.950 7.943 -5.616 267 1HD2 ASN 35 1HD2 ASN 35 -4.229 10.655 -4.620 268 2HD2 ASN 35 2HD2 ASN 35 -4.676 10.642 -2.955 269 H GLY 36 H GLY 36 -4.855 5.229 -6.556 270 1HA GLY 36 1HA GLY 36 -4.532 3.247 -4.687 271 2HA GLY 36 2HA GLY 36 -6.044 4.020 -4.255 272 H ASN 37 H ASN 37 -7.406 4.456 -6.421 273 HA ASN 37 HA ASN 37 -8.393 2.004 -7.215 274 1HB ASN 37 1HB ASN 37 -8.908 4.737 -7.831 275 2HB ASN 37 2HB ASN 37 -8.883 3.825 -9.336 276 1HD2 ASN 37 1HD2 ASN 37 -9.861 2.690 -6.143 277 2HD2 ASN 37 2HD2 ASN 37 -11.506 2.374 -6.561 278 H GLU 38 H GLU 38 -5.691 3.785 -8.448 279 HA GLU 38 HA GLU 38 -5.448 2.616 -10.980 280 1HB GLU 38 1HB GLU 38 -3.902 4.313 -9.324 281 2HB GLU 38 2HB GLU 38 -2.862 3.005 -9.841 282 1HG GLU 38 1HG GLU 38 -4.487 4.184 -11.969 283 2HG GLU 38 2HG GLU 38 -3.295 5.263 -11.251 284 H VAL 39 H VAL 39 -3.676 1.687 -7.969 285 HA VAL 39 HA VAL 39 -2.466 -0.593 -8.947 286 HB VAL 39 HB VAL 39 -3.678 -0.418 -6.183 287 1HG1 VAL 39 1HG1 VAL 39 -2.692 -2.369 -5.783 288 2HG1 VAL 39 2HG1 VAL 39 -1.154 -1.758 -6.374 289 3HG1 VAL 39 3HG1 VAL 39 -2.301 -2.481 -7.497 290 1HG2 VAL 39 1HG2 VAL 39 -0.858 0.284 -6.869 291 2HG2 VAL 39 2HG2 VAL 39 -1.771 0.654 -5.417 292 3HG2 VAL 39 3HG2 VAL 39 -2.130 1.502 -6.921 293 H LEU 40 H LEU 40 -5.802 -0.171 -7.956 294 HA LEU 40 HA LEU 40 -6.601 -2.838 -7.811 295 1HB LEU 40 1HB LEU 40 -8.321 -0.632 -8.914 296 2HB LEU 40 2HB LEU 40 -8.837 -2.074 -8.060 297 HG LEU 40 HG LEU 40 -7.416 0.315 -6.890 298 1HD1 LEU 40 1HD1 LEU 40 -9.915 0.369 -7.402 299 2HD1 LEU 40 2HD1 LEU 40 -9.415 0.763 -5.758 300 3HD1 LEU 40 3HD1 LEU 40 -10.081 -0.829 -6.120 301 1HD2 LEU 40 1HD2 LEU 40 -8.237 -1.314 -4.812 302 2HD2 LEU 40 2HD2 LEU 40 -6.580 -1.084 -5.370 303 3HD2 LEU 40 3HD2 LEU 40 -7.534 -2.438 -5.976 304 H ALA 41 H ALA 41 -6.438 -0.660 -10.597 305 HA ALA 41 HA ALA 41 -7.572 -2.395 -12.482 306 1HB ALA 41 1HB ALA 41 -6.734 -0.939 -14.150 307 2HB ALA 41 2HB ALA 41 -5.453 -0.356 -13.087 308 3HB ALA 41 3HB ALA 41 -7.133 0.070 -12.760 309 H ALA 42 H ALA 42 -4.186 -1.728 -11.787 310 HA ALA 42 HA ALA 42 -3.156 -3.715 -13.511 311 1HB ALA 42 1HB ALA 42 -2.082 -1.837 -11.541 312 2HB ALA 42 2HB ALA 42 -1.439 -2.331 -13.107 313 3HB ALA 42 3HB ALA 42 -1.163 -3.336 -11.684 314 H LEU 43 H LEU 43 -4.201 -3.721 -10.180 315 HA LEU 43 HA LEU 43 -2.979 -6.069 -9.303 316 1HB LEU 43 1HB LEU 43 -5.398 -4.547 -8.483 317 2HB LEU 43 2HB LEU 43 -5.188 -6.172 -7.870 318 HG LEU 43 HG LEU 43 -3.076 -4.079 -7.541 319 1HD1 LEU 43 1HD1 LEU 43 -5.506 -3.724 -6.491 320 2HD1 LEU 43 2HD1 LEU 43 -4.036 -3.321 -5.612 321 3HD1 LEU 43 3HD1 LEU 43 -4.857 -4.847 -5.297 322 1HD2 LEU 43 1HD2 LEU 43 -2.451 -5.619 -5.689 323 2HD2 LEU 43 2HD2 LEU 43 -2.289 -6.322 -7.297 324 3HD2 LEU 43 3HD2 LEU 43 -3.674 -6.742 -6.285 325 H ALA 44 H ALA 44 -5.769 -5.550 -11.281 326 HA ALA 44 HA ALA 44 -7.120 -7.944 -11.044 327 1HB ALA 44 1HB ALA 44 -7.157 -5.724 -12.801 328 2HB ALA 44 2HB ALA 44 -8.411 -6.933 -12.530 329 3HB ALA 44 3HB ALA 44 -7.194 -7.190 -13.780 330 H SER 45 H SER 45 -4.020 -7.417 -12.421 331 HA SER 45 HA SER 45 -4.025 -10.161 -13.418 332 1HB SER 45 1HB SER 45 -3.990 -8.885 -15.394 333 2HB SER 45 2HB SER 45 -2.878 -7.701 -14.706 334 HG SER 45 HG SER 45 -1.541 -8.906 -15.868 335 H LYS 46 H LYS 46 -2.786 -8.206 -11.102 336 HA LYS 46 HA LYS 46 -0.608 -10.004 -10.591 337 1HB LYS 46 1HB LYS 46 -0.037 -7.699 -12.032 338 2HB LYS 46 2HB LYS 46 0.396 -7.277 -10.381 339 1HG LYS 46 1HG LYS 46 1.404 -9.882 -10.969 340 2HG LYS 46 2HG LYS 46 1.880 -8.771 -12.255 341 1HD LYS 46 1HD LYS 46 2.335 -7.290 -9.990 342 2HD LYS 46 2HD LYS 46 2.766 -8.920 -9.471 343 1HE LYS 46 1HE LYS 46 3.776 -8.040 -12.111 344 2HE LYS 46 2HE LYS 46 4.486 -7.272 -10.691 345 1HZ LYS 46 1HZ LYS 46 5.632 -9.100 -10.220 346 2HZ LYS 46 2HZ LYS 46 5.206 -9.681 -11.750 347 3HZ LYS 46 3HZ LYS 46 4.285 -10.109 -10.399 348 H THR 47 H THR 47 0.316 -9.697 -8.436 349 HA THR 47 HA THR 47 -1.236 -7.973 -6.683 350 HB THR 47 HB THR 47 -0.777 -10.917 -6.198 351 HG1 THR 47 HG1 THR 47 -3.100 -10.930 -6.252 352 1HG2 THR 47 1HG2 THR 47 -2.107 -10.684 -4.203 353 2HG2 THR 47 2HG2 THR 47 -2.274 -8.951 -4.482 354 3HG2 THR 47 3HG2 THR 47 -0.692 -9.635 -4.107 355 HA PRO 48 HA PRO 48 3.030 -7.376 -5.359 356 1HB PRO 48 1HB PRO 48 2.595 -5.210 -3.807 357 2HB PRO 48 2HB PRO 48 2.653 -5.110 -5.570 358 1HG PRO 48 1HG PRO 48 0.285 -5.179 -3.751 359 2HG PRO 48 2HG PRO 48 0.550 -4.207 -5.208 360 1HD PRO 48 1HD PRO 48 -0.955 -6.487 -5.158 361 2HD PRO 48 2HD PRO 48 -0.120 -5.888 -6.602 362 H ASP 49 H ASP 49 4.181 -7.659 -3.392 363 HA ASP 49 HA ASP 49 2.760 -9.235 -1.444 364 1HB ASP 49 1HB ASP 49 5.662 -8.391 -1.577 365 2HB ASP 49 2HB ASP 49 4.997 -9.519 -0.400 366 H VAL 50 H VAL 50 3.826 -5.964 -1.732 367 HA VAL 50 HA VAL 50 2.667 -5.370 0.877 368 HB VAL 50 HB VAL 50 4.978 -5.606 1.466 369 1HG1 VAL 50 1HG1 VAL 50 5.570 -5.029 -1.097 370 2HG1 VAL 50 2HG1 VAL 50 6.748 -5.014 0.215 371 3HG1 VAL 50 3HG1 VAL 50 6.004 -3.508 -0.318 372 1HG2 VAL 50 1HG2 VAL 50 4.055 -2.761 1.229 373 2HG2 VAL 50 2HG2 VAL 50 5.578 -3.179 2.009 374 3HG2 VAL 50 3HG2 VAL 50 4.062 -3.811 2.645 375 H LEU 51 H LEU 51 0.989 -4.328 -0.167 376 HA LEU 51 HA LEU 51 1.545 -2.248 -2.102 377 1HB LEU 51 1HB LEU 51 -0.357 -3.734 -2.433 378 2HB LEU 51 2HB LEU 51 -1.053 -3.209 -0.912 379 HG LEU 51 HG LEU 51 -1.289 -0.922 -1.841 380 1HD1 LEU 51 1HD1 LEU 51 -0.741 -0.359 -4.012 381 2HD1 LEU 51 2HD1 LEU 51 -0.736 -2.042 -4.553 382 3HD1 LEU 51 3HD1 LEU 51 0.592 -1.426 -3.570 383 1HD2 LEU 51 1HD2 LEU 51 -2.724 -2.367 -3.895 384 2HD2 LEU 51 2HD2 LEU 51 -3.341 -1.497 -2.492 385 3HD2 LEU 51 3HD2 LEU 51 -2.838 -3.179 -2.336 386 H LEU 52 H LEU 52 0.890 -0.089 -1.910 387 HA LEU 52 HA LEU 52 0.352 0.930 0.786 388 1HB LEU 52 1HB LEU 52 2.575 1.745 -1.059 389 2HB LEU 52 2HB LEU 52 1.984 2.823 0.184 390 HG LEU 52 HG LEU 52 2.808 0.123 1.062 391 1HD1 LEU 52 1HD1 LEU 52 5.205 1.267 1.202 392 2HD1 LEU 52 2HD1 LEU 52 4.634 2.048 -0.274 393 3HD1 LEU 52 3HD1 LEU 52 4.713 0.289 -0.182 394 1HD2 LEU 52 1HD2 LEU 52 2.048 2.377 2.328 395 2HD2 LEU 52 2HD2 LEU 52 3.800 2.590 2.313 396 3HD2 LEU 52 3HD2 LEU 52 3.100 1.153 3.045 397 H SER 53 H SER 53 -1.397 2.300 0.677 398 HA SER 53 HA SER 53 -2.006 3.496 -1.946 399 1HB SER 53 1HB SER 53 -3.792 2.084 -1.436 400 2HB SER 53 2HB SER 53 -3.765 2.517 0.271 401 HG SER 53 HG SER 53 -5.424 3.670 -0.464 402 H ASP 54 H ASP 54 -2.605 5.606 -2.173 403 HA ASP 54 HA ASP 54 -1.544 7.463 -0.267 404 1HB ASP 54 1HB ASP 54 -1.432 7.824 -2.725 405 2HB ASP 54 2HB ASP 54 -3.176 8.028 -2.747 406 H ILE 55 H ILE 55 -4.526 5.946 -0.564 407 HA ILE 55 HA ILE 55 -6.616 6.341 0.225 408 HB ILE 55 HB ILE 55 -5.656 5.798 2.295 409 1HG1 ILE 55 1HG1 ILE 55 -6.811 8.396 3.163 410 2HG1 ILE 55 2HG1 ILE 55 -7.840 7.347 2.198 411 1HG2 ILE 55 1HG2 ILE 55 -3.636 7.148 2.135 412 2HG2 ILE 55 2HG2 ILE 55 -4.415 7.362 3.696 413 3HG2 ILE 55 3HG2 ILE 55 -4.575 8.604 2.459 414 1HD1 ILE 55 1HD1 ILE 55 -8.088 5.854 3.842 415 2HD1 ILE 55 2HD1 ILE 55 -7.693 7.238 4.860 416 3HD1 ILE 55 3HD1 ILE 55 -6.447 6.065 4.443 417 H ARG 56 H ARG 56 -7.132 7.903 -1.471 418 HA ARG 56 HA ARG 56 -8.500 10.109 -0.585 419 1HB ARG 56 1HB ARG 56 -6.135 10.937 -0.055 420 2HB ARG 56 2HB ARG 56 -5.911 11.067 -1.789 421 1HG ARG 56 1HG ARG 56 -6.522 13.207 -1.173 422 2HG ARG 56 2HG ARG 56 -8.040 12.508 -1.744 423 1HD ARG 56 1HD ARG 56 -8.470 11.890 0.695 424 2HD ARG 56 2HD ARG 56 -7.140 12.980 1.084 425 HE ARG 56 HE ARG 56 -9.185 14.147 -0.579 426 1HH1 ARG 56 1HH1 ARG 56 -8.138 13.539 2.696 427 2HH1 ARG 56 2HH1 ARG 56 -9.051 14.851 3.362 428 1HH2 ARG 56 1HH2 ARG 56 -10.387 15.871 0.298 429 2HH2 ARG 56 2HH2 ARG 56 -10.328 16.174 2.002 430 H MET 57 H MET 57 -9.710 8.847 -2.196 431 HA MET 57 HA MET 57 -9.676 10.193 -4.720 432 1HB MET 57 1HB MET 57 -7.962 8.126 -4.703 433 2HB MET 57 2HB MET 57 -9.431 7.273 -5.144 434 1HG MET 57 1HG MET 57 -8.649 9.750 -6.603 435 2HG MET 57 2HG MET 57 -7.899 8.205 -6.994 436 1HE MET 57 1HE MET 57 -9.201 7.100 -9.437 437 2HE MET 57 2HE MET 57 -8.525 8.716 -9.233 438 3HE MET 57 3HE MET 57 -10.114 8.511 -9.970 439 HA PRO 58 HA PRO 58 -13.443 7.244 -4.782 440 1HB PRO 58 1HB PRO 58 -13.723 5.316 -2.926 441 2HB PRO 58 2HB PRO 58 -12.765 5.078 -4.395 442 1HG PRO 58 1HG PRO 58 -11.843 5.787 -1.631 443 2HG PRO 58 2HG PRO 58 -11.189 4.578 -2.751 444 1HD PRO 58 1HD PRO 58 -10.076 7.024 -2.448 445 2HD PRO 58 2HD PRO 58 -10.061 6.157 -3.994 446 H GLY 59 H GLY 59 -15.332 6.507 -3.116 447 1HA GLY 59 1HA GLY 59 -16.276 8.844 -1.940 448 2HA GLY 59 2HA GLY 59 -16.895 7.235 -1.608 449 H MET 60 H MET 60 -15.159 5.935 -0.184 450 HA MET 60 HA MET 60 -15.104 7.317 2.318 451 1HB MET 60 1HB MET 60 -15.287 4.726 1.707 452 2HB MET 60 2HB MET 60 -13.546 4.808 1.940 453 1HG MET 60 1HG MET 60 -14.313 4.210 4.028 454 2HG MET 60 2HG MET 60 -14.124 5.957 4.171 455 1HE MET 60 1HE MET 60 -17.859 4.081 2.745 456 2HE MET 60 2HE MET 60 -17.529 3.212 4.243 457 3HE MET 60 3HE MET 60 -16.310 3.267 2.970 458 H ASP 61 H ASP 61 -13.701 8.939 0.798 459 HA ASP 61 HA ASP 61 -11.759 10.071 0.533 460 1HB ASP 61 1HB ASP 61 -11.650 8.882 3.190 461 2HB ASP 61 2HB ASP 61 -10.047 9.144 2.507 462 H GLY 62 H GLY 62 -10.418 7.111 1.903 463 1HA GLY 62 1HA GLY 62 -9.374 6.331 -0.703 464 2HA GLY 62 2HA GLY 62 -8.202 6.716 0.541 465 H LEU 63 H LEU 63 -9.857 5.620 2.719 466 HA LEU 63 HA LEU 63 -8.860 3.039 2.819 467 1HB LEU 63 1HB LEU 63 -11.419 3.931 4.149 468 2HB LEU 63 2HB LEU 63 -10.409 2.583 4.624 469 HG LEU 63 HG LEU 63 -8.611 4.551 4.873 470 1HD1 LEU 63 1HD1 LEU 63 -10.676 6.091 4.210 471 2HD1 LEU 63 2HD1 LEU 63 -9.434 6.613 5.348 472 3HD1 LEU 63 3HD1 LEU 63 -10.964 5.978 5.943 473 1HD2 LEU 63 1HD2 LEU 63 -8.954 4.446 7.213 474 2HD2 LEU 63 2HD2 LEU 63 -9.418 2.870 6.563 475 3HD2 LEU 63 3HD2 LEU 63 -10.659 4.036 7.010 476 H ALA 64 H ALA 64 -11.717 4.303 1.288 477 HA ALA 64 HA ALA 64 -13.202 1.976 0.892 478 1HB ALA 64 1HB ALA 64 -13.290 3.619 -1.460 479 2HB ALA 64 2HB ALA 64 -13.281 4.635 -0.019 480 3HB ALA 64 3HB ALA 64 -14.516 3.391 -0.212 481 H LEU 65 H LEU 65 -10.328 3.181 -0.675 482 HA LEU 65 HA LEU 65 -10.258 1.619 -2.974 483 1HB LEU 65 1HB LEU 65 -7.933 2.476 -1.250 484 2HB LEU 65 2HB LEU 65 -7.831 1.950 -2.920 485 HG LEU 65 HG LEU 65 -9.523 4.308 -2.194 486 1HD1 LEU 65 1HD1 LEU 65 -6.813 4.213 -1.607 487 2HD1 LEU 65 2HD1 LEU 65 -7.816 5.653 -1.762 488 3HD1 LEU 65 3HD1 LEU 65 -6.909 5.059 -3.150 489 1HD2 LEU 65 1HD2 LEU 65 -9.870 3.635 -4.400 490 2HD2 LEU 65 2HD2 LEU 65 -8.166 3.259 -4.650 491 3HD2 LEU 65 3HD2 LEU 65 -8.691 4.937 -4.540 492 H LEU 66 H LEU 66 -9.109 0.907 0.296 493 HA LEU 66 HA LEU 66 -7.970 -1.597 -0.249 494 1HB LEU 66 1HB LEU 66 -9.323 -0.791 2.325 495 2HB LEU 66 2HB LEU 66 -8.053 -1.985 2.121 496 HG LEU 66 HG LEU 66 -7.693 0.969 1.614 497 1HD1 LEU 66 1HD1 LEU 66 -6.170 0.395 3.781 498 2HD1 LEU 66 2HD1 LEU 66 -7.584 -0.617 4.076 499 3HD1 LEU 66 3HD1 LEU 66 -7.776 1.119 3.843 500 1HD2 LEU 66 1HD2 LEU 66 -6.031 -0.022 0.386 501 2HD2 LEU 66 2HD2 LEU 66 -5.929 -1.424 1.452 502 3HD2 LEU 66 3HD2 LEU 66 -5.241 0.117 1.957 503 H LYS 67 H LYS 67 -11.232 -0.667 0.731 504 HA LYS 67 HA LYS 67 -12.417 -3.115 1.112 505 1HB LYS 67 1HB LYS 67 -13.658 -0.749 -0.294 506 2HB LYS 67 2HB LYS 67 -14.524 -2.047 0.522 507 1HG LYS 67 1HG LYS 67 -13.033 -1.248 2.564 508 2HG LYS 67 2HG LYS 67 -13.056 0.263 1.657 509 1HD LYS 67 1HD LYS 67 -15.197 0.666 2.180 510 2HD LYS 67 2HD LYS 67 -15.678 -1.001 1.854 511 1HE LYS 67 1HE LYS 67 -14.991 -1.702 4.027 512 2HE LYS 67 2HE LYS 67 -14.219 -0.151 4.346 513 1HZ LYS 67 1HZ LYS 67 -17.059 -0.084 3.713 514 2HZ LYS 67 2HZ LYS 67 -16.177 0.828 4.833 515 3HZ LYS 67 3HZ LYS 67 -16.640 -0.755 5.209 516 H GLN 68 H GLN 68 -11.803 -1.458 -1.950 517 HA GLN 68 HA GLN 68 -13.143 -3.373 -3.570 518 1HB GLN 68 1HB GLN 68 -10.880 -1.672 -4.571 519 2HB GLN 68 2HB GLN 68 -12.310 -2.213 -5.435 520 1HG GLN 68 1HG GLN 68 -12.533 -0.315 -3.135 521 2HG GLN 68 2HG GLN 68 -12.120 0.253 -4.751 522 1HE2 GLN 68 1HE2 GLN 68 -13.695 0.553 -6.190 523 2HE2 GLN 68 2HE2 GLN 68 -15.354 0.140 -5.947 524 H ILE 69 H ILE 69 -9.879 -2.968 -2.402 525 HA ILE 69 HA ILE 69 -8.578 -4.843 -4.012 526 HB ILE 69 HB ILE 69 -7.919 -3.945 -1.214 527 1HG1 ILE 69 1HG1 ILE 69 -6.694 -3.016 -3.808 528 2HG1 ILE 69 2HG1 ILE 69 -8.090 -2.224 -3.089 529 1HG2 ILE 69 1HG2 ILE 69 -5.539 -4.568 -2.114 530 2HG2 ILE 69 2HG2 ILE 69 -6.449 -5.665 -3.152 531 3HG2 ILE 69 3HG2 ILE 69 -6.579 -5.798 -1.398 532 1HD1 ILE 69 1HD1 ILE 69 -5.357 -1.811 -2.539 533 2HD1 ILE 69 2HD1 ILE 69 -6.095 -2.496 -1.092 534 3HD1 ILE 69 3HD1 ILE 69 -6.755 -1.025 -1.806 535 H LYS 70 H LYS 70 -10.209 -5.214 -0.931 536 HA LYS 70 HA LYS 70 -9.480 -7.952 -0.621 537 1HB LYS 70 1HB LYS 70 -10.936 -7.938 1.312 538 2HB LYS 70 2HB LYS 70 -9.958 -6.479 1.288 539 1HG LYS 70 1HG LYS 70 -11.880 -5.420 1.674 540 2HG LYS 70 2HG LYS 70 -12.173 -5.666 -0.045 541 1HD LYS 70 1HD LYS 70 -14.127 -6.413 1.032 542 2HD LYS 70 2HD LYS 70 -13.242 -7.875 0.597 543 1HE LYS 70 1HE LYS 70 -12.261 -7.297 3.093 544 2HE LYS 70 2HE LYS 70 -13.949 -6.814 3.226 545 1HZ LYS 70 1HZ LYS 70 -14.301 -8.965 3.636 546 2HZ LYS 70 2HZ LYS 70 -12.806 -9.447 3.010 547 3HZ LYS 70 3HZ LYS 70 -14.115 -9.196 1.970 548 H GLN 71 H GLN 71 -12.054 -6.277 -2.183 549 HA GLN 71 HA GLN 71 -13.776 -8.567 -2.298 550 1HB GLN 71 1HB GLN 71 -15.109 -6.720 -2.272 551 2HB GLN 71 2HB GLN 71 -13.927 -5.725 -3.098 552 1HG GLN 71 1HG GLN 71 -14.807 -7.583 -5.004 553 2HG GLN 71 2HG GLN 71 -16.245 -7.067 -4.133 554 1HE2 GLN 71 1HE2 GLN 71 -13.324 -5.200 -4.781 555 2HE2 GLN 71 2HE2 GLN 71 -14.094 -3.994 -5.748 556 H ARG 72 H ARG 72 -11.519 -6.923 -4.382 557 HA ARG 72 HA ARG 72 -12.107 -8.729 -6.586 558 1HB ARG 72 1HB ARG 72 -10.409 -6.267 -6.325 559 2HB ARG 72 2HB ARG 72 -10.266 -7.323 -7.724 560 1HG ARG 72 1HG ARG 72 -12.904 -6.998 -7.751 561 2HG ARG 72 2HG ARG 72 -12.461 -5.496 -6.935 562 1HD ARG 72 1HD ARG 72 -12.601 -5.186 -9.355 563 2HD ARG 72 2HD ARG 72 -10.959 -4.930 -8.768 564 HE ARG 72 HE ARG 72 -10.269 -6.776 -9.953 565 1HH1 ARG 72 1HH1 ARG 72 -13.759 -6.656 -9.925 566 2HH1 ARG 72 2HH1 ARG 72 -13.932 -7.893 -11.124 567 1HH2 ARG 72 1HH2 ARG 72 -10.499 -8.401 -11.528 568 2HH2 ARG 72 2HH2 ARG 72 -12.084 -8.884 -12.033 569 H HIS 73 H HIS 73 -9.736 -8.281 -4.109 570 HA HIS 73 HA HIS 73 -8.201 -10.523 -5.246 571 1HB HIS 73 1HB HIS 73 -6.984 -8.320 -3.577 572 2HB HIS 73 2HB HIS 73 -6.152 -9.529 -4.558 573 HD1 HIS 73 HD1 HIS 73 -6.844 -9.344 -7.240 574 HD2 HIS 73 HD2 HIS 73 -7.300 -5.964 -4.873 575 HE1 HIS 73 HE1 HIS 73 -7.047 -7.425 -8.850 576 HE2 HIS 73 HE2 HIS 73 -7.194 -5.374 -7.391 577 HA PRO 74 HA PRO 74 -8.806 -12.983 -1.688 578 1HB PRO 74 1HB PRO 74 -6.147 -13.681 -1.117 579 2HB PRO 74 2HB PRO 74 -7.250 -14.542 -2.192 580 1HG PRO 74 1HG PRO 74 -5.131 -12.551 -2.850 581 2HG PRO 74 2HG PRO 74 -5.635 -13.997 -3.745 582 1HD PRO 74 1HD PRO 74 -6.356 -11.555 -4.557 583 2HD PRO 74 2HD PRO 74 -7.481 -12.926 -4.675 584 H MET 75 H MET 75 -5.580 -11.915 -0.735 585 HA MET 75 HA MET 75 -6.737 -10.170 1.303 586 1HB MET 75 1HB MET 75 -4.881 -12.481 1.901 587 2HB MET 75 2HB MET 75 -5.321 -11.230 3.055 588 1HG MET 75 1HG MET 75 -7.234 -12.234 3.558 589 2HG MET 75 2HG MET 75 -7.655 -12.456 1.861 590 1HE MET 75 1HE MET 75 -8.917 -14.256 2.681 591 2HE MET 75 2HE MET 75 -8.351 -15.783 3.355 592 3HE MET 75 3HE MET 75 -8.289 -15.512 1.614 593 H LEU 76 H LEU 76 -5.494 -9.144 -0.832 594 HA LEU 76 HA LEU 76 -2.704 -8.921 -0.702 595 1HB LEU 76 1HB LEU 76 -3.852 -8.222 -2.681 596 2HB LEU 76 2HB LEU 76 -4.789 -7.039 -1.788 597 HG LEU 76 HG LEU 76 -2.718 -5.756 -1.360 598 1HD1 LEU 76 1HD1 LEU 76 -1.540 -8.146 -2.556 599 2HD1 LEU 76 2HD1 LEU 76 -0.821 -6.938 -1.491 600 3HD1 LEU 76 3HD1 LEU 76 -0.925 -6.636 -3.225 601 1HD2 LEU 76 1HD2 LEU 76 -2.387 -5.048 -3.746 602 2HD2 LEU 76 2HD2 LEU 76 -4.063 -5.077 -3.195 603 3HD2 LEU 76 3HD2 LEU 76 -3.449 -6.381 -4.205 604 HA PRO 77 HA PRO 77 -2.619 -6.561 3.151 605 1HB PRO 77 1HB PRO 77 0.112 -6.421 3.282 606 2HB PRO 77 2HB PRO 77 -0.823 -7.812 3.842 607 1HG PRO 77 1HG PRO 77 0.636 -7.424 1.259 608 2HG PRO 77 2HG PRO 77 0.552 -8.862 2.293 609 1HD PRO 77 1HD PRO 77 -0.922 -8.627 0.051 610 2HD PRO 77 2HD PRO 77 -1.526 -9.476 1.490 611 H VAL 78 H VAL 78 -3.144 -4.466 2.924 612 HA VAL 78 HA VAL 78 -1.519 -2.810 1.120 613 HB VAL 78 HB VAL 78 -4.177 -1.959 2.235 614 1HG1 VAL 78 1HG1 VAL 78 -2.356 -1.081 0.041 615 2HG1 VAL 78 2HG1 VAL 78 -3.164 -0.125 1.284 616 3HG1 VAL 78 3HG1 VAL 78 -4.086 -0.760 -0.079 617 1HG2 VAL 78 1HG2 VAL 78 -3.903 -4.209 0.656 618 2HG2 VAL 78 2HG2 VAL 78 -4.255 -2.936 -0.510 619 3HG2 VAL 78 3HG2 VAL 78 -5.362 -3.237 0.829 620 H ILE 79 H ILE 79 -0.955 -0.705 1.739 621 HA ILE 79 HA ILE 79 -0.954 -0.186 4.630 622 HB ILE 79 HB ILE 79 1.388 0.354 2.824 623 1HG1 ILE 79 1HG1 ILE 79 1.725 -1.686 4.897 624 2HG1 ILE 79 2HG1 ILE 79 0.603 -2.151 3.624 625 1HG2 ILE 79 1HG2 ILE 79 1.811 1.757 4.535 626 2HG2 ILE 79 2HG2 ILE 79 2.364 0.284 5.329 627 3HG2 ILE 79 3HG2 ILE 79 0.742 0.895 5.642 628 1HD1 ILE 79 1HD1 ILE 79 2.878 -0.979 2.413 629 2HD1 ILE 79 2HD1 ILE 79 2.295 -2.641 2.306 630 3HD1 ILE 79 3HD1 ILE 79 3.419 -2.181 3.585 631 H ILE 80 H ILE 80 -1.964 1.655 4.974 632 HA ILE 80 HA ILE 80 -2.181 3.608 2.830 633 HB ILE 80 HB ILE 80 -3.502 3.616 5.541 634 1HG1 ILE 80 1HG1 ILE 80 -4.075 1.573 4.308 635 2HG1 ILE 80 2HG1 ILE 80 -5.457 2.652 4.414 636 1HG2 ILE 80 1HG2 ILE 80 -4.079 5.662 4.915 637 2HG2 ILE 80 2HG2 ILE 80 -5.153 4.878 3.761 638 3HG2 ILE 80 3HG2 ILE 80 -3.548 5.404 3.255 639 1HD1 ILE 80 1HD1 ILE 80 -3.997 1.701 2.077 640 2HD1 ILE 80 2HD1 ILE 80 -4.375 3.424 2.058 641 3HD1 ILE 80 3HD1 ILE 80 -5.669 2.238 2.238 642 H MET 81 H MET 81 -1.508 5.731 2.954 643 HA MET 81 HA MET 81 0.563 6.267 4.945 644 1HB MET 81 1HB MET 81 0.810 8.392 3.379 645 2HB MET 81 2HB MET 81 1.535 6.845 2.984 646 1HG MET 81 1HG MET 81 -1.145 7.040 1.930 647 2HG MET 81 2HG MET 81 -0.138 8.379 1.394 648 1HE MET 81 1HE MET 81 2.208 7.886 -0.291 649 2HE MET 81 2HE MET 81 2.986 6.352 0.079 650 3HE MET 81 3HE MET 81 2.561 7.463 1.379 651 H THR 82 H THR 82 -2.705 6.949 4.566 652 HA THR 82 HA THR 82 -2.535 9.030 6.596 653 HB THR 82 HB THR 82 -4.276 9.522 4.195 654 HG1 THR 82 HG1 THR 82 -2.646 10.272 3.119 655 1HG2 THR 82 1HG2 THR 82 -3.453 11.071 6.574 656 2HG2 THR 82 2HG2 THR 82 -4.989 11.041 5.710 657 3HG2 THR 82 3HG2 THR 82 -3.624 11.943 5.051 658 H ALA 83 H ALA 83 -4.032 8.752 8.135 659 HA ALA 83 HA ALA 83 -6.344 7.052 7.464 660 1HB ALA 83 1HB ALA 83 -5.631 7.252 10.302 661 2HB ALA 83 2HB ALA 83 -4.447 6.430 9.284 662 3HB ALA 83 3HB ALA 83 -6.116 5.855 9.338 663 H HIS 84 H HIS 84 -7.614 8.838 6.862 664 HA HIS 84 HA HIS 84 -8.030 11.108 8.505 665 1HB HIS 84 1HB HIS 84 -10.015 10.019 6.506 666 2HB HIS 84 2HB HIS 84 -9.793 11.690 7.006 667 HD1 HIS 84 HD1 HIS 84 -7.507 12.832 6.171 668 HD2 HIS 84 HD2 HIS 84 -8.588 9.280 4.304 669 HE1 HIS 84 HE1 HIS 84 -6.153 12.745 4.055 670 HE2 HIS 84 HE2 HIS 84 -6.839 10.597 2.931 671 H SER 85 H SER 85 -10.877 11.276 8.565 672 HA SER 85 HA SER 85 -11.361 9.785 10.990 673 1HB SER 85 1HB SER 85 -12.108 12.282 10.117 674 2HB SER 85 2HB SER 85 -13.595 11.354 9.922 675 HG SER 85 HG SER 85 -13.173 12.375 12.048 676 H ASP 86 H ASP 86 -11.205 8.209 8.581 677 HA ASP 86 HA ASP 86 -13.931 7.104 8.566 678 1HB ASP 86 1HB ASP 86 -11.995 7.414 6.272 679 2HB ASP 86 2HB ASP 86 -13.365 6.310 6.208 680 H LEU 87 H LEU 87 -11.544 6.524 10.203 681 HA LEU 87 HA LEU 87 -10.060 4.345 9.575 682 1HB LEU 87 1HB LEU 87 -11.001 5.589 12.006 683 2HB LEU 87 2HB LEU 87 -10.848 3.856 12.209 684 HG LEU 87 HG LEU 87 -8.815 5.020 12.901 685 1HD1 LEU 87 1HD1 LEU 87 -7.981 3.669 10.397 686 2HD1 LEU 87 2HD1 LEU 87 -8.919 2.742 11.569 687 3HD1 LEU 87 3HD1 LEU 87 -7.386 3.473 12.046 688 1HD2 LEU 87 1HD2 LEU 87 -7.971 5.728 10.189 689 2HD2 LEU 87 2HD2 LEU 87 -7.772 6.601 11.708 690 3HD2 LEU 87 3HD2 LEU 87 -9.291 6.713 10.820 691 H ASP 88 H ASP 88 -13.480 4.362 9.994 692 HA ASP 88 HA ASP 88 -14.100 1.841 10.839 693 1HB ASP 88 1HB ASP 88 -15.685 3.714 10.146 694 2HB ASP 88 2HB ASP 88 -15.508 3.119 8.497 695 H ALA 89 H ALA 89 -13.284 2.779 7.497 696 HA ALA 89 HA ALA 89 -13.509 0.122 6.510 697 1HB ALA 89 1HB ALA 89 -12.297 2.608 5.343 698 2HB ALA 89 2HB ALA 89 -13.849 1.875 4.954 699 3HB ALA 89 3HB ALA 89 -12.352 1.068 4.488 700 H ALA 90 H ALA 90 -11.048 1.898 8.112 701 HA ALA 90 HA ALA 90 -8.781 0.461 7.197 702 1HB ALA 90 1HB ALA 90 -7.566 1.545 8.888 703 2HB ALA 90 2HB ALA 90 -8.986 1.712 9.918 704 3HB ALA 90 3HB ALA 90 -8.836 2.693 8.464 705 H VAL 91 H VAL 91 -10.818 0.168 10.093 706 HA VAL 91 HA VAL 91 -9.499 -1.979 11.266 707 HB VAL 91 HB VAL 91 -12.474 -1.563 11.431 708 1HG1 VAL 91 1HG1 VAL 91 -10.500 -3.208 12.808 709 2HG1 VAL 91 2HG1 VAL 91 -12.260 -3.342 12.768 710 3HG1 VAL 91 3HG1 VAL 91 -11.486 -2.243 13.909 711 1HG2 VAL 91 1HG2 VAL 91 -11.975 0.521 12.116 712 2HG2 VAL 91 2HG2 VAL 91 -10.270 0.140 12.355 713 3HG2 VAL 91 3HG2 VAL 91 -11.449 -0.274 13.600 714 H SER 92 H SER 92 -12.270 -1.992 9.045 715 HA SER 92 HA SER 92 -12.593 -4.778 8.919 716 1HB SER 92 1HB SER 92 -13.437 -4.038 6.468 717 2HB SER 92 2HB SER 92 -14.395 -3.776 7.924 718 HG SER 92 HG SER 92 -12.556 -1.862 6.943 719 H ALA 93 H ALA 93 -10.375 -2.593 7.380 720 HA ALA 93 HA ALA 93 -9.483 -4.162 5.271 721 1HB ALA 93 1HB ALA 93 -8.820 -1.702 6.348 722 2HB ALA 93 2HB ALA 93 -8.141 -2.435 4.894 723 3HB ALA 93 3HB ALA 93 -7.336 -2.648 6.451 724 H TYR 94 H TYR 94 -8.513 -4.106 8.630 725 HA TYR 94 HA TYR 94 -6.302 -5.827 8.433 726 1HB TYR 94 1HB TYR 94 -8.178 -5.591 10.792 727 2HB TYR 94 2HB TYR 94 -6.504 -6.135 10.822 728 HD1 TYR 94 HD1 TYR 94 -4.951 -4.237 9.466 729 HD2 TYR 94 HD2 TYR 94 -8.446 -3.539 11.792 730 HE1 TYR 94 HE1 TYR 94 -4.210 -1.933 9.882 731 HE2 TYR 94 HE2 TYR 94 -7.709 -1.230 12.209 732 HH TYR 94 HH TYR 94 -5.250 -0.054 12.224 733 H GLN 95 H GLN 95 -9.665 -6.399 8.230 734 HA GLN 95 HA GLN 95 -9.594 -9.161 8.980 735 1HB GLN 95 1HB GLN 95 -11.843 -9.060 8.872 736 2HB GLN 95 2HB GLN 95 -11.595 -7.329 8.739 737 1HG GLN 95 1HG GLN 95 -11.452 -8.079 6.131 738 2HG GLN 95 2HG GLN 95 -12.594 -9.255 6.768 739 1HE2 GLN 95 1HE2 GLN 95 -12.599 -6.646 5.072 740 2HE2 GLN 95 2HE2 GLN 95 -13.976 -5.802 5.691 741 H GLN 96 H GLN 96 -9.586 -7.398 5.912 742 HA GLN 96 HA GLN 96 -9.570 -9.789 4.349 743 1HB GLN 96 1HB GLN 96 -9.370 -8.367 2.432 744 2HB GLN 96 2HB GLN 96 -10.526 -7.651 3.544 745 1HG GLN 96 1HG GLN 96 -8.075 -6.535 4.239 746 2HG GLN 96 2HG GLN 96 -8.083 -6.569 2.479 747 1HE2 GLN 96 1HE2 GLN 96 -8.277 -4.356 2.269 748 2HE2 GLN 96 2HE2 GLN 96 -9.725 -3.503 2.665 749 H GLY 97 H GLY 97 -7.155 -8.082 6.034 750 1HA GLY 97 1HA GLY 97 -5.049 -9.404 6.177 751 2HA GLY 97 2HA GLY 97 -5.088 -9.455 4.423 752 H ALA 98 H ALA 98 -6.088 -6.451 5.706 753 HA ALA 98 HA ALA 98 -4.079 -4.984 4.467 754 1HB ALA 98 1HB ALA 98 -6.044 -3.828 5.037 755 2HB ALA 98 2HB ALA 98 -4.792 -3.135 6.068 756 3HB ALA 98 3HB ALA 98 -5.928 -4.306 6.729 757 H PHE 99 H PHE 99 -2.147 -4.052 5.164 758 HA PHE 99 HA PHE 99 -0.791 -5.476 7.235 759 1HB PHE 99 1HB PHE 99 0.383 -4.765 5.187 760 2HB PHE 99 2HB PHE 99 0.139 -3.081 5.640 761 HD1 PHE 99 HD1 PHE 99 1.569 -6.231 7.028 762 HD2 PHE 99 HD2 PHE 99 1.836 -1.993 6.752 763 HE1 PHE 99 HE1 PHE 99 3.662 -6.281 8.319 764 HE2 PHE 99 HE2 PHE 99 3.933 -2.036 8.037 765 HZ PHE 99 HZ PHE 99 4.847 -4.183 8.824 766 H ASP 100 H ASP 100 -1.615 -2.028 6.773 767 HA ASP 100 HA ASP 100 -2.529 -1.543 9.333 768 1HB ASP 100 1HB ASP 100 0.138 -2.107 9.583 769 2HB ASP 100 2HB ASP 100 0.163 -0.355 9.439 770 H TYR 101 H TYR 101 -1.582 0.973 9.945 771 HA TYR 101 HA TYR 101 -2.037 2.529 7.492 772 1HB TYR 101 1HB TYR 101 -3.601 2.538 10.004 773 2HB TYR 101 2HB TYR 101 -3.196 4.129 9.364 774 HD1 TYR 101 HD1 TYR 101 -4.756 0.884 8.409 775 HD2 TYR 101 HD2 TYR 101 -4.435 5.056 7.633 776 HE1 TYR 101 HE1 TYR 101 -6.595 0.721 6.787 777 HE2 TYR 101 HE2 TYR 101 -6.275 4.904 6.012 778 HH TYR 101 HH TYR 101 -8.070 1.901 5.549 779 H LEU 102 H LEU 102 -0.399 3.828 7.127 780 HA LEU 102 HA LEU 102 1.325 4.636 9.355 781 1HB LEU 102 1HB LEU 102 2.485 3.486 7.596 782 2HB LEU 102 2HB LEU 102 1.772 4.518 6.375 783 HG LEU 102 HG LEU 102 3.054 6.404 7.757 784 1HD1 LEU 102 1HD1 LEU 102 4.171 3.870 8.698 785 2HD1 LEU 102 2HD1 LEU 102 4.264 5.486 9.398 786 3HD1 LEU 102 3HD1 LEU 102 5.373 5.018 8.108 787 1HD2 LEU 102 1HD2 LEU 102 4.809 4.785 5.987 788 2HD2 LEU 102 2HD2 LEU 102 4.478 6.517 5.980 789 3HD2 LEU 102 3HD2 LEU 102 3.297 5.392 5.313 790 HA PRO 103 HA PRO 103 -0.371 8.753 9.392 791 1HB PRO 103 1HB PRO 103 2.499 9.408 9.947 792 2HB PRO 103 2HB PRO 103 1.041 9.968 10.775 793 1HG PRO 103 1HG PRO 103 2.539 8.081 11.870 794 2HG PRO 103 2HG PRO 103 0.770 7.959 11.923 795 1HD PRO 103 1HD PRO 103 2.724 6.483 10.216 796 2HD PRO 103 2HD PRO 103 1.198 5.922 10.931 797 H LYS 104 H LYS 104 0.072 10.899 8.331 798 HA LYS 104 HA LYS 104 0.242 10.746 5.631 799 1HB LYS 104 1HB LYS 104 -0.452 12.767 6.874 800 2HB LYS 104 2HB LYS 104 1.238 13.107 7.221 801 1HG LYS 104 1HG LYS 104 0.344 14.426 5.339 802 2HG LYS 104 2HG LYS 104 1.717 13.415 4.887 803 1HD LYS 104 1HD LYS 104 -0.690 11.923 4.505 804 2HD LYS 104 2HD LYS 104 -0.871 13.495 3.729 805 1HE LYS 104 1HE LYS 104 0.804 13.099 2.220 806 2HE LYS 104 2HE LYS 104 1.672 12.013 3.301 807 1HZ LYS 104 1HZ LYS 104 0.221 10.257 2.805 808 2HZ LYS 104 2HZ LYS 104 0.546 10.972 1.306 809 3HZ LYS 104 3HZ LYS 104 -0.924 11.276 2.089 810 HA PRO 105 HA PRO 105 5.109 11.823 5.942 811 1HB PRO 105 1HB PRO 105 5.476 9.808 8.125 812 2HB PRO 105 2HB PRO 105 6.411 11.267 7.779 813 1HG PRO 105 1HG PRO 105 4.632 11.220 9.771 814 2HG PRO 105 2HG PRO 105 4.850 12.665 8.767 815 1HD PRO 105 1HD PRO 105 2.629 10.705 8.793 816 2HD PRO 105 2HD PRO 105 2.614 12.421 8.367 817 H PHE 106 H PHE 106 6.729 10.307 5.030 818 HA PHE 106 HA PHE 106 6.100 7.553 4.715 819 1HB PHE 106 1HB PHE 106 4.419 8.977 3.270 820 2HB PHE 106 2HB PHE 106 5.765 9.064 2.149 821 HD1 PHE 106 HD1 PHE 106 6.333 7.253 0.779 822 HD2 PHE 106 HD2 PHE 106 3.448 6.745 3.883 823 HE1 PHE 106 HE1 PHE 106 5.693 5.081 -0.176 824 HE2 PHE 106 HE2 PHE 106 2.819 4.566 2.930 825 HZ PHE 106 HZ PHE 106 3.938 3.738 0.894 826 H ASP 107 H ASP 107 7.347 9.418 1.986 827 HA ASP 107 HA ASP 107 9.356 9.208 0.906 828 1HB ASP 107 1HB ASP 107 11.211 10.139 2.133 829 2HB ASP 107 2HB ASP 107 9.747 10.989 2.615 830 H ILE 108 H ILE 108 11.819 8.277 1.434 831 HA ILE 108 HA ILE 108 11.435 5.478 1.415 832 HB ILE 108 HB ILE 108 13.704 7.288 1.094 833 1HG1 ILE 108 1HG1 ILE 108 14.189 5.949 -0.790 834 2HG1 ILE 108 2HG1 ILE 108 13.293 4.581 -0.140 835 1HG2 ILE 108 1HG2 ILE 108 14.795 6.141 2.809 836 2HG2 ILE 108 2HG2 ILE 108 15.330 5.331 1.337 837 3HG2 ILE 108 3HG2 ILE 108 14.085 4.596 2.341 838 1HD1 ILE 108 1HD1 ILE 108 12.177 5.765 -2.002 839 2HD1 ILE 108 2HD1 ILE 108 12.020 7.173 -0.957 840 3HD1 ILE 108 3HD1 ILE 108 11.225 5.664 -0.531 841 H ASP 109 H ASP 109 12.878 7.643 3.754 842 HA ASP 109 HA ASP 109 13.725 5.843 5.635 843 1HB ASP 109 1HB ASP 109 13.899 8.424 5.595 844 2HB ASP 109 2HB ASP 109 12.375 8.392 6.478 845 H GLU 110 H GLU 110 10.512 7.430 5.672 846 HA GLU 110 HA GLU 110 9.602 5.706 7.738 847 1HB GLU 110 1HB GLU 110 7.958 7.612 6.086 848 2HB GLU 110 2HB GLU 110 7.539 6.936 7.651 849 1HG GLU 110 1HG GLU 110 10.045 8.507 7.433 850 2HG GLU 110 2HG GLU 110 8.509 9.371 7.385 851 H ALA 111 H ALA 111 9.357 5.635 4.253 852 HA ALA 111 HA ALA 111 7.196 3.719 4.324 853 1HB ALA 111 1HB ALA 111 8.829 4.728 2.012 854 2HB ALA 111 2HB ALA 111 7.217 5.264 2.492 855 3HB ALA 111 3HB ALA 111 7.460 3.629 1.878 856 H VAL 112 H VAL 112 10.607 3.667 3.275 857 HA VAL 112 HA VAL 112 10.721 0.918 2.792 858 HB VAL 112 HB VAL 112 13.002 2.631 3.766 859 1HG1 VAL 112 1HG1 VAL 112 12.851 -0.105 3.359 860 2HG1 VAL 112 2HG1 VAL 112 14.326 0.865 3.441 861 3HG1 VAL 112 3HG1 VAL 112 13.590 0.508 1.877 862 1HG2 VAL 112 1HG2 VAL 112 11.582 2.509 1.193 863 2HG2 VAL 112 2HG2 VAL 112 13.340 2.420 1.084 864 3HG2 VAL 112 3HG2 VAL 112 12.573 3.792 1.883 865 H ALA 113 H ALA 113 10.969 2.781 5.699 866 HA ALA 113 HA ALA 113 12.051 0.860 7.437 867 1HB ALA 113 1HB ALA 113 10.882 3.450 7.616 868 2HB ALA 113 2HB ALA 113 11.882 2.615 8.807 869 3HB ALA 113 3HB ALA 113 10.128 2.418 8.825 870 H LEU 114 H LEU 114 8.720 1.781 6.771 871 HA LEU 114 HA LEU 114 7.574 -0.330 8.280 872 1HB LEU 114 1HB LEU 114 6.510 1.855 7.976 873 2HB LEU 114 2HB LEU 114 6.335 1.524 6.264 874 HG LEU 114 HG LEU 114 4.964 -0.550 7.087 875 1HD1 LEU 114 1HD1 LEU 114 5.457 0.892 9.547 876 2HD1 LEU 114 2HD1 LEU 114 4.739 -0.700 9.297 877 3HD1 LEU 114 3HD1 LEU 114 3.730 0.743 9.217 878 1HD2 LEU 114 1HD2 LEU 114 3.971 2.292 7.151 879 2HD2 LEU 114 2HD2 LEU 114 2.932 0.870 7.096 880 3HD2 LEU 114 3HD2 LEU 114 4.027 1.214 5.757 881 H VAL 115 H VAL 115 8.693 -0.112 5.015 882 HA VAL 115 HA VAL 115 6.942 -2.155 4.022 883 HB VAL 115 HB VAL 115 8.050 -0.335 2.603 884 1HG1 VAL 115 1HG1 VAL 115 10.360 -0.852 3.426 885 2HG1 VAL 115 2HG1 VAL 115 10.198 -0.758 1.677 886 3HG1 VAL 115 3HG1 VAL 115 10.301 -2.329 2.472 887 1HG2 VAL 115 1HG2 VAL 115 7.517 -3.149 1.979 888 2HG2 VAL 115 2HG2 VAL 115 8.516 -2.312 0.793 889 3HG2 VAL 115 3HG2 VAL 115 6.921 -1.680 1.204 890 H GLU 116 H GLU 116 10.368 -2.060 4.957 891 HA GLU 116 HA GLU 116 10.949 -4.735 4.329 892 1HB GLU 116 1HB GLU 116 12.189 -2.876 6.360 893 2HB GLU 116 2HB GLU 116 12.850 -4.453 5.947 894 1HG GLU 116 1HG GLU 116 13.061 -3.700 3.600 895 2HG GLU 116 2HG GLU 116 12.509 -2.102 4.101 896 H ARG 117 H ARG 117 9.863 -3.235 7.354 897 HA ARG 117 HA ARG 117 9.912 -5.569 8.917 898 1HB ARG 117 1HB ARG 117 8.506 -4.356 10.480 899 2HB ARG 117 2HB ARG 117 9.748 -3.284 9.850 900 1HG ARG 117 1HG ARG 117 8.261 -2.028 8.649 901 2HG ARG 117 2HG ARG 117 7.094 -3.341 8.504 902 1HD ARG 117 1HD ARG 117 7.701 -1.750 10.994 903 2HD ARG 117 2HD ARG 117 6.258 -1.616 9.993 904 HE ARG 117 HE ARG 117 6.767 -4.243 11.098 905 1HH1 ARG 117 1HH1 ARG 117 5.105 -1.192 11.471 906 2HH1 ARG 117 2HH1 ARG 117 3.929 -1.831 12.570 907 1HH2 ARG 117 1HH2 ARG 117 5.228 -5.076 12.545 908 2HH2 ARG 117 2HH2 ARG 117 4.000 -4.033 13.182 909 H ALA 118 H ALA 118 7.691 -4.405 6.554 910 HA ALA 118 HA ALA 118 5.455 -5.965 7.352 911 1HB ALA 118 1HB ALA 118 4.559 -5.390 5.105 912 2HB ALA 118 2HB ALA 118 6.097 -4.608 4.741 913 3HB ALA 118 3HB ALA 118 5.080 -3.990 6.042 914 H ILE 119 H ILE 119 7.823 -6.308 4.717 915 HA ILE 119 HA ILE 119 6.867 -8.829 3.865 916 HB ILE 119 HB ILE 119 9.639 -7.722 3.468 917 1HG1 ILE 119 1HG1 ILE 119 7.599 -7.396 1.349 918 2HG1 ILE 119 2HG1 ILE 119 7.399 -6.376 2.770 919 1HG2 ILE 119 1HG2 ILE 119 9.460 -9.033 1.328 920 2HG2 ILE 119 2HG2 ILE 119 8.008 -9.779 1.999 921 3HG2 ILE 119 3HG2 ILE 119 9.563 -9.994 2.804 922 1HD1 ILE 119 1HD1 ILE 119 8.746 -5.456 0.818 923 2HD1 ILE 119 2HD1 ILE 119 10.013 -6.568 1.337 924 3HD1 ILE 119 3HD1 ILE 119 9.440 -5.310 2.433 925 H SER 120 H SER 120 9.158 -7.786 6.242 926 HA SER 120 HA SER 120 10.510 -10.225 6.649 927 1HB SER 120 1HB SER 120 10.131 -7.741 8.291 928 2HB SER 120 2HB SER 120 10.918 -9.153 8.994 929 HG SER 120 HG SER 120 11.726 -8.005 6.535 930 H HIS 121 H HIS 121 7.626 -8.812 8.135 931 HA HIS 121 HA HIS 121 7.233 -10.750 10.119 932 1HB HIS 121 1HB HIS 121 5.558 -8.692 8.798 933 2HB HIS 121 2HB HIS 121 4.700 -9.989 9.623 934 HD1 HIS 121 HD1 HIS 121 7.625 -7.702 10.497 935 HD2 HIS 121 HD2 HIS 121 4.173 -9.298 12.170 936 HE1 HIS 121 HE1 HIS 121 7.516 -6.770 12.830 937 HE2 HIS 121 HE2 HIS 121 5.376 -7.684 13.795 938 H TYR 122 H TYR 122 6.478 -10.712 6.739 939 HA TYR 122 HA TYR 122 4.886 -13.116 6.890 940 1HB TYR 122 1HB TYR 122 5.535 -11.120 4.785 941 2HB TYR 122 2HB TYR 122 5.137 -12.751 4.254 942 HD1 TYR 122 HD1 TYR 122 2.984 -13.707 5.696 943 HD2 TYR 122 HD2 TYR 122 3.776 -9.647 4.699 944 HE1 TYR 122 HE1 TYR 122 0.587 -13.193 5.903 945 HE2 TYR 122 HE2 TYR 122 1.383 -9.122 4.904 946 HH TYR 122 HH TYR 122 -0.953 -11.551 5.980 947 H GLN 123 H GLN 123 7.934 -12.085 5.387 948 HA GLN 123 HA GLN 123 9.775 -13.233 4.716 949 1HB GLN 123 1HB GLN 123 8.822 -14.606 7.118 950 2HB GLN 123 2HB GLN 123 9.805 -15.623 6.073 951 1HG GLN 123 1HG GLN 123 11.601 -13.987 6.143 952 2HG GLN 123 2HG GLN 123 10.615 -12.935 7.156 953 1HE2 GLN 123 1HE2 GLN 123 13.197 -14.651 7.408 954 2HE2 GLN 123 2HE2 GLN 123 13.012 -15.385 8.961 955 H GLU 124 H GLU 124 10.548 -15.225 3.611 956 HA GLU 124 HA GLU 124 8.438 -16.931 2.541 957 1HB GLU 124 1HB GLU 124 9.368 -14.704 1.115 958 2HB GLU 124 2HB GLU 124 10.171 -16.086 0.383 959 1HG GLU 124 1HG GLU 124 8.210 -17.014 -0.354 960 2HG GLU 124 2HG GLU 124 7.243 -16.223 0.890 Start of MODEL 10 1 1H MET 1 1H MET 1 10.750 -18.182 -4.177 2 2H MET 1 2H MET 1 11.590 -17.991 -5.662 3 3H MET 1 3H MET 1 10.377 -16.865 -5.208 4 HA MET 1 HA MET 1 12.564 -17.248 -3.361 5 1HB MET 1 1HB MET 1 13.528 -17.232 -5.719 6 2HB MET 1 2HB MET 1 12.899 -15.597 -5.869 7 1HG MET 1 1HG MET 1 14.247 -15.201 -3.664 8 2HG MET 1 2HG MET 1 15.137 -16.624 -4.198 9 1HE MET 1 1HE MET 1 17.688 -15.442 -4.999 10 2HE MET 1 2HE MET 1 16.825 -14.678 -3.664 11 3HE MET 1 3HE MET 1 17.508 -13.688 -4.953 12 H GLN 2 H GLN 2 9.772 -16.293 -3.393 13 HA GLN 2 HA GLN 2 8.589 -14.634 -2.394 14 1HB GLN 2 1HB GLN 2 11.327 -14.014 -1.593 15 2HB GLN 2 2HB GLN 2 10.302 -12.590 -1.684 16 1HG GLN 2 1HG GLN 2 9.022 -13.225 0.066 17 2HG GLN 2 2HG GLN 2 9.190 -14.943 -0.290 18 1HE2 GLN 2 1HE2 GLN 2 10.913 -16.081 0.550 19 2HE2 GLN 2 2HE2 GLN 2 11.943 -15.444 1.781 20 H ARG 3 H ARG 3 11.124 -13.509 -4.537 21 HA ARG 3 HA ARG 3 10.997 -12.276 -6.449 22 1HB ARG 3 1HB ARG 3 8.488 -13.118 -6.344 23 2HB ARG 3 2HB ARG 3 8.189 -11.430 -5.950 24 1HG ARG 3 1HG ARG 3 7.935 -11.479 -8.243 25 2HG ARG 3 2HG ARG 3 9.598 -10.924 -8.046 26 1HD ARG 3 1HD ARG 3 10.487 -12.867 -8.830 27 2HD ARG 3 2HD ARG 3 9.143 -13.846 -8.254 28 HE ARG 3 HE ARG 3 7.855 -12.950 -10.159 29 1HH1 ARG 3 1HH1 ARG 3 11.348 -12.821 -10.302 30 2HH1 ARG 3 2HH1 ARG 3 11.395 -12.805 -12.031 31 1HH2 ARG 3 1HH2 ARG 3 7.928 -12.929 -12.432 32 2HH2 ARG 3 2HH2 ARG 3 9.461 -12.870 -13.238 33 H GLY 4 H GLY 4 8.998 -10.874 -3.922 34 1HA GLY 4 1HA GLY 4 9.289 -8.936 -2.696 35 2HA GLY 4 2HA GLY 4 10.843 -8.720 -3.491 36 H ILE 5 H ILE 5 7.359 -8.582 -4.206 37 HA ILE 5 HA ILE 5 7.928 -6.387 -6.082 38 HB ILE 5 HB ILE 5 5.293 -7.802 -5.887 39 1HG1 ILE 5 1HG1 ILE 5 6.501 -9.699 -6.372 40 2HG1 ILE 5 2HG1 ILE 5 6.257 -9.068 -7.995 41 1HG2 ILE 5 1HG2 ILE 5 4.718 -6.599 -7.664 42 2HG2 ILE 5 2HG2 ILE 5 6.236 -6.938 -8.495 43 3HG2 ILE 5 3HG2 ILE 5 6.147 -5.624 -7.321 44 1HD1 ILE 5 1HD1 ILE 5 8.712 -9.433 -6.463 45 2HD1 ILE 5 2HD1 ILE 5 8.596 -7.873 -7.285 46 3HD1 ILE 5 3HD1 ILE 5 8.452 -9.368 -8.208 47 H VAL 6 H VAL 6 7.668 -4.445 -5.180 48 HA VAL 6 HA VAL 6 5.444 -4.084 -3.279 49 HB VAL 6 HB VAL 6 7.612 -3.654 -2.225 50 1HG1 VAL 6 1HG1 VAL 6 8.331 -2.649 -4.707 51 2HG1 VAL 6 2HG1 VAL 6 9.301 -2.639 -3.237 52 3HG1 VAL 6 3HG1 VAL 6 8.304 -1.245 -3.646 53 1HG2 VAL 6 1HG2 VAL 6 6.942 -1.779 -1.125 54 2HG2 VAL 6 2HG2 VAL 6 5.445 -2.170 -1.976 55 3HG2 VAL 6 3HG2 VAL 6 6.522 -0.922 -2.609 56 H TRP 7 H TRP 7 3.810 -2.830 -3.954 57 HA TRP 7 HA TRP 7 4.340 -0.963 -6.170 58 1HB TRP 7 1HB TRP 7 1.882 -2.624 -5.590 59 2HB TRP 7 2HB TRP 7 1.902 -1.317 -6.772 60 HD1 TRP 7 HD1 TRP 7 5.127 -2.438 -7.375 61 HE1 TRP 7 HE1 TRP 7 5.312 -4.289 -9.137 62 HE3 TRP 7 HE3 TRP 7 0.244 -3.999 -7.422 63 HZ2 TRP 7 HZ2 TRP 7 3.627 -6.186 -10.371 64 HZ3 TRP 7 HZ3 TRP 7 -0.373 -5.846 -8.929 65 HH2 TRP 7 HH2 TRP 7 1.285 -6.931 -10.367 66 H VAL 8 H VAL 8 3.802 1.134 -5.913 67 HA VAL 8 HA VAL 8 2.437 1.879 -3.401 68 HB VAL 8 HB VAL 8 4.240 3.831 -4.736 69 1HG1 VAL 8 1HG1 VAL 8 4.849 4.035 -2.175 70 2HG1 VAL 8 2HG1 VAL 8 3.294 3.228 -1.977 71 3HG1 VAL 8 3HG1 VAL 8 3.387 4.765 -2.836 72 1HG2 VAL 8 1HG2 VAL 8 6.062 2.674 -3.149 73 2HG2 VAL 8 2HG2 VAL 8 5.888 2.287 -4.862 74 3HG2 VAL 8 3HG2 VAL 8 5.159 1.241 -3.643 75 H VAL 9 H VAL 9 0.645 3.106 -3.541 76 HA VAL 9 HA VAL 9 0.141 4.508 -6.087 77 HB VAL 9 HB VAL 9 -2.325 4.350 -5.387 78 1HG1 VAL 9 1HG1 VAL 9 -1.537 3.188 -7.308 79 2HG1 VAL 9 2HG1 VAL 9 -2.547 2.071 -6.395 80 3HG1 VAL 9 3HG1 VAL 9 -0.786 1.940 -6.320 81 1HG2 VAL 9 1HG2 VAL 9 -1.616 1.836 -4.008 82 2HG2 VAL 9 2HG2 VAL 9 -3.010 2.900 -3.795 83 3HG2 VAL 9 3HG2 VAL 9 -1.443 3.350 -3.121 84 H ASP 10 H ASP 10 0.211 6.617 -5.906 85 HA ASP 10 HA ASP 10 -1.168 8.141 -3.982 86 1HB ASP 10 1HB ASP 10 0.878 7.197 -2.672 87 2HB ASP 10 2HB ASP 10 1.798 8.391 -3.585 88 H ASP 11 H ASP 11 0.909 10.265 -4.075 89 HA ASP 11 HA ASP 11 -0.001 11.569 -6.390 90 1HB ASP 11 1HB ASP 11 0.981 12.542 -4.184 91 2HB ASP 11 2HB ASP 11 2.532 12.371 -5.000 92 H ASP 12 H ASP 12 2.225 9.098 -6.199 93 HA ASP 12 HA ASP 12 3.764 8.233 -7.631 94 1HB ASP 12 1HB ASP 12 1.678 8.994 -9.141 95 2HB ASP 12 2HB ASP 12 2.922 10.012 -9.859 96 H SER 13 H SER 13 4.858 9.781 -9.978 97 HA SER 13 HA SER 13 6.932 10.698 -10.295 98 1HB SER 13 1HB SER 13 5.014 12.414 -10.417 99 2HB SER 13 2HB SER 13 5.731 13.085 -8.955 100 HG SER 13 HG SER 13 6.690 13.061 -11.562 101 H SER 14 H SER 14 6.352 12.672 -7.463 102 HA SER 14 HA SER 14 8.954 12.451 -6.493 103 1HB SER 14 1HB SER 14 6.374 13.252 -5.144 104 2HB SER 14 2HB SER 14 7.933 13.320 -4.323 105 HG SER 14 HG SER 14 8.445 15.032 -5.441 106 H ILE 15 H ILE 15 6.002 10.927 -5.183 107 HA ILE 15 HA ILE 15 7.307 9.334 -3.287 108 HB ILE 15 HB ILE 15 4.728 8.616 -4.673 109 1HG1 ILE 15 1HG1 ILE 15 4.654 10.952 -3.856 110 2HG1 ILE 15 2HG1 ILE 15 3.567 9.901 -2.956 111 1HG2 ILE 15 1HG2 ILE 15 5.083 8.094 -1.810 112 2HG2 ILE 15 2HG2 ILE 15 6.162 7.185 -2.866 113 3HG2 ILE 15 3HG2 ILE 15 4.415 7.069 -3.080 114 1HD1 ILE 15 1HD1 ILE 15 6.166 10.034 -1.715 115 2HD1 ILE 15 2HD1 ILE 15 4.570 10.374 -1.045 116 3HD1 ILE 15 3HD1 ILE 15 5.449 11.634 -1.912 117 H ARG 16 H ARG 16 6.710 8.864 -6.675 118 HA ARG 16 HA ARG 16 7.285 6.073 -6.736 119 1HB ARG 16 1HB ARG 16 5.947 7.158 -8.476 120 2HB ARG 16 2HB ARG 16 7.340 8.111 -8.966 121 1HG ARG 16 1HG ARG 16 8.461 5.776 -9.294 122 2HG ARG 16 2HG ARG 16 6.796 5.210 -9.376 123 1HD ARG 16 1HD ARG 16 7.417 5.642 -11.598 124 2HD ARG 16 2HD ARG 16 6.418 7.013 -11.118 125 HE ARG 16 HE ARG 16 8.863 7.933 -10.585 126 1HH1 ARG 16 1HH1 ARG 16 7.609 6.292 -13.400 127 2HH1 ARG 16 2HH1 ARG 16 8.705 7.071 -14.493 128 1HH2 ARG 16 1HH2 ARG 16 10.294 8.960 -12.019 129 2HH2 ARG 16 2HH2 ARG 16 10.226 8.591 -13.709 130 H TRP 17 H TRP 17 9.182 8.877 -7.897 131 HA TRP 17 HA TRP 17 11.463 7.548 -8.649 132 1HB TRP 17 1HB TRP 17 10.993 9.994 -8.969 133 2HB TRP 17 2HB TRP 17 11.481 10.246 -7.295 134 HD1 TRP 17 HD1 TRP 17 12.935 9.218 -10.702 135 HE1 TRP 17 HE1 TRP 17 15.489 9.536 -10.635 136 HE3 TRP 17 HE3 TRP 17 13.476 10.422 -5.759 137 HZ2 TRP 17 HZ2 TRP 17 17.467 10.227 -8.744 138 HZ3 TRP 17 HZ3 TRP 17 15.735 10.900 -4.904 139 HH2 TRP 17 HH2 TRP 17 17.687 10.803 -6.367 140 H VAL 18 H VAL 18 10.660 8.681 -5.384 141 HA VAL 18 HA VAL 18 13.167 7.955 -4.288 142 HB VAL 18 HB VAL 18 10.824 7.982 -2.477 143 1HG1 VAL 18 1HG1 VAL 18 13.378 7.858 -1.955 144 2HG1 VAL 18 2HG1 VAL 18 12.313 8.837 -0.947 145 3HG1 VAL 18 3HG1 VAL 18 13.309 9.605 -2.183 146 1HG2 VAL 18 1HG2 VAL 18 11.505 10.676 -2.737 147 2HG2 VAL 18 2HG2 VAL 18 9.986 9.912 -3.194 148 3HG2 VAL 18 3HG2 VAL 18 11.271 10.101 -4.386 149 H LEU 19 H LEU 19 9.995 6.490 -3.876 150 HA LEU 19 HA LEU 19 10.952 4.196 -2.564 151 1HB LEU 19 1HB LEU 19 8.378 5.081 -3.701 152 2HB LEU 19 2HB LEU 19 8.574 3.361 -3.456 153 HG LEU 19 HG LEU 19 7.485 4.324 -1.535 154 1HD1 LEU 19 1HD1 LEU 19 10.198 3.913 -0.423 155 2HD1 LEU 19 2HD1 LEU 19 9.534 2.613 -1.411 156 3HD1 LEU 19 3HD1 LEU 19 8.661 3.168 0.017 157 1HD2 LEU 19 1HD2 LEU 19 9.752 6.258 -1.677 158 2HD2 LEU 19 2HD2 LEU 19 8.989 5.919 -0.124 159 3HD2 LEU 19 3HD2 LEU 19 8.031 6.562 -1.459 160 H GLU 20 H GLU 20 10.622 4.915 -5.944 161 HA GLU 20 HA GLU 20 10.586 2.248 -6.863 162 1HB GLU 20 1HB GLU 20 10.940 3.072 -9.039 163 2HB GLU 20 2HB GLU 20 9.934 4.245 -8.224 164 1HG GLU 20 1HG GLU 20 11.839 5.710 -7.949 165 2HG GLU 20 2HG GLU 20 12.889 4.507 -8.689 166 H ARG 21 H ARG 21 13.302 4.548 -6.915 167 HA ARG 21 HA ARG 21 15.160 2.504 -7.569 168 1HB ARG 21 1HB ARG 21 15.608 5.325 -6.599 169 2HB ARG 21 2HB ARG 21 16.890 4.251 -7.139 170 1HG ARG 21 1HG ARG 21 14.759 4.427 -9.088 171 2HG ARG 21 2HG ARG 21 15.424 6.013 -8.697 172 1HD ARG 21 1HD ARG 21 16.937 3.591 -9.666 173 2HD ARG 21 2HD ARG 21 16.630 5.080 -10.559 174 HE ARG 21 HE ARG 21 18.062 5.489 -8.103 175 1HH1 ARG 21 1HH1 ARG 21 18.361 4.712 -11.495 176 2HH1 ARG 21 2HH1 ARG 21 20.002 5.254 -11.601 177 1HH2 ARG 21 1HH2 ARG 21 20.217 6.206 -8.244 178 2HH2 ARG 21 2HH2 ARG 21 21.056 6.101 -9.756 179 H ALA 22 H ALA 22 14.755 4.402 -4.562 180 HA ALA 22 HA ALA 22 16.681 3.165 -3.051 181 1HB ALA 22 1HB ALA 22 14.570 4.930 -2.557 182 2HB ALA 22 2HB ALA 22 15.917 4.534 -1.494 183 3HB ALA 22 3HB ALA 22 14.408 3.624 -1.384 184 H LEU 23 H LEU 23 13.268 2.233 -3.116 185 HA LEU 23 HA LEU 23 13.589 -0.073 -1.559 186 1HB LEU 23 1HB LEU 23 11.412 1.137 -2.226 187 2HB LEU 23 2HB LEU 23 11.479 0.169 -3.685 188 HG LEU 23 HG LEU 23 11.060 -1.819 -2.552 189 1HD1 LEU 23 1HD1 LEU 23 12.606 -1.953 -0.837 190 2HD1 LEU 23 2HD1 LEU 23 11.084 -1.814 0.043 191 3HD1 LEU 23 3HD1 LEU 23 12.125 -0.401 -0.146 192 1HD2 LEU 23 1HD2 LEU 23 9.023 -1.507 -1.492 193 2HD2 LEU 23 2HD2 LEU 23 9.191 -0.044 -2.470 194 3HD2 LEU 23 3HD2 LEU 23 9.537 0.009 -0.742 195 H ALA 24 H ALA 24 14.247 0.550 -4.885 196 HA ALA 24 HA ALA 24 14.251 -2.145 -5.784 197 1HB ALA 24 1HB ALA 24 16.038 -0.831 -7.415 198 2HB ALA 24 2HB ALA 24 14.980 0.467 -6.864 199 3HB ALA 24 3HB ALA 24 14.298 -0.940 -7.677 200 H GLY 25 H GLY 25 16.615 0.004 -4.331 201 1HA GLY 25 1HA GLY 25 18.881 -1.662 -4.682 202 2HA GLY 25 2HA GLY 25 18.717 -0.381 -3.488 203 H ALA 26 H ALA 26 16.212 -1.735 -2.476 204 HA ALA 26 HA ALA 26 17.505 -3.324 -0.490 205 1HB ALA 26 1HB ALA 26 15.135 -3.653 0.336 206 2HB ALA 26 2HB ALA 26 14.633 -2.596 -0.983 207 3HB ALA 26 3HB ALA 26 15.712 -1.989 0.271 208 H GLY 27 H GLY 27 16.139 -3.962 -3.550 209 1HA GLY 27 1HA GLY 27 16.558 -6.112 -4.534 210 2HA GLY 27 2HA GLY 27 16.306 -6.838 -2.959 211 H LEU 28 H LEU 28 14.047 -4.418 -4.124 212 HA LEU 28 HA LEU 28 12.224 -6.569 -4.873 213 1HB LEU 28 1HB LEU 28 10.949 -4.291 -3.532 214 2HB LEU 28 2HB LEU 28 10.588 -6.000 -3.431 215 HG LEU 28 HG LEU 28 12.876 -5.980 -2.053 216 1HD1 LEU 28 1HD1 LEU 28 12.515 -3.875 -0.553 217 2HD1 LEU 28 2HD1 LEU 28 11.904 -3.221 -2.071 218 3HD1 LEU 28 3HD1 LEU 28 13.547 -3.847 -1.983 219 1HD2 LEU 28 1HD2 LEU 28 10.742 -5.069 -0.332 220 2HD2 LEU 28 2HD2 LEU 28 11.513 -6.653 -0.423 221 3HD2 LEU 28 3HD2 LEU 28 10.174 -6.261 -1.503 222 H THR 29 H THR 29 10.193 -5.664 -5.931 223 HA THR 29 HA THR 29 11.049 -3.667 -7.907 224 HB THR 29 HB THR 29 8.841 -5.736 -7.994 225 HG1 THR 29 HG1 THR 29 10.907 -6.577 -8.349 226 1HG2 THR 29 1HG2 THR 29 9.287 -3.386 -9.668 227 2HG2 THR 29 2HG2 THR 29 7.855 -4.397 -9.481 228 3HG2 THR 29 3HG2 THR 29 9.157 -4.903 -10.559 229 H CYS 30 H CYS 30 10.495 -1.678 -7.260 230 HA CYS 30 HA CYS 30 7.855 -1.289 -6.046 231 1HB CYS 30 1HB CYS 30 9.899 -0.548 -4.788 232 2HB CYS 30 2HB CYS 30 10.137 0.665 -6.039 233 HG CYS 30 HG CYS 30 7.431 0.759 -4.588 234 H THR 31 H THR 31 6.345 -0.734 -7.403 235 HA THR 31 HA THR 31 6.961 1.270 -9.471 236 HB THR 31 HB THR 31 6.358 -1.155 -10.251 237 HG1 THR 31 HG1 THR 31 4.854 1.069 -11.189 238 1HG2 THR 31 1HG2 THR 31 4.174 -0.846 -8.662 239 2HG2 THR 31 2HG2 THR 31 4.304 -1.972 -10.016 240 3HG2 THR 31 3HG2 THR 31 3.544 -0.396 -10.247 241 H THR 32 H THR 32 5.162 2.771 -9.904 242 HA THR 32 HA THR 32 3.271 2.857 -7.668 243 HB THR 32 HB THR 32 3.486 5.247 -7.510 244 HG1 THR 32 HG1 THR 32 3.979 5.566 -9.778 245 1HG2 THR 32 1HG2 THR 32 5.348 3.550 -6.614 246 2HG2 THR 32 2HG2 THR 32 5.414 5.296 -6.352 247 3HG2 THR 32 3HG2 THR 32 6.347 4.564 -7.656 248 H PHE 33 H PHE 33 1.359 4.111 -7.992 249 HA PHE 33 HA PHE 33 0.503 4.369 -10.779 250 1HB PHE 33 1HB PHE 33 -1.259 3.108 -8.698 251 2HB PHE 33 2HB PHE 33 -1.522 3.205 -10.419 252 HD1 PHE 33 HD1 PHE 33 1.187 1.907 -8.181 253 HD2 PHE 33 HD2 PHE 33 -1.378 1.223 -11.508 254 HE1 PHE 33 HE1 PHE 33 2.163 -0.330 -8.470 255 HE2 PHE 33 HE2 PHE 33 -0.416 -1.017 -11.796 256 HZ PHE 33 HZ PHE 33 1.350 -1.803 -10.279 257 H GLU 34 H GLU 34 -1.808 5.370 -10.801 258 HA GLU 34 HA GLU 34 -1.640 7.958 -9.707 259 1HB GLU 34 1HB GLU 34 -3.691 8.372 -10.771 260 2HB GLU 34 2HB GLU 34 -2.955 7.122 -11.760 261 1HG GLU 34 1HG GLU 34 -4.629 5.986 -9.671 262 2HG GLU 34 2HG GLU 34 -5.514 7.112 -10.691 263 H ASN 35 H ASN 35 -3.224 5.035 -8.626 264 HA ASN 35 HA ASN 35 -3.409 5.852 -5.945 265 1HB ASN 35 1HB ASN 35 -5.359 7.072 -7.394 266 2HB ASN 35 2HB ASN 35 -6.180 5.585 -6.933 267 1HD2 ASN 35 1HD2 ASN 35 -7.046 5.462 -4.982 268 2HD2 ASN 35 2HD2 ASN 35 -6.789 6.588 -3.697 269 H GLY 36 H GLY 36 -4.900 4.265 -4.698 270 1HA GLY 36 1HA GLY 36 -4.080 1.670 -5.143 271 2HA GLY 36 2HA GLY 36 -5.518 2.101 -4.237 272 H ASN 37 H ASN 37 -6.654 3.415 -6.687 273 HA ASN 37 HA ASN 37 -8.224 1.304 -7.602 274 1HB ASN 37 1HB ASN 37 -8.126 4.089 -7.952 275 2HB ASN 37 2HB ASN 37 -8.062 3.402 -9.570 276 1HD2 ASN 37 1HD2 ASN 37 -9.687 2.062 -6.741 277 2HD2 ASN 37 2HD2 ASN 37 -11.285 2.169 -7.383 278 H GLU 38 H GLU 38 -5.495 2.962 -9.250 279 HA GLU 38 HA GLU 38 -5.483 1.437 -11.561 280 1HB GLU 38 1HB GLU 38 -3.811 3.344 -10.493 281 2HB GLU 38 2HB GLU 38 -2.797 1.914 -10.514 282 1HG GLU 38 1HG GLU 38 -3.344 1.618 -12.917 283 2HG GLU 38 2HG GLU 38 -4.210 3.150 -12.863 284 H VAL 39 H VAL 39 -3.703 0.743 -8.517 285 HA VAL 39 HA VAL 39 -2.481 -1.610 -9.283 286 HB VAL 39 HB VAL 39 -3.667 -1.067 -6.559 287 1HG1 VAL 39 1HG1 VAL 39 -2.680 -3.426 -7.404 288 2HG1 VAL 39 2HG1 VAL 39 -2.538 -2.851 -5.747 289 3HG1 VAL 39 3HG1 VAL 39 -1.193 -2.647 -6.869 290 1HG2 VAL 39 1HG2 VAL 39 -1.949 0.571 -7.736 291 2HG2 VAL 39 2HG2 VAL 39 -0.795 -0.637 -7.174 292 3HG2 VAL 39 3HG2 VAL 39 -1.843 0.187 -6.018 293 H LEU 40 H LEU 40 -5.847 -1.111 -8.333 294 HA LEU 40 HA LEU 40 -6.614 -3.773 -7.965 295 1HB LEU 40 1HB LEU 40 -8.339 -1.756 -9.388 296 2HB LEU 40 2HB LEU 40 -8.853 -3.110 -8.402 297 HG LEU 40 HG LEU 40 -7.573 -0.559 -7.436 298 1HD1 LEU 40 1HD1 LEU 40 -9.694 0.124 -7.436 299 2HD1 LEU 40 2HD1 LEU 40 -9.939 -0.998 -6.101 300 3HD1 LEU 40 3HD1 LEU 40 -10.302 -1.500 -7.751 301 1HD2 LEU 40 1HD2 LEU 40 -6.745 -1.878 -5.806 302 2HD2 LEU 40 2HD2 LEU 40 -7.855 -3.200 -6.169 303 3HD2 LEU 40 3HD2 LEU 40 -8.402 -1.830 -5.201 304 H ALA 41 H ALA 41 -6.337 -1.831 -10.892 305 HA ALA 41 HA ALA 41 -7.233 -3.848 -12.680 306 1HB ALA 41 1HB ALA 41 -5.397 -1.598 -13.418 307 2HB ALA 41 2HB ALA 41 -7.113 -1.342 -13.095 308 3HB ALA 41 3HB ALA 41 -6.612 -2.396 -14.419 309 H ALA 42 H ALA 42 -4.038 -2.707 -11.758 310 HA ALA 42 HA ALA 42 -2.540 -4.446 -13.378 311 1HB ALA 42 1HB ALA 42 -1.126 -3.881 -10.945 312 2HB ALA 42 2HB ALA 42 -1.987 -2.438 -11.483 313 3HB ALA 42 3HB ALA 42 -0.854 -3.242 -12.568 314 H LEU 43 H LEU 43 -3.899 -4.806 -10.164 315 HA LEU 43 HA LEU 43 -2.558 -7.176 -9.464 316 1HB LEU 43 1HB LEU 43 -4.998 -5.776 -8.489 317 2HB LEU 43 2HB LEU 43 -4.671 -7.410 -7.939 318 HG LEU 43 HG LEU 43 -2.609 -5.249 -7.686 319 1HD1 LEU 43 1HD1 LEU 43 -4.579 -5.986 -5.540 320 2HD1 LEU 43 2HD1 LEU 43 -4.810 -4.604 -6.610 321 3HD1 LEU 43 3HD1 LEU 43 -3.408 -4.668 -5.541 322 1HD2 LEU 43 1HD2 LEU 43 -3.005 -8.018 -6.725 323 2HD2 LEU 43 2HD2 LEU 43 -2.245 -6.880 -5.613 324 3HD2 LEU 43 3HD2 LEU 43 -1.531 -7.176 -7.198 325 H ALA 44 H ALA 44 -5.314 -6.592 -11.455 326 HA ALA 44 HA ALA 44 -6.612 -9.062 -11.261 327 1HB ALA 44 1HB ALA 44 -7.956 -7.685 -12.417 328 2HB ALA 44 2HB ALA 44 -7.136 -8.375 -13.817 329 3HB ALA 44 3HB ALA 44 -6.613 -6.823 -13.166 330 H SER 45 H SER 45 -3.559 -8.346 -12.596 331 HA SER 45 HA SER 45 -3.534 -10.931 -13.952 332 1HB SER 45 1HB SER 45 -2.809 -8.305 -14.945 333 2HB SER 45 2HB SER 45 -1.473 -9.444 -15.096 334 HG SER 45 HG SER 45 -4.041 -10.251 -15.883 335 H LYS 46 H LYS 46 -2.334 -9.243 -11.348 336 HA LYS 46 HA LYS 46 -0.439 -11.257 -10.737 337 1HB LYS 46 1HB LYS 46 1.313 -10.392 -11.841 338 2HB LYS 46 2HB LYS 46 0.511 -8.850 -12.097 339 1HG LYS 46 1HG LYS 46 2.300 -8.207 -10.893 340 2HG LYS 46 2HG LYS 46 1.138 -8.480 -9.592 341 1HD LYS 46 1HD LYS 46 2.883 -9.587 -8.771 342 2HD LYS 46 2HD LYS 46 2.156 -10.893 -9.711 343 1HE LYS 46 1HE LYS 46 3.702 -10.514 -11.518 344 2HE LYS 46 2HE LYS 46 4.356 -9.093 -10.706 345 1HZ LYS 46 1HZ LYS 46 4.475 -11.485 -9.111 346 2HZ LYS 46 2HZ LYS 46 5.680 -10.346 -9.442 347 3HZ LYS 46 3HZ LYS 46 5.372 -11.593 -10.541 348 H THR 47 H THR 47 0.711 -10.765 -8.657 349 HA THR 47 HA THR 47 -0.694 -8.825 -7.012 350 HB THR 47 HB THR 47 -0.348 -11.731 -6.291 351 HG1 THR 47 HG1 THR 47 -2.517 -11.862 -6.516 352 1HG2 THR 47 1HG2 THR 47 -0.126 -10.196 -4.335 353 2HG2 THR 47 2HG2 THR 47 -1.498 -11.307 -4.254 354 3HG2 THR 47 3HG2 THR 47 -1.758 -9.618 -4.687 355 HA PRO 48 HA PRO 48 3.580 -8.339 -5.740 356 1HB PRO 48 1HB PRO 48 3.326 -6.030 -4.421 357 2HB PRO 48 2HB PRO 48 3.195 -6.086 -6.184 358 1HG PRO 48 1HG PRO 48 1.023 -5.976 -4.125 359 2HG PRO 48 2HG PRO 48 1.166 -5.075 -5.645 360 1HD PRO 48 1HD PRO 48 -0.358 -7.333 -5.343 361 2HD PRO 48 2HD PRO 48 0.331 -6.804 -6.886 362 H ASP 49 H ASP 49 4.752 -8.281 -3.687 363 HA ASP 49 HA ASP 49 3.439 -9.844 -1.686 364 1HB ASP 49 1HB ASP 49 6.170 -8.533 -1.628 365 2HB ASP 49 2HB ASP 49 5.595 -9.755 -0.497 366 H VAL 50 H VAL 50 4.121 -6.460 -2.131 367 HA VAL 50 HA VAL 50 2.569 -5.866 0.262 368 HB VAL 50 HB VAL 50 4.791 -5.746 1.155 369 1HG1 VAL 50 1HG1 VAL 50 5.625 -5.214 -1.373 370 2HG1 VAL 50 2HG1 VAL 50 6.621 -5.035 0.072 371 3HG1 VAL 50 3HG1 VAL 50 5.796 -3.635 -0.609 372 1HG2 VAL 50 1HG2 VAL 50 3.133 -3.905 1.666 373 2HG2 VAL 50 2HG2 VAL 50 4.041 -2.901 0.536 374 3HG2 VAL 50 3HG2 VAL 50 4.827 -3.533 1.982 375 H LEU 51 H LEU 51 1.679 -3.701 0.236 376 HA LEU 51 HA LEU 51 2.007 -2.154 -2.203 377 1HB LEU 51 1HB LEU 51 0.366 -3.858 -2.812 378 2HB LEU 51 2HB LEU 51 -0.616 -3.429 -1.429 379 HG LEU 51 HG LEU 51 -0.677 -1.064 -2.587 380 1HD1 LEU 51 1HD1 LEU 51 -0.827 -1.478 -5.095 381 2HD1 LEU 51 2HD1 LEU 51 0.094 -2.953 -4.793 382 3HD1 LEU 51 3HD1 LEU 51 0.788 -1.378 -4.396 383 1HD2 LEU 51 1HD2 LEU 51 -2.780 -1.616 -3.441 384 2HD2 LEU 51 2HD2 LEU 51 -2.521 -2.803 -2.163 385 3HD2 LEU 51 3HD2 LEU 51 -2.283 -3.258 -3.851 386 H LEU 52 H LEU 52 1.622 -0.041 -1.913 387 HA LEU 52 HA LEU 52 0.550 0.806 0.695 388 1HB LEU 52 1HB LEU 52 2.747 1.781 -1.043 389 2HB LEU 52 2HB LEU 52 1.821 2.999 -0.191 390 HG LEU 52 HG LEU 52 2.736 0.792 1.511 391 1HD1 LEU 52 1HD1 LEU 52 4.852 0.713 0.820 392 2HD1 LEU 52 2HD1 LEU 52 5.012 2.378 1.376 393 3HD1 LEU 52 3HD1 LEU 52 4.603 2.048 -0.306 394 1HD2 LEU 52 1HD2 LEU 52 1.770 2.640 2.575 395 2HD2 LEU 52 2HD2 LEU 52 2.672 3.784 1.579 396 3HD2 LEU 52 3HD2 LEU 52 3.505 2.848 2.822 397 H SER 53 H SER 53 -1.415 1.801 0.605 398 HA SER 53 HA SER 53 -2.296 2.792 -2.001 399 1HB SER 53 1HB SER 53 -3.604 1.299 0.101 400 2HB SER 53 2HB SER 53 -4.554 2.684 -0.425 401 HG SER 53 HG SER 53 -5.096 1.436 -2.018 402 H ASP 54 H ASP 54 -3.031 4.811 -2.367 403 HA ASP 54 HA ASP 54 -2.381 6.849 -0.468 404 1HB ASP 54 1HB ASP 54 -2.319 7.027 -3.042 405 2HB ASP 54 2HB ASP 54 -4.057 7.289 -2.932 406 H ILE 55 H ILE 55 -4.083 8.624 -0.040 407 HA ILE 55 HA ILE 55 -6.794 7.697 0.294 408 HB ILE 55 HB ILE 55 -5.914 6.640 2.187 409 1HG1 ILE 55 1HG1 ILE 55 -6.552 9.064 3.723 410 2HG1 ILE 55 2HG1 ILE 55 -7.752 8.633 2.517 411 1HG2 ILE 55 1HG2 ILE 55 -4.444 7.830 3.827 412 2HG2 ILE 55 2HG2 ILE 55 -4.299 9.124 2.636 413 3HG2 ILE 55 3HG2 ILE 55 -3.721 7.504 2.252 414 1HD1 ILE 55 1HD1 ILE 55 -8.305 7.670 4.664 415 2HD1 ILE 55 2HD1 ILE 55 -6.740 6.858 4.722 416 3HD1 ILE 55 3HD1 ILE 55 -7.928 6.399 3.502 417 H ARG 56 H ARG 56 -7.449 9.546 -0.870 418 HA ARG 56 HA ARG 56 -7.140 12.083 0.588 419 1HB ARG 56 1HB ARG 56 -5.687 11.760 -1.557 420 2HB ARG 56 2HB ARG 56 -7.192 12.079 -2.405 421 1HG ARG 56 1HG ARG 56 -7.338 14.256 -1.574 422 2HG ARG 56 2HG ARG 56 -6.175 13.938 -0.286 423 1HD ARG 56 1HD ARG 56 -4.659 14.876 -1.627 424 2HD ARG 56 2HD ARG 56 -4.741 13.391 -2.570 425 HE ARG 56 HE ARG 56 -6.541 14.586 -3.874 426 1HH1 ARG 56 1HH1 ARG 56 -3.954 16.324 -2.281 427 2HH1 ARG 56 2HH1 ARG 56 -4.036 17.672 -3.362 428 1HH2 ARG 56 1HH2 ARG 56 -6.630 16.356 -5.292 429 2HH2 ARG 56 2HH2 ARG 56 -5.549 17.690 -5.069 430 H MET 57 H MET 57 -9.377 10.491 0.875 431 HA MET 57 HA MET 57 -11.641 10.571 0.850 432 1HB MET 57 1HB MET 57 -10.941 13.024 1.337 433 2HB MET 57 2HB MET 57 -11.545 13.333 -0.285 434 1HG MET 57 1HG MET 57 -13.732 12.627 0.303 435 2HG MET 57 2HG MET 57 -13.177 11.988 1.849 436 1HE MET 57 1HE MET 57 -14.888 15.983 1.023 437 2HE MET 57 2HE MET 57 -14.928 14.486 0.090 438 3HE MET 57 3HE MET 57 -13.590 15.617 -0.114 439 HA PRO 58 HA PRO 58 -11.804 10.249 -3.888 440 1HB PRO 58 1HB PRO 58 -11.484 7.567 -4.150 441 2HB PRO 58 2HB PRO 58 -10.132 8.703 -4.190 442 1HG PRO 58 1HG PRO 58 -11.087 6.974 -1.942 443 2HG PRO 58 2HG PRO 58 -9.430 7.344 -2.448 444 1HD PRO 58 1HD PRO 58 -10.666 8.553 -0.347 445 2HD PRO 58 2HD PRO 58 -9.395 9.328 -1.305 446 H GLY 59 H GLY 59 -12.751 7.238 -2.245 447 1HA GLY 59 1HA GLY 59 -15.549 7.808 -2.977 448 2HA GLY 59 2HA GLY 59 -14.856 6.194 -2.884 449 H MET 60 H MET 60 -13.380 6.911 -0.415 450 HA MET 60 HA MET 60 -15.393 7.510 1.551 451 1HB MET 60 1HB MET 60 -15.805 5.102 1.124 452 2HB MET 60 2HB MET 60 -14.136 4.761 1.554 453 1HG MET 60 1HG MET 60 -14.782 5.988 3.775 454 2HG MET 60 2HG MET 60 -16.415 5.531 3.292 455 1HE MET 60 1HE MET 60 -16.234 1.724 2.993 456 2HE MET 60 2HE MET 60 -15.132 2.410 1.800 457 3HE MET 60 3HE MET 60 -16.679 3.192 2.123 458 H ASP 61 H ASP 61 -13.539 9.131 1.386 459 HA ASP 61 HA ASP 61 -11.923 10.227 2.565 460 1HB ASP 61 1HB ASP 61 -12.973 8.721 4.470 461 2HB ASP 61 2HB ASP 61 -11.411 7.919 4.369 462 H GLY 62 H GLY 62 -11.390 7.023 1.413 463 1HA GLY 62 1HA GLY 62 -9.336 7.052 -0.130 464 2HA GLY 62 2HA GLY 62 -8.479 7.386 1.371 465 H LEU 63 H LEU 63 -10.344 5.793 2.924 466 HA LEU 63 HA LEU 63 -9.013 3.307 2.744 467 1HB LEU 63 1HB LEU 63 -11.526 3.839 4.298 468 2HB LEU 63 2HB LEU 63 -10.305 2.623 4.618 469 HG LEU 63 HG LEU 63 -8.783 4.814 4.878 470 1HD1 LEU 63 1HD1 LEU 63 -11.087 5.905 6.291 471 2HD1 LEU 63 2HD1 LEU 63 -11.230 5.984 4.537 472 3HD1 LEU 63 3HD1 LEU 63 -9.846 6.724 5.345 473 1HD2 LEU 63 1HD2 LEU 63 -10.608 3.703 7.001 474 2HD2 LEU 63 2HD2 LEU 63 -9.129 4.628 7.284 475 3HD2 LEU 63 3HD2 LEU 63 -9.046 3.039 6.519 476 H ALA 64 H ALA 64 -11.824 4.621 1.260 477 HA ALA 64 HA ALA 64 -13.410 2.368 0.846 478 1HB ALA 64 1HB ALA 64 -14.591 3.850 -0.324 479 2HB ALA 64 2HB ALA 64 -13.342 3.893 -1.570 480 3HB ALA 64 3HB ALA 64 -13.254 4.993 -0.194 481 H LEU 65 H LEU 65 -10.380 3.308 -0.591 482 HA LEU 65 HA LEU 65 -10.343 1.605 -2.819 483 1HB LEU 65 1HB LEU 65 -8.658 3.461 -1.862 484 2HB LEU 65 2HB LEU 65 -7.836 2.026 -1.282 485 HG LEU 65 HG LEU 65 -6.995 2.868 -3.464 486 1HD1 LEU 65 1HD1 LEU 65 -7.506 0.493 -4.612 487 2HD1 LEU 65 2HD1 LEU 65 -7.981 0.132 -2.955 488 3HD1 LEU 65 3HD1 LEU 65 -6.352 0.703 -3.297 489 1HD2 LEU 65 1HD2 LEU 65 -9.316 1.724 -4.879 490 2HD2 LEU 65 2HD2 LEU 65 -8.273 3.079 -5.314 491 3HD2 LEU 65 3HD2 LEU 65 -9.558 3.299 -4.124 492 H LEU 66 H LEU 66 -9.217 1.154 0.494 493 HA LEU 66 HA LEU 66 -8.158 -1.376 0.378 494 1HB LEU 66 1HB LEU 66 -9.776 -0.054 2.547 495 2HB LEU 66 2HB LEU 66 -9.004 -1.610 2.764 496 HG LEU 66 HG LEU 66 -7.667 0.160 3.762 497 1HD1 LEU 66 1HD1 LEU 66 -6.216 -1.481 3.169 498 2HD1 LEU 66 2HD1 LEU 66 -5.578 -0.167 2.181 499 3HD1 LEU 66 3HD1 LEU 66 -6.626 -1.385 1.457 500 1HD2 LEU 66 1HD2 LEU 66 -7.092 1.328 1.075 501 2HD2 LEU 66 2HD2 LEU 66 -6.884 2.035 2.678 502 3HD2 LEU 66 3HD2 LEU 66 -8.498 1.866 1.991 503 H LYS 67 H LYS 67 -11.541 -0.415 0.673 504 HA LYS 67 HA LYS 67 -12.673 -2.948 1.032 505 1HB LYS 67 1HB LYS 67 -13.699 -0.471 0.960 506 2HB LYS 67 2HB LYS 67 -14.146 -1.000 -0.657 507 1HG LYS 67 1HG LYS 67 -15.626 -2.558 0.107 508 2HG LYS 67 2HG LYS 67 -14.744 -2.821 1.611 509 1HD LYS 67 1HD LYS 67 -15.503 -0.598 2.395 510 2HD LYS 67 2HD LYS 67 -16.460 -0.437 0.920 511 1HE LYS 67 1HE LYS 67 -17.909 -1.189 2.672 512 2HE LYS 67 2HE LYS 67 -17.663 -2.525 1.549 513 1HZ LYS 67 1HZ LYS 67 -15.685 -2.675 3.520 514 2HZ LYS 67 2HZ LYS 67 -16.959 -3.750 3.235 515 3HZ LYS 67 3HZ LYS 67 -17.168 -2.458 4.306 516 H GLN 68 H GLN 68 -11.894 -1.163 -1.928 517 HA GLN 68 HA GLN 68 -12.955 -3.010 -3.765 518 1HB GLN 68 1HB GLN 68 -10.515 -1.327 -4.293 519 2HB GLN 68 2HB GLN 68 -11.717 -1.881 -5.447 520 1HG GLN 68 1HG GLN 68 -12.316 0.070 -3.246 521 2HG GLN 68 2HG GLN 68 -11.796 0.549 -4.864 522 1HE2 GLN 68 1HE2 GLN 68 -14.395 -0.209 -2.895 523 2HE2 GLN 68 2HE2 GLN 68 -15.618 -0.327 -4.110 524 H ILE 69 H ILE 69 -9.819 -2.733 -2.226 525 HA ILE 69 HA ILE 69 -8.370 -4.570 -3.696 526 HB ILE 69 HB ILE 69 -8.114 -3.801 -0.798 527 1HG1 ILE 69 1HG1 ILE 69 -6.437 -2.907 -3.139 528 2HG1 ILE 69 2HG1 ILE 69 -7.909 -2.063 -2.670 529 1HG2 ILE 69 1HG2 ILE 69 -6.997 -5.934 -1.168 530 2HG2 ILE 69 2HG2 ILE 69 -5.819 -4.645 -0.916 531 3HG2 ILE 69 3HG2 ILE 69 -6.127 -5.252 -2.541 532 1HD1 ILE 69 1HD1 ILE 69 -6.677 -0.870 -1.275 533 2HD1 ILE 69 2HD1 ILE 69 -5.265 -1.888 -1.564 534 3HD1 ILE 69 3HD1 ILE 69 -6.435 -2.331 -0.320 535 H LYS 70 H LYS 70 -10.453 -5.145 -0.928 536 HA LYS 70 HA LYS 70 -9.770 -7.911 -0.768 537 1HB LYS 70 1HB LYS 70 -11.448 -8.050 0.967 538 2HB LYS 70 2HB LYS 70 -10.439 -6.629 1.199 539 1HG LYS 70 1HG LYS 70 -12.461 -5.694 1.577 540 2HG LYS 70 2HG LYS 70 -12.373 -5.476 -0.167 541 1HD LYS 70 1HD LYS 70 -14.027 -6.956 -0.569 542 2HD LYS 70 2HD LYS 70 -13.506 -8.041 0.722 543 1HE LYS 70 1HE LYS 70 -15.046 -7.226 2.104 544 2HE LYS 70 2HE LYS 70 -14.488 -5.577 1.830 545 1HZ LYS 70 1HZ LYS 70 -16.524 -5.340 0.947 546 2HZ LYS 70 2HZ LYS 70 -16.724 -6.993 0.650 547 3HZ LYS 70 3HZ LYS 70 -15.829 -6.044 -0.426 548 H GLN 71 H GLN 71 -12.079 -6.078 -2.533 549 HA GLN 71 HA GLN 71 -14.021 -8.072 -2.927 550 1HB GLN 71 1HB GLN 71 -13.447 -5.428 -3.988 551 2HB GLN 71 2HB GLN 71 -14.142 -6.502 -5.193 552 1HG GLN 71 1HG GLN 71 -16.147 -6.613 -4.147 553 2HG GLN 71 2HG GLN 71 -15.447 -6.428 -2.539 554 1HE2 GLN 71 1HE2 GLN 71 -14.238 -4.171 -2.415 555 2HE2 GLN 71 2HE2 GLN 71 -15.230 -2.831 -2.868 556 H ARG 72 H ARG 72 -11.195 -7.170 -4.807 557 HA ARG 72 HA ARG 72 -11.675 -9.416 -6.617 558 1HB ARG 72 1HB ARG 72 -9.765 -7.091 -6.786 559 2HB ARG 72 2HB ARG 72 -9.813 -8.397 -7.961 560 1HG ARG 72 1HG ARG 72 -12.451 -7.360 -7.614 561 2HG ARG 72 2HG ARG 72 -11.334 -6.028 -7.918 562 1HD ARG 72 1HD ARG 72 -10.800 -6.770 -10.012 563 2HD ARG 72 2HD ARG 72 -11.102 -8.458 -9.606 564 HE ARG 72 HE ARG 72 -13.338 -6.570 -9.879 565 1HH1 ARG 72 1HH1 ARG 72 -11.687 -9.476 -10.912 566 2HH1 ARG 72 2HH1 ARG 72 -13.001 -10.011 -11.902 567 1HH2 ARG 72 1HH2 ARG 72 -15.056 -7.280 -11.181 568 2HH2 ARG 72 2HH2 ARG 72 -14.910 -8.767 -12.058 569 H HIS 73 H HIS 73 -9.416 -8.293 -4.225 570 HA HIS 73 HA HIS 73 -7.812 -10.733 -4.617 571 1HB HIS 73 1HB HIS 73 -6.720 -8.509 -2.976 572 2HB HIS 73 2HB HIS 73 -5.897 -9.573 -4.115 573 HD1 HIS 73 HD1 HIS 73 -6.654 -9.017 -6.754 574 HD2 HIS 73 HD2 HIS 73 -7.018 -5.999 -3.929 575 HE1 HIS 73 HE1 HIS 73 -6.811 -6.880 -8.069 576 HE2 HIS 73 HE2 HIS 73 -7.057 -5.067 -6.338 577 HA PRO 74 HA PRO 74 -9.349 -12.429 -0.838 578 1HB PRO 74 1HB PRO 74 -6.515 -13.264 -0.422 579 2HB PRO 74 2HB PRO 74 -7.997 -14.223 -0.338 580 1HG PRO 74 1HG PRO 74 -6.389 -14.397 -2.452 581 2HG PRO 74 2HG PRO 74 -8.151 -14.433 -2.641 582 1HD PRO 74 1HD PRO 74 -6.226 -12.229 -3.217 583 2HD PRO 74 2HD PRO 74 -7.729 -12.665 -4.055 584 H MET 75 H MET 75 -5.970 -11.490 -0.186 585 HA MET 75 HA MET 75 -6.865 -9.423 1.653 586 1HB MET 75 1HB MET 75 -5.350 -11.887 2.500 587 2HB MET 75 2HB MET 75 -5.313 -10.400 3.436 588 1HG MET 75 1HG MET 75 -7.107 -11.158 4.489 589 2HG MET 75 2HG MET 75 -8.004 -10.827 3.009 590 1HE MET 75 1HE MET 75 -5.440 -14.224 3.464 591 2HE MET 75 2HE MET 75 -6.535 -14.694 4.764 592 3HE MET 75 3HE MET 75 -5.741 -13.120 4.806 593 H LEU 76 H LEU 76 -5.679 -8.817 -0.613 594 HA LEU 76 HA LEU 76 -2.922 -8.893 -0.850 595 1HB LEU 76 1HB LEU 76 -4.629 -8.082 -2.535 596 2HB LEU 76 2HB LEU 76 -4.643 -6.560 -1.662 597 HG LEU 76 HG LEU 76 -3.211 -6.672 -3.748 598 1HD1 LEU 76 1HD1 LEU 76 -1.449 -5.921 -1.508 599 2HD1 LEU 76 2HD1 LEU 76 -3.057 -5.191 -1.528 600 3HD1 LEU 76 3HD1 LEU 76 -1.976 -4.985 -2.908 601 1HD2 LEU 76 1HD2 LEU 76 -1.067 -7.869 -2.100 602 2HD2 LEU 76 2HD2 LEU 76 -1.326 -7.923 -3.841 603 3HD2 LEU 76 3HD2 LEU 76 -2.271 -8.967 -2.778 604 HA PRO 77 HA PRO 77 -1.732 -6.529 2.825 605 1HB PRO 77 1HB PRO 77 0.900 -6.210 1.939 606 2HB PRO 77 2HB PRO 77 0.301 -7.526 2.951 607 1HG PRO 77 1HG PRO 77 0.767 -7.462 0.005 608 2HG PRO 77 2HG PRO 77 1.026 -8.785 1.159 609 1HD PRO 77 1HD PRO 77 -1.082 -8.780 -0.482 610 2HD PRO 77 2HD PRO 77 -1.225 -9.366 1.188 611 H VAL 78 H VAL 78 -2.234 -4.466 2.997 612 HA VAL 78 HA VAL 78 -1.276 -2.565 0.971 613 HB VAL 78 HB VAL 78 -3.842 -2.083 2.420 614 1HG1 VAL 78 1HG1 VAL 78 -2.318 -0.824 0.338 615 2HG1 VAL 78 2HG1 VAL 78 -3.724 -0.230 1.222 616 3HG1 VAL 78 3HG1 VAL 78 -3.944 -1.206 -0.229 617 1HG2 VAL 78 1HG2 VAL 78 -5.103 -3.142 0.647 618 2HG2 VAL 78 2HG2 VAL 78 -4.044 -4.315 1.419 619 3HG2 VAL 78 3HG2 VAL 78 -3.614 -3.641 -0.152 620 H ILE 79 H ILE 79 -0.773 -0.492 1.659 621 HA ILE 79 HA ILE 79 -0.814 0.049 4.538 622 HB ILE 79 HB ILE 79 1.623 0.622 2.861 623 1HG1 ILE 79 1HG1 ILE 79 2.171 -1.384 4.803 624 2HG1 ILE 79 2HG1 ILE 79 0.771 -1.911 3.881 625 1HG2 ILE 79 1HG2 ILE 79 2.333 0.421 5.519 626 2HG2 ILE 79 2HG2 ILE 79 0.772 1.240 5.559 627 3HG2 ILE 79 3HG2 ILE 79 2.097 1.913 4.609 628 1HD1 ILE 79 1HD1 ILE 79 1.954 -2.153 1.962 629 2HD1 ILE 79 2HD1 ILE 79 3.235 -2.460 3.134 630 3HD1 ILE 79 3HD1 ILE 79 3.098 -0.875 2.370 631 H ILE 80 H ILE 80 -1.896 1.918 4.773 632 HA ILE 80 HA ILE 80 -2.009 3.762 2.525 633 HB ILE 80 HB ILE 80 -3.500 3.983 5.131 634 1HG1 ILE 80 1HG1 ILE 80 -4.111 1.862 4.165 635 2HG1 ILE 80 2HG1 ILE 80 -5.415 3.000 3.851 636 1HG2 ILE 80 1HG2 ILE 80 -4.601 5.729 4.252 637 2HG2 ILE 80 2HG2 ILE 80 -4.663 5.011 2.644 638 3HG2 ILE 80 3HG2 ILE 80 -3.208 5.843 3.181 639 1HD1 ILE 80 1HD1 ILE 80 -4.482 3.349 1.582 640 2HD1 ILE 80 2HD1 ILE 80 -5.065 1.714 1.891 641 3HD1 ILE 80 3HD1 ILE 80 -3.335 2.052 1.911 642 H MET 81 H MET 81 -1.386 5.858 2.538 643 HA MET 81 HA MET 81 0.743 6.535 4.358 644 1HB MET 81 1HB MET 81 0.549 8.750 2.855 645 2HB MET 81 2HB MET 81 1.428 7.311 2.378 646 1HG MET 81 1HG MET 81 -1.435 7.534 1.634 647 2HG MET 81 2HG MET 81 -0.240 8.486 0.751 648 1HE MET 81 1HE MET 81 1.920 7.557 0.003 649 2HE MET 81 2HE MET 81 1.976 6.120 -1.017 650 3HE MET 81 3HE MET 81 2.382 6.004 0.696 651 H THR 82 H THR 82 -2.606 7.093 4.463 652 HA THR 82 HA THR 82 -2.172 9.066 6.568 653 HB THR 82 HB THR 82 -4.266 9.680 4.502 654 HG1 THR 82 HG1 THR 82 -2.797 10.415 3.187 655 1HG2 THR 82 1HG2 THR 82 -4.660 11.458 5.750 656 2HG2 THR 82 2HG2 THR 82 -2.968 11.940 5.643 657 3HG2 THR 82 3HG2 THR 82 -3.495 10.860 6.932 658 H ALA 83 H ALA 83 -3.918 9.291 8.042 659 HA ALA 83 HA ALA 83 -6.323 7.761 7.735 660 1HB ALA 83 1HB ALA 83 -4.134 6.367 8.748 661 2HB ALA 83 2HB ALA 83 -5.828 5.876 8.787 662 3HB ALA 83 3HB ALA 83 -5.129 6.750 10.152 663 H HIS 84 H HIS 84 -6.863 10.086 8.071 664 HA HIS 84 HA HIS 84 -6.629 10.976 10.844 665 1HB HIS 84 1HB HIS 84 -7.684 13.116 9.887 666 2HB HIS 84 2HB HIS 84 -6.032 12.732 9.426 667 HD1 HIS 84 HD1 HIS 84 -6.455 14.302 7.338 668 HD2 HIS 84 HD2 HIS 84 -8.719 10.823 7.420 669 HE1 HIS 84 HE1 HIS 84 -7.368 14.036 5.013 670 HE2 HIS 84 HE2 HIS 84 -8.662 11.877 5.066 671 H SER 85 H SER 85 -8.997 9.631 8.719 672 HA SER 85 HA SER 85 -10.903 9.562 10.866 673 1HB SER 85 1HB SER 85 -11.387 11.321 8.471 674 2HB SER 85 2HB SER 85 -12.721 10.642 9.404 675 HG SER 85 HG SER 85 -12.362 12.482 10.448 676 H ASP 86 H ASP 86 -13.081 8.626 9.973 677 HA ASP 86 HA ASP 86 -14.098 6.755 9.177 678 1HB ASP 86 1HB ASP 86 -13.114 8.185 6.969 679 2HB ASP 86 2HB ASP 86 -12.711 6.503 6.651 680 H LEU 87 H LEU 87 -11.609 6.491 10.653 681 HA LEU 87 HA LEU 87 -9.825 4.624 9.719 682 1HB LEU 87 1HB LEU 87 -10.633 5.675 12.275 683 2HB LEU 87 2HB LEU 87 -10.269 3.966 12.414 684 HG LEU 87 HG LEU 87 -8.300 5.277 12.927 685 1HD1 LEU 87 1HD1 LEU 87 -8.123 3.103 11.675 686 2HD1 LEU 87 2HD1 LEU 87 -6.739 4.185 11.516 687 3HD1 LEU 87 3HD1 LEU 87 -7.912 4.056 10.206 688 1HD2 LEU 87 1HD2 LEU 87 -7.821 7.172 11.877 689 2HD2 LEU 87 2HD2 LEU 87 -9.226 6.934 10.839 690 3HD2 LEU 87 3HD2 LEU 87 -7.650 6.317 10.344 691 H ASP 88 H ASP 88 -13.139 4.157 10.482 692 HA ASP 88 HA ASP 88 -13.343 1.555 11.278 693 1HB ASP 88 1HB ASP 88 -15.051 3.301 9.564 694 2HB ASP 88 2HB ASP 88 -15.458 1.592 9.685 695 H ALA 89 H ALA 89 -13.184 2.634 7.864 696 HA ALA 89 HA ALA 89 -13.122 -0.007 6.847 697 1HB ALA 89 1HB ALA 89 -12.693 0.957 4.706 698 2HB ALA 89 2HB ALA 89 -12.150 2.465 5.444 699 3HB ALA 89 3HB ALA 89 -13.844 1.997 5.550 700 H ALA 90 H ALA 90 -10.716 1.994 8.250 701 HA ALA 90 HA ALA 90 -8.423 0.950 6.951 702 1HB ALA 90 1HB ALA 90 -8.562 2.061 9.752 703 2HB ALA 90 2HB ALA 90 -8.433 3.046 8.300 704 3HB ALA 90 3HB ALA 90 -7.136 1.937 8.725 705 H VAL 91 H VAL 91 -9.849 0.198 10.138 706 HA VAL 91 HA VAL 91 -8.102 -1.917 10.710 707 HB VAL 91 HB VAL 91 -10.908 -1.818 11.774 708 1HG1 VAL 91 1HG1 VAL 91 -9.231 -2.480 13.811 709 2HG1 VAL 91 2HG1 VAL 91 -8.384 -3.179 12.427 710 3HG1 VAL 91 3HG1 VAL 91 -10.053 -3.646 12.773 711 1HG2 VAL 91 1HG2 VAL 91 -9.927 0.443 11.944 712 2HG2 VAL 91 2HG2 VAL 91 -8.537 -0.241 12.785 713 3HG2 VAL 91 3HG2 VAL 91 -10.138 -0.313 13.522 714 H SER 92 H SER 92 -11.323 -1.917 9.232 715 HA SER 92 HA SER 92 -11.563 -4.708 8.987 716 1HB SER 92 1HB SER 92 -13.307 -4.287 7.386 717 2HB SER 92 2HB SER 92 -13.414 -3.031 8.622 718 HG SER 92 HG SER 92 -12.031 -1.782 7.089 719 H ALA 93 H ALA 93 -9.774 -2.327 7.237 720 HA ALA 93 HA ALA 93 -9.301 -3.646 4.828 721 1HB ALA 93 1HB ALA 93 -8.656 -1.245 5.692 722 2HB ALA 93 2HB ALA 93 -7.733 -2.032 4.413 723 3HB ALA 93 3HB ALA 93 -7.134 -2.047 6.072 724 H TYR 94 H TYR 94 -7.451 -3.633 7.816 725 HA TYR 94 HA TYR 94 -5.431 -5.401 7.023 726 1HB TYR 94 1HB TYR 94 -6.413 -5.384 9.853 727 2HB TYR 94 2HB TYR 94 -4.759 -5.460 9.256 728 HD1 TYR 94 HD1 TYR 94 -4.755 -3.135 7.405 729 HD2 TYR 94 HD2 TYR 94 -6.383 -3.555 11.316 730 HE1 TYR 94 HE1 TYR 94 -4.523 -0.716 7.755 731 HE2 TYR 94 HE2 TYR 94 -6.148 -1.136 11.675 732 HH TYR 94 HH TYR 94 -6.048 0.941 10.200 733 H GLN 95 H GLN 95 -8.621 -5.882 8.242 734 HA GLN 95 HA GLN 95 -8.406 -8.682 8.731 735 1HB GLN 95 1HB GLN 95 -10.115 -7.618 9.924 736 2HB GLN 95 2HB GLN 95 -10.658 -6.708 8.526 737 1HG GLN 95 1HG GLN 95 -11.129 -9.328 7.795 738 2HG GLN 95 2HG GLN 95 -11.508 -9.300 9.515 739 1HE2 GLN 95 1HE2 GLN 95 -11.870 -6.846 6.989 740 2HE2 GLN 95 2HE2 GLN 95 -13.569 -6.623 7.200 741 H GLN 96 H GLN 96 -9.497 -6.707 6.018 742 HA GLN 96 HA GLN 96 -10.126 -9.067 4.470 743 1HB GLN 96 1HB GLN 96 -10.996 -7.540 2.809 744 2HB GLN 96 2HB GLN 96 -11.676 -7.181 4.388 745 1HG GLN 96 1HG GLN 96 -9.678 -5.474 4.488 746 2HG GLN 96 2HG GLN 96 -9.769 -5.608 2.734 747 1HE2 GLN 96 1HE2 GLN 96 -10.340 -3.366 2.750 748 2HE2 GLN 96 2HE2 GLN 96 -11.966 -2.886 3.081 749 H GLY 97 H GLY 97 -7.395 -7.207 5.021 750 1HA GLY 97 1HA GLY 97 -5.461 -8.257 3.735 751 2HA GLY 97 2HA GLY 97 -6.356 -7.745 2.314 752 H ALA 98 H ALA 98 -4.642 -6.622 5.163 753 HA ALA 98 HA ALA 98 -3.443 -4.478 3.770 754 1HB ALA 98 1HB ALA 98 -5.226 -3.085 3.923 755 2HB ALA 98 2HB ALA 98 -4.505 -2.768 5.502 756 3HB ALA 98 3HB ALA 98 -5.856 -3.884 5.359 757 H PHE 99 H PHE 99 -1.613 -3.765 4.851 758 HA PHE 99 HA PHE 99 -0.850 -5.285 7.138 759 1HB PHE 99 1HB PHE 99 0.804 -4.653 5.438 760 2HB PHE 99 2HB PHE 99 0.568 -2.954 5.838 761 HD1 PHE 99 HD1 PHE 99 1.134 -6.084 7.786 762 HD2 PHE 99 HD2 PHE 99 2.318 -2.067 7.035 763 HE1 PHE 99 HE1 PHE 99 2.846 -6.266 9.541 764 HE2 PHE 99 HE2 PHE 99 4.041 -2.243 8.785 765 HZ PHE 99 HZ PHE 99 4.305 -4.344 10.042 766 H ASP 100 H ASP 100 -1.309 -1.790 6.602 767 HA ASP 100 HA ASP 100 -2.660 -1.305 8.982 768 1HB ASP 100 1HB ASP 100 -0.975 -0.374 10.440 769 2HB ASP 100 2HB ASP 100 -0.512 -2.017 10.021 770 H TYR 101 H TYR 101 -1.873 1.196 9.712 771 HA TYR 101 HA TYR 101 -1.950 2.748 7.207 772 1HB TYR 101 1HB TYR 101 -3.687 2.903 9.626 773 2HB TYR 101 2HB TYR 101 -3.234 4.426 8.865 774 HD1 TYR 101 HD1 TYR 101 -4.592 1.072 7.936 775 HD2 TYR 101 HD2 TYR 101 -4.593 5.251 7.195 776 HE1 TYR 101 HE1 TYR 101 -6.393 0.768 6.290 777 HE2 TYR 101 HE2 TYR 101 -6.393 4.969 5.547 778 HH TYR 101 HH TYR 101 -8.095 1.984 5.173 779 H LEU 102 H LEU 102 -0.951 4.839 7.299 780 HA LEU 102 HA LEU 102 0.693 5.394 9.649 781 1HB LEU 102 1HB LEU 102 2.739 5.344 8.566 782 2HB LEU 102 2HB LEU 102 1.918 3.962 7.873 783 HG LEU 102 HG LEU 102 1.270 5.968 6.108 784 1HD1 LEU 102 1HD1 LEU 102 3.036 7.367 5.719 785 2HD1 LEU 102 2HD1 LEU 102 4.192 6.323 6.546 786 3HD1 LEU 102 3HD1 LEU 102 3.045 7.286 7.480 787 1HD2 LEU 102 1HD2 LEU 102 2.381 3.529 5.953 788 2HD2 LEU 102 2HD2 LEU 102 3.788 4.521 5.553 789 3HD2 LEU 102 3HD2 LEU 102 2.311 4.650 4.595 790 HA PRO 103 HA PRO 103 -0.576 9.592 9.002 791 1HB PRO 103 1HB PRO 103 2.254 10.266 9.654 792 2HB PRO 103 2HB PRO 103 0.760 10.896 10.354 793 1HG PRO 103 1HG PRO 103 2.243 9.131 11.684 794 2HG PRO 103 2HG PRO 103 0.473 9.052 11.732 795 1HD PRO 103 1HD PRO 103 2.410 7.340 10.243 796 2HD PRO 103 2HD PRO 103 0.859 6.906 10.988 797 H LYS 104 H LYS 104 -0.040 11.514 7.656 798 HA LYS 104 HA LYS 104 0.399 10.992 5.040 799 1HB LYS 104 1HB LYS 104 -0.327 13.194 5.967 800 2HB LYS 104 2HB LYS 104 1.355 13.540 6.349 801 1HG LYS 104 1HG LYS 104 0.586 14.589 4.247 802 2HG LYS 104 2HG LYS 104 1.955 13.499 4.024 803 1HD LYS 104 1HD LYS 104 -0.500 12.039 3.729 804 2HD LYS 104 2HD LYS 104 -0.528 13.461 2.688 805 1HE LYS 104 1HE LYS 104 1.575 12.811 1.681 806 2HE LYS 104 2HE LYS 104 1.711 11.446 2.788 807 1HZ LYS 104 1HZ LYS 104 -0.415 11.796 0.750 808 2HZ LYS 104 2HZ LYS 104 -0.259 10.476 1.790 809 3HZ LYS 104 3HZ LYS 104 0.911 10.753 0.596 810 HA PRO 105 HA PRO 105 5.236 12.006 5.579 811 1HB PRO 105 1HB PRO 105 5.974 10.667 7.965 812 2HB PRO 105 2HB PRO 105 6.037 12.405 7.663 813 1HG PRO 105 1HG PRO 105 3.982 10.810 9.086 814 2HG PRO 105 2HG PRO 105 4.481 12.490 9.344 815 1HD PRO 105 1HD PRO 105 2.149 11.878 8.168 816 2HD PRO 105 2HD PRO 105 3.100 13.289 7.664 817 H PHE 106 H PHE 106 6.896 10.288 5.263 818 HA PHE 106 HA PHE 106 6.515 7.614 5.684 819 1HB PHE 106 1HB PHE 106 5.915 7.040 3.176 820 2HB PHE 106 2HB PHE 106 4.684 7.226 4.410 821 HD1 PHE 106 HD1 PHE 106 6.275 10.272 3.203 822 HD2 PHE 106 HD2 PHE 106 3.104 7.506 2.597 823 HE1 PHE 106 HE1 PHE 106 5.128 11.917 1.783 824 HE2 PHE 106 HE2 PHE 106 1.943 9.149 1.169 825 HZ PHE 106 HZ PHE 106 2.959 11.356 0.760 826 H ASP 107 H ASP 107 7.162 8.814 2.413 827 HA ASP 107 HA ASP 107 9.015 8.580 1.123 828 1HB ASP 107 1HB ASP 107 11.004 9.699 1.934 829 2HB ASP 107 2HB ASP 107 9.588 10.611 2.438 830 H ILE 108 H ILE 108 11.562 7.736 1.466 831 HA ILE 108 HA ILE 108 11.228 5.002 1.717 832 HB ILE 108 HB ILE 108 13.565 6.767 1.477 833 1HG1 ILE 108 1HG1 ILE 108 13.962 5.599 -0.507 834 2HG1 ILE 108 2HG1 ILE 108 13.064 4.186 0.044 835 1HG2 ILE 108 1HG2 ILE 108 14.652 5.481 3.044 836 2HG2 ILE 108 2HG2 ILE 108 15.008 4.603 1.558 837 3HG2 ILE 108 3HG2 ILE 108 13.739 4.031 2.635 838 1HD1 ILE 108 1HD1 ILE 108 11.870 5.398 -1.680 839 2HD1 ILE 108 2HD1 ILE 108 11.877 6.850 -0.685 840 3HD1 ILE 108 3HD1 ILE 108 10.990 5.424 -0.158 841 H ASP 109 H ASP 109 12.671 7.204 4.032 842 HA ASP 109 HA ASP 109 13.424 5.395 5.944 843 1HB ASP 109 1HB ASP 109 13.488 8.071 5.812 844 2HB ASP 109 2HB ASP 109 12.154 7.886 6.945 845 H GLU 110 H GLU 110 10.289 7.122 5.967 846 HA GLU 110 HA GLU 110 9.286 5.389 7.987 847 1HB GLU 110 1HB GLU 110 7.776 7.459 6.425 848 2HB GLU 110 2HB GLU 110 7.279 6.731 7.934 849 1HG GLU 110 1HG GLU 110 9.848 8.223 7.816 850 2HG GLU 110 2HG GLU 110 8.324 9.123 7.834 851 H ALA 111 H ALA 111 8.969 5.498 4.488 852 HA ALA 111 HA ALA 111 6.708 3.714 4.556 853 1HB ALA 111 1HB ALA 111 6.657 5.280 2.783 854 2HB ALA 111 2HB ALA 111 6.949 3.693 2.063 855 3HB ALA 111 3HB ALA 111 8.282 4.829 2.252 856 H VAL 112 H VAL 112 10.137 3.487 3.577 857 HA VAL 112 HA VAL 112 10.052 0.754 2.912 858 HB VAL 112 HB VAL 112 12.414 2.286 3.995 859 1HG1 VAL 112 1HG1 VAL 112 12.113 -0.442 3.487 860 2HG1 VAL 112 2HG1 VAL 112 13.622 0.438 3.739 861 3HG1 VAL 112 3HG1 VAL 112 13.008 0.195 2.105 862 1HG2 VAL 112 1HG2 VAL 112 12.721 1.989 1.263 863 2HG2 VAL 112 2HG2 VAL 112 12.265 3.459 2.114 864 3HG2 VAL 112 3HG2 VAL 112 11.019 2.407 1.456 865 H ALA 113 H ALA 113 10.389 2.473 5.900 866 HA ALA 113 HA ALA 113 11.281 0.421 7.584 867 1HB ALA 113 1HB ALA 113 11.097 2.056 9.098 868 2HB ALA 113 2HB ALA 113 9.347 2.114 8.876 869 3HB ALA 113 3HB ALA 113 10.396 3.070 7.835 870 H LEU 114 H LEU 114 8.044 1.545 6.798 871 HA LEU 114 HA LEU 114 6.696 -0.493 8.239 872 1HB LEU 114 1HB LEU 114 5.931 1.879 7.689 873 2HB LEU 114 2HB LEU 114 5.518 1.255 6.106 874 HG LEU 114 HG LEU 114 3.940 -0.328 7.162 875 1HD1 LEU 114 1HD1 LEU 114 3.364 -0.113 9.492 876 2HD1 LEU 114 2HD1 LEU 114 4.553 1.170 9.704 877 3HD1 LEU 114 3HD1 LEU 114 5.083 -0.474 9.351 878 1HD2 LEU 114 1HD2 LEU 114 3.478 2.155 6.481 879 2HD2 LEU 114 2HD2 LEU 114 3.243 2.370 8.217 880 3HD2 LEU 114 3HD2 LEU 114 2.250 1.215 7.329 881 H VAL 115 H VAL 115 7.955 -0.312 5.022 882 HA VAL 115 HA VAL 115 6.143 -2.275 3.971 883 HB VAL 115 HB VAL 115 7.314 -0.491 2.579 884 1HG1 VAL 115 1HG1 VAL 115 9.475 -0.926 1.707 885 2HG1 VAL 115 2HG1 VAL 115 9.537 -2.515 2.469 886 3HG1 VAL 115 3HG1 VAL 115 9.599 -1.059 3.457 887 1HG2 VAL 115 1HG2 VAL 115 6.190 -1.821 1.159 888 2HG2 VAL 115 2HG2 VAL 115 6.762 -3.298 1.935 889 3HG2 VAL 115 3HG2 VAL 115 7.787 -2.461 0.770 890 H GLU 116 H GLU 116 9.573 -2.319 4.918 891 HA GLU 116 HA GLU 116 9.968 -5.063 4.355 892 1HB GLU 116 1HB GLU 116 11.440 -3.240 6.269 893 2HB GLU 116 2HB GLU 116 11.991 -4.834 5.773 894 1HG GLU 116 1HG GLU 116 12.008 -4.015 3.420 895 2HG GLU 116 2HG GLU 116 11.654 -2.403 4.036 896 H ARG 117 H ARG 117 8.977 -3.311 7.249 897 HA ARG 117 HA ARG 117 9.012 -5.511 9.012 898 1HB ARG 117 1HB ARG 117 7.498 -2.903 9.068 899 2HB ARG 117 2HB ARG 117 7.425 -4.078 10.374 900 1HG ARG 117 1HG ARG 117 9.844 -3.877 10.683 901 2HG ARG 117 2HG ARG 117 9.903 -2.680 9.389 902 1HD ARG 117 1HD ARG 117 9.742 -1.249 11.138 903 2HD ARG 117 2HD ARG 117 8.020 -1.557 10.914 904 HE ARG 117 HE ARG 117 7.989 -2.647 12.925 905 1HH1 ARG 117 1HH1 ARG 117 11.301 -2.292 11.884 906 2HH1 ARG 117 2HH1 ARG 117 11.963 -2.893 13.366 907 1HH2 ARG 117 1HH2 ARG 117 8.858 -3.438 14.875 908 2HH2 ARG 117 2HH2 ARG 117 10.577 -3.544 15.065 909 H ALA 118 H ALA 118 6.810 -4.498 6.572 910 HA ALA 118 HA ALA 118 4.529 -5.893 7.550 911 1HB ALA 118 1HB ALA 118 5.095 -4.904 4.761 912 2HB ALA 118 2HB ALA 118 4.336 -3.961 6.045 913 3HB ALA 118 3HB ALA 118 3.524 -5.389 5.401 914 H ILE 119 H ILE 119 6.898 -6.538 4.979 915 HA ILE 119 HA ILE 119 5.821 -9.052 4.265 916 HB ILE 119 HB ILE 119 8.673 -8.168 3.884 917 1HG1 ILE 119 1HG1 ILE 119 6.709 -7.796 1.699 918 2HG1 ILE 119 2HG1 ILE 119 6.566 -6.685 3.057 919 1HG2 ILE 119 1HG2 ILE 119 8.414 -9.573 1.801 920 2HG2 ILE 119 2HG2 ILE 119 6.909 -10.169 2.499 921 3HG2 ILE 119 3HG2 ILE 119 8.440 -10.453 3.329 922 1HD1 ILE 119 1HD1 ILE 119 8.784 -5.904 2.748 923 2HD1 ILE 119 2HD1 ILE 119 7.983 -5.880 1.177 924 3HD1 ILE 119 3HD1 ILE 119 9.124 -7.167 1.565 925 H SER 120 H SER 120 8.099 -7.996 6.645 926 HA SER 120 HA SER 120 9.169 -10.562 7.255 927 1HB SER 120 1HB SER 120 9.266 -7.868 8.577 928 2HB SER 120 2HB SER 120 9.877 -9.294 9.417 929 HG SER 120 HG SER 120 11.533 -8.284 8.245 930 H HIS 121 H HIS 121 6.592 -8.552 8.587 931 HA HIS 121 HA HIS 121 6.015 -10.371 10.730 932 1HB HIS 121 1HB HIS 121 4.779 -7.854 9.690 933 2HB HIS 121 2HB HIS 121 3.851 -8.878 10.781 934 HD1 HIS 121 HD1 HIS 121 7.220 -7.122 10.697 935 HD2 HIS 121 HD2 HIS 121 4.352 -8.423 13.406 936 HE1 HIS 121 HE1 HIS 121 7.990 -6.291 12.941 937 HE2 HIS 121 HE2 HIS 121 6.189 -7.007 14.550 938 H TYR 122 H TYR 122 4.931 -9.894 7.479 939 HA TYR 122 HA TYR 122 2.537 -11.407 7.677 940 1HB TYR 122 1HB TYR 122 3.038 -9.720 5.884 941 2HB TYR 122 2HB TYR 122 4.168 -10.878 5.189 942 HD1 TYR 122 HD1 TYR 122 0.637 -10.962 6.448 943 HD2 TYR 122 HD2 TYR 122 3.364 -11.986 3.346 944 HE1 TYR 122 HE1 TYR 122 -1.203 -11.988 5.176 945 HE2 TYR 122 HE2 TYR 122 1.533 -13.013 2.067 946 HH TYR 122 HH TYR 122 -0.661 -13.946 2.415 947 H GLN 123 H GLN 123 5.753 -12.148 6.349 948 HA GLN 123 HA GLN 123 5.120 -14.891 5.900 949 1HB GLN 123 1HB GLN 123 6.998 -13.235 4.890 950 2HB GLN 123 2HB GLN 123 7.960 -14.085 6.091 951 1HG GLN 123 1HG GLN 123 6.687 -16.153 4.894 952 2HG GLN 123 2HG GLN 123 6.843 -15.024 3.549 953 1HE2 GLN 123 1HE2 GLN 123 8.584 -16.887 5.942 954 2HE2 GLN 123 2HE2 GLN 123 10.111 -16.859 5.137 955 H GLU 124 H GLU 124 6.658 -16.610 6.829 956 HA GLU 124 HA GLU 124 6.331 -16.587 9.674 957 1HB GLU 124 1HB GLU 124 6.152 -18.600 8.081 958 2HB GLU 124 2HB GLU 124 7.910 -18.628 8.122 959 1HG GLU 124 1HG GLU 124 6.968 -18.472 10.793 960 2HG GLU 124 2HG GLU 124 6.073 -19.744 9.964 Start of MODEL 11 1 1H MET 1 1H MET 1 9.901 -17.864 -3.474 2 2H MET 1 2H MET 1 11.212 -18.409 -2.514 3 3H MET 1 3H MET 1 11.489 -17.883 -4.123 4 HA MET 1 HA MET 1 10.163 -15.879 -2.691 5 1HB MET 1 1HB MET 1 11.944 -15.416 -1.038 6 2HB MET 1 2HB MET 1 11.101 -16.924 -0.711 7 1HG MET 1 1HG MET 1 13.354 -17.444 -2.387 8 2HG MET 1 2HG MET 1 13.865 -16.498 -0.990 9 1HE MET 1 1HE MET 1 14.246 -20.098 -1.835 10 2HE MET 1 2HE MET 1 14.890 -20.172 -0.195 11 3HE MET 1 3HE MET 1 15.277 -18.800 -1.233 12 H GLN 2 H GLN 2 10.390 -14.781 -4.601 13 HA GLN 2 HA GLN 2 12.922 -13.525 -5.061 14 1HB GLN 2 1HB GLN 2 12.819 -15.841 -6.337 15 2HB GLN 2 2HB GLN 2 11.886 -14.898 -7.493 16 1HG GLN 2 1HG GLN 2 13.777 -13.271 -7.571 17 2HG GLN 2 2HG GLN 2 14.709 -14.400 -6.588 18 1HE2 GLN 2 1HE2 GLN 2 12.539 -14.749 -9.375 19 2HE2 GLN 2 2HE2 GLN 2 13.657 -15.635 -10.350 20 H ARG 3 H ARG 3 9.558 -13.890 -5.709 21 HA ARG 3 HA ARG 3 9.338 -11.743 -7.560 22 1HB ARG 3 1HB ARG 3 7.700 -13.649 -7.335 23 2HB ARG 3 2HB ARG 3 7.140 -12.899 -5.847 24 1HG ARG 3 1HG ARG 3 5.720 -11.703 -7.053 25 2HG ARG 3 2HG ARG 3 7.101 -10.870 -7.768 26 1HD ARG 3 1HD ARG 3 6.082 -13.489 -8.830 27 2HD ARG 3 2HD ARG 3 5.438 -11.938 -9.369 28 HE ARG 3 HE ARG 3 8.312 -12.197 -9.530 29 1HH1 ARG 3 1HH1 ARG 3 5.267 -12.575 -11.200 30 2HH1 ARG 3 2HH1 ARG 3 5.981 -12.481 -12.775 31 1HH2 ARG 3 1HH2 ARG 3 9.246 -12.078 -11.598 32 2HH2 ARG 3 2HH2 ARG 3 8.239 -12.202 -13.002 33 H GLY 4 H GLY 4 10.849 -10.705 -5.626 34 1HA GLY 4 1HA GLY 4 9.438 -9.389 -3.533 35 2HA GLY 4 2HA GLY 4 11.045 -8.976 -4.116 36 H ILE 5 H ILE 5 7.608 -8.392 -4.494 37 HA ILE 5 HA ILE 5 8.291 -6.054 -6.163 38 HB ILE 5 HB ILE 5 5.632 -7.428 -6.286 39 1HG1 ILE 5 1HG1 ILE 5 6.971 -9.235 -6.915 40 2HG1 ILE 5 2HG1 ILE 5 6.570 -8.482 -8.450 41 1HG2 ILE 5 1HG2 ILE 5 6.353 -5.065 -7.267 42 2HG2 ILE 5 2HG2 ILE 5 5.197 -6.117 -8.082 43 3HG2 ILE 5 3HG2 ILE 5 6.881 -6.083 -8.607 44 1HD1 ILE 5 1HD1 ILE 5 8.720 -8.391 -8.928 45 2HD1 ILE 5 2HD1 ILE 5 9.123 -9.060 -7.345 46 3HD1 ILE 5 3HD1 ILE 5 8.975 -7.316 -7.555 47 H VAL 6 H VAL 6 7.909 -4.190 -5.182 48 HA VAL 6 HA VAL 6 5.797 -4.063 -3.138 49 HB VAL 6 HB VAL 6 8.158 -3.372 -2.488 50 1HG1 VAL 6 1HG1 VAL 6 7.510 -0.958 -4.180 51 2HG1 VAL 6 2HG1 VAL 6 8.719 -2.179 -4.568 52 3HG1 VAL 6 3HG1 VAL 6 8.917 -1.164 -3.147 53 1HG2 VAL 6 1HG2 VAL 6 6.582 -0.946 -2.049 54 2HG2 VAL 6 2HG2 VAL 6 7.251 -2.090 -0.889 55 3HG2 VAL 6 3HG2 VAL 6 5.721 -2.439 -1.687 56 H TRP 7 H TRP 7 3.970 -3.053 -3.669 57 HA TRP 7 HA TRP 7 4.054 -1.248 -5.981 58 1HB TRP 7 1HB TRP 7 1.943 -3.098 -4.938 59 2HB TRP 7 2HB TRP 7 1.489 -1.716 -5.936 60 HD1 TRP 7 HD1 TRP 7 4.811 -3.138 -6.879 61 HE1 TRP 7 HE1 TRP 7 4.618 -4.465 -9.070 62 HE3 TRP 7 HE3 TRP 7 -0.279 -3.374 -7.226 63 HZ2 TRP 7 HZ2 TRP 7 2.570 -5.484 -10.727 64 HZ3 TRP 7 HZ3 TRP 7 -1.278 -4.542 -9.147 65 HH2 TRP 7 HH2 TRP 7 0.119 -5.578 -10.858 66 H VAL 8 H VAL 8 3.343 0.799 -5.831 67 HA VAL 8 HA VAL 8 2.344 1.671 -3.198 68 HB VAL 8 HB VAL 8 4.058 3.568 -4.698 69 1HG1 VAL 8 1HG1 VAL 8 3.831 4.593 -2.750 70 2HG1 VAL 8 2HG1 VAL 8 4.843 3.346 -2.022 71 3HG1 VAL 8 3HG1 VAL 8 3.090 3.166 -2.027 72 1HG2 VAL 8 1HG2 VAL 8 5.715 2.066 -5.006 73 2HG2 VAL 8 2HG2 VAL 8 5.070 0.945 -3.807 74 3HG2 VAL 8 3HG2 VAL 8 6.010 2.342 -3.291 75 H VAL 9 H VAL 9 0.901 3.357 -3.165 76 HA VAL 9 HA VAL 9 0.174 4.575 -5.732 77 HB VAL 9 HB VAL 9 -2.185 4.221 -4.062 78 1HG1 VAL 9 1HG1 VAL 9 -2.670 2.979 -6.463 79 2HG1 VAL 9 2HG1 VAL 9 -1.362 4.099 -6.857 80 3HG1 VAL 9 3HG1 VAL 9 -2.836 4.701 -6.147 81 1HG2 VAL 9 1HG2 VAL 9 -0.712 1.755 -4.957 82 2HG2 VAL 9 2HG2 VAL 9 -2.446 1.778 -4.640 83 3HG2 VAL 9 3HG2 VAL 9 -1.314 2.139 -3.352 84 H ASP 10 H ASP 10 0.778 6.620 -5.419 85 HA ASP 10 HA ASP 10 -0.592 8.482 -3.969 86 1HB ASP 10 1HB ASP 10 0.186 7.278 -1.914 87 2HB ASP 10 2HB ASP 10 1.845 7.670 -2.358 88 H ASP 11 H ASP 11 -0.125 10.230 -5.087 89 HA ASP 11 HA ASP 11 0.988 11.940 -6.069 90 1HB ASP 11 1HB ASP 11 2.624 11.259 -3.994 91 2HB ASP 11 2HB ASP 11 3.710 11.099 -5.371 92 H ASP 12 H ASP 12 1.796 8.681 -6.775 93 HA ASP 12 HA ASP 12 2.402 7.666 -8.710 94 1HB ASP 12 1HB ASP 12 0.874 9.638 -9.575 95 2HB ASP 12 2HB ASP 12 2.394 10.257 -10.210 96 H SER 13 H SER 13 3.965 9.362 -10.807 97 HA SER 13 HA SER 13 6.437 8.478 -10.609 98 1HB SER 13 1HB SER 13 5.576 10.024 -12.371 99 2HB SER 13 2HB SER 13 5.904 11.368 -11.277 100 HG SER 13 HG SER 13 8.125 10.547 -11.245 101 H SER 14 H SER 14 5.340 11.281 -8.802 102 HA SER 14 HA SER 14 7.744 12.104 -7.706 103 1HB SER 14 1HB SER 14 5.642 13.361 -7.443 104 2HB SER 14 2HB SER 14 5.037 12.120 -6.347 105 HG SER 14 HG SER 14 6.031 13.155 -4.829 106 H ILE 15 H ILE 15 5.358 10.180 -5.882 107 HA ILE 15 HA ILE 15 7.224 9.330 -3.954 108 HB ILE 15 HB ILE 15 4.523 8.200 -4.702 109 1HG1 ILE 15 1HG1 ILE 15 4.637 10.527 -3.767 110 2HG1 ILE 15 2HG1 ILE 15 3.708 9.398 -2.788 111 1HG2 ILE 15 1HG2 ILE 15 5.399 6.373 -3.626 112 2HG2 ILE 15 2HG2 ILE 15 4.802 7.286 -2.241 113 3HG2 ILE 15 3HG2 ILE 15 6.514 7.339 -2.659 114 1HD1 ILE 15 1HD1 ILE 15 6.338 10.674 -2.236 115 2HD1 ILE 15 2HD1 ILE 15 5.964 9.111 -1.509 116 3HD1 ILE 15 3HD1 ILE 15 4.925 10.501 -1.195 117 H ARG 16 H ARG 16 6.541 8.227 -7.126 118 HA ARG 16 HA ARG 16 7.375 5.527 -6.885 119 1HB ARG 16 1HB ARG 16 6.042 6.451 -8.781 120 2HB ARG 16 2HB ARG 16 7.478 7.296 -9.333 121 1HG ARG 16 1HG ARG 16 8.528 4.889 -9.275 122 2HG ARG 16 2HG ARG 16 6.842 4.392 -9.408 123 1HD ARG 16 1HD ARG 16 7.773 4.533 -11.608 124 2HD ARG 16 2HD ARG 16 6.622 5.852 -11.401 125 HE ARG 16 HE ARG 16 8.784 7.165 -10.826 126 1HH1 ARG 16 1HH1 ARG 16 8.479 4.674 -13.264 127 2HH1 ARG 16 2HH1 ARG 16 9.726 5.337 -14.265 128 1HH2 ARG 16 1HH2 ARG 16 10.415 8.029 -12.149 129 2HH2 ARG 16 2HH2 ARG 16 10.822 7.239 -13.635 130 H TRP 17 H TRP 17 9.055 8.345 -8.284 131 HA TRP 17 HA TRP 17 11.504 7.198 -8.767 132 1HB TRP 17 1HB TRP 17 10.916 9.444 -9.520 133 2HB TRP 17 2HB TRP 17 10.947 10.028 -7.859 134 HD1 TRP 17 HD1 TRP 17 13.356 8.649 -10.550 135 HE1 TRP 17 HE1 TRP 17 15.710 9.573 -10.067 136 HE3 TRP 17 HE3 TRP 17 12.391 11.075 -6.153 137 HZ2 TRP 17 HZ2 TRP 17 16.988 11.125 -8.084 138 HZ3 TRP 17 HZ3 TRP 17 14.233 12.255 -5.028 139 HH2 TRP 17 HH2 TRP 17 16.484 12.279 -5.973 140 H VAL 18 H VAL 18 10.404 8.715 -5.752 141 HA VAL 18 HA VAL 18 12.831 8.478 -4.378 142 HB VAL 18 HB VAL 18 10.230 8.277 -2.917 143 1HG1 VAL 18 1HG1 VAL 18 11.349 9.280 -1.171 144 2HG1 VAL 18 2HG1 VAL 18 12.520 10.061 -2.233 145 3HG1 VAL 18 3HG1 VAL 18 12.637 8.331 -1.913 146 1HG2 VAL 18 1HG2 VAL 18 10.335 10.875 -3.006 147 2HG2 VAL 18 2HG2 VAL 18 9.586 9.985 -4.330 148 3HG2 VAL 18 3HG2 VAL 18 11.227 10.607 -4.503 149 H LEU 19 H LEU 19 9.947 6.489 -3.980 150 HA LEU 19 HA LEU 19 11.297 4.557 -2.423 151 1HB LEU 19 1HB LEU 19 8.872 5.067 -2.268 152 2HB LEU 19 2HB LEU 19 8.645 4.248 -3.803 153 HG LEU 19 HG LEU 19 9.255 2.136 -2.867 154 1HD1 LEU 19 1HD1 LEU 19 11.102 2.786 -1.476 155 2HD1 LEU 19 2HD1 LEU 19 9.919 1.931 -0.484 156 3HD1 LEU 19 3HD1 LEU 19 10.031 3.689 -0.404 157 1HD2 LEU 19 1HD2 LEU 19 7.040 3.568 -2.059 158 2HD2 LEU 19 2HD2 LEU 19 7.690 2.934 -0.548 159 3HD2 LEU 19 3HD2 LEU 19 7.285 1.833 -1.865 160 H GLU 20 H GLU 20 10.936 4.858 -5.845 161 HA GLU 20 HA GLU 20 11.145 2.115 -6.455 162 1HB GLU 20 1HB GLU 20 11.567 2.722 -8.708 163 2HB GLU 20 2HB GLU 20 10.373 3.833 -8.076 164 1HG GLU 20 1HG GLU 20 12.090 5.532 -7.829 165 2HG GLU 20 2HG GLU 20 13.300 4.408 -8.443 166 H ARG 21 H ARG 21 13.587 4.652 -6.568 167 HA ARG 21 HA ARG 21 15.746 2.944 -7.104 168 1HB ARG 21 1HB ARG 21 15.644 5.679 -5.839 169 2HB ARG 21 2HB ARG 21 17.147 4.857 -6.227 170 1HG ARG 21 1HG ARG 21 15.232 5.019 -8.441 171 2HG ARG 21 2HG ARG 21 15.856 6.570 -7.875 172 1HD ARG 21 1HD ARG 21 17.898 6.180 -8.708 173 2HD ARG 21 2HD ARG 21 17.907 4.510 -8.142 174 HE ARG 21 HE ARG 21 16.235 5.032 -10.444 175 1HH1 ARG 21 1HH1 ARG 21 19.376 4.029 -9.295 176 2HH1 ARG 21 2HH1 ARG 21 19.782 3.199 -10.757 177 1HH2 ARG 21 1HH2 ARG 21 16.771 3.946 -12.368 178 2HH2 ARG 21 2HH2 ARG 21 18.305 3.151 -12.505 179 H ALA 22 H ALA 22 14.846 4.468 -3.996 180 HA ALA 22 HA ALA 22 16.753 3.204 -2.442 181 1HB ALA 22 1HB ALA 22 15.761 4.187 -0.679 182 2HB ALA 22 2HB ALA 22 14.162 3.591 -1.120 183 3HB ALA 22 3HB ALA 22 14.823 5.014 -1.924 184 H LEU 23 H LEU 23 13.453 2.137 -3.073 185 HA LEU 23 HA LEU 23 13.739 -0.254 -1.572 186 1HB LEU 23 1HB LEU 23 11.576 0.939 -2.214 187 2HB LEU 23 2HB LEU 23 11.752 0.186 -3.782 188 HG LEU 23 HG LEU 23 10.243 -0.888 -1.922 189 1HD1 LEU 23 1HD1 LEU 23 12.107 -2.558 -3.597 190 2HD1 LEU 23 2HD1 LEU 23 10.644 -1.771 -4.182 191 3HD1 LEU 23 3HD1 LEU 23 10.534 -3.042 -2.967 192 1HD2 LEU 23 1HD2 LEU 23 12.963 -1.999 -1.248 193 2HD2 LEU 23 2HD2 LEU 23 11.426 -2.657 -0.688 194 3HD2 LEU 23 3HD2 LEU 23 11.926 -1.040 -0.192 195 H ALA 24 H ALA 24 14.588 0.684 -4.771 196 HA ALA 24 HA ALA 24 14.731 -1.920 -5.899 197 1HB ALA 24 1HB ALA 24 15.669 0.794 -6.669 198 2HB ALA 24 2HB ALA 24 14.703 -0.368 -7.579 199 3HB ALA 24 3HB ALA 24 16.445 -0.592 -7.434 200 H GLY 25 H GLY 25 16.847 0.130 -4.005 201 1HA GLY 25 1HA GLY 25 19.269 -1.259 -4.393 202 2HA GLY 25 2HA GLY 25 18.861 -0.285 -2.983 203 H ALA 26 H ALA 26 16.452 -1.954 -2.487 204 HA ALA 26 HA ALA 26 17.709 -3.909 -0.822 205 1HB ALA 26 1HB ALA 26 15.158 -4.503 -0.479 206 2HB ALA 26 2HB ALA 26 14.934 -2.923 -1.231 207 3HB ALA 26 3HB ALA 26 15.875 -3.068 0.254 208 H GLY 27 H GLY 27 16.564 -3.834 -4.020 209 1HA GLY 27 1HA GLY 27 16.983 -5.583 -5.543 210 2HA GLY 27 2HA GLY 27 16.936 -6.722 -4.213 211 H LEU 28 H LEU 28 14.323 -4.374 -4.540 212 HA LEU 28 HA LEU 28 12.686 -6.542 -5.622 213 1HB LEU 28 1HB LEU 28 11.369 -4.591 -3.843 214 2HB LEU 28 2HB LEU 28 11.030 -6.287 -4.095 215 HG LEU 28 HG LEU 28 13.389 -6.529 -2.867 216 1HD1 LEU 28 1HD1 LEU 28 13.966 -4.335 -2.427 217 2HD1 LEU 28 2HD1 LEU 28 13.213 -4.851 -0.918 218 3HD1 LEU 28 3HD1 LEU 28 12.306 -3.869 -2.065 219 1HD2 LEU 28 1HD2 LEU 28 12.154 -7.477 -1.243 220 2HD2 LEU 28 2HD2 LEU 28 10.793 -7.097 -2.302 221 3HD2 LEU 28 3HD2 LEU 28 11.207 -6.014 -0.973 222 H THR 29 H THR 29 10.598 -5.835 -6.580 223 HA THR 29 HA THR 29 11.123 -3.643 -8.399 224 HB THR 29 HB THR 29 8.813 -5.589 -8.250 225 HG1 THR 29 HG1 THR 29 11.265 -5.545 -9.583 226 1HG2 THR 29 1HG2 THR 29 7.729 -4.295 -9.676 227 2HG2 THR 29 2HG2 THR 29 9.018 -4.608 -10.839 228 3HG2 THR 29 3HG2 THR 29 9.095 -3.185 -9.802 229 H CYS 30 H CYS 30 10.114 -1.712 -8.470 230 HA CYS 30 HA CYS 30 8.026 -1.194 -6.456 231 1HB CYS 30 1HB CYS 30 9.650 1.135 -7.048 232 2HB CYS 30 2HB CYS 30 9.236 0.424 -5.494 233 HG CYS 30 HG CYS 30 11.367 -1.292 -6.375 234 H THR 31 H THR 31 6.201 -0.779 -7.500 235 HA THR 31 HA THR 31 6.307 1.047 -9.808 236 HB THR 31 HB THR 31 5.710 -1.430 -10.320 237 HG1 THR 31 HG1 THR 31 4.004 0.708 -11.074 238 1HG2 THR 31 1HG2 THR 31 3.776 -2.341 -9.701 239 2HG2 THR 31 2HG2 THR 31 2.905 -0.817 -9.787 240 3HG2 THR 31 3HG2 THR 31 3.865 -1.201 -8.358 241 H THR 32 H THR 32 4.620 2.592 -9.917 242 HA THR 32 HA THR 32 3.017 2.789 -7.470 243 HB THR 32 HB THR 32 3.330 5.211 -7.502 244 HG1 THR 32 HG1 THR 32 4.861 4.611 -9.795 245 1HG2 THR 32 1HG2 THR 32 6.087 4.126 -7.749 246 2HG2 THR 32 2HG2 THR 32 5.040 3.574 -6.444 247 3HG2 THR 32 3HG2 THR 32 5.432 5.287 -6.595 248 H PHE 33 H PHE 33 1.125 4.105 -7.587 249 HA PHE 33 HA PHE 33 0.014 4.459 -10.259 250 1HB PHE 33 1HB PHE 33 -1.571 3.149 -8.066 251 2HB PHE 33 2HB PHE 33 -2.005 3.338 -9.745 252 HD1 PHE 33 HD1 PHE 33 0.667 1.808 -7.651 253 HD2 PHE 33 HD2 PHE 33 -1.744 1.538 -11.143 254 HE1 PHE 33 HE1 PHE 33 1.622 -0.404 -8.135 255 HE2 PHE 33 HE2 PHE 33 -0.805 -0.674 -11.629 256 HZ PHE 33 HZ PHE 33 0.876 -1.656 -10.125 257 H GLU 34 H GLU 34 -2.245 5.613 -10.027 258 HA GLU 34 HA GLU 34 -1.785 8.158 -9.164 259 1HB GLU 34 1HB GLU 34 -4.412 8.259 -9.258 260 2HB GLU 34 2HB GLU 34 -3.430 8.050 -10.694 261 1HG GLU 34 1HG GLU 34 -5.289 6.586 -10.845 262 2HG GLU 34 2HG GLU 34 -3.847 5.623 -10.593 263 H ASN 35 H ASN 35 -3.820 5.777 -7.376 264 HA ASN 35 HA ASN 35 -3.020 6.831 -4.889 265 1HB ASN 35 1HB ASN 35 -5.392 8.042 -6.135 266 2HB ASN 35 2HB ASN 35 -5.599 7.555 -4.455 267 1HD2 ASN 35 1HD2 ASN 35 -5.807 10.144 -4.912 268 2HD2 ASN 35 2HD2 ASN 35 -4.408 11.006 -4.387 269 H GLY 36 H GLY 36 -5.028 4.720 -6.735 270 1HA GLY 36 1HA GLY 36 -4.847 2.621 -4.972 271 2HA GLY 36 2HA GLY 36 -6.309 3.472 -4.512 272 H ASN 37 H ASN 37 -7.337 4.176 -7.017 273 HA ASN 37 HA ASN 37 -8.607 1.788 -7.709 274 1HB ASN 37 1HB ASN 37 -8.962 4.480 -8.310 275 2HB ASN 37 2HB ASN 37 -8.708 3.700 -9.869 276 1HD2 ASN 37 1HD2 ASN 37 -10.223 2.462 -6.923 277 2HD2 ASN 37 2HD2 ASN 37 -11.766 2.149 -7.633 278 H GLU 38 H GLU 38 -5.873 3.438 -9.179 279 HA GLU 38 HA GLU 38 -5.693 1.922 -11.509 280 1HB GLU 38 1HB GLU 38 -4.175 3.898 -10.278 281 2HB GLU 38 2HB GLU 38 -3.088 2.537 -10.434 282 1HG GLU 38 1HG GLU 38 -4.690 3.656 -12.712 283 2HG GLU 38 2HG GLU 38 -3.038 4.143 -12.336 284 H VAL 39 H VAL 39 -3.958 1.349 -8.378 285 HA VAL 39 HA VAL 39 -2.634 -0.962 -9.147 286 HB VAL 39 HB VAL 39 -3.860 -0.827 -6.415 287 1HG1 VAL 39 1HG1 VAL 39 -2.213 -2.239 -5.814 288 2HG1 VAL 39 2HG1 VAL 39 -1.017 -1.447 -6.840 289 3HG1 VAL 39 3HG1 VAL 39 -2.160 -2.590 -7.540 290 1HG2 VAL 39 1HG2 VAL 39 -2.109 1.152 -7.648 291 2HG2 VAL 39 2HG2 VAL 39 -1.483 0.486 -6.141 292 3HG2 VAL 39 3HG2 VAL 39 -3.075 1.241 -6.180 293 H LEU 40 H LEU 40 -5.893 -0.697 -7.800 294 HA LEU 40 HA LEU 40 -6.581 -3.345 -7.562 295 1HB LEU 40 1HB LEU 40 -8.490 -1.352 -8.752 296 2HB LEU 40 2HB LEU 40 -8.847 -2.708 -7.698 297 HG LEU 40 HG LEU 40 -7.332 -0.252 -6.836 298 1HD1 LEU 40 1HD1 LEU 40 -9.406 0.640 -7.122 299 2HD1 LEU 40 2HD1 LEU 40 -9.567 -0.018 -5.498 300 3HD1 LEU 40 3HD1 LEU 40 -10.223 -0.898 -6.877 301 1HD2 LEU 40 1HD2 LEU 40 -8.651 -1.767 -4.778 302 2HD2 LEU 40 2HD2 LEU 40 -6.956 -1.288 -4.912 303 3HD2 LEU 40 3HD2 LEU 40 -7.515 -2.776 -5.676 304 H ALA 41 H ALA 41 -6.654 -1.361 -10.494 305 HA ALA 41 HA ALA 41 -7.725 -3.371 -12.172 306 1HB ALA 41 1HB ALA 41 -5.985 -1.141 -13.147 307 2HB ALA 41 2HB ALA 41 -7.622 -0.841 -12.565 308 3HB ALA 41 3HB ALA 41 -7.359 -1.904 -13.949 309 H ALA 42 H ALA 42 -4.450 -2.220 -11.634 310 HA ALA 42 HA ALA 42 -3.193 -4.033 -13.399 311 1HB ALA 42 1HB ALA 42 -2.107 -2.442 -11.083 312 2HB ALA 42 2HB ALA 42 -2.029 -2.044 -12.799 313 3HB ALA 42 3HB ALA 42 -1.104 -3.406 -12.167 314 H LEU 43 H LEU 43 -4.247 -4.277 -10.101 315 HA LEU 43 HA LEU 43 -2.672 -6.538 -9.398 316 1HB LEU 43 1HB LEU 43 -5.014 -5.135 -8.201 317 2HB LEU 43 2HB LEU 43 -4.559 -6.717 -7.594 318 HG LEU 43 HG LEU 43 -2.596 -4.446 -7.748 319 1HD1 LEU 43 1HD1 LEU 43 -3.373 -4.844 -5.086 320 2HD1 LEU 43 2HD1 LEU 43 -4.861 -4.719 -6.021 321 3HD1 LEU 43 3HD1 LEU 43 -3.671 -3.429 -6.094 322 1HD2 LEU 43 1HD2 LEU 43 -1.334 -6.308 -7.397 323 2HD2 LEU 43 2HD2 LEU 43 -2.658 -7.191 -6.636 324 3HD2 LEU 43 3HD2 LEU 43 -1.783 -5.958 -5.726 325 H ALA 44 H ALA 44 -5.642 -6.127 -11.086 326 HA ALA 44 HA ALA 44 -6.931 -8.531 -10.621 327 1HB ALA 44 1HB ALA 44 -6.877 -6.639 -12.919 328 2HB ALA 44 2HB ALA 44 -8.205 -7.068 -11.841 329 3HB ALA 44 3HB ALA 44 -7.697 -8.191 -13.101 330 H SER 45 H SER 45 -3.974 -7.984 -12.266 331 HA SER 45 HA SER 45 -3.953 -10.772 -13.117 332 1HB SER 45 1HB SER 45 -3.413 -8.346 -14.699 333 2HB SER 45 2HB SER 45 -2.251 -9.657 -14.910 334 HG SER 45 HG SER 45 -5.043 -10.082 -15.048 335 H LYS 46 H LYS 46 -2.622 -8.706 -10.984 336 HA LYS 46 HA LYS 46 -0.276 -10.347 -10.700 337 1HB LYS 46 1HB LYS 46 -0.053 -7.940 -12.101 338 2HB LYS 46 2HB LYS 46 0.582 -7.592 -10.497 339 1HG LYS 46 1HG LYS 46 1.640 -10.086 -11.299 340 2HG LYS 46 2HG LYS 46 1.822 -8.972 -12.657 341 1HD LYS 46 1HD LYS 46 2.630 -7.360 -10.697 342 2HD LYS 46 2HD LYS 46 3.046 -8.905 -9.955 343 1HE LYS 46 1HE LYS 46 4.941 -8.796 -11.124 344 2HE LYS 46 2HE LYS 46 3.962 -9.177 -12.540 345 1HZ LYS 46 1HZ LYS 46 4.610 -6.442 -11.579 346 2HZ LYS 46 2HZ LYS 46 3.693 -6.817 -12.949 347 3HZ LYS 46 3HZ LYS 46 5.334 -7.219 -12.897 348 H THR 47 H THR 47 0.787 -10.097 -8.650 349 HA THR 47 HA THR 47 -0.620 -8.482 -6.686 350 HB THR 47 HB THR 47 -0.098 -11.443 -6.427 351 HG1 THR 47 HG1 THR 47 -2.433 -9.869 -6.599 352 1HG2 THR 47 1HG2 THR 47 -0.817 -11.433 -4.222 353 2HG2 THR 47 2HG2 THR 47 -1.470 -9.799 -4.338 354 3HG2 THR 47 3HG2 THR 47 0.276 -10.051 -4.302 355 HA PRO 48 HA PRO 48 3.752 -7.820 -5.764 356 1HB PRO 48 1HB PRO 48 3.418 -5.684 -4.157 357 2HB PRO 48 2HB PRO 48 3.291 -5.558 -5.916 358 1HG PRO 48 1HG PRO 48 1.117 -5.745 -3.868 359 2HG PRO 48 2HG PRO 48 1.216 -4.707 -5.300 360 1HD PRO 48 1HD PRO 48 -0.230 -7.015 -5.224 361 2HD PRO 48 2HD PRO 48 0.491 -6.362 -6.707 362 H ASP 49 H ASP 49 5.025 -7.793 -3.721 363 HA ASP 49 HA ASP 49 3.917 -9.675 -1.855 364 1HB ASP 49 1HB ASP 49 6.572 -8.236 -1.927 365 2HB ASP 49 2HB ASP 49 6.137 -9.428 -0.706 366 H VAL 50 H VAL 50 4.481 -6.237 -1.942 367 HA VAL 50 HA VAL 50 2.970 -5.938 0.539 368 HB VAL 50 HB VAL 50 5.267 -5.936 1.323 369 1HG1 VAL 50 1HG1 VAL 50 6.992 -4.978 0.264 370 2HG1 VAL 50 2HG1 VAL 50 6.093 -3.498 -0.059 371 3HG1 VAL 50 3HG1 VAL 50 5.899 -4.893 -1.119 372 1HG2 VAL 50 1HG2 VAL 50 4.015 -3.196 1.254 373 2HG2 VAL 50 2HG2 VAL 50 5.371 -3.635 2.290 374 3HG2 VAL 50 3HG2 VAL 50 3.813 -4.436 2.491 375 H LEU 51 H LEU 51 1.289 -4.877 -0.375 376 HA LEU 51 HA LEU 51 1.730 -2.794 -2.338 377 1HB LEU 51 1HB LEU 51 -0.091 -4.335 -2.678 378 2HB LEU 51 2HB LEU 51 -0.779 -3.919 -1.120 379 HG LEU 51 HG LEU 51 -1.245 -1.643 -1.927 380 1HD1 LEU 51 1HD1 LEU 51 0.087 -2.677 -4.402 381 2HD1 LEU 51 2HD1 LEU 51 0.383 -1.172 -3.522 382 3HD1 LEU 51 3HD1 LEU 51 -1.089 -1.364 -4.471 383 1HD2 LEU 51 1HD2 LEU 51 -2.950 -3.382 -2.139 384 2HD2 LEU 51 2HD2 LEU 51 -2.309 -3.826 -3.721 385 3HD2 LEU 51 3HD2 LEU 51 -3.040 -2.239 -3.479 386 H LEU 52 H LEU 52 1.501 -0.669 -2.091 387 HA LEU 52 HA LEU 52 0.802 0.392 0.571 388 1HB LEU 52 1HB LEU 52 3.022 0.997 -1.296 389 2HB LEU 52 2HB LEU 52 2.265 2.377 -0.526 390 HG LEU 52 HG LEU 52 3.120 0.112 1.195 391 1HD1 LEU 52 1HD1 LEU 52 5.088 0.311 -0.082 392 2HD1 LEU 52 2HD1 LEU 52 5.366 1.282 1.366 393 3HD1 LEU 52 3HD1 LEU 52 4.953 2.068 -0.158 394 1HD2 LEU 52 1HD2 LEU 52 1.929 2.448 1.724 395 2HD2 LEU 52 2HD2 LEU 52 3.616 2.953 1.822 396 3HD2 LEU 52 3HD2 LEU 52 3.025 1.645 2.849 397 H SER 53 H SER 53 -1.023 1.607 0.537 398 HA SER 53 HA SER 53 -1.811 2.808 -2.036 399 1HB SER 53 1HB SER 53 -3.175 0.944 -0.443 400 2HB SER 53 2HB SER 53 -4.038 2.469 -0.260 401 HG SER 53 HG SER 53 -4.569 2.439 -2.329 402 H ASP 54 H ASP 54 -2.797 4.801 -2.104 403 HA ASP 54 HA ASP 54 -2.008 6.631 -0.041 404 1HB ASP 54 1HB ASP 54 -2.312 6.956 -2.696 405 2HB ASP 54 2HB ASP 54 -3.880 7.538 -2.154 406 H ILE 55 H ILE 55 -4.053 8.461 0.031 407 HA ILE 55 HA ILE 55 -6.523 7.250 0.691 408 HB ILE 55 HB ILE 55 -5.393 6.511 2.621 409 1HG1 ILE 55 1HG1 ILE 55 -6.495 8.767 4.070 410 2HG1 ILE 55 2HG1 ILE 55 -7.577 8.248 2.782 411 1HG2 ILE 55 1HG2 ILE 55 -4.252 9.259 2.693 412 2HG2 ILE 55 2HG2 ILE 55 -3.429 7.699 2.741 413 3HG2 ILE 55 3HG2 ILE 55 -4.315 8.274 4.150 414 1HD1 ILE 55 1HD1 ILE 55 -8.238 6.515 3.981 415 2HD1 ILE 55 2HD1 ILE 55 -7.288 7.139 5.327 416 3HD1 ILE 55 3HD1 ILE 55 -6.578 5.972 4.211 417 H ARG 56 H ARG 56 -6.833 9.006 -0.938 418 HA ARG 56 HA ARG 56 -8.158 11.185 0.151 419 1HB ARG 56 1HB ARG 56 -5.672 11.773 0.644 420 2HB ARG 56 2HB ARG 56 -5.592 12.156 -1.068 421 1HG ARG 56 1HG ARG 56 -7.344 13.804 -0.809 422 2HG ARG 56 2HG ARG 56 -7.510 13.384 0.897 423 1HD ARG 56 1HD ARG 56 -5.346 14.214 1.398 424 2HD ARG 56 2HD ARG 56 -4.936 14.365 -0.310 425 HE ARG 56 HE ARG 56 -6.995 16.018 -0.163 426 1HH1 ARG 56 1HH1 ARG 56 -4.279 15.662 2.006 427 2HH1 ARG 56 2HH1 ARG 56 -4.303 17.321 2.497 428 1HH2 ARG 56 1HH2 ARG 56 -7.026 18.183 0.480 429 2HH2 ARG 56 2HH2 ARG 56 -5.863 18.754 1.629 430 H MET 57 H MET 57 -9.202 9.761 -1.647 431 HA MET 57 HA MET 57 -9.435 11.428 -3.950 432 1HB MET 57 1HB MET 57 -7.419 9.625 -4.189 433 2HB MET 57 2HB MET 57 -8.764 8.708 -4.848 434 1HG MET 57 1HG MET 57 -8.817 11.361 -5.905 435 2HG MET 57 2HG MET 57 -7.215 10.662 -6.134 436 1HE MET 57 1HE MET 57 -6.533 9.080 -7.408 437 2HE MET 57 2HE MET 57 -7.308 8.602 -8.919 438 3HE MET 57 3HE MET 57 -7.456 7.580 -7.491 439 HA PRO 58 HA PRO 58 -12.535 7.724 -4.469 440 1HB PRO 58 1HB PRO 58 -12.542 5.897 -2.430 441 2HB PRO 58 2HB PRO 58 -11.636 5.692 -3.933 442 1HG PRO 58 1HG PRO 58 -10.691 6.712 -1.274 443 2HG PRO 58 2HG PRO 58 -9.917 5.531 -2.353 444 1HD PRO 58 1HD PRO 58 -9.084 8.058 -2.301 445 2HD PRO 58 2HD PRO 58 -9.203 7.179 -3.839 446 H GLY 59 H GLY 59 -14.392 6.774 -2.867 447 1HA GLY 59 1HA GLY 59 -15.777 8.962 -1.884 448 2HA GLY 59 2HA GLY 59 -16.104 7.298 -1.425 449 H MET 60 H MET 60 -14.826 6.396 0.363 450 HA MET 60 HA MET 60 -14.740 8.206 2.555 451 1HB MET 60 1HB MET 60 -13.793 5.347 2.299 452 2HB MET 60 2HB MET 60 -13.837 6.243 3.812 453 1HG MET 60 1HG MET 60 -16.385 6.542 2.782 454 2HG MET 60 2HG MET 60 -15.960 4.874 2.402 455 1HE MET 60 1HE MET 60 -18.404 5.265 5.333 456 2HE MET 60 2HE MET 60 -17.876 3.659 4.829 457 3HE MET 60 3HE MET 60 -18.166 4.911 3.621 458 H ASP 61 H ASP 61 -13.235 9.599 1.208 459 HA ASP 61 HA ASP 61 -11.246 10.542 0.761 460 1HB ASP 61 1HB ASP 61 -9.631 10.548 2.684 461 2HB ASP 61 2HB ASP 61 -11.259 11.093 3.059 462 H GLY 62 H GLY 62 -10.202 7.532 2.397 463 1HA GLY 62 1HA GLY 62 -8.756 6.830 -0.051 464 2HA GLY 62 2HA GLY 62 -7.855 6.974 1.444 465 H LEU 63 H LEU 63 -9.760 5.864 3.195 466 HA LEU 63 HA LEU 63 -9.085 3.192 3.110 467 1HB LEU 63 1HB LEU 63 -11.663 4.160 4.314 468 2HB LEU 63 2HB LEU 63 -10.673 2.807 4.830 469 HG LEU 63 HG LEU 63 -8.905 4.801 5.193 470 1HD1 LEU 63 1HD1 LEU 63 -9.774 6.821 5.152 471 2HD1 LEU 63 2HD1 LEU 63 -10.919 6.364 6.410 472 3HD1 LEU 63 3HD1 LEU 63 -11.343 6.151 4.712 473 1HD2 LEU 63 1HD2 LEU 63 -9.185 4.465 7.441 474 2HD2 LEU 63 2HD2 LEU 63 -10.007 3.045 6.794 475 3HD2 LEU 63 3HD2 LEU 63 -10.942 4.434 7.333 476 H ALA 64 H ALA 64 -11.551 4.885 1.378 477 HA ALA 64 HA ALA 64 -13.303 2.814 0.749 478 1HB ALA 64 1HB ALA 64 -14.193 4.676 -0.122 479 2HB ALA 64 2HB ALA 64 -13.267 4.253 -1.562 480 3HB ALA 64 3HB ALA 64 -12.620 5.420 -0.406 481 H LEU 65 H LEU 65 -10.116 3.582 -0.525 482 HA LEU 65 HA LEU 65 -10.214 1.850 -2.760 483 1HB LEU 65 1HB LEU 65 -7.865 2.126 -2.936 484 2HB LEU 65 2HB LEU 65 -8.529 3.664 -2.426 485 HG LEU 65 HG LEU 65 -7.905 2.723 -0.020 486 1HD1 LEU 65 1HD1 LEU 65 -6.106 1.241 -1.914 487 2HD1 LEU 65 2HD1 LEU 65 -7.113 0.593 -0.620 488 3HD1 LEU 65 3HD1 LEU 65 -5.691 1.551 -0.228 489 1HD2 LEU 65 1HD2 LEU 65 -6.714 4.595 -0.209 490 2HD2 LEU 65 2HD2 LEU 65 -6.641 4.432 -1.965 491 3HD2 LEU 65 3HD2 LEU 65 -5.434 3.639 -0.955 492 H LEU 66 H LEU 66 -9.749 1.332 0.631 493 HA LEU 66 HA LEU 66 -8.491 -1.213 0.502 494 1HB LEU 66 1HB LEU 66 -10.192 0.114 2.611 495 2HB LEU 66 2HB LEU 66 -9.550 -1.500 2.813 496 HG LEU 66 HG LEU 66 -7.284 -0.684 2.777 497 1HD1 LEU 66 1HD1 LEU 66 -8.566 1.813 1.830 498 2HD1 LEU 66 2HD1 LEU 66 -7.058 1.054 1.335 499 3HD1 LEU 66 3HD1 LEU 66 -7.135 1.954 2.847 500 1HD2 LEU 66 1HD2 LEU 66 -7.530 1.092 4.682 501 2HD2 LEU 66 2HD2 LEU 66 -7.996 -0.584 4.953 502 3HD2 LEU 66 3HD2 LEU 66 -9.229 0.629 4.610 503 H LYS 67 H LYS 67 -11.822 -0.083 0.589 504 HA LYS 67 HA LYS 67 -13.180 -2.498 0.788 505 1HB LYS 67 1HB LYS 67 -13.870 0.036 -0.701 506 2HB LYS 67 2HB LYS 67 -14.974 -1.326 -0.594 507 1HG LYS 67 1HG LYS 67 -13.824 -0.025 1.849 508 2HG LYS 67 2HG LYS 67 -15.290 0.570 1.068 509 1HD LYS 67 1HD LYS 67 -16.500 -1.320 1.604 510 2HD LYS 67 2HD LYS 67 -15.058 -2.326 1.750 511 1HE LYS 67 1HE LYS 67 -15.814 -0.122 3.664 512 2HE LYS 67 2HE LYS 67 -16.155 -1.833 3.921 513 1HZ LYS 67 1HZ LYS 67 -13.737 -2.240 3.778 514 2HZ LYS 67 2HZ LYS 67 -14.165 -1.255 5.085 515 3HZ LYS 67 3HZ LYS 67 -13.478 -0.569 3.701 516 H GLN 68 H GLN 68 -12.093 -0.807 -2.150 517 HA GLN 68 HA GLN 68 -12.938 -2.626 -4.055 518 1HB GLN 68 1HB GLN 68 -10.489 -0.858 -3.965 519 2HB GLN 68 2HB GLN 68 -10.971 -1.765 -5.392 520 1HG GLN 68 1HG GLN 68 -12.372 -0.170 -5.980 521 2HG GLN 68 2HG GLN 68 -13.208 -0.297 -4.431 522 1HE2 GLN 68 1HE2 GLN 68 -13.339 1.547 -3.390 523 2HE2 GLN 68 2HE2 GLN 68 -12.185 2.832 -3.433 524 H ILE 69 H ILE 69 -9.941 -2.572 -2.183 525 HA ILE 69 HA ILE 69 -8.594 -4.671 -3.374 526 HB ILE 69 HB ILE 69 -8.562 -3.759 -0.508 527 1HG1 ILE 69 1HG1 ILE 69 -6.488 -3.248 -2.625 528 2HG1 ILE 69 2HG1 ILE 69 -7.900 -2.215 -2.469 529 1HG2 ILE 69 1HG2 ILE 69 -7.432 -5.632 -0.077 530 2HG2 ILE 69 2HG2 ILE 69 -6.113 -4.901 -0.989 531 3HG2 ILE 69 3HG2 ILE 69 -7.228 -6.011 -1.787 532 1HD1 ILE 69 1HD1 ILE 69 -5.461 -2.216 -0.975 533 2HD1 ILE 69 2HD1 ILE 69 -6.842 -2.433 0.102 534 3HD1 ILE 69 3HD1 ILE 69 -6.777 -1.047 -0.983 535 H LYS 70 H LYS 70 -10.884 -4.779 -0.700 536 HA LYS 70 HA LYS 70 -10.661 -7.540 -0.213 537 1HB LYS 70 1HB LYS 70 -12.612 -7.340 1.135 538 2HB LYS 70 2HB LYS 70 -11.703 -5.848 1.332 539 1HG LYS 70 1HG LYS 70 -13.433 -4.646 0.663 540 2HG LYS 70 2HG LYS 70 -13.572 -5.583 -0.822 541 1HD LYS 70 1HD LYS 70 -14.574 -6.786 1.708 542 2HD LYS 70 2HD LYS 70 -15.531 -5.514 0.945 543 1HE LYS 70 1HE LYS 70 -16.004 -6.788 -0.899 544 2HE LYS 70 2HE LYS 70 -14.530 -7.742 -0.753 545 1HZ LYS 70 1HZ LYS 70 -17.042 -8.014 0.786 546 2HZ LYS 70 2HZ LYS 70 -15.593 -8.715 1.305 547 3HZ LYS 70 3HZ LYS 70 -16.269 -9.175 -0.176 548 H GLN 71 H GLN 71 -12.418 -5.708 -2.551 549 HA GLN 71 HA GLN 71 -14.195 -7.804 -3.284 550 1HB GLN 71 1HB GLN 71 -13.583 -5.071 -4.270 551 2HB GLN 71 2HB GLN 71 -14.364 -6.182 -5.391 552 1HG GLN 71 1HG GLN 71 -16.291 -6.307 -4.140 553 2HG GLN 71 2HG GLN 71 -15.480 -5.834 -2.648 554 1HE2 GLN 71 1HE2 GLN 71 -14.349 -3.549 -3.019 555 2HE2 GLN 71 2HE2 GLN 71 -15.436 -2.335 -3.591 556 H ARG 72 H ARG 72 -11.204 -6.508 -4.544 557 HA ARG 72 HA ARG 72 -11.140 -8.504 -6.662 558 1HB ARG 72 1HB ARG 72 -9.523 -6.056 -6.057 559 2HB ARG 72 2HB ARG 72 -8.914 -7.265 -7.178 560 1HG ARG 72 1HG ARG 72 -9.958 -5.763 -8.581 561 2HG ARG 72 2HG ARG 72 -11.208 -6.985 -8.348 562 1HD ARG 72 1HD ARG 72 -12.586 -5.493 -7.439 563 2HD ARG 72 2HD ARG 72 -11.351 -4.974 -6.293 564 HE ARG 72 HE ARG 72 -10.618 -3.762 -8.601 565 1HH1 ARG 72 1HH1 ARG 72 -13.595 -3.876 -6.783 566 2HH1 ARG 72 2HH1 ARG 72 -14.106 -2.298 -7.281 567 1HH2 ARG 72 1HH2 ARG 72 -11.287 -1.687 -9.255 568 2HH2 ARG 72 2HH2 ARG 72 -12.796 -1.054 -8.686 569 H HIS 73 H HIS 73 -8.591 -7.295 -4.563 570 HA HIS 73 HA HIS 73 -7.641 -10.058 -4.221 571 1HB HIS 73 1HB HIS 73 -5.430 -8.958 -3.703 572 2HB HIS 73 2HB HIS 73 -6.003 -8.748 -5.354 573 HD1 HIS 73 HD1 HIS 73 -4.828 -6.889 -2.479 574 HD2 HIS 73 HD2 HIS 73 -7.219 -6.098 -5.769 575 HE1 HIS 73 HE1 HIS 73 -4.883 -4.388 -2.676 576 HE2 HIS 73 HE2 HIS 73 -6.243 -3.937 -4.743 577 HA PRO 74 HA PRO 74 -8.979 -8.728 0.020 578 1HB PRO 74 1HB PRO 74 -10.387 -10.938 0.621 579 2HB PRO 74 2HB PRO 74 -11.072 -9.621 -0.333 580 1HG PRO 74 1HG PRO 74 -9.942 -12.237 -1.242 581 2HG PRO 74 2HG PRO 74 -11.406 -11.399 -1.791 582 1HD PRO 74 1HD PRO 74 -9.031 -11.334 -3.138 583 2HD PRO 74 2HD PRO 74 -10.236 -10.034 -3.212 584 H MET 75 H MET 75 -6.448 -10.183 -0.895 585 HA MET 75 HA MET 75 -5.993 -11.562 1.650 586 1HB MET 75 1HB MET 75 -5.134 -12.574 -1.061 587 2HB MET 75 2HB MET 75 -4.578 -13.242 0.466 588 1HG MET 75 1HG MET 75 -6.507 -14.333 0.851 589 2HG MET 75 2HG MET 75 -7.497 -13.065 0.130 590 1HE MET 75 1HE MET 75 -5.701 -16.752 -1.819 591 2HE MET 75 2HE MET 75 -6.859 -16.810 -0.487 592 3HE MET 75 3HE MET 75 -5.288 -16.040 -0.259 593 H LEU 76 H LEU 76 -4.701 -9.747 -1.016 594 HA LEU 76 HA LEU 76 -2.009 -9.665 -0.190 595 1HB LEU 76 1HB LEU 76 -2.622 -9.135 -2.445 596 2HB LEU 76 2HB LEU 76 -3.656 -7.833 -1.912 597 HG LEU 76 HG LEU 76 -1.355 -6.901 -0.949 598 1HD1 LEU 76 1HD1 LEU 76 -0.302 -9.068 -1.954 599 2HD1 LEU 76 2HD1 LEU 76 0.535 -7.523 -2.102 600 3HD1 LEU 76 3HD1 LEU 76 -0.382 -8.164 -3.467 601 1HD2 LEU 76 1HD2 LEU 76 -1.789 -5.304 -2.434 602 2HD2 LEU 76 2HD2 LEU 76 -3.038 -6.348 -3.102 603 3HD2 LEU 76 3HD2 LEU 76 -1.415 -6.367 -3.787 604 HA PRO 77 HA PRO 77 -2.286 -6.776 3.184 605 1HB PRO 77 1HB PRO 77 0.308 -6.135 3.447 606 2HB PRO 77 2HB PRO 77 -0.295 -7.748 3.853 607 1HG PRO 77 1HG PRO 77 1.105 -6.818 1.373 608 2HG PRO 77 2HG PRO 77 1.362 -8.300 2.312 609 1HD PRO 77 1HD PRO 77 -0.117 -8.209 0.021 610 2HD PRO 77 2HD PRO 77 -0.403 -9.381 1.319 611 H VAL 78 H VAL 78 -2.848 -4.705 3.262 612 HA VAL 78 HA VAL 78 -1.841 -2.879 1.182 613 HB VAL 78 HB VAL 78 -4.291 -2.320 2.818 614 1HG1 VAL 78 1HG1 VAL 78 -4.816 -0.779 1.188 615 2HG1 VAL 78 2HG1 VAL 78 -3.859 -1.597 -0.047 616 3HG1 VAL 78 3HG1 VAL 78 -3.057 -0.682 1.229 617 1HG2 VAL 78 1HG2 VAL 78 -4.439 -4.620 1.732 618 2HG2 VAL 78 2HG2 VAL 78 -4.414 -3.772 0.186 619 3HG2 VAL 78 3HG2 VAL 78 -5.716 -3.471 1.335 620 H ILE 79 H ILE 79 -1.014 -0.902 1.749 621 HA ILE 79 HA ILE 79 -0.918 -0.252 4.615 622 HB ILE 79 HB ILE 79 1.422 0.204 2.773 623 1HG1 ILE 79 1HG1 ILE 79 1.785 -1.828 4.838 624 2HG1 ILE 79 2HG1 ILE 79 0.571 -2.293 3.653 625 1HG2 ILE 79 1HG2 ILE 79 1.014 1.570 4.898 626 2HG2 ILE 79 2HG2 ILE 79 2.598 0.825 4.693 627 3HG2 ILE 79 3HG2 ILE 79 1.411 0.089 5.768 628 1HD1 ILE 79 1HD1 ILE 79 2.911 -1.199 2.382 629 2HD1 ILE 79 2HD1 ILE 79 2.118 -2.754 2.142 630 3HD1 ILE 79 3HD1 ILE 79 3.314 -2.561 3.424 631 H ILE 80 H ILE 80 -1.902 1.611 4.907 632 HA ILE 80 HA ILE 80 -2.089 3.504 2.707 633 HB ILE 80 HB ILE 80 -3.447 3.636 5.392 634 1HG1 ILE 80 1HG1 ILE 80 -4.023 1.558 4.217 635 2HG1 ILE 80 2HG1 ILE 80 -5.392 2.658 4.241 636 1HG2 ILE 80 1HG2 ILE 80 -3.971 5.680 4.663 637 2HG2 ILE 80 2HG2 ILE 80 -5.033 4.867 3.516 638 3HG2 ILE 80 3HG2 ILE 80 -3.405 5.338 3.031 639 1HD1 ILE 80 1HD1 ILE 80 -4.901 3.313 1.939 640 2HD1 ILE 80 2HD1 ILE 80 -5.193 1.580 2.089 641 3HD1 ILE 80 3HD1 ILE 80 -3.545 2.186 1.918 642 H MET 81 H MET 81 -1.456 5.652 2.798 643 HA MET 81 HA MET 81 0.829 6.176 4.479 644 1HB MET 81 1HB MET 81 0.240 8.556 3.129 645 2HB MET 81 2HB MET 81 1.453 7.365 2.712 646 1HG MET 81 1HG MET 81 -1.361 7.072 1.763 647 2HG MET 81 2HG MET 81 -0.222 8.131 0.934 648 1HE MET 81 1HE MET 81 2.127 6.304 -0.861 649 2HE MET 81 2HE MET 81 2.749 6.010 0.763 650 3HE MET 81 3HE MET 81 1.995 7.556 0.374 651 H THR 82 H THR 82 -2.537 7.078 4.526 652 HA THR 82 HA THR 82 -2.038 8.542 6.997 653 HB THR 82 HB THR 82 -3.720 9.835 4.866 654 HG1 THR 82 HG1 THR 82 -1.762 9.852 3.921 655 1HG2 THR 82 1HG2 THR 82 -3.818 11.656 6.185 656 2HG2 THR 82 2HG2 THR 82 -2.210 11.393 6.862 657 3HG2 THR 82 3HG2 THR 82 -3.583 10.457 7.456 658 H ALA 83 H ALA 83 -3.855 8.711 8.385 659 HA ALA 83 HA ALA 83 -6.211 7.171 7.512 660 1HB ALA 83 1HB ALA 83 -5.574 7.010 10.373 661 2HB ALA 83 2HB ALA 83 -4.436 6.197 9.298 662 3HB ALA 83 3HB ALA 83 -6.148 5.771 9.258 663 H HIS 84 H HIS 84 -6.828 9.529 7.059 664 HA HIS 84 HA HIS 84 -7.667 10.931 9.486 665 1HB HIS 84 1HB HIS 84 -8.195 12.798 7.876 666 2HB HIS 84 2HB HIS 84 -6.498 12.340 7.957 667 HD1 HIS 84 HD1 HIS 84 -9.287 12.735 5.635 668 HD2 HIS 84 HD2 HIS 84 -5.624 10.778 5.663 669 HE1 HIS 84 HE1 HIS 84 -8.796 12.186 3.234 670 HE2 HIS 84 HE2 HIS 84 -6.559 11.039 3.265 671 H SER 85 H SER 85 -9.592 10.410 10.242 672 HA SER 85 HA SER 85 -11.791 9.860 10.393 673 1HB SER 85 1HB SER 85 -11.777 12.153 9.176 674 2HB SER 85 2HB SER 85 -12.250 11.220 7.757 675 HG SER 85 HG SER 85 -13.664 10.756 10.112 676 H ASP 86 H ASP 86 -13.685 8.814 9.275 677 HA ASP 86 HA ASP 86 -14.589 7.032 8.204 678 1HB ASP 86 1HB ASP 86 -12.427 7.598 6.166 679 2HB ASP 86 2HB ASP 86 -13.810 6.539 5.912 680 H LEU 87 H LEU 87 -12.005 6.824 9.930 681 HA LEU 87 HA LEU 87 -10.381 4.751 9.233 682 1HB LEU 87 1HB LEU 87 -11.146 6.074 11.643 683 2HB LEU 87 2HB LEU 87 -11.042 4.354 11.961 684 HG LEU 87 HG LEU 87 -8.846 6.095 10.841 685 1HD1 LEU 87 1HD1 LEU 87 -7.718 5.555 12.961 686 2HD1 LEU 87 2HD1 LEU 87 -9.177 4.728 13.507 687 3HD1 LEU 87 3HD1 LEU 87 -9.208 6.465 13.201 688 1HD2 LEU 87 1HD2 LEU 87 -7.890 4.249 10.064 689 2HD2 LEU 87 2HD2 LEU 87 -9.265 3.289 10.607 690 3HD2 LEU 87 3HD2 LEU 87 -7.902 3.565 11.689 691 H ASP 88 H ASP 88 -13.728 4.557 10.044 692 HA ASP 88 HA ASP 88 -14.079 1.999 10.942 693 1HB ASP 88 1HB ASP 88 -15.734 3.744 9.156 694 2HB ASP 88 2HB ASP 88 -16.254 2.098 9.503 695 H ALA 89 H ALA 89 -13.595 3.015 7.571 696 HA ALA 89 HA ALA 89 -14.019 0.428 6.494 697 1HB ALA 89 1HB ALA 89 -13.162 1.341 4.408 698 2HB ALA 89 2HB ALA 89 -12.588 2.769 5.266 699 3HB ALA 89 3HB ALA 89 -14.314 2.447 5.156 700 H ALA 90 H ALA 90 -11.309 1.927 7.993 701 HA ALA 90 HA ALA 90 -9.262 0.351 6.792 702 1HB ALA 90 1HB ALA 90 -9.334 1.865 9.397 703 2HB ALA 90 2HB ALA 90 -8.628 2.392 7.871 704 3HB ALA 90 3HB ALA 90 -7.898 1.062 8.765 705 H VAL 91 H VAL 91 -11.376 -0.049 9.560 706 HA VAL 91 HA VAL 91 -10.058 -2.185 10.790 707 HB VAL 91 HB VAL 91 -13.045 -1.901 10.782 708 1HG1 VAL 91 1HG1 VAL 91 -11.024 -3.350 12.337 709 2HG1 VAL 91 2HG1 VAL 91 -12.741 -3.691 12.102 710 3HG1 VAL 91 3HG1 VAL 91 -12.236 -2.511 13.311 711 1HG2 VAL 91 1HG2 VAL 91 -12.318 0.305 11.233 712 2HG2 VAL 91 2HG2 VAL 91 -10.990 -0.260 12.248 713 3HG2 VAL 91 3HG2 VAL 91 -12.656 -0.420 12.805 714 H SER 92 H SER 92 -12.586 -2.154 8.312 715 HA SER 92 HA SER 92 -12.979 -4.912 8.127 716 1HB SER 92 1HB SER 92 -13.291 -2.682 6.125 717 2HB SER 92 2HB SER 92 -13.651 -4.356 5.706 718 HG SER 92 HG SER 92 -15.301 -4.372 7.114 719 H ALA 93 H ALA 93 -10.753 -2.810 6.313 720 HA ALA 93 HA ALA 93 -9.622 -4.609 4.595 721 1HB ALA 93 1HB ALA 93 -8.220 -2.424 6.113 722 2HB ALA 93 2HB ALA 93 -9.034 -2.268 4.556 723 3HB ALA 93 3HB ALA 93 -7.575 -3.248 4.694 724 H TYR 94 H TYR 94 -8.810 -4.070 7.962 725 HA TYR 94 HA TYR 94 -6.618 -5.770 8.179 726 1HB TYR 94 1HB TYR 94 -8.723 -5.391 10.315 727 2HB TYR 94 2HB TYR 94 -7.040 -5.842 10.554 728 HD1 TYR 94 HD1 TYR 94 -5.824 -3.821 8.624 729 HD2 TYR 94 HD2 TYR 94 -8.805 -3.440 11.640 730 HE1 TYR 94 HE1 TYR 94 -5.239 -1.446 8.892 731 HE2 TYR 94 HE2 TYR 94 -8.225 -1.065 11.915 732 HH TYR 94 HH TYR 94 -5.991 0.359 11.441 733 H GLN 95 H GLN 95 -9.973 -6.458 7.863 734 HA GLN 95 HA GLN 95 -9.904 -9.138 8.806 735 1HB GLN 95 1HB GLN 95 -12.126 -9.033 8.553 736 2HB GLN 95 2HB GLN 95 -11.904 -7.364 8.073 737 1HG GLN 95 1HG GLN 95 -11.526 -8.962 5.761 738 2HG GLN 95 2HG GLN 95 -12.965 -9.543 6.579 739 1HE2 GLN 95 1HE2 GLN 95 -11.501 -6.941 4.836 740 2HE2 GLN 95 2HE2 GLN 95 -12.932 -5.985 4.655 741 H GLN 96 H GLN 96 -9.779 -7.706 5.550 742 HA GLN 96 HA GLN 96 -9.466 -10.218 4.265 743 1HB GLN 96 1HB GLN 96 -9.099 -7.374 3.383 744 2HB GLN 96 2HB GLN 96 -8.746 -8.724 2.307 745 1HG GLN 96 1HG GLN 96 -11.370 -7.985 3.543 746 2HG GLN 96 2HG GLN 96 -10.931 -7.944 1.841 747 1HE2 GLN 96 1HE2 GLN 96 -13.144 -9.196 2.254 748 2HE2 GLN 96 2HE2 GLN 96 -12.971 -10.915 2.227 749 H GLY 97 H GLY 97 -7.276 -8.158 5.909 750 1HA GLY 97 1HA GLY 97 -5.160 -9.361 6.459 751 2HA GLY 97 2HA GLY 97 -5.024 -9.674 4.737 752 H ALA 98 H ALA 98 -6.104 -6.552 5.936 753 HA ALA 98 HA ALA 98 -4.137 -5.166 4.478 754 1HB ALA 98 1HB ALA 98 -5.305 -3.341 5.021 755 2HB ALA 98 2HB ALA 98 -5.191 -3.671 6.749 756 3HB ALA 98 3HB ALA 98 -6.439 -4.450 5.782 757 H PHE 99 H PHE 99 -2.240 -4.091 5.152 758 HA PHE 99 HA PHE 99 -0.815 -5.435 7.217 759 1HB PHE 99 1HB PHE 99 0.217 -4.556 5.094 760 2HB PHE 99 2HB PHE 99 0.044 -2.934 5.760 761 HD1 PHE 99 HD1 PHE 99 1.494 -6.262 6.606 762 HD2 PHE 99 HD2 PHE 99 1.780 -2.032 6.981 763 HE1 PHE 99 HE1 PHE 99 3.647 -6.513 7.770 764 HE2 PHE 99 HE2 PHE 99 3.934 -2.279 8.147 765 HZ PHE 99 HZ PHE 99 4.869 -4.521 8.540 766 H ASP 100 H ASP 100 -1.812 -2.031 6.795 767 HA ASP 100 HA ASP 100 -2.826 -1.535 9.274 768 1HB ASP 100 1HB ASP 100 -0.161 -2.146 9.692 769 2HB ASP 100 2HB ASP 100 -0.151 -0.389 9.646 770 H TYR 101 H TYR 101 -1.747 0.933 9.985 771 HA TYR 101 HA TYR 101 -2.045 2.555 7.556 772 1HB TYR 101 1HB TYR 101 -3.726 2.532 9.979 773 2HB TYR 101 2HB TYR 101 -3.218 4.133 9.450 774 HD1 TYR 101 HD1 TYR 101 -4.967 1.049 8.348 775 HD2 TYR 101 HD2 TYR 101 -4.242 5.184 7.626 776 HE1 TYR 101 HE1 TYR 101 -6.775 1.078 6.674 777 HE2 TYR 101 HE2 TYR 101 -6.036 5.224 5.949 778 HH TYR 101 HH TYR 101 -7.164 3.340 4.409 779 H LEU 102 H LEU 102 -1.074 4.634 7.666 780 HA LEU 102 HA LEU 102 0.695 5.145 9.935 781 1HB LEU 102 1HB LEU 102 2.375 4.207 8.748 782 2HB LEU 102 2HB LEU 102 1.514 4.333 7.233 783 HG LEU 102 HG LEU 102 2.397 6.954 8.046 784 1HD1 LEU 102 1HD1 LEU 102 4.156 4.968 8.925 785 2HD1 LEU 102 2HD1 LEU 102 4.471 6.695 8.769 786 3HD1 LEU 102 3HD1 LEU 102 4.854 5.608 7.436 787 1HD2 LEU 102 1HD2 LEU 102 2.246 5.303 5.719 788 2HD2 LEU 102 2HD2 LEU 102 3.844 6.026 5.839 789 3HD2 LEU 102 3HD2 LEU 102 2.419 7.054 5.834 790 HA PRO 103 HA PRO 103 -0.639 9.312 9.354 791 1HB PRO 103 1HB PRO 103 1.611 10.672 10.145 792 2HB PRO 103 2HB PRO 103 0.462 9.937 11.263 793 1HG PRO 103 1HG PRO 103 3.095 8.903 10.300 794 2HG PRO 103 2HG PRO 103 2.388 8.835 11.924 795 1HD PRO 103 1HD PRO 103 2.386 6.708 10.265 796 2HD PRO 103 2HD PRO 103 1.064 7.016 11.408 797 H LYS 104 H LYS 104 -0.240 11.249 8.059 798 HA LYS 104 HA LYS 104 0.270 10.963 5.468 799 1HB LYS 104 1HB LYS 104 -0.416 13.097 6.556 800 2HB LYS 104 2HB LYS 104 1.273 13.389 6.950 801 1HG LYS 104 1HG LYS 104 0.469 14.581 4.919 802 2HG LYS 104 2HG LYS 104 1.867 13.543 4.645 803 1HD LYS 104 1HD LYS 104 -0.741 12.241 4.233 804 2HD LYS 104 2HD LYS 104 -0.382 13.554 3.109 805 1HE LYS 104 1HE LYS 104 1.933 12.343 2.900 806 2HE LYS 104 2HE LYS 104 1.035 10.955 3.512 807 1HZ LYS 104 1HZ LYS 104 0.563 12.466 1.011 808 2HZ LYS 104 2HZ LYS 104 -0.591 11.421 1.665 809 3HZ LYS 104 3HZ LYS 104 0.913 10.814 1.183 810 HA PRO 105 HA PRO 105 5.112 11.936 5.996 811 1HB PRO 105 1HB PRO 105 5.907 10.422 8.254 812 2HB PRO 105 2HB PRO 105 5.932 12.181 8.103 813 1HG PRO 105 1HG PRO 105 3.901 10.421 9.379 814 2HG PRO 105 2HG PRO 105 4.410 12.059 9.825 815 1HD PRO 105 1HD PRO 105 2.075 11.631 8.619 816 2HD PRO 105 2HD PRO 105 3.057 13.049 8.211 817 H PHE 106 H PHE 106 6.747 10.276 5.438 818 HA PHE 106 HA PHE 106 6.328 7.544 5.641 819 1HB PHE 106 1HB PHE 106 4.444 8.620 3.934 820 2HB PHE 106 2HB PHE 106 5.685 8.059 2.828 821 HD1 PHE 106 HD1 PHE 106 3.120 6.918 2.558 822 HD2 PHE 106 HD2 PHE 106 6.185 5.830 5.301 823 HE1 PHE 106 HE1 PHE 106 2.184 4.650 2.700 824 HE2 PHE 106 HE2 PHE 106 5.246 3.561 5.448 825 HZ PHE 106 HZ PHE 106 3.248 2.974 4.151 826 H ASP 107 H ASP 107 7.014 9.254 2.605 827 HA ASP 107 HA ASP 107 8.838 9.069 1.238 828 1HB ASP 107 1HB ASP 107 10.896 9.996 2.226 829 2HB ASP 107 2HB ASP 107 9.482 10.940 2.678 830 H ILE 108 H ILE 108 11.448 8.242 1.631 831 HA ILE 108 HA ILE 108 11.074 5.451 1.613 832 HB ILE 108 HB ILE 108 13.382 7.243 1.280 833 1HG1 ILE 108 1HG1 ILE 108 13.472 6.300 -0.859 834 2HG1 ILE 108 2HG1 ILE 108 12.659 4.830 -0.332 835 1HG2 ILE 108 1HG2 ILE 108 15.067 5.668 1.464 836 2HG2 ILE 108 2HG2 ILE 108 13.946 4.315 1.371 837 3HG2 ILE 108 3HG2 ILE 108 14.051 5.271 2.846 838 1HD1 ILE 108 1HD1 ILE 108 11.382 6.543 -1.769 839 2HD1 ILE 108 2HD1 ILE 108 11.217 7.440 -0.271 840 3HD1 ILE 108 3HD1 ILE 108 10.571 5.804 -0.399 841 H ASP 109 H ASP 109 12.606 7.580 3.912 842 HA ASP 109 HA ASP 109 13.567 5.718 5.686 843 1HB ASP 109 1HB ASP 109 12.414 8.460 6.220 844 2HB ASP 109 2HB ASP 109 13.244 7.504 7.445 845 H GLU 110 H GLU 110 10.381 7.328 5.953 846 HA GLU 110 HA GLU 110 9.556 5.549 8.000 847 1HB GLU 110 1HB GLU 110 7.878 7.515 6.466 848 2HB GLU 110 2HB GLU 110 7.438 6.737 7.971 849 1HG GLU 110 1HG GLU 110 9.937 8.329 7.907 850 2HG GLU 110 2HG GLU 110 8.396 9.193 7.860 851 H ALA 111 H ALA 111 9.014 5.618 4.515 852 HA ALA 111 HA ALA 111 6.954 3.623 4.763 853 1HB ALA 111 1HB ALA 111 8.153 4.966 2.379 854 2HB ALA 111 2HB ALA 111 6.504 5.067 3.004 855 3HB ALA 111 3HB ALA 111 7.068 3.588 2.223 856 H VAL 112 H VAL 112 10.274 3.665 3.437 857 HA VAL 112 HA VAL 112 10.337 0.931 2.809 858 HB VAL 112 HB VAL 112 12.685 2.586 3.727 859 1HG1 VAL 112 1HG1 VAL 112 12.481 -0.140 3.182 860 2HG1 VAL 112 2HG1 VAL 112 13.966 0.809 3.298 861 3HG1 VAL 112 3HG1 VAL 112 13.199 0.559 1.730 862 1HG2 VAL 112 1HG2 VAL 112 12.897 2.484 1.033 863 2HG2 VAL 112 2HG2 VAL 112 12.157 3.817 1.918 864 3HG2 VAL 112 3HG2 VAL 112 11.144 2.555 1.220 865 H ALA 113 H ALA 113 10.740 2.671 5.769 866 HA ALA 113 HA ALA 113 11.898 0.700 7.392 867 1HB ALA 113 1HB ALA 113 10.764 3.268 7.719 868 2HB ALA 113 2HB ALA 113 11.717 2.350 8.886 869 3HB ALA 113 3HB ALA 113 9.958 2.201 8.862 870 H LEU 114 H LEU 114 8.528 1.575 6.850 871 HA LEU 114 HA LEU 114 7.485 -0.591 8.349 872 1HB LEU 114 1HB LEU 114 6.318 1.533 8.172 873 2HB LEU 114 2HB LEU 114 6.141 1.305 6.443 874 HG LEU 114 HG LEU 114 4.897 -0.905 7.226 875 1HD1 LEU 114 1HD1 LEU 114 3.476 0.148 9.265 876 2HD1 LEU 114 2HD1 LEU 114 5.089 0.760 9.640 877 3HD1 LEU 114 3HD1 LEU 114 4.822 -0.974 9.472 878 1HD2 LEU 114 1HD2 LEU 114 2.886 0.168 6.791 879 2HD2 LEU 114 2HD2 LEU 114 4.073 1.144 5.928 880 3HD2 LEU 114 3HD2 LEU 114 3.432 1.695 7.476 881 H VAL 115 H VAL 115 8.448 -0.265 5.047 882 HA VAL 115 HA VAL 115 6.741 -2.385 4.131 883 HB VAL 115 HB VAL 115 7.606 -0.501 2.653 884 1HG1 VAL 115 1HG1 VAL 115 9.988 -2.285 2.258 885 2HG1 VAL 115 2HG1 VAL 115 10.016 -0.919 3.369 886 3HG1 VAL 115 3HG1 VAL 115 9.720 -0.650 1.656 887 1HG2 VAL 115 1HG2 VAL 115 6.468 -1.983 1.382 888 2HG2 VAL 115 2HG2 VAL 115 7.347 -3.371 2.026 889 3HG2 VAL 115 3HG2 VAL 115 8.080 -2.366 0.777 890 H GLU 116 H GLU 116 10.228 -2.106 4.780 891 HA GLU 116 HA GLU 116 10.838 -4.782 4.126 892 1HB GLU 116 1HB GLU 116 12.243 -2.709 5.795 893 2HB GLU 116 2HB GLU 116 12.899 -4.328 5.587 894 1HG GLU 116 1HG GLU 116 12.922 -3.990 3.155 895 2HG GLU 116 2HG GLU 116 12.302 -2.357 3.392 896 H ARG 117 H ARG 117 9.938 -3.215 7.167 897 HA ARG 117 HA ARG 117 10.365 -5.443 8.828 898 1HB ARG 117 1HB ARG 117 8.994 -4.312 10.465 899 2HB ARG 117 2HB ARG 117 10.027 -3.134 9.670 900 1HG ARG 117 1HG ARG 117 8.203 -2.340 8.341 901 2HG ARG 117 2HG ARG 117 7.150 -3.625 8.935 902 1HD ARG 117 1HD ARG 117 8.431 -1.789 10.904 903 2HD ARG 117 2HD ARG 117 7.064 -1.198 9.965 904 HE ARG 117 HE ARG 117 5.672 -2.727 11.041 905 1HH1 ARG 117 1HH1 ARG 117 8.983 -3.091 12.104 906 2HH1 ARG 117 2HH1 ARG 117 8.556 -4.002 13.512 907 1HH2 ARG 117 1HH2 ARG 117 5.120 -3.922 12.890 908 2HH2 ARG 117 2HH2 ARG 117 6.367 -4.473 13.958 909 H ALA 118 H ALA 118 7.865 -4.656 6.595 910 HA ALA 118 HA ALA 118 5.845 -6.356 7.631 911 1HB ALA 118 1HB ALA 118 4.665 -5.952 5.602 912 2HB ALA 118 2HB ALA 118 6.141 -5.450 4.777 913 3HB ALA 118 3HB ALA 118 5.462 -4.447 6.059 914 H ILE 119 H ILE 119 8.177 -6.720 4.964 915 HA ILE 119 HA ILE 119 7.426 -9.354 4.301 916 HB ILE 119 HB ILE 119 10.113 -8.069 3.853 917 1HG1 ILE 119 1HG1 ILE 119 8.096 -8.095 1.687 918 2HG1 ILE 119 2HG1 ILE 119 7.786 -6.978 3.015 919 1HG2 ILE 119 1HG2 ILE 119 8.699 -10.369 2.528 920 2HG2 ILE 119 2HG2 ILE 119 10.239 -10.389 3.390 921 3HG2 ILE 119 3HG2 ILE 119 10.108 -9.562 1.836 922 1HD1 ILE 119 1HD1 ILE 119 9.833 -5.850 2.649 923 2HD1 ILE 119 2HD1 ILE 119 9.045 -6.024 1.080 924 3HD1 ILE 119 3HD1 ILE 119 10.386 -7.085 1.518 925 H SER 120 H SER 120 9.640 -8.008 6.608 926 HA SER 120 HA SER 120 11.060 -10.390 7.196 927 1HB SER 120 1HB SER 120 11.541 -7.830 7.780 928 2HB SER 120 2HB SER 120 10.755 -8.291 9.289 929 HG SER 120 HG SER 120 13.225 -8.981 8.308 930 H HIS 121 H HIS 121 8.090 -8.968 8.353 931 HA HIS 121 HA HIS 121 7.797 -10.601 10.657 932 1HB HIS 121 1HB HIS 121 5.997 -8.815 9.075 933 2HB HIS 121 2HB HIS 121 5.282 -9.918 10.247 934 HD1 HIS 121 HD1 HIS 121 8.585 -8.451 11.085 935 HD2 HIS 121 HD2 HIS 121 4.572 -7.669 11.835 936 HE1 HIS 121 HE1 HIS 121 8.565 -6.775 12.957 937 HE2 HIS 121 HE2 HIS 121 6.126 -6.362 13.437 938 H TYR 122 H TYR 122 7.186 -11.074 7.299 939 HA TYR 122 HA TYR 122 5.277 -13.146 7.483 940 1HB TYR 122 1HB TYR 122 7.085 -12.085 5.375 941 2HB TYR 122 2HB TYR 122 6.468 -13.717 5.145 942 HD1 TYR 122 HD1 TYR 122 3.756 -13.686 5.995 943 HD2 TYR 122 HD2 TYR 122 5.937 -10.585 4.064 944 HE1 TYR 122 HE1 TYR 122 1.654 -12.764 5.107 945 HE2 TYR 122 HE2 TYR 122 3.843 -9.654 3.176 946 HH TYR 122 HH TYR 122 1.074 -10.020 4.226 947 H GLN 123 H GLN 123 8.812 -13.191 7.183 948 HA GLN 123 HA GLN 123 8.941 -16.037 7.335 949 1HB GLN 123 1HB GLN 123 11.425 -15.624 7.530 950 2HB GLN 123 2HB GLN 123 10.659 -15.041 6.062 951 1HG GLN 123 1HG GLN 123 10.526 -12.780 7.216 952 2HG GLN 123 2HG GLN 123 11.622 -13.456 8.418 953 1HE2 GLN 123 1HE2 GLN 123 11.292 -13.201 4.896 954 2HE2 GLN 123 2HE2 GLN 123 12.960 -12.870 4.593 955 H GLU 124 H GLU 124 10.022 -13.448 9.458 956 HA GLU 124 HA GLU 124 10.489 -13.376 11.690 957 1HB GLU 124 1HB GLU 124 7.959 -13.852 11.573 958 2HB GLU 124 2HB GLU 124 8.381 -15.492 12.044 959 1HG GLU 124 1HG GLU 124 7.892 -14.506 14.064 960 2HG GLU 124 2HG GLU 124 9.647 -14.355 13.989 Start of MODEL 12 1 1H MET 1 1H MET 1 6.744 -18.769 -3.300 2 2H MET 1 2H MET 1 7.821 -19.595 -2.249 3 3H MET 1 3H MET 1 8.149 -19.522 -3.931 4 HA MET 1 HA MET 1 8.244 -17.366 -1.941 5 1HB MET 1 1HB MET 1 10.550 -17.187 -2.739 6 2HB MET 1 2HB MET 1 10.212 -18.818 -2.174 7 1HG MET 1 1HG MET 1 10.933 -19.610 -4.102 8 2HG MET 1 2HG MET 1 9.610 -18.783 -4.920 9 1HE MET 1 1HE MET 1 12.338 -19.199 -6.714 10 2HE MET 1 2HE MET 1 12.077 -17.619 -7.452 11 3HE MET 1 3HE MET 1 10.699 -18.629 -7.021 12 H GLN 2 H GLN 2 7.776 -15.365 -2.576 13 HA GLN 2 HA GLN 2 7.060 -14.888 -5.352 14 1HB GLN 2 1HB GLN 2 6.792 -13.260 -2.826 15 2HB GLN 2 2HB GLN 2 6.429 -12.592 -4.412 16 1HG GLN 2 1HG GLN 2 4.351 -13.280 -3.893 17 2HG GLN 2 2HG GLN 2 4.944 -14.812 -4.531 18 1HE2 GLN 2 1HE2 GLN 2 3.847 -16.238 -3.329 19 2HE2 GLN 2 2HE2 GLN 2 3.916 -16.338 -1.605 20 H ARG 3 H ARG 3 7.926 -13.058 -6.552 21 HA ARG 3 HA ARG 3 10.759 -12.883 -6.271 22 1HB ARG 3 1HB ARG 3 10.681 -11.480 -8.280 23 2HB ARG 3 2HB ARG 3 9.766 -12.965 -8.482 24 1HG ARG 3 1HG ARG 3 7.977 -11.802 -9.055 25 2HG ARG 3 2HG ARG 3 8.001 -10.967 -7.502 26 1HD ARG 3 1HD ARG 3 8.277 -9.141 -8.798 27 2HD ARG 3 2HD ARG 3 9.966 -9.639 -8.775 28 HE ARG 3 HE ARG 3 8.073 -9.961 -10.987 29 1HH1 ARG 3 1HH1 ARG 3 11.323 -10.346 -9.752 30 2HH1 ARG 3 2HH1 ARG 3 12.018 -10.586 -11.317 31 1HH2 ARG 3 1HH2 ARG 3 8.993 -10.262 -13.040 32 2HH2 ARG 3 2HH2 ARG 3 10.699 -10.536 -13.185 33 H GLY 4 H GLY 4 8.478 -11.363 -4.527 34 1HA GLY 4 1HA GLY 4 8.637 -9.577 -3.081 35 2HA GLY 4 2HA GLY 4 10.278 -9.319 -3.661 36 H ILE 5 H ILE 5 6.878 -8.697 -4.330 37 HA ILE 5 HA ILE 5 7.701 -6.449 -6.052 38 HB ILE 5 HB ILE 5 4.946 -7.624 -6.066 39 1HG1 ILE 5 1HG1 ILE 5 6.155 -8.678 -8.299 40 2HG1 ILE 5 2HG1 ILE 5 7.416 -8.838 -7.079 41 1HG2 ILE 5 1HG2 ILE 5 5.488 -6.815 -8.582 42 2HG2 ILE 5 2HG2 ILE 5 6.500 -5.703 -7.659 43 3HG2 ILE 5 3HG2 ILE 5 4.764 -5.782 -7.351 44 1HD1 ILE 5 1HD1 ILE 5 4.790 -9.676 -6.143 45 2HD1 ILE 5 2HD1 ILE 5 6.351 -10.491 -6.038 46 3HD1 ILE 5 3HD1 ILE 5 5.390 -10.611 -7.511 47 H VAL 6 H VAL 6 7.412 -4.501 -5.204 48 HA VAL 6 HA VAL 6 5.343 -4.155 -3.129 49 HB VAL 6 HB VAL 6 7.575 -3.767 -2.224 50 1HG1 VAL 6 1HG1 VAL 6 8.241 -1.383 -3.703 51 2HG1 VAL 6 2HG1 VAL 6 8.141 -2.786 -4.759 52 3HG1 VAL 6 3HG1 VAL 6 9.220 -2.807 -3.366 53 1HG2 VAL 6 1HG2 VAL 6 6.773 -0.962 -2.429 54 2HG2 VAL 6 2HG2 VAL 6 6.908 -2.003 -1.013 55 3HG2 VAL 6 3HG2 VAL 6 5.453 -2.052 -2.008 56 H TRP 7 H TRP 7 3.641 -2.955 -3.758 57 HA TRP 7 HA TRP 7 4.066 -1.056 -5.964 58 1HB TRP 7 1HB TRP 7 1.681 -2.721 -5.203 59 2HB TRP 7 2HB TRP 7 1.515 -1.305 -6.238 60 HD1 TRP 7 HD1 TRP 7 4.751 -2.862 -6.986 61 HE1 TRP 7 HE1 TRP 7 4.624 -4.296 -9.109 62 HE3 TRP 7 HE3 TRP 7 -0.330 -3.135 -7.474 63 HZ2 TRP 7 HZ2 TRP 7 2.637 -5.414 -10.769 64 HZ3 TRP 7 HZ3 TRP 7 -1.262 -4.412 -9.359 65 HH2 TRP 7 HH2 TRP 7 0.193 -5.528 -10.972 66 H VAL 8 H VAL 8 3.532 1.034 -5.746 67 HA VAL 8 HA VAL 8 2.433 1.896 -3.142 68 HB VAL 8 HB VAL 8 4.180 3.747 -4.675 69 1HG1 VAL 8 1HG1 VAL 8 5.032 3.914 -2.162 70 2HG1 VAL 8 2HG1 VAL 8 3.430 3.251 -1.860 71 3HG1 VAL 8 3HG1 VAL 8 3.601 4.764 -2.742 72 1HG2 VAL 8 1HG2 VAL 8 5.108 1.140 -3.663 73 2HG2 VAL 8 2HG2 VAL 8 6.089 2.536 -3.216 74 3HG2 VAL 8 3HG2 VAL 8 5.779 2.185 -4.920 75 H VAL 9 H VAL 9 0.829 3.428 -3.142 76 HA VAL 9 HA VAL 9 0.129 4.601 -5.749 77 HB VAL 9 HB VAL 9 -2.179 4.485 -3.983 78 1HG1 VAL 9 1HG1 VAL 9 -3.097 3.342 -6.101 79 2HG1 VAL 9 2HG1 VAL 9 -1.509 3.656 -6.778 80 3HG1 VAL 9 3HG1 VAL 9 -2.507 4.998 -6.250 81 1HG2 VAL 9 1HG2 VAL 9 -0.777 1.911 -4.629 82 2HG2 VAL 9 2HG2 VAL 9 -2.531 1.980 -4.469 83 3HG2 VAL 9 3HG2 VAL 9 -1.510 2.422 -3.115 84 H ASP 10 H ASP 10 0.481 6.669 -5.762 85 HA ASP 10 HA ASP 10 -0.547 8.484 -3.848 86 1HB ASP 10 1HB ASP 10 1.535 7.479 -2.715 87 2HB ASP 10 2HB ASP 10 2.464 8.410 -3.888 88 H ASP 11 H ASP 11 1.449 10.531 -4.422 89 HA ASP 11 HA ASP 11 0.341 11.526 -6.803 90 1HB ASP 11 1HB ASP 11 2.555 12.388 -4.995 91 2HB ASP 11 2HB ASP 11 2.362 13.183 -6.554 92 H ASP 12 H ASP 12 2.640 9.137 -6.555 93 HA ASP 12 HA ASP 12 4.013 8.143 -8.081 94 1HB ASP 12 1HB ASP 12 1.963 9.320 -9.577 95 2HB ASP 12 2HB ASP 12 3.442 9.796 -10.404 96 H SER 13 H SER 13 5.269 9.448 -10.395 97 HA SER 13 HA SER 13 7.396 10.233 -10.706 98 1HB SER 13 1HB SER 13 5.615 12.015 -11.116 99 2HB SER 13 2HB SER 13 6.215 12.775 -9.648 100 HG SER 13 HG SER 13 7.172 13.200 -11.951 101 H SER 14 H SER 14 6.847 12.517 -8.114 102 HA SER 14 HA SER 14 9.383 12.313 -7.032 103 1HB SER 14 1HB SER 14 6.772 13.268 -5.879 104 2HB SER 14 2HB SER 14 8.254 13.293 -4.925 105 HG SER 14 HG SER 14 9.096 14.425 -6.952 106 H ILE 15 H ILE 15 6.399 10.924 -5.632 107 HA ILE 15 HA ILE 15 7.729 9.437 -3.654 108 HB ILE 15 HB ILE 15 5.068 8.730 -4.884 109 1HG1 ILE 15 1HG1 ILE 15 5.132 11.114 -4.209 110 2HG1 ILE 15 2HG1 ILE 15 4.032 10.168 -3.215 111 1HG2 ILE 15 1HG2 ILE 15 5.882 8.336 -2.029 112 2HG2 ILE 15 2HG2 ILE 15 6.306 7.154 -3.268 113 3HG2 ILE 15 3HG2 ILE 15 4.612 7.526 -2.947 114 1HD1 ILE 15 1HD1 ILE 15 6.843 10.783 -2.374 115 2HD1 ILE 15 2HD1 ILE 15 5.507 10.190 -1.386 116 3HD1 ILE 15 3HD1 ILE 15 5.478 11.839 -2.012 117 H ARG 16 H ARG 16 6.998 8.791 -6.982 118 HA ARG 16 HA ARG 16 7.464 5.983 -6.907 119 1HB ARG 16 1HB ARG 16 6.121 7.064 -8.663 120 2HB ARG 16 2HB ARG 16 7.554 7.894 -9.247 121 1HG ARG 16 1HG ARG 16 8.560 5.602 -9.632 122 2HG ARG 16 2HG ARG 16 6.946 4.954 -9.353 123 1HD ARG 16 1HD ARG 16 6.079 5.930 -11.265 124 2HD ARG 16 2HD ARG 16 7.344 7.151 -11.334 125 HE ARG 16 HE ARG 16 8.816 5.544 -12.256 126 1HH1 ARG 16 1HH1 ARG 16 5.568 4.309 -11.830 127 2HH1 ARG 16 2HH1 ARG 16 5.792 3.006 -12.943 128 1HH2 ARG 16 1HH2 ARG 16 9.098 3.826 -13.710 129 2HH2 ARG 16 2HH2 ARG 16 7.790 2.731 -14.010 130 H TRP 17 H TRP 17 9.472 8.737 -7.945 131 HA TRP 17 HA TRP 17 11.673 7.242 -8.790 132 1HB TRP 17 1HB TRP 17 11.308 9.676 -9.244 133 2HB TRP 17 2HB TRP 17 11.791 10.004 -7.581 134 HD1 TRP 17 HD1 TRP 17 13.253 8.540 -10.842 135 HE1 TRP 17 HE1 TRP 17 15.805 8.873 -10.799 136 HE3 TRP 17 HE3 TRP 17 13.743 10.470 -6.133 137 HZ2 TRP 17 HZ2 TRP 17 17.765 9.830 -9.010 138 HZ3 TRP 17 HZ3 TRP 17 15.991 11.069 -5.332 139 HH2 TRP 17 HH2 TRP 17 17.960 10.754 -6.742 140 H VAL 18 H VAL 18 10.908 8.530 -5.584 141 HA VAL 18 HA VAL 18 13.399 7.735 -4.476 142 HB VAL 18 HB VAL 18 11.024 8.112 -2.720 143 1HG1 VAL 18 1HG1 VAL 18 13.414 7.628 -1.969 144 2HG1 VAL 18 2HG1 VAL 18 12.575 8.972 -1.195 145 3HG1 VAL 18 3HG1 VAL 18 13.772 9.285 -2.451 146 1HG2 VAL 18 1HG2 VAL 18 12.081 10.673 -3.086 147 2HG2 VAL 18 2HG2 VAL 18 10.490 10.096 -3.580 148 3HG2 VAL 18 3HG2 VAL 18 11.841 10.036 -4.713 149 H LEU 19 H LEU 19 10.167 6.378 -4.449 150 HA LEU 19 HA LEU 19 10.909 4.181 -2.799 151 1HB LEU 19 1HB LEU 19 8.437 5.009 -4.224 152 2HB LEU 19 2HB LEU 19 8.578 3.339 -3.729 153 HG LEU 19 HG LEU 19 7.366 4.520 -2.045 154 1HD1 LEU 19 1HD1 LEU 19 8.456 3.060 -0.750 155 2HD1 LEU 19 2HD1 LEU 19 9.393 4.454 -0.216 156 3HD1 LEU 19 3HD1 LEU 19 10.015 3.409 -1.491 157 1HD2 LEU 19 1HD2 LEU 19 9.043 6.318 -0.841 158 2HD2 LEU 19 2HD2 LEU 19 7.724 6.723 -1.936 159 3HD2 LEU 19 3HD2 LEU 19 9.369 6.584 -2.552 160 H GLU 20 H GLU 20 10.833 4.733 -6.217 161 HA GLU 20 HA GLU 20 10.801 2.017 -6.982 162 1HB GLU 20 1HB GLU 20 11.381 2.723 -9.182 163 2HB GLU 20 2HB GLU 20 10.226 3.861 -8.525 164 1HG GLU 20 1HG GLU 20 12.073 5.412 -8.059 165 2HG GLU 20 2HG GLU 20 13.186 4.269 -8.805 166 H ARG 21 H ARG 21 13.521 4.300 -6.982 167 HA ARG 21 HA ARG 21 15.450 2.294 -7.444 168 1HB ARG 21 1HB ARG 21 15.715 5.129 -6.473 169 2HB ARG 21 2HB ARG 21 17.098 4.094 -6.795 170 1HG ARG 21 1HG ARG 21 15.174 4.213 -8.993 171 2HG ARG 21 2HG ARG 21 15.915 5.765 -8.598 172 1HD ARG 21 1HD ARG 21 17.966 5.115 -9.294 173 2HD ARG 21 2HD ARG 21 17.750 3.457 -8.736 174 HE ARG 21 HE ARG 21 17.348 4.417 -11.367 175 1HH1 ARG 21 1HH1 ARG 21 16.038 2.171 -9.049 176 2HH1 ARG 21 2HH1 ARG 21 15.356 1.129 -10.250 177 1HH2 ARG 21 1HH2 ARG 21 16.469 3.041 -12.955 178 2HH2 ARG 21 2HH2 ARG 21 15.607 1.619 -12.470 179 H ALA 22 H ALA 22 14.818 4.145 -4.435 180 HA ALA 22 HA ALA 22 16.663 2.868 -2.841 181 1HB ALA 22 1HB ALA 22 14.758 4.768 -2.411 182 2HB ALA 22 2HB ALA 22 15.799 4.072 -1.169 183 3HB ALA 22 3HB ALA 22 14.177 3.427 -1.424 184 H LEU 23 H LEU 23 13.285 1.926 -3.266 185 HA LEU 23 HA LEU 23 13.522 -0.383 -1.643 186 1HB LEU 23 1HB LEU 23 11.382 0.880 -2.412 187 2HB LEU 23 2HB LEU 23 11.483 -0.144 -3.830 188 HG LEU 23 HG LEU 23 10.915 -2.050 -2.677 189 1HD1 LEU 23 1HD1 LEU 23 11.068 -2.212 -0.158 190 2HD1 LEU 23 2HD1 LEU 23 12.011 -0.720 -0.217 191 3HD1 LEU 23 3HD1 LEU 23 12.599 -2.171 -1.032 192 1HD2 LEU 23 1HD2 LEU 23 8.954 -1.630 -1.522 193 2HD2 LEU 23 2HD2 LEU 23 9.158 -0.188 -2.517 194 3HD2 LEU 23 3HD2 LEU 23 9.579 -0.141 -0.807 195 H ALA 24 H ALA 24 14.360 0.302 -4.903 196 HA ALA 24 HA ALA 24 14.355 -2.359 -5.891 197 1HB ALA 24 1HB ALA 24 14.742 -1.265 -7.795 198 2HB ALA 24 2HB ALA 24 16.362 -0.865 -7.223 199 3HB ALA 24 3HB ALA 24 15.020 0.229 -6.900 200 H GLY 25 H GLY 25 16.652 -0.314 -4.191 201 1HA GLY 25 1HA GLY 25 18.921 -1.973 -4.435 202 2HA GLY 25 2HA GLY 25 18.644 -0.798 -3.155 203 H ALA 26 H ALA 26 16.065 -2.195 -2.497 204 HA ALA 26 HA ALA 26 17.159 -4.006 -0.571 205 1HB ALA 26 1HB ALA 26 14.510 -2.804 -1.109 206 2HB ALA 26 2HB ALA 26 15.410 -2.931 0.401 207 3HB ALA 26 3HB ALA 26 14.538 -4.329 -0.226 208 H GLY 27 H GLY 27 16.008 -4.275 -3.764 209 1HA GLY 27 1HA GLY 27 16.297 -6.267 -5.012 210 2HA GLY 27 2HA GLY 27 16.114 -7.192 -3.533 211 H LEU 28 H LEU 28 13.806 -4.655 -4.334 212 HA LEU 28 HA LEU 28 11.918 -6.750 -5.112 213 1HB LEU 28 1HB LEU 28 10.783 -4.402 -3.748 214 2HB LEU 28 2HB LEU 28 10.314 -6.089 -3.662 215 HG LEU 28 HG LEU 28 12.620 -6.230 -2.317 216 1HD1 LEU 28 1HD1 LEU 28 11.907 -3.412 -2.385 217 2HD1 LEU 28 2HD1 LEU 28 13.465 -4.191 -2.132 218 3HD1 LEU 28 3HD1 LEU 28 12.313 -4.065 -0.798 219 1HD2 LEU 28 1HD2 LEU 28 11.295 -6.732 -0.577 220 2HD2 LEU 28 2HD2 LEU 28 9.978 -6.472 -1.721 221 3HD2 LEU 28 3HD2 LEU 28 10.474 -5.173 -0.637 222 H THR 29 H THR 29 9.882 -5.786 -6.113 223 HA THR 29 HA THR 29 10.728 -3.824 -8.122 224 HB THR 29 HB THR 29 8.524 -5.891 -8.107 225 HG1 THR 29 HG1 THR 29 10.745 -6.479 -8.632 226 1HG2 THR 29 1HG2 THR 29 7.396 -4.483 -9.439 227 2HG2 THR 29 2HG2 THR 29 8.550 -5.036 -10.653 228 3HG2 THR 29 3HG2 THR 29 8.821 -3.513 -9.806 229 H CYS 30 H CYS 30 10.262 -1.823 -7.471 230 HA CYS 30 HA CYS 30 7.724 -1.309 -6.100 231 1HB CYS 30 1HB CYS 30 10.024 -0.565 -5.201 232 2HB CYS 30 2HB CYS 30 9.916 0.695 -6.423 233 HG CYS 30 HG CYS 30 7.512 0.569 -4.544 234 H THR 31 H THR 31 6.095 -0.695 -7.297 235 HA THR 31 HA THR 31 6.593 1.157 -9.528 236 HB THR 31 HB THR 31 5.879 -1.264 -10.141 237 HG1 THR 31 HG1 THR 31 4.592 1.085 -11.031 238 1HG2 THR 31 1HG2 THR 31 3.086 -0.408 -9.825 239 2HG2 THR 31 2HG2 THR 31 3.901 -0.953 -8.362 240 3HG2 THR 31 3HG2 THR 31 3.802 -2.016 -9.764 241 H THR 32 H THR 32 4.956 2.780 -9.824 242 HA THR 32 HA THR 32 3.216 3.062 -7.478 243 HB THR 32 HB THR 32 3.579 5.470 -7.560 244 HG1 THR 32 HG1 THR 32 4.180 5.273 -9.950 245 1HG2 THR 32 1HG2 THR 32 6.355 4.479 -7.666 246 2HG2 THR 32 2HG2 THR 32 5.282 3.692 -6.506 247 3HG2 THR 32 3HG2 THR 32 5.538 5.443 -6.440 248 H PHE 33 H PHE 33 1.393 4.538 -7.735 249 HA PHE 33 HA PHE 33 0.309 4.635 -10.446 250 1HB PHE 33 1HB PHE 33 -1.280 3.626 -8.104 251 2HB PHE 33 2HB PHE 33 -1.815 3.752 -9.764 252 HD1 PHE 33 HD1 PHE 33 -1.914 1.801 -10.933 253 HD2 PHE 33 HD2 PHE 33 1.026 2.208 -7.889 254 HE1 PHE 33 HE1 PHE 33 -1.170 -0.493 -11.351 255 HE2 PHE 33 HE2 PHE 33 1.784 -0.094 -8.312 256 HZ PHE 33 HZ PHE 33 0.667 -1.456 -10.048 257 H GLU 34 H GLU 34 -1.926 5.817 -10.355 258 HA GLU 34 HA GLU 34 -1.411 8.477 -9.752 259 1HB GLU 34 1HB GLU 34 -3.835 8.821 -10.243 260 2HB GLU 34 2HB GLU 34 -2.964 7.897 -11.461 261 1HG GLU 34 1HG GLU 34 -4.699 6.495 -11.314 262 2HG GLU 34 2HG GLU 34 -3.877 5.908 -9.873 263 H ASN 35 H ASN 35 -3.803 6.375 -7.994 264 HA ASN 35 HA ASN 35 -3.244 7.923 -5.625 265 1HB ASN 35 1HB ASN 35 -5.646 8.278 -7.240 266 2HB ASN 35 2HB ASN 35 -5.977 7.998 -5.535 267 1HD2 ASN 35 1HD2 ASN 35 -5.299 10.285 -7.824 268 2HD2 ASN 35 2HD2 ASN 35 -4.801 11.576 -6.791 269 H GLY 36 H GLY 36 -5.248 5.370 -6.992 270 1HA GLY 36 1HA GLY 36 -4.515 3.481 -5.053 271 2HA GLY 36 2HA GLY 36 -6.002 4.241 -4.522 272 H ASN 37 H ASN 37 -7.362 4.555 -6.904 273 HA ASN 37 HA ASN 37 -8.431 1.979 -7.243 274 1HB ASN 37 1HB ASN 37 -9.271 4.513 -7.856 275 2HB ASN 37 2HB ASN 37 -8.956 3.836 -9.450 276 1HD2 ASN 37 1HD2 ASN 37 -10.197 2.406 -6.450 277 2HD2 ASN 37 2HD2 ASN 37 -11.668 1.814 -7.138 278 H GLU 38 H GLU 38 -5.899 3.692 -8.876 279 HA GLU 38 HA GLU 38 -5.808 2.272 -11.281 280 1HB GLU 38 1HB GLU 38 -4.249 4.207 -9.991 281 2HB GLU 38 2HB GLU 38 -3.164 2.869 -10.305 282 1HG GLU 38 1HG GLU 38 -4.753 3.359 -12.625 283 2HG GLU 38 2HG GLU 38 -4.008 4.861 -12.087 284 H VAL 39 H VAL 39 -3.946 1.662 -8.259 285 HA VAL 39 HA VAL 39 -2.645 -0.645 -9.063 286 HB VAL 39 HB VAL 39 -3.816 -0.443 -6.301 287 1HG1 VAL 39 1HG1 VAL 39 -1.020 -1.166 -6.595 288 2HG1 VAL 39 2HG1 VAL 39 -2.091 -2.241 -7.493 289 3HG1 VAL 39 3HG1 VAL 39 -2.324 -2.007 -5.760 290 1HG2 VAL 39 1HG2 VAL 39 -2.962 1.625 -6.209 291 2HG2 VAL 39 2HG2 VAL 39 -1.935 1.386 -7.617 292 3HG2 VAL 39 3HG2 VAL 39 -1.424 0.785 -6.041 293 H LEU 40 H LEU 40 -5.943 -0.294 -7.882 294 HA LEU 40 HA LEU 40 -6.577 -3.000 -7.581 295 1HB LEU 40 1HB LEU 40 -8.563 -0.972 -8.554 296 2HB LEU 40 2HB LEU 40 -8.833 -2.352 -7.508 297 HG LEU 40 HG LEU 40 -7.329 0.150 -6.729 298 1HD1 LEU 40 1HD1 LEU 40 -9.895 0.206 -7.080 299 2HD1 LEU 40 2HD1 LEU 40 -9.206 0.873 -5.601 300 3HD1 LEU 40 3HD1 LEU 40 -9.940 -0.727 -5.586 301 1HD2 LEU 40 1HD2 LEU 40 -7.056 -0.756 -4.609 302 2HD2 LEU 40 2HD2 LEU 40 -6.727 -2.128 -5.667 303 3HD2 LEU 40 3HD2 LEU 40 -8.293 -1.984 -4.869 304 H ALA 41 H ALA 41 -6.838 -0.879 -10.409 305 HA ALA 41 HA ALA 41 -8.006 -2.828 -12.101 306 1HB ALA 41 1HB ALA 41 -7.963 -0.280 -12.392 307 2HB ALA 41 2HB ALA 41 -7.790 -1.282 -13.833 308 3HB ALA 41 3HB ALA 41 -6.370 -0.531 -13.105 309 H ALA 42 H ALA 42 -4.706 -1.636 -11.783 310 HA ALA 42 HA ALA 42 -3.559 -3.350 -13.702 311 1HB ALA 42 1HB ALA 42 -1.820 -2.552 -11.461 312 2HB ALA 42 2HB ALA 42 -2.643 -1.230 -12.293 313 3HB ALA 42 3HB ALA 42 -1.612 -2.336 -13.200 314 H LEU 43 H LEU 43 -4.271 -3.721 -10.304 315 HA LEU 43 HA LEU 43 -2.708 -5.987 -9.784 316 1HB LEU 43 1HB LEU 43 -5.134 -4.773 -8.542 317 2HB LEU 43 2HB LEU 43 -4.634 -6.379 -8.040 318 HG LEU 43 HG LEU 43 -2.737 -4.050 -7.990 319 1HD1 LEU 43 1HD1 LEU 43 -4.807 -3.633 -6.601 320 2HD1 LEU 43 2HD1 LEU 43 -3.276 -3.633 -5.726 321 3HD1 LEU 43 3HD1 LEU 43 -4.335 -5.038 -5.647 322 1HD2 LEU 43 1HD2 LEU 43 -1.829 -5.595 -6.137 323 2HD2 LEU 43 2HD2 LEU 43 -1.538 -6.014 -7.826 324 3HD2 LEU 43 3HD2 LEU 43 -2.811 -6.832 -6.920 325 H ALA 44 H ALA 44 -5.653 -5.590 -11.503 326 HA ALA 44 HA ALA 44 -6.835 -8.086 -11.275 327 1HB ALA 44 1HB ALA 44 -6.843 -6.704 -13.913 328 2HB ALA 44 2HB ALA 44 -7.562 -5.896 -12.521 329 3HB ALA 44 3HB ALA 44 -8.167 -7.470 -13.038 330 H SER 45 H SER 45 -3.898 -7.232 -12.855 331 HA SER 45 HA SER 45 -3.821 -9.844 -14.161 332 1HB SER 45 1HB SER 45 -2.684 -7.197 -14.986 333 2HB SER 45 2HB SER 45 -1.968 -8.696 -15.580 334 HG SER 45 HG SER 45 -4.069 -7.457 -16.533 335 H LYS 46 H LYS 46 -2.582 -8.141 -11.584 336 HA LYS 46 HA LYS 46 -0.569 -10.121 -11.121 337 1HB LYS 46 1HB LYS 46 0.298 -7.928 -12.515 338 2HB LYS 46 2HB LYS 46 0.628 -7.454 -10.853 339 1HG LYS 46 1HG LYS 46 1.538 -10.089 -11.071 340 2HG LYS 46 2HG LYS 46 2.054 -9.279 -12.553 341 1HD LYS 46 1HD LYS 46 2.587 -7.429 -10.559 342 2HD LYS 46 2HD LYS 46 3.024 -8.976 -9.830 343 1HE LYS 46 1HE LYS 46 4.995 -8.478 -10.861 344 2HE LYS 46 2HE LYS 46 4.194 -9.343 -12.171 345 1HZ LYS 46 1HZ LYS 46 3.397 -7.082 -12.924 346 2HZ LYS 46 2HZ LYS 46 5.048 -7.396 -13.123 347 3HZ LYS 46 3HZ LYS 46 4.520 -6.419 -11.846 348 H THR 47 H THR 47 0.365 -9.961 -8.966 349 HA THR 47 HA THR 47 -1.038 -8.172 -7.149 350 HB THR 47 HB THR 47 -0.885 -11.172 -6.864 351 HG1 THR 47 HG1 THR 47 -3.095 -9.401 -6.986 352 1HG2 THR 47 1HG2 THR 47 -2.150 -9.309 -4.883 353 2HG2 THR 47 2HG2 THR 47 -0.514 -9.942 -4.692 354 3HG2 THR 47 3HG2 THR 47 -1.889 -11.046 -4.742 355 HA PRO 48 HA PRO 48 3.241 -8.115 -5.754 356 1HB PRO 48 1HB PRO 48 3.166 -5.811 -4.409 357 2HB PRO 48 2HB PRO 48 3.122 -5.830 -6.177 358 1HG PRO 48 1HG PRO 48 0.887 -5.474 -4.230 359 2HG PRO 48 2HG PRO 48 1.183 -4.629 -5.760 360 1HD PRO 48 1HD PRO 48 -0.571 -6.740 -5.443 361 2HD PRO 48 2HD PRO 48 0.160 -6.256 -6.986 362 H ASP 49 H ASP 49 4.304 -8.103 -3.622 363 HA ASP 49 HA ASP 49 2.765 -9.587 -1.729 364 1HB ASP 49 1HB ASP 49 4.826 -9.709 -0.440 365 2HB ASP 49 2HB ASP 49 5.161 -10.033 -2.135 366 H VAL 50 H VAL 50 4.531 -6.513 -1.488 367 HA VAL 50 HA VAL 50 2.795 -5.720 0.734 368 HB VAL 50 HB VAL 50 5.226 -5.561 1.098 369 1HG1 VAL 50 1HG1 VAL 50 6.384 -3.639 -0.137 370 2HG1 VAL 50 2HG1 VAL 50 5.074 -3.779 -1.304 371 3HG1 VAL 50 3HG1 VAL 50 6.141 -5.149 -1.010 372 1HG2 VAL 50 1HG2 VAL 50 3.327 -3.759 1.799 373 2HG2 VAL 50 2HG2 VAL 50 4.509 -2.713 1.015 374 3HG2 VAL 50 3HG2 VAL 50 4.988 -3.727 2.375 375 H LEU 51 H LEU 51 1.982 -3.447 0.728 376 HA LEU 51 HA LEU 51 1.882 -2.134 -1.845 377 1HB LEU 51 1HB LEU 51 0.066 -3.835 -1.925 378 2HB LEU 51 2HB LEU 51 -0.681 -3.048 -0.549 379 HG LEU 51 HG LEU 51 -0.887 -0.969 -1.912 380 1HD1 LEU 51 1HD1 LEU 51 -0.165 -0.786 -4.039 381 2HD1 LEU 51 2HD1 LEU 51 -0.503 -2.480 -4.416 382 3HD1 LEU 51 3HD1 LEU 51 0.962 -2.046 -3.537 383 1HD2 LEU 51 1HD2 LEU 51 -2.303 -2.905 -3.581 384 2HD2 LEU 51 2HD2 LEU 51 -2.931 -1.619 -2.550 385 3HD2 LEU 51 3HD2 LEU 51 -2.497 -3.179 -1.850 386 H LEU 52 H LEU 52 1.052 -0.016 -1.785 387 HA LEU 52 HA LEU 52 0.561 1.142 0.867 388 1HB LEU 52 1HB LEU 52 2.735 1.770 -1.055 389 2HB LEU 52 2HB LEU 52 1.995 3.117 -0.217 390 HG LEU 52 HG LEU 52 2.895 0.850 1.461 391 1HD1 LEU 52 1HD1 LEU 52 5.158 2.450 1.232 392 2HD1 LEU 52 2HD1 LEU 52 4.651 2.164 -0.432 393 3HD1 LEU 52 3HD1 LEU 52 4.967 0.800 0.643 394 1HD2 LEU 52 1HD2 LEU 52 3.514 2.669 2.952 395 2HD2 LEU 52 2HD2 LEU 52 1.852 2.869 2.395 396 3HD2 LEU 52 3HD2 LEU 52 3.143 3.847 1.692 397 H SER 53 H SER 53 -1.325 2.289 0.770 398 HA SER 53 HA SER 53 -2.220 3.244 -1.864 399 1HB SER 53 1HB SER 53 -3.538 1.898 0.284 400 2HB SER 53 2HB SER 53 -4.312 3.464 0.040 401 HG SER 53 HG SER 53 -5.180 1.768 -1.282 402 H ASP 54 H ASP 54 -2.591 5.334 -2.312 403 HA ASP 54 HA ASP 54 -1.561 7.375 -0.709 404 1HB ASP 54 1HB ASP 54 -1.839 7.538 -3.170 405 2HB ASP 54 2HB ASP 54 -3.577 7.659 -2.931 406 H ILE 55 H ILE 55 -4.721 5.976 -0.879 407 HA ILE 55 HA ILE 55 -6.731 6.499 0.100 408 HB ILE 55 HB ILE 55 -5.804 5.458 1.980 409 1HG1 ILE 55 1HG1 ILE 55 -6.267 7.830 3.594 410 2HG1 ILE 55 2HG1 ILE 55 -7.507 7.634 2.371 411 1HG2 ILE 55 1HG2 ILE 55 -4.069 7.880 2.213 412 2HG2 ILE 55 2HG2 ILE 55 -3.600 6.189 2.054 413 3HG2 ILE 55 3HG2 ILE 55 -4.301 6.777 3.557 414 1HD1 ILE 55 1HD1 ILE 55 -7.867 5.331 3.163 415 2HD1 ILE 55 2HD1 ILE 55 -8.192 6.561 4.383 416 3HD1 ILE 55 3HD1 ILE 55 -6.700 5.633 4.444 417 H ARG 56 H ARG 56 -7.492 8.312 -1.001 418 HA ARG 56 HA ARG 56 -7.909 10.607 0.546 419 1HB ARG 56 1HB ARG 56 -5.440 10.623 -0.896 420 2HB ARG 56 2HB ARG 56 -6.498 11.860 -1.560 421 1HG ARG 56 1HG ARG 56 -5.722 11.562 1.334 422 2HG ARG 56 2HG ARG 56 -5.106 12.770 0.207 423 1HD ARG 56 1HD ARG 56 -7.712 13.243 -0.075 424 2HD ARG 56 2HD ARG 56 -7.735 12.595 1.564 425 HE ARG 56 HE ARG 56 -6.743 14.520 2.297 426 1HH1 ARG 56 1HH1 ARG 56 -6.352 14.305 -1.162 427 2HH1 ARG 56 2HH1 ARG 56 -5.698 15.901 -1.314 428 1HH2 ARG 56 1HH2 ARG 56 -5.882 16.620 2.101 429 2HH2 ARG 56 2HH2 ARG 56 -5.429 17.215 0.538 430 H MET 57 H MET 57 -9.933 10.753 0.001 431 HA MET 57 HA MET 57 -11.862 10.805 -1.203 432 1HB MET 57 1HB MET 57 -12.000 12.757 -2.632 433 2HB MET 57 2HB MET 57 -11.071 13.109 -1.184 434 1HG MET 57 1HG MET 57 -9.267 13.657 -2.353 435 2HG MET 57 2HG MET 57 -9.390 12.222 -3.367 436 1HE MET 57 1HE MET 57 -9.475 13.410 -6.390 437 2HE MET 57 2HE MET 57 -11.128 12.814 -6.255 438 3HE MET 57 3HE MET 57 -9.832 12.031 -5.351 439 HA PRO 58 HA PRO 58 -10.631 8.577 -5.127 440 1HB PRO 58 1HB PRO 58 -10.293 6.029 -4.381 441 2HB PRO 58 2HB PRO 58 -8.983 7.206 -4.247 442 1HG PRO 58 1HG PRO 58 -10.667 6.010 -2.127 443 2HG PRO 58 2HG PRO 58 -9.013 6.632 -2.042 444 1HD PRO 58 1HD PRO 58 -11.422 7.953 -1.259 445 2HD PRO 58 2HD PRO 58 -9.777 8.606 -1.259 446 H GLY 59 H GLY 59 -12.336 6.802 -2.554 447 1HA GLY 59 1HA GLY 59 -14.803 6.821 -4.112 448 2HA GLY 59 2HA GLY 59 -14.132 5.258 -3.666 449 H MET 60 H MET 60 -13.095 6.568 -1.127 450 HA MET 60 HA MET 60 -15.371 7.348 0.394 451 1HB MET 60 1HB MET 60 -15.753 4.884 0.224 452 2HB MET 60 2HB MET 60 -14.201 4.628 1.007 453 1HG MET 60 1HG MET 60 -15.609 4.426 2.781 454 2HG MET 60 2HG MET 60 -15.205 6.139 2.873 455 1HE MET 60 1HE MET 60 -17.596 5.616 4.561 456 2HE MET 60 2HE MET 60 -17.792 4.050 3.775 457 3HE MET 60 3HE MET 60 -19.125 5.204 3.787 458 H ASP 61 H ASP 61 -13.512 8.939 0.351 459 HA ASP 61 HA ASP 61 -12.074 10.173 1.609 460 1HB ASP 61 1HB ASP 61 -13.309 8.554 3.479 461 2HB ASP 61 2HB ASP 61 -11.596 8.289 3.778 462 H GLY 62 H GLY 62 -11.366 6.879 0.865 463 1HA GLY 62 1HA GLY 62 -9.088 6.859 -0.329 464 2HA GLY 62 2HA GLY 62 -8.501 7.349 1.242 465 H LEU 63 H LEU 63 -10.557 5.726 2.590 466 HA LEU 63 HA LEU 63 -9.053 3.305 2.710 467 1HB LEU 63 1HB LEU 63 -11.624 4.044 4.109 468 2HB LEU 63 2HB LEU 63 -10.640 2.637 4.466 469 HG LEU 63 HG LEU 63 -8.772 4.483 4.851 470 1HD1 LEU 63 1HD1 LEU 63 -10.440 6.278 4.184 471 2HD1 LEU 63 2HD1 LEU 63 -9.567 6.531 5.692 472 3HD1 LEU 63 3HD1 LEU 63 -11.230 5.959 5.722 473 1HD2 LEU 63 1HD2 LEU 63 -9.178 4.335 7.193 474 2HD2 LEU 63 2HD2 LEU 63 -9.673 2.799 6.469 475 3HD2 LEU 63 3HD2 LEU 63 -10.890 3.987 6.923 476 H ALA 64 H ALA 64 -11.800 4.424 0.979 477 HA ALA 64 HA ALA 64 -13.284 2.103 0.581 478 1HB ALA 64 1HB ALA 64 -13.076 4.659 -0.646 479 2HB ALA 64 2HB ALA 64 -14.420 3.521 -0.697 480 3HB ALA 64 3HB ALA 64 -13.144 3.436 -1.911 481 H LEU 65 H LEU 65 -10.215 3.078 -0.781 482 HA LEU 65 HA LEU 65 -10.028 1.272 -2.900 483 1HB LEU 65 1HB LEU 65 -7.744 2.132 -1.120 484 2HB LEU 65 2HB LEU 65 -7.643 1.589 -2.784 485 HG LEU 65 HG LEU 65 -9.149 4.086 -2.040 486 1HD1 LEU 65 1HD1 LEU 65 -6.992 5.217 -2.894 487 2HD1 LEU 65 2HD1 LEU 65 -6.207 3.703 -2.444 488 3HD1 LEU 65 3HD1 LEU 65 -7.053 4.656 -1.224 489 1HD2 LEU 65 1HD2 LEU 65 -9.587 3.134 -4.237 490 2HD2 LEU 65 2HD2 LEU 65 -7.862 3.127 -4.588 491 3HD2 LEU 65 3HD2 LEU 65 -8.709 4.657 -4.377 492 H LEU 66 H LEU 66 -9.193 0.933 0.514 493 HA LEU 66 HA LEU 66 -8.093 -1.621 0.476 494 1HB LEU 66 1HB LEU 66 -9.710 -0.196 2.586 495 2HB LEU 66 2HB LEU 66 -8.980 -1.764 2.858 496 HG LEU 66 HG LEU 66 -7.542 -0.138 3.830 497 1HD1 LEU 66 1HD1 LEU 66 -5.707 -1.126 3.086 498 2HD1 LEU 66 2HD1 LEU 66 -5.846 -0.343 1.512 499 3HD1 LEU 66 3HD1 LEU 66 -6.687 -1.862 1.819 500 1HD2 LEU 66 1HD2 LEU 66 -7.051 1.902 3.000 501 2HD2 LEU 66 2HD2 LEU 66 -8.543 1.640 2.102 502 3HD2 LEU 66 3HD2 LEU 66 -6.987 1.332 1.332 503 H LYS 67 H LYS 67 -11.474 -0.600 0.775 504 HA LYS 67 HA LYS 67 -12.699 -3.044 1.187 505 1HB LYS 67 1HB LYS 67 -13.764 -0.728 1.131 506 2HB LYS 67 2HB LYS 67 -13.844 -0.914 -0.616 507 1HG LYS 67 1HG LYS 67 -14.974 -3.248 0.285 508 2HG LYS 67 2HG LYS 67 -15.522 -2.062 1.471 509 1HD LYS 67 1HD LYS 67 -17.059 -1.352 0.029 510 2HD LYS 67 2HD LYS 67 -15.777 -0.873 -1.085 511 1HE LYS 67 1HE LYS 67 -16.756 -3.707 -0.932 512 2HE LYS 67 2HE LYS 67 -17.569 -2.504 -1.932 513 1HZ LYS 67 1HZ LYS 67 -15.022 -2.167 -2.669 514 2HZ LYS 67 2HZ LYS 67 -16.105 -3.191 -3.467 515 3HZ LYS 67 3HZ LYS 67 -15.024 -3.826 -2.331 516 H GLN 68 H GLN 68 -11.790 -1.549 -1.912 517 HA GLN 68 HA GLN 68 -12.844 -3.613 -3.532 518 1HB GLN 68 1HB GLN 68 -10.584 -1.722 -4.180 519 2HB GLN 68 2HB GLN 68 -11.547 -2.628 -5.337 520 1HG GLN 68 1HG GLN 68 -12.648 -0.523 -3.493 521 2HG GLN 68 2HG GLN 68 -12.147 -0.231 -5.160 522 1HE2 GLN 68 1HE2 GLN 68 -13.095 -2.264 -6.552 523 2HE2 GLN 68 2HE2 GLN 68 -14.815 -2.372 -6.438 524 H ILE 69 H ILE 69 -9.818 -3.139 -1.883 525 HA ILE 69 HA ILE 69 -8.269 -5.025 -3.248 526 HB ILE 69 HB ILE 69 -8.047 -4.051 -0.407 527 1HG1 ILE 69 1HG1 ILE 69 -6.428 -3.264 -2.834 528 2HG1 ILE 69 2HG1 ILE 69 -7.845 -2.374 -2.285 529 1HG2 ILE 69 1HG2 ILE 69 -6.725 -6.240 -1.573 530 2HG2 ILE 69 2HG2 ILE 69 -6.363 -5.449 -0.040 531 3HG2 ILE 69 3HG2 ILE 69 -5.551 -4.925 -1.516 532 1HD1 ILE 69 1HD1 ILE 69 -6.473 -1.185 -1.021 533 2HD1 ILE 69 2HD1 ILE 69 -5.130 -2.289 -1.327 534 3HD1 ILE 69 3HD1 ILE 69 -6.268 -2.623 -0.021 535 H LYS 70 H LYS 70 -10.365 -5.359 -0.456 536 HA LYS 70 HA LYS 70 -9.683 -8.091 -0.017 537 1HB LYS 70 1HB LYS 70 -11.364 -8.108 1.673 538 2HB LYS 70 2HB LYS 70 -10.536 -6.561 1.759 539 1HG LYS 70 1HG LYS 70 -12.477 -5.718 0.283 540 2HG LYS 70 2HG LYS 70 -13.308 -7.169 0.840 541 1HD LYS 70 1HD LYS 70 -12.349 -6.229 3.180 542 2HD LYS 70 2HD LYS 70 -12.576 -4.713 2.305 543 1HE LYS 70 1HE LYS 70 -14.592 -5.130 3.476 544 2HE LYS 70 2HE LYS 70 -14.909 -5.493 1.781 545 1HZ LYS 70 1HZ LYS 70 -15.523 -7.127 3.799 546 2HZ LYS 70 2HZ LYS 70 -14.002 -7.735 3.377 547 3HZ LYS 70 3HZ LYS 70 -15.233 -7.655 2.218 548 H GLN 71 H GLN 71 -11.899 -6.453 -2.067 549 HA GLN 71 HA GLN 71 -13.599 -8.723 -2.431 550 1HB GLN 71 1HB GLN 71 -14.838 -6.829 -2.723 551 2HB GLN 71 2HB GLN 71 -13.502 -5.932 -3.414 552 1HG GLN 71 1HG GLN 71 -14.150 -7.925 -5.287 553 2HG GLN 71 2HG GLN 71 -15.678 -7.267 -4.712 554 1HE2 GLN 71 1HE2 GLN 71 -12.628 -5.526 -4.939 555 2HE2 GLN 71 2HE2 GLN 71 -13.146 -4.416 -6.156 556 H ARG 72 H ARG 72 -10.843 -7.337 -4.045 557 HA ARG 72 HA ARG 72 -11.062 -9.356 -6.166 558 1HB ARG 72 1HB ARG 72 -9.542 -6.763 -6.052 559 2HB ARG 72 2HB ARG 72 -9.297 -7.952 -7.326 560 1HG ARG 72 1HG ARG 72 -11.600 -7.730 -8.024 561 2HG ARG 72 2HG ARG 72 -11.920 -6.619 -6.694 562 1HD ARG 72 1HD ARG 72 -10.683 -4.909 -7.650 563 2HD ARG 72 2HD ARG 72 -9.754 -6.017 -8.657 564 HE ARG 72 HE ARG 72 -12.609 -5.731 -9.200 565 1HH1 ARG 72 1HH1 ARG 72 -9.316 -5.023 -10.140 566 2HH1 ARG 72 2HH1 ARG 72 -9.745 -4.597 -11.761 567 1HH2 ARG 72 1HH2 ARG 72 -13.165 -5.173 -11.330 568 2HH2 ARG 72 2HH2 ARG 72 -11.928 -4.681 -12.438 569 H HIS 73 H HIS 73 -8.506 -7.778 -4.323 570 HA HIS 73 HA HIS 73 -6.691 -9.967 -4.770 571 1HB HIS 73 1HB HIS 73 -6.107 -7.806 -2.792 572 2HB HIS 73 2HB HIS 73 -5.039 -8.573 -3.967 573 HD1 HIS 73 HD1 HIS 73 -6.311 -8.054 -6.594 574 HD2 HIS 73 HD2 HIS 73 -6.345 -5.215 -3.566 575 HE1 HIS 73 HE1 HIS 73 -6.754 -5.860 -7.737 576 HE2 HIS 73 HE2 HIS 73 -6.862 -4.170 -5.874 577 HA PRO 74 HA PRO 74 -7.627 -12.012 -0.939 578 1HB PRO 74 1HB PRO 74 -5.929 -14.047 -1.172 579 2HB PRO 74 2HB PRO 74 -7.265 -13.844 -2.311 580 1HG PRO 74 1HG PRO 74 -4.368 -13.358 -2.696 581 2HG PRO 74 2HG PRO 74 -5.602 -13.808 -3.884 582 1HD PRO 74 1HD PRO 74 -4.569 -11.195 -3.323 583 2HD PRO 74 2HD PRO 74 -5.840 -11.637 -4.478 584 H MET 75 H MET 75 -7.010 -10.761 0.771 585 HA MET 75 HA MET 75 -5.797 -10.001 2.524 586 1HB MET 75 1HB MET 75 -4.594 -12.665 1.922 587 2HB MET 75 2HB MET 75 -3.982 -11.694 3.254 588 1HG MET 75 1HG MET 75 -6.640 -11.632 3.746 589 2HG MET 75 2HG MET 75 -6.477 -13.216 2.995 590 1HE MET 75 1HE MET 75 -7.621 -12.738 5.689 591 2HE MET 75 2HE MET 75 -6.539 -11.600 6.492 592 3HE MET 75 3HE MET 75 -6.656 -13.261 7.070 593 H LEU 76 H LEU 76 -5.006 -8.982 -0.031 594 HA LEU 76 HA LEU 76 -2.210 -8.974 -0.361 595 1HB LEU 76 1HB LEU 76 -4.277 -8.071 -1.827 596 2HB LEU 76 2HB LEU 76 -3.749 -6.559 -1.119 597 HG LEU 76 HG LEU 76 -2.020 -8.409 -2.758 598 1HD1 LEU 76 1HD1 LEU 76 -2.719 -7.342 -4.578 599 2HD1 LEU 76 2HD1 LEU 76 -2.507 -5.766 -3.815 600 3HD1 LEU 76 3HD1 LEU 76 -4.010 -6.661 -3.589 601 1HD2 LEU 76 1HD2 LEU 76 -0.258 -7.209 -2.119 602 2HD2 LEU 76 2HD2 LEU 76 -1.278 -6.468 -0.891 603 3HD2 LEU 76 3HD2 LEU 76 -1.092 -5.695 -2.461 604 HA PRO 77 HA PRO 77 -1.319 -6.611 3.420 605 1HB PRO 77 1HB PRO 77 1.344 -6.523 2.095 606 2HB PRO 77 2HB PRO 77 0.924 -6.987 3.747 607 1HG PRO 77 1HG PRO 77 1.581 -8.824 1.924 608 2HG PRO 77 2HG PRO 77 0.323 -9.132 3.135 609 1HD PRO 77 1HD PRO 77 0.043 -8.498 0.235 610 2HD PRO 77 2HD PRO 77 -0.942 -9.555 1.262 611 H VAL 78 H VAL 78 -2.011 -4.546 3.410 612 HA VAL 78 HA VAL 78 -0.866 -2.720 1.396 613 HB VAL 78 HB VAL 78 -3.535 -2.199 2.656 614 1HG1 VAL 78 1HG1 VAL 78 -2.409 -0.398 1.430 615 2HG1 VAL 78 2HG1 VAL 78 -3.905 -0.897 0.639 616 3HG1 VAL 78 3HG1 VAL 78 -2.350 -1.422 -0.006 617 1HG2 VAL 78 1HG2 VAL 78 -3.865 -4.369 1.755 618 2HG2 VAL 78 2HG2 VAL 78 -2.992 -3.961 0.277 619 3HG2 VAL 78 3HG2 VAL 78 -4.559 -3.227 0.608 620 H ILE 79 H ILE 79 -0.314 -0.679 2.004 621 HA ILE 79 HA ILE 79 -0.341 -0.077 4.887 622 HB ILE 79 HB ILE 79 1.813 0.834 2.986 623 1HG1 ILE 79 1HG1 ILE 79 2.520 -1.224 4.963 624 2HG1 ILE 79 2HG1 ILE 79 1.472 -1.793 3.669 625 1HG2 ILE 79 1HG2 ILE 79 2.308 0.547 5.867 626 2HG2 ILE 79 2HG2 ILE 79 1.149 1.796 5.413 627 3HG2 ILE 79 3HG2 ILE 79 2.786 1.830 4.755 628 1HD1 ILE 79 1HD1 ILE 79 3.845 -0.193 2.910 629 2HD1 ILE 79 2HD1 ILE 79 3.077 -1.549 2.084 630 3HD1 ILE 79 3HD1 ILE 79 4.106 -1.839 3.487 631 H ILE 80 H ILE 80 -1.625 1.625 5.251 632 HA ILE 80 HA ILE 80 -2.239 3.419 3.045 633 HB ILE 80 HB ILE 80 -3.492 3.526 5.771 634 1HG1 ILE 80 1HG1 ILE 80 -3.605 1.196 5.044 635 2HG1 ILE 80 2HG1 ILE 80 -5.194 1.938 4.927 636 1HG2 ILE 80 1HG2 ILE 80 -5.465 4.161 4.254 637 2HG2 ILE 80 2HG2 ILE 80 -4.237 4.406 3.011 638 3HG2 ILE 80 3HG2 ILE 80 -4.179 5.337 4.505 639 1HD1 ILE 80 1HD1 ILE 80 -4.377 0.441 3.011 640 2HD1 ILE 80 2HD1 ILE 80 -3.394 1.831 2.551 641 3HD1 ILE 80 3HD1 ILE 80 -5.150 1.976 2.617 642 H MET 81 H MET 81 -1.289 5.278 2.767 643 HA MET 81 HA MET 81 0.548 6.407 4.640 644 1HB MET 81 1HB MET 81 0.737 8.208 2.918 645 2HB MET 81 2HB MET 81 1.036 6.583 2.321 646 1HG MET 81 1HG MET 81 -0.601 6.719 0.848 647 2HG MET 81 2HG MET 81 -1.745 7.275 2.067 648 1HE MET 81 1HE MET 81 -0.822 9.576 3.217 649 2HE MET 81 2HE MET 81 -1.130 11.008 2.247 650 3HE MET 81 3HE MET 81 0.514 10.397 2.426 651 H THR 82 H THR 82 -2.809 6.664 4.394 652 HA THR 82 HA THR 82 -2.828 8.985 6.165 653 HB THR 82 HB THR 82 -4.702 8.944 3.817 654 HG1 THR 82 HG1 THR 82 -3.292 10.306 2.746 655 1HG2 THR 82 1HG2 THR 82 -4.874 11.322 4.199 656 2HG2 THR 82 2HG2 THR 82 -3.718 11.213 5.525 657 3HG2 THR 82 3HG2 THR 82 -5.294 10.432 5.662 658 H ALA 83 H ALA 83 -4.373 8.902 7.701 659 HA ALA 83 HA ALA 83 -6.591 7.029 7.315 660 1HB ALA 83 1HB ALA 83 -4.496 6.377 8.932 661 2HB ALA 83 2HB ALA 83 -6.136 5.721 9.044 662 3HB ALA 83 3HB ALA 83 -5.651 7.077 10.068 663 H HIS 84 H HIS 84 -7.845 8.871 6.893 664 HA HIS 84 HA HIS 84 -8.072 11.070 8.661 665 1HB HIS 84 1HB HIS 84 -10.224 10.103 6.770 666 2HB HIS 84 2HB HIS 84 -9.939 11.748 7.331 667 HD1 HIS 84 HD1 HIS 84 -7.657 12.867 6.421 668 HD2 HIS 84 HD2 HIS 84 -8.995 9.479 4.421 669 HE1 HIS 84 HE1 HIS 84 -6.450 12.868 4.217 670 HE2 HIS 84 HE2 HIS 84 -7.231 10.779 3.045 671 H SER 85 H SER 85 -10.950 11.238 8.897 672 HA SER 85 HA SER 85 -11.249 9.683 11.318 673 1HB SER 85 1HB SER 85 -13.351 11.512 10.196 674 2HB SER 85 2HB SER 85 -13.006 11.124 11.881 675 HG SER 85 HG SER 85 -10.819 12.183 11.117 676 H ASP 86 H ASP 86 -11.231 8.060 9.036 677 HA ASP 86 HA ASP 86 -13.978 7.020 9.111 678 1HB ASP 86 1HB ASP 86 -12.854 8.105 6.843 679 2HB ASP 86 2HB ASP 86 -12.500 6.393 6.658 680 H LEU 87 H LEU 87 -11.795 6.338 10.779 681 HA LEU 87 HA LEU 87 -10.205 4.227 10.135 682 1HB LEU 87 1HB LEU 87 -11.329 5.325 12.545 683 2HB LEU 87 2HB LEU 87 -11.249 3.578 12.665 684 HG LEU 87 HG LEU 87 -9.249 4.552 13.603 685 1HD1 LEU 87 1HD1 LEU 87 -7.741 3.124 12.641 686 2HD1 LEU 87 2HD1 LEU 87 -8.268 3.493 10.997 687 3HD1 LEU 87 3HD1 LEU 87 -9.252 2.454 12.027 688 1HD2 LEU 87 1HD2 LEU 87 -7.759 5.601 11.572 689 2HD2 LEU 87 2HD2 LEU 87 -8.652 6.541 12.765 690 3HD2 LEU 87 3HD2 LEU 87 -9.372 6.206 11.191 691 H ASP 88 H ASP 88 -13.647 4.198 10.280 692 HA ASP 88 HA ASP 88 -14.323 1.629 10.904 693 1HB ASP 88 1HB ASP 88 -15.462 3.634 9.015 694 2HB ASP 88 2HB ASP 88 -16.084 1.988 8.948 695 H ALA 89 H ALA 89 -13.490 2.742 7.592 696 HA ALA 89 HA ALA 89 -13.506 0.108 6.542 697 1HB ALA 89 1HB ALA 89 -12.378 2.678 5.468 698 2HB ALA 89 2HB ALA 89 -13.892 1.893 5.021 699 3HB ALA 89 3HB ALA 89 -12.352 1.157 4.575 700 H ALA 90 H ALA 90 -11.185 1.982 8.249 701 HA ALA 90 HA ALA 90 -8.839 0.653 7.358 702 1HB ALA 90 1HB ALA 90 -9.372 2.196 9.895 703 2HB ALA 90 2HB ALA 90 -8.636 2.806 8.413 704 3HB ALA 90 3HB ALA 90 -7.782 1.609 9.394 705 H VAL 91 H VAL 91 -11.005 0.174 10.143 706 HA VAL 91 HA VAL 91 -9.520 -1.937 11.282 707 HB VAL 91 HB VAL 91 -12.498 -1.638 11.561 708 1HG1 VAL 91 1HG1 VAL 91 -12.109 -3.484 12.782 709 2HG1 VAL 91 2HG1 VAL 91 -11.481 -2.355 13.983 710 3HG1 VAL 91 3HG1 VAL 91 -10.372 -3.175 12.879 711 1HG2 VAL 91 1HG2 VAL 91 -11.688 0.536 12.022 712 2HG2 VAL 91 2HG2 VAL 91 -10.285 -0.091 12.888 713 3HG2 VAL 91 3HG2 VAL 91 -11.896 -0.243 13.591 714 H SER 92 H SER 92 -12.212 -1.895 8.981 715 HA SER 92 HA SER 92 -12.472 -4.712 8.831 716 1HB SER 92 1HB SER 92 -13.756 -4.286 6.755 717 2HB SER 92 2HB SER 92 -14.291 -3.263 8.089 718 HG SER 92 HG SER 92 -12.424 -2.428 6.126 719 H ALA 93 H ALA 93 -10.274 -2.436 7.470 720 HA ALA 93 HA ALA 93 -9.413 -3.938 5.243 721 1HB ALA 93 1HB ALA 93 -8.978 -1.509 5.598 722 2HB ALA 93 2HB ALA 93 -7.553 -2.441 5.143 723 3HB ALA 93 3HB ALA 93 -7.794 -1.961 6.824 724 H TYR 94 H TYR 94 -8.498 -3.848 8.613 725 HA TYR 94 HA TYR 94 -6.253 -5.585 8.389 726 1HB TYR 94 1HB TYR 94 -7.973 -5.321 10.852 727 2HB TYR 94 2HB TYR 94 -6.258 -5.696 10.761 728 HD1 TYR 94 HD1 TYR 94 -8.225 -3.367 12.033 729 HD2 TYR 94 HD2 TYR 94 -5.161 -3.605 9.090 730 HE1 TYR 94 HE1 TYR 94 -7.695 -0.995 12.402 731 HE2 TYR 94 HE2 TYR 94 -4.624 -1.230 9.450 732 HH TYR 94 HH TYR 94 -6.558 0.791 11.606 733 H GLN 95 H GLN 95 -9.655 -5.984 8.469 734 HA GLN 95 HA GLN 95 -9.690 -8.731 9.285 735 1HB GLN 95 1HB GLN 95 -11.722 -7.753 9.736 736 2HB GLN 95 2HB GLN 95 -11.689 -6.757 8.293 737 1HG GLN 95 1HG GLN 95 -12.069 -9.715 8.095 738 2HG GLN 95 2HG GLN 95 -13.420 -8.649 8.475 739 1HE2 GLN 95 1HE2 GLN 95 -13.126 -6.524 6.926 740 2HE2 GLN 95 2HE2 GLN 95 -13.113 -6.953 5.251 741 H GLN 96 H GLN 96 -9.384 -7.022 6.264 742 HA GLN 96 HA GLN 96 -9.715 -9.465 4.749 743 1HB GLN 96 1HB GLN 96 -9.594 -8.107 2.764 744 2HB GLN 96 2HB GLN 96 -10.730 -7.386 3.893 745 1HG GLN 96 1HG GLN 96 -9.648 -5.495 3.412 746 2HG GLN 96 2HG GLN 96 -8.460 -6.093 4.561 747 1HE2 GLN 96 1HE2 GLN 96 -6.447 -6.135 3.891 748 2HE2 GLN 96 2HE2 GLN 96 -5.919 -6.189 2.248 749 H GLY 97 H GLY 97 -7.204 -7.640 6.180 750 1HA GLY 97 1HA GLY 97 -5.102 -9.005 6.261 751 2HA GLY 97 2HA GLY 97 -5.229 -9.077 4.514 752 H ALA 98 H ALA 98 -6.007 -6.111 6.180 753 HA ALA 98 HA ALA 98 -4.057 -4.657 4.717 754 1HB ALA 98 1HB ALA 98 -4.739 -2.763 6.231 755 2HB ALA 98 2HB ALA 98 -5.825 -3.900 7.031 756 3HB ALA 98 3HB ALA 98 -6.049 -3.519 5.324 757 H PHE 99 H PHE 99 -2.121 -3.690 5.436 758 HA PHE 99 HA PHE 99 -0.800 -5.143 7.522 759 1HB PHE 99 1HB PHE 99 0.338 -4.458 5.400 760 2HB PHE 99 2HB PHE 99 0.274 -2.790 5.964 761 HD1 PHE 99 HD1 PHE 99 1.183 -6.056 7.545 762 HD2 PHE 99 HD2 PHE 99 2.319 -2.052 6.667 763 HE1 PHE 99 HE1 PHE 99 3.289 -6.387 8.774 764 HE2 PHE 99 HE2 PHE 99 4.424 -2.382 7.884 765 HZ PHE 99 HZ PHE 99 4.915 -4.546 8.943 766 H ASP 100 H ASP 100 -1.536 -1.670 7.009 767 HA ASP 100 HA ASP 100 -2.337 -1.207 9.645 768 1HB ASP 100 1HB ASP 100 0.395 -1.611 9.571 769 2HB ASP 100 2HB ASP 100 0.258 0.144 9.539 770 H TYR 101 H TYR 101 -1.433 1.361 10.126 771 HA TYR 101 HA TYR 101 -2.121 2.897 7.721 772 1HB TYR 101 1HB TYR 101 -3.675 2.743 10.250 773 2HB TYR 101 2HB TYR 101 -3.465 4.350 9.558 774 HD1 TYR 101 HD1 TYR 101 -4.906 0.996 8.979 775 HD2 TYR 101 HD2 TYR 101 -4.560 4.989 7.555 776 HE1 TYR 101 HE1 TYR 101 -6.732 0.587 7.382 777 HE2 TYR 101 HE2 TYR 101 -6.386 4.594 5.970 778 HH TYR 101 HH TYR 101 -7.359 1.840 4.940 779 H LEU 102 H LEU 102 -0.674 4.458 7.413 780 HA LEU 102 HA LEU 102 0.710 5.575 9.760 781 1HB LEU 102 1HB LEU 102 2.764 5.520 8.679 782 2HB LEU 102 2HB LEU 102 2.028 4.004 8.202 783 HG LEU 102 HG LEU 102 1.255 5.668 6.166 784 1HD1 LEU 102 1HD1 LEU 102 4.127 6.315 6.397 785 2HD1 LEU 102 2HD1 LEU 102 3.006 7.244 7.395 786 3HD1 LEU 102 3HD1 LEU 102 2.812 7.214 5.642 787 1HD2 LEU 102 1HD2 LEU 102 3.872 4.404 5.744 788 2HD2 LEU 102 2HD2 LEU 102 2.343 4.171 4.894 789 3HD2 LEU 102 3HD2 LEU 102 2.636 3.340 6.419 790 HA PRO 103 HA PRO 103 -0.777 9.583 8.616 791 1HB PRO 103 1HB PRO 103 1.961 10.531 9.296 792 2HB PRO 103 2HB PRO 103 0.395 11.084 9.898 793 1HG PRO 103 1HG PRO 103 1.972 9.569 11.415 794 2HG PRO 103 2HG PRO 103 0.214 9.340 11.417 795 1HD PRO 103 1HD PRO 103 2.341 7.702 10.107 796 2HD PRO 103 2HD PRO 103 0.832 7.182 10.883 797 H LYS 104 H LYS 104 -0.069 11.578 7.314 798 HA LYS 104 HA LYS 104 0.315 10.990 4.687 799 1HB LYS 104 1HB LYS 104 -0.357 13.207 5.355 800 2HB LYS 104 2HB LYS 104 1.190 13.491 6.139 801 1HG LYS 104 1HG LYS 104 1.202 14.674 4.077 802 2HG LYS 104 2HG LYS 104 2.279 13.290 3.896 803 1HD LYS 104 1HD LYS 104 -0.284 12.423 3.105 804 2HD LYS 104 2HD LYS 104 -0.042 14.000 2.360 805 1HE LYS 104 1HE LYS 104 2.083 13.240 1.417 806 2HE LYS 104 2HE LYS 104 1.867 11.670 2.179 807 1HZ LYS 104 1HZ LYS 104 -0.432 12.070 0.728 808 2HZ LYS 104 2HZ LYS 104 0.855 11.053 0.293 809 3HZ LYS 104 3HZ LYS 104 0.798 12.644 -0.280 810 HA PRO 105 HA PRO 105 5.170 11.830 5.198 811 1HB PRO 105 1HB PRO 105 5.910 10.654 7.657 812 2HB PRO 105 2HB PRO 105 5.960 12.374 7.256 813 1HG PRO 105 1HG PRO 105 3.895 10.842 8.752 814 2HG PRO 105 2HG PRO 105 4.421 12.522 8.956 815 1HD PRO 105 1HD PRO 105 2.085 11.924 7.793 816 2HD PRO 105 2HD PRO 105 3.072 13.286 7.226 817 H PHE 106 H PHE 106 6.773 10.085 4.988 818 HA PHE 106 HA PHE 106 6.441 7.470 5.607 819 1HB PHE 106 1HB PHE 106 5.709 6.634 3.228 820 2HB PHE 106 2HB PHE 106 4.530 6.983 4.477 821 HD1 PHE 106 HD1 PHE 106 6.058 9.870 2.881 822 HD2 PHE 106 HD2 PHE 106 2.892 7.030 2.670 823 HE1 PHE 106 HE1 PHE 106 4.879 11.318 1.285 824 HE2 PHE 106 HE2 PHE 106 1.712 8.478 1.066 825 HZ PHE 106 HZ PHE 106 2.704 10.621 0.372 826 H ASP 107 H ASP 107 6.937 8.565 2.261 827 HA ASP 107 HA ASP 107 8.728 8.286 0.897 828 1HB ASP 107 1HB ASP 107 10.702 9.513 1.578 829 2HB ASP 107 2HB ASP 107 9.269 10.391 2.104 830 H ILE 108 H ILE 108 11.348 7.610 1.244 831 HA ILE 108 HA ILE 108 11.134 4.867 1.568 832 HB ILE 108 HB ILE 108 13.423 6.706 1.248 833 1HG1 ILE 108 1HG1 ILE 108 13.647 5.667 -0.860 834 2HG1 ILE 108 2HG1 ILE 108 12.688 4.277 -0.353 835 1HG2 ILE 108 1HG2 ILE 108 14.105 4.844 2.862 836 2HG2 ILE 108 2HG2 ILE 108 15.088 5.069 1.419 837 3HG2 ILE 108 3HG2 ILE 108 13.912 3.761 1.483 838 1HD1 ILE 108 1HD1 ILE 108 10.716 5.757 -0.214 839 2HD1 ILE 108 2HD1 ILE 108 11.388 5.630 -1.829 840 3HD1 ILE 108 3HD1 ILE 108 11.691 7.067 -0.863 841 H ASP 109 H ASP 109 12.574 7.193 3.761 842 HA ASP 109 HA ASP 109 13.453 5.438 5.688 843 1HB ASP 109 1HB ASP 109 13.683 8.009 5.565 844 2HB ASP 109 2HB ASP 109 12.164 8.043 6.455 845 H GLU 110 H GLU 110 10.273 7.104 5.776 846 HA GLU 110 HA GLU 110 9.389 5.416 7.885 847 1HB GLU 110 1HB GLU 110 7.747 7.357 6.294 848 2HB GLU 110 2HB GLU 110 7.338 6.682 7.852 849 1HG GLU 110 1HG GLU 110 9.832 8.271 7.574 850 2HG GLU 110 2HG GLU 110 8.273 9.108 7.595 851 H ALA 111 H ALA 111 8.975 5.362 4.396 852 HA ALA 111 HA ALA 111 6.782 3.510 4.626 853 1HB ALA 111 1HB ALA 111 6.484 4.856 2.764 854 2HB ALA 111 2HB ALA 111 7.085 3.342 2.081 855 3HB ALA 111 3HB ALA 111 8.172 4.708 2.269 856 H VAL 112 H VAL 112 10.145 3.345 3.399 857 HA VAL 112 HA VAL 112 10.150 0.596 2.925 858 HB VAL 112 HB VAL 112 12.520 2.208 3.857 859 1HG1 VAL 112 1HG1 VAL 112 13.730 0.362 3.557 860 2HG1 VAL 112 2HG1 VAL 112 13.060 0.127 1.941 861 3HG1 VAL 112 3HG1 VAL 112 12.224 -0.534 3.348 862 1HG2 VAL 112 1HG2 VAL 112 12.727 1.932 1.135 863 2HG2 VAL 112 2HG2 VAL 112 12.186 3.374 1.984 864 3HG2 VAL 112 3HG2 VAL 112 11.004 2.230 1.363 865 H ALA 113 H ALA 113 10.563 2.441 5.832 866 HA ALA 113 HA ALA 113 11.566 0.472 7.558 867 1HB ALA 113 1HB ALA 113 10.572 3.111 7.758 868 2HB ALA 113 2HB ALA 113 11.430 2.181 8.990 869 3HB ALA 113 3HB ALA 113 9.668 2.133 8.911 870 H LEU 114 H LEU 114 8.273 1.505 6.888 871 HA LEU 114 HA LEU 114 7.033 -0.551 8.403 872 1HB LEU 114 1HB LEU 114 6.180 1.784 7.896 873 2HB LEU 114 2HB LEU 114 5.783 1.195 6.299 874 HG LEU 114 HG LEU 114 4.071 -0.220 7.128 875 1HD1 LEU 114 1HD1 LEU 114 4.912 -1.288 9.005 876 2HD1 LEU 114 2HD1 LEU 114 3.663 -0.240 9.675 877 3HD1 LEU 114 3HD1 LEU 114 5.363 0.222 9.792 878 1HD2 LEU 114 1HD2 LEU 114 2.814 1.616 7.253 879 2HD2 LEU 114 2HD2 LEU 114 4.162 2.573 7.855 880 3HD2 LEU 114 3HD2 LEU 114 3.152 1.663 8.978 881 H VAL 115 H VAL 115 8.167 -0.348 5.132 882 HA VAL 115 HA VAL 115 6.402 -2.389 4.170 883 HB VAL 115 HB VAL 115 7.432 -0.558 2.718 884 1HG1 VAL 115 1HG1 VAL 115 9.792 -1.131 3.461 885 2HG1 VAL 115 2HG1 VAL 115 9.538 -0.891 1.739 886 3HG1 VAL 115 3HG1 VAL 115 9.678 -2.522 2.392 887 1HG2 VAL 115 1HG2 VAL 115 7.911 -2.785 1.048 888 2HG2 VAL 115 2HG2 VAL 115 6.455 -1.799 1.166 889 3HG2 VAL 115 3HG2 VAL 115 6.637 -3.231 2.176 890 H GLU 116 H GLU 116 9.906 -2.314 4.826 891 HA GLU 116 HA GLU 116 10.415 -4.979 4.193 892 1HB GLU 116 1HB GLU 116 11.790 -3.044 6.040 893 2HB GLU 116 2HB GLU 116 12.387 -4.681 5.806 894 1HG GLU 116 1HG GLU 116 12.412 -4.161 3.323 895 2HG GLU 116 2HG GLU 116 12.167 -2.478 3.783 896 H ARG 117 H ARG 117 9.374 -3.532 7.254 897 HA ARG 117 HA ARG 117 9.625 -5.892 8.775 898 1HB ARG 117 1HB ARG 117 8.214 -4.760 10.425 899 2HB ARG 117 2HB ARG 117 9.481 -3.702 9.822 900 1HG ARG 117 1HG ARG 117 7.960 -2.457 8.523 901 2HG ARG 117 2HG ARG 117 6.682 -3.656 8.737 902 1HD ARG 117 1HD ARG 117 6.120 -1.931 10.220 903 2HD ARG 117 2HD ARG 117 6.875 -3.159 11.230 904 HE ARG 117 HE ARG 117 8.549 -0.983 10.233 905 1HH1 ARG 117 1HH1 ARG 117 6.826 -2.430 12.909 906 2HH1 ARG 117 2HH1 ARG 117 7.695 -1.536 14.109 907 1HH2 ARG 117 1HH2 ARG 117 9.683 0.194 11.816 908 2HH2 ARG 117 2HH2 ARG 117 9.310 -0.046 13.490 909 H ALA 118 H ALA 118 7.274 -4.810 6.514 910 HA ALA 118 HA ALA 118 5.110 -6.429 7.391 911 1HB ALA 118 1HB ALA 118 4.730 -4.459 6.008 912 2HB ALA 118 2HB ALA 118 4.109 -5.906 5.212 913 3HB ALA 118 3HB ALA 118 5.635 -5.199 4.688 914 H ILE 119 H ILE 119 7.517 -6.768 4.790 915 HA ILE 119 HA ILE 119 6.627 -9.340 3.990 916 HB ILE 119 HB ILE 119 9.354 -8.154 3.513 917 1HG1 ILE 119 1HG1 ILE 119 7.277 -7.909 1.426 918 2HG1 ILE 119 2HG1 ILE 119 7.060 -6.879 2.836 919 1HG2 ILE 119 1HG2 ILE 119 9.275 -10.458 2.903 920 2HG2 ILE 119 2HG2 ILE 119 9.208 -9.504 1.420 921 3HG2 ILE 119 3HG2 ILE 119 7.739 -10.240 2.063 922 1HD1 ILE 119 1HD1 ILE 119 8.330 -5.875 0.920 923 2HD1 ILE 119 2HD1 ILE 119 9.626 -7.013 1.293 924 3HD1 ILE 119 3HD1 ILE 119 9.133 -5.813 2.490 925 H SER 120 H SER 120 8.940 -8.155 6.289 926 HA SER 120 HA SER 120 10.361 -10.555 6.719 927 1HB SER 120 1HB SER 120 11.269 -8.412 7.447 928 2HB SER 120 2HB SER 120 9.924 -8.198 8.567 929 HG SER 120 HG SER 120 11.753 -10.363 8.683 930 H HIS 121 H HIS 121 7.400 -9.237 8.051 931 HA HIS 121 HA HIS 121 7.169 -11.233 10.102 932 1HB HIS 121 1HB HIS 121 5.407 -9.034 9.078 933 2HB HIS 121 2HB HIS 121 4.741 -10.265 10.146 934 HD1 HIS 121 HD1 HIS 121 8.205 -9.542 10.982 935 HD2 HIS 121 HD2 HIS 121 4.486 -7.942 11.918 936 HE1 HIS 121 HE1 HIS 121 8.577 -8.124 13.027 937 HE2 HIS 121 HE2 HIS 121 6.302 -7.211 13.608 938 H TYR 122 H TYR 122 6.287 -10.968 6.787 939 HA TYR 122 HA TYR 122 4.204 -12.899 6.799 940 1HB TYR 122 1HB TYR 122 5.499 -11.209 4.869 941 2HB TYR 122 2HB TYR 122 5.348 -12.843 4.231 942 HD1 TYR 122 HD1 TYR 122 3.143 -10.701 6.364 943 HD2 TYR 122 HD2 TYR 122 3.544 -12.988 2.799 944 HE1 TYR 122 HE1 TYR 122 0.782 -10.269 5.829 945 HE2 TYR 122 HE2 TYR 122 1.185 -12.561 2.252 946 HH TYR 122 HH TYR 122 -0.848 -11.908 3.247 947 H GLN 123 H GLN 123 7.543 -13.080 5.546 948 HA GLN 123 HA GLN 123 7.436 -15.927 5.333 949 1HB GLN 123 1HB GLN 123 9.287 -13.797 4.606 950 2HB GLN 123 2HB GLN 123 10.107 -15.235 5.196 951 1HG GLN 123 1HG GLN 123 8.496 -16.456 3.530 952 2HG GLN 123 2HG GLN 123 8.434 -14.867 2.767 953 1HE2 GLN 123 1HE2 GLN 123 9.536 -15.410 0.935 954 2HE2 GLN 123 2HE2 GLN 123 11.207 -15.848 0.921 955 H GLU 124 H GLU 124 9.368 -17.199 6.310 956 HA GLU 124 HA GLU 124 10.002 -18.255 8.244 957 1HB GLU 124 1HB GLU 124 11.599 -16.958 9.561 958 2HB GLU 124 2HB GLU 124 11.843 -16.699 7.839 959 1HG GLU 124 1HG GLU 124 11.046 -14.531 7.920 960 2HG GLU 124 2HG GLU 124 10.159 -14.805 9.419 Start of MODEL 13 1 1H MET 1 1H MET 1 5.773 -12.103 -8.098 2 2H MET 1 2H MET 1 4.249 -12.221 -8.876 3 3H MET 1 3H MET 1 4.896 -13.574 -8.048 4 HA MET 1 HA MET 1 4.069 -11.012 -6.862 5 1HB MET 1 1HB MET 1 2.255 -12.339 -5.878 6 2HB MET 1 2HB MET 1 2.196 -12.364 -7.633 7 1HG MET 1 1HG MET 1 3.603 -14.590 -7.251 8 2HG MET 1 2HG MET 1 2.740 -14.547 -5.716 9 1HE MET 1 1HE MET 1 0.282 -13.686 -5.747 10 2HE MET 1 2HE MET 1 -0.932 -14.547 -6.691 11 3HE MET 1 3HE MET 1 -0.228 -13.053 -7.312 12 H GLN 2 H GLN 2 5.754 -14.056 -6.501 13 HA GLN 2 HA GLN 2 6.108 -13.584 -3.637 14 1HB GLN 2 1HB GLN 2 5.525 -15.871 -4.501 15 2HB GLN 2 2HB GLN 2 7.108 -15.916 -5.267 16 1HG GLN 2 1HG GLN 2 7.897 -15.332 -2.807 17 2HG GLN 2 2HG GLN 2 6.375 -16.125 -2.405 18 1HE2 GLN 2 1HE2 GLN 2 9.467 -16.723 -2.436 19 2HE2 GLN 2 2HE2 GLN 2 9.507 -18.371 -2.956 20 H ARG 3 H ARG 3 7.726 -13.148 -6.611 21 HA ARG 3 HA ARG 3 10.407 -13.316 -5.751 22 1HB ARG 3 1HB ARG 3 10.844 -11.875 -7.787 23 2HB ARG 3 2HB ARG 3 10.006 -13.392 -8.079 24 1HG ARG 3 1HG ARG 3 8.065 -11.368 -7.582 25 2HG ARG 3 2HG ARG 3 9.207 -10.779 -8.793 26 1HD ARG 3 1HD ARG 3 8.856 -13.159 -9.833 27 2HD ARG 3 2HD ARG 3 7.362 -13.122 -8.897 28 HE ARG 3 HE ARG 3 7.810 -10.790 -10.534 29 1HH1 ARG 3 1HH1 ARG 3 6.434 -13.993 -10.385 30 2HH1 ARG 3 2HH1 ARG 3 5.311 -13.706 -11.671 31 1HH2 ARG 3 1HH2 ARG 3 6.331 -10.409 -12.224 32 2HH2 ARG 3 2HH2 ARG 3 5.252 -11.671 -12.716 33 H GLY 4 H GLY 4 8.097 -11.238 -4.661 34 1HA GLY 4 1HA GLY 4 8.491 -9.527 -3.092 35 2HA GLY 4 2HA GLY 4 10.122 -9.354 -3.729 36 H ILE 5 H ILE 5 6.765 -8.501 -4.150 37 HA ILE 5 HA ILE 5 7.596 -6.421 -6.072 38 HB ILE 5 HB ILE 5 4.846 -7.603 -6.024 39 1HG1 ILE 5 1HG1 ILE 5 6.107 -9.551 -6.434 40 2HG1 ILE 5 2HG1 ILE 5 5.630 -8.984 -8.030 41 1HG2 ILE 5 1HG2 ILE 5 5.966 -5.467 -7.364 42 2HG2 ILE 5 2HG2 ILE 5 4.442 -6.265 -7.750 43 3HG2 ILE 5 3HG2 ILE 5 5.924 -6.752 -8.572 44 1HD1 ILE 5 1HD1 ILE 5 7.750 -9.048 -8.638 45 2HD1 ILE 5 2HD1 ILE 5 8.233 -9.494 -6.999 46 3HD1 ILE 5 3HD1 ILE 5 8.113 -7.794 -7.450 47 H VAL 6 H VAL 6 7.322 -4.425 -5.266 48 HA VAL 6 HA VAL 6 5.208 -4.004 -3.255 49 HB VAL 6 HB VAL 6 7.566 -3.498 -2.518 50 1HG1 VAL 6 1HG1 VAL 6 8.427 -1.253 -3.335 51 2HG1 VAL 6 2HG1 VAL 6 7.298 -1.407 -4.668 52 3HG1 VAL 6 3HG1 VAL 6 8.572 -2.600 -4.457 53 1HG2 VAL 6 1HG2 VAL 6 5.350 -2.401 -1.711 54 2HG2 VAL 6 2HG2 VAL 6 5.969 -0.969 -2.531 55 3HG2 VAL 6 3HG2 VAL 6 6.892 -1.702 -1.220 56 H TRP 7 H TRP 7 3.596 -2.613 -3.697 57 HA TRP 7 HA TRP 7 3.908 -0.930 -6.095 58 1HB TRP 7 1HB TRP 7 1.573 -2.587 -5.182 59 2HB TRP 7 2HB TRP 7 1.323 -1.187 -6.224 60 HD1 TRP 7 HD1 TRP 7 4.530 -2.592 -7.207 61 HE1 TRP 7 HE1 TRP 7 4.321 -4.102 -9.268 62 HE3 TRP 7 HE3 TRP 7 -0.539 -3.215 -7.225 63 HZ2 TRP 7 HZ2 TRP 7 2.275 -5.400 -10.710 64 HZ3 TRP 7 HZ3 TRP 7 -1.543 -4.608 -8.985 65 HH2 TRP 7 HH2 TRP 7 -0.160 -5.679 -10.689 66 H VAL 8 H VAL 8 3.675 1.189 -5.790 67 HA VAL 8 HA VAL 8 2.458 2.075 -3.256 68 HB VAL 8 HB VAL 8 4.489 3.847 -4.435 69 1HG1 VAL 8 1HG1 VAL 8 3.168 3.926 -2.181 70 2HG1 VAL 8 2HG1 VAL 8 4.847 4.454 -2.257 71 3HG1 VAL 8 3HG1 VAL 8 4.456 2.853 -1.628 72 1HG2 VAL 8 1HG2 VAL 8 6.258 2.362 -3.175 73 2HG2 VAL 8 2HG2 VAL 8 5.856 2.050 -4.866 74 3HG2 VAL 8 3HG2 VAL 8 5.141 1.061 -3.591 75 H VAL 9 H VAL 9 0.789 3.352 -3.449 76 HA VAL 9 HA VAL 9 0.511 4.970 -5.894 77 HB VAL 9 HB VAL 9 -1.975 4.974 -4.602 78 1HG1 VAL 9 1HG1 VAL 9 -0.884 3.546 -6.999 79 2HG1 VAL 9 2HG1 VAL 9 -1.857 5.012 -6.939 80 3HG1 VAL 9 3HG1 VAL 9 -2.586 3.456 -6.556 81 1HG2 VAL 9 1HG2 VAL 9 -1.353 3.100 -3.231 82 2HG2 VAL 9 2HG2 VAL 9 -0.797 2.199 -4.634 83 3HG2 VAL 9 3HG2 VAL 9 -2.512 2.566 -4.440 84 H ASP 10 H ASP 10 1.038 7.018 -5.568 85 HA ASP 10 HA ASP 10 -0.233 8.676 -3.704 86 1HB ASP 10 1HB ASP 10 1.249 7.430 -2.098 87 2HB ASP 10 2HB ASP 10 2.637 8.132 -2.925 88 H ASP 11 H ASP 11 -0.255 9.405 -6.029 89 HA ASP 11 HA ASP 11 0.184 11.087 -7.488 90 1HB ASP 11 1HB ASP 11 0.614 12.371 -5.365 91 2HB ASP 11 2HB ASP 11 2.326 12.015 -5.579 92 H ASP 12 H ASP 12 2.347 8.681 -6.801 93 HA ASP 12 HA ASP 12 4.294 7.929 -7.729 94 1HB ASP 12 1HB ASP 12 4.192 7.871 -10.219 95 2HB ASP 12 2HB ASP 12 2.701 7.351 -9.442 96 H SER 13 H SER 13 4.920 9.588 -10.479 97 HA SER 13 HA SER 13 6.790 10.782 -11.001 98 1HB SER 13 1HB SER 13 4.682 12.249 -10.735 99 2HB SER 13 2HB SER 13 5.531 12.931 -9.351 100 HG SER 13 HG SER 13 7.147 12.775 -11.529 101 H SER 14 H SER 14 6.303 12.366 -7.909 102 HA SER 14 HA SER 14 9.121 12.169 -7.332 103 1HB SER 14 1HB SER 14 8.126 14.255 -6.785 104 2HB SER 14 2HB SER 14 6.799 13.481 -5.921 105 HG SER 14 HG SER 14 9.222 14.226 -5.009 106 H ILE 15 H ILE 15 6.117 11.043 -5.779 107 HA ILE 15 HA ILE 15 7.375 9.724 -3.647 108 HB ILE 15 HB ILE 15 4.670 9.095 -4.848 109 1HG1 ILE 15 1HG1 ILE 15 4.864 11.451 -4.217 110 2HG1 ILE 15 2HG1 ILE 15 3.809 10.601 -3.093 111 1HG2 ILE 15 1HG2 ILE 15 4.669 8.663 -2.083 112 2HG2 ILE 15 2HG2 ILE 15 6.164 7.934 -2.668 113 3HG2 ILE 15 3HG2 ILE 15 4.617 7.442 -3.355 114 1HD1 ILE 15 1HD1 ILE 15 5.090 11.904 -1.697 115 2HD1 ILE 15 2HD1 ILE 15 6.553 11.683 -2.656 116 3HD1 ILE 15 3HD1 ILE 15 5.946 10.363 -1.656 117 H ARG 16 H ARG 16 6.993 8.777 -6.945 118 HA ARG 16 HA ARG 16 7.344 5.956 -6.415 119 1HB ARG 16 1HB ARG 16 7.564 5.763 -8.884 120 2HB ARG 16 2HB ARG 16 6.060 6.465 -8.325 121 1HG ARG 16 1HG ARG 16 6.372 8.234 -9.589 122 2HG ARG 16 2HG ARG 16 7.935 8.549 -8.848 123 1HD ARG 16 1HD ARG 16 8.661 6.555 -10.432 124 2HD ARG 16 2HD ARG 16 7.257 7.089 -11.345 125 HE ARG 16 HE ARG 16 9.485 8.893 -10.653 126 1HH1 ARG 16 1HH1 ARG 16 7.186 7.634 -12.978 127 2HH1 ARG 16 2HH1 ARG 16 7.701 8.700 -14.238 128 1HH2 ARG 16 1HH2 ARG 16 10.157 10.277 -12.322 129 2HH2 ARG 16 2HH2 ARG 16 9.385 10.194 -13.871 130 H TRP 17 H TRP 17 9.308 8.438 -8.050 131 HA TRP 17 HA TRP 17 11.570 6.991 -8.561 132 1HB TRP 17 1HB TRP 17 11.187 9.347 -9.253 133 2HB TRP 17 2HB TRP 17 11.559 9.855 -7.607 134 HD1 TRP 17 HD1 TRP 17 13.230 8.479 -10.763 135 HE1 TRP 17 HE1 TRP 17 15.776 8.797 -10.550 136 HE3 TRP 17 HE3 TRP 17 13.445 10.073 -5.912 137 HZ2 TRP 17 HZ2 TRP 17 17.630 9.620 -8.585 138 HZ3 TRP 17 HZ3 TRP 17 15.643 10.604 -4.939 139 HH2 TRP 17 HH2 TRP 17 17.691 10.381 -6.249 140 H VAL 18 H VAL 18 10.743 8.559 -5.484 141 HA VAL 18 HA VAL 18 13.227 7.965 -4.272 142 HB VAL 18 HB VAL 18 10.861 8.259 -2.512 143 1HG1 VAL 18 1HG1 VAL 18 12.342 9.228 -1.065 144 2HG1 VAL 18 2HG1 VAL 18 13.336 9.900 -2.357 145 3HG1 VAL 18 3HG1 VAL 18 13.437 8.183 -1.971 146 1HG2 VAL 18 1HG2 VAL 18 11.425 10.124 -4.660 147 2HG2 VAL 18 2HG2 VAL 18 11.557 10.882 -3.076 148 3HG2 VAL 18 3HG2 VAL 18 10.065 10.066 -3.539 149 H LEU 19 H LEU 19 10.044 6.597 -3.601 150 HA LEU 19 HA LEU 19 11.047 4.508 -2.018 151 1HB LEU 19 1HB LEU 19 8.611 5.525 -2.327 152 2HB LEU 19 2HB LEU 19 8.445 4.136 -3.385 153 HG LEU 19 HG LEU 19 9.007 2.633 -1.539 154 1HD1 LEU 19 1HD1 LEU 19 9.280 5.186 0.031 155 2HD1 LEU 19 2HD1 LEU 19 10.507 3.948 -0.240 156 3HD1 LEU 19 3HD1 LEU 19 9.109 3.596 0.773 157 1HD2 LEU 19 1HD2 LEU 19 7.006 3.981 -0.038 158 2HD2 LEU 19 2HD2 LEU 19 6.831 2.592 -1.110 159 3HD2 LEU 19 3HD2 LEU 19 6.672 4.227 -1.752 160 H GLU 20 H GLU 20 10.600 4.727 -5.454 161 HA GLU 20 HA GLU 20 10.570 1.946 -5.941 162 1HB GLU 20 1HB GLU 20 10.798 2.433 -8.234 163 2HB GLU 20 2HB GLU 20 9.839 3.732 -7.562 164 1HG GLU 20 1HG GLU 20 11.848 5.151 -7.529 165 2HG GLU 20 2HG GLU 20 12.751 3.840 -8.288 166 H ARG 21 H ARG 21 13.184 4.285 -6.392 167 HA ARG 21 HA ARG 21 15.199 2.502 -7.024 168 1HB ARG 21 1HB ARG 21 15.270 5.169 -5.634 169 2HB ARG 21 2HB ARG 21 16.736 4.283 -6.025 170 1HG ARG 21 1HG ARG 21 15.019 4.438 -8.323 171 2HG ARG 21 2HG ARG 21 15.320 6.046 -7.662 172 1HD ARG 21 1HD ARG 21 17.653 4.239 -7.910 173 2HD ARG 21 2HD ARG 21 16.960 4.851 -9.408 174 HE ARG 21 HE ARG 21 17.581 7.018 -8.801 175 1HH1 ARG 21 1HH1 ARG 21 18.499 4.700 -6.346 176 2HH1 ARG 21 2HH1 ARG 21 19.525 5.814 -5.511 177 1HH2 ARG 21 1HH2 ARG 21 18.946 8.466 -7.705 178 2HH2 ARG 21 2HH2 ARG 21 19.782 7.944 -6.280 179 H ALA 22 H ALA 22 14.812 3.986 -3.793 180 HA ALA 22 HA ALA 22 16.639 2.402 -2.466 181 1HB ALA 22 1HB ALA 22 14.874 4.411 -1.759 182 2HB ALA 22 2HB ALA 22 16.047 3.625 -0.701 183 3HB ALA 22 3HB ALA 22 14.384 3.040 -0.763 184 H LEU 23 H LEU 23 13.413 1.582 -3.419 185 HA LEU 23 HA LEU 23 13.298 -0.717 -1.682 186 1HB LEU 23 1HB LEU 23 11.285 0.597 -2.360 187 2HB LEU 23 2HB LEU 23 11.481 -0.031 -3.985 188 HG LEU 23 HG LEU 23 9.780 -1.138 -2.376 189 1HD1 LEU 23 1HD1 LEU 23 11.741 -2.866 -3.868 190 2HD1 LEU 23 2HD1 LEU 23 10.429 -1.957 -4.611 191 3HD1 LEU 23 3HD1 LEU 23 10.068 -3.251 -3.472 192 1HD2 LEU 23 1HD2 LEU 23 12.260 -2.600 -1.504 193 2HD2 LEU 23 2HD2 LEU 23 10.602 -2.871 -0.967 194 3HD2 LEU 23 3HD2 LEU 23 11.439 -1.382 -0.528 195 H ALA 24 H ALA 24 14.205 0.003 -4.941 196 HA ALA 24 HA ALA 24 14.216 -2.656 -5.926 197 1HB ALA 24 1HB ALA 24 14.251 -0.698 -7.422 198 2HB ALA 24 2HB ALA 24 15.609 -1.781 -7.735 199 3HB ALA 24 3HB ALA 24 15.862 -0.286 -6.834 200 H GLY 25 H GLY 25 16.440 -0.661 -4.090 201 1HA GLY 25 1HA GLY 25 18.750 -2.272 -4.370 202 2HA GLY 25 2HA GLY 25 18.423 -1.163 -3.041 203 H ALA 26 H ALA 26 15.864 -2.565 -2.465 204 HA ALA 26 HA ALA 26 16.925 -4.499 -0.646 205 1HB ALA 26 1HB ALA 26 15.184 -3.232 0.253 206 2HB ALA 26 2HB ALA 26 14.437 -4.792 -0.095 207 3HB ALA 26 3HB ALA 26 14.178 -3.427 -1.183 208 H GLY 27 H GLY 27 15.774 -4.571 -3.848 209 1HA GLY 27 1HA GLY 27 16.047 -6.482 -5.207 210 2HA GLY 27 2HA GLY 27 15.874 -7.489 -3.785 211 H LEU 28 H LEU 28 13.472 -4.967 -4.397 212 HA LEU 28 HA LEU 28 11.696 -7.080 -5.372 213 1HB LEU 28 1HB LEU 28 10.544 -4.925 -3.701 214 2HB LEU 28 2HB LEU 28 10.012 -6.577 -3.910 215 HG LEU 28 HG LEU 28 12.334 -7.038 -2.678 216 1HD1 LEU 28 1HD1 LEU 28 13.230 -5.321 -1.633 217 2HD1 LEU 28 2HD1 LEU 28 11.690 -4.902 -0.880 218 3HD1 LEU 28 3HD1 LEU 28 12.095 -4.270 -2.478 219 1HD2 LEU 28 1HD2 LEU 28 9.667 -7.286 -2.084 220 2HD2 LEU 28 2HD2 LEU 28 10.271 -6.309 -0.744 221 3HD2 LEU 28 3HD2 LEU 28 10.997 -7.878 -1.088 222 H THR 29 H THR 29 9.692 -6.280 -6.432 223 HA THR 29 HA THR 29 10.410 -4.314 -8.414 224 HB THR 29 HB THR 29 7.893 -5.943 -8.022 225 HG1 THR 29 HG1 THR 29 9.993 -6.942 -8.665 226 1HG2 THR 29 1HG2 THR 29 8.067 -5.243 -10.690 227 2HG2 THR 29 2HG2 THR 29 8.388 -3.744 -9.819 228 3HG2 THR 29 3HG2 THR 29 6.902 -4.643 -9.510 229 H CYS 30 H CYS 30 9.859 -2.230 -8.471 230 HA CYS 30 HA CYS 30 7.831 -1.255 -6.555 231 1HB CYS 30 1HB CYS 30 9.253 0.899 -6.699 232 2HB CYS 30 2HB CYS 30 9.836 -0.435 -5.711 233 HG CYS 30 HG CYS 30 11.879 0.194 -7.037 234 H THR 31 H THR 31 6.075 -0.665 -7.640 235 HA THR 31 HA THR 31 6.409 1.143 -9.918 236 HB THR 31 HB THR 31 5.853 -1.297 -10.620 237 HG1 THR 31 HG1 THR 31 5.514 0.025 -12.244 238 1HG2 THR 31 1HG2 THR 31 3.729 -0.972 -8.875 239 2HG2 THR 31 2HG2 THR 31 3.948 -2.244 -10.074 240 3HG2 THR 31 3HG2 THR 31 3.036 -0.798 -10.482 241 H THR 32 H THR 32 5.064 2.891 -9.813 242 HA THR 32 HA THR 32 3.093 2.885 -7.638 243 HB THR 32 HB THR 32 3.504 5.257 -7.385 244 HG1 THR 32 HG1 THR 32 4.925 4.879 -9.757 245 1HG2 THR 32 1HG2 THR 32 5.472 5.143 -6.276 246 2HG2 THR 32 2HG2 THR 32 6.294 4.297 -7.587 247 3HG2 THR 32 3HG2 THR 32 5.209 3.413 -6.513 248 H PHE 33 H PHE 33 1.231 4.135 -7.817 249 HA PHE 33 HA PHE 33 0.385 4.936 -10.497 250 1HB PHE 33 1HB PHE 33 -1.552 3.458 -8.745 251 2HB PHE 33 2HB PHE 33 -1.606 3.731 -10.477 252 HD1 PHE 33 HD1 PHE 33 -1.429 1.821 -11.702 253 HD2 PHE 33 HD2 PHE 33 0.827 2.153 -8.109 254 HE1 PHE 33 HE1 PHE 33 -0.465 -0.404 -12.102 255 HE2 PHE 33 HE2 PHE 33 1.805 -0.060 -8.510 256 HZ PHE 33 HZ PHE 33 1.148 -1.352 -10.503 257 H GLU 34 H GLU 34 -1.876 6.047 -10.278 258 HA GLU 34 HA GLU 34 -1.554 8.368 -8.777 259 1HB GLU 34 1HB GLU 34 -4.035 8.669 -9.325 260 2HB GLU 34 2HB GLU 34 -2.944 8.428 -10.684 261 1HG GLU 34 1HG GLU 34 -4.005 6.593 -11.334 262 2HG GLU 34 2HG GLU 34 -3.961 5.907 -9.709 263 H ASN 35 H ASN 35 -4.703 7.240 -8.141 264 HA ASN 35 HA ASN 35 -4.207 7.257 -5.313 265 1HB ASN 35 1HB ASN 35 -6.840 6.802 -6.721 266 2HB ASN 35 2HB ASN 35 -6.592 7.316 -5.054 267 1HD2 ASN 35 1HD2 ASN 35 -7.144 8.304 -8.207 268 2HD2 ASN 35 2HD2 ASN 35 -6.859 9.996 -8.001 269 H GLY 36 H GLY 36 -5.749 5.498 -4.142 270 1HA GLY 36 1HA GLY 36 -4.470 3.018 -4.648 271 2HA GLY 36 2HA GLY 36 -5.777 3.283 -3.511 272 H ASN 37 H ASN 37 -6.897 4.380 -6.454 273 HA ASN 37 HA ASN 37 -8.468 1.995 -6.793 274 1HB ASN 37 1HB ASN 37 -9.128 4.567 -7.159 275 2HB ASN 37 2HB ASN 37 -8.630 4.181 -8.803 276 1HD2 ASN 37 1HD2 ASN 37 -10.383 2.370 -6.287 277 2HD2 ASN 37 2HD2 ASN 37 -11.753 2.001 -7.270 278 H GLU 38 H GLU 38 -5.961 3.770 -8.559 279 HA GLU 38 HA GLU 38 -5.885 2.331 -10.918 280 1HB GLU 38 1HB GLU 38 -4.188 4.131 -9.510 281 2HB GLU 38 2HB GLU 38 -3.204 2.795 -10.082 282 1HG GLU 38 1HG GLU 38 -5.093 4.226 -11.909 283 2HG GLU 38 2HG GLU 38 -3.471 4.838 -11.590 284 H VAL 39 H VAL 39 -3.987 1.641 -7.957 285 HA VAL 39 HA VAL 39 -2.641 -0.613 -8.690 286 HB VAL 39 HB VAL 39 -4.055 -0.356 -6.032 287 1HG1 VAL 39 1HG1 VAL 39 -2.458 -1.837 -5.169 288 2HG1 VAL 39 2HG1 VAL 39 -1.414 -1.666 -6.579 289 3HG1 VAL 39 3HG1 VAL 39 -2.935 -2.546 -6.711 290 1HG2 VAL 39 1HG2 VAL 39 -2.826 1.681 -6.482 291 2HG2 VAL 39 2HG2 VAL 39 -1.385 0.751 -6.886 292 3HG2 VAL 39 3HG2 VAL 39 -2.009 0.740 -5.237 293 H LEU 40 H LEU 40 -6.031 -0.332 -7.899 294 HA LEU 40 HA LEU 40 -6.657 -3.065 -7.701 295 1HB LEU 40 1HB LEU 40 -8.548 -1.012 -8.812 296 2HB LEU 40 2HB LEU 40 -8.922 -2.434 -7.857 297 HG LEU 40 HG LEU 40 -7.517 0.031 -6.818 298 1HD1 LEU 40 1HD1 LEU 40 -10.333 -0.922 -6.334 299 2HD1 LEU 40 2HD1 LEU 40 -9.881 0.405 -7.400 300 3HD1 LEU 40 3HD1 LEU 40 -9.574 0.525 -5.669 301 1HD2 LEU 40 1HD2 LEU 40 -8.083 -1.058 -4.602 302 2HD2 LEU 40 2HD2 LEU 40 -6.783 -1.805 -5.532 303 3HD2 LEU 40 3HD2 LEU 40 -8.389 -2.535 -5.516 304 H ALA 41 H ALA 41 -6.861 -0.834 -10.467 305 HA ALA 41 HA ALA 41 -7.759 -2.706 -12.348 306 1HB ALA 41 1HB ALA 41 -7.695 -0.178 -12.564 307 2HB ALA 41 2HB ALA 41 -7.259 -1.104 -14.001 308 3HB ALA 41 3HB ALA 41 -5.998 -0.368 -13.009 309 H ALA 42 H ALA 42 -4.516 -1.603 -11.573 310 HA ALA 42 HA ALA 42 -3.157 -3.238 -13.429 311 1HB ALA 42 1HB ALA 42 -1.677 -2.574 -10.989 312 2HB ALA 42 2HB ALA 42 -2.429 -1.190 -11.783 313 3HB ALA 42 3HB ALA 42 -1.306 -2.215 -12.675 314 H LEU 43 H LEU 43 -4.294 -3.704 -10.174 315 HA LEU 43 HA LEU 43 -2.846 -6.044 -9.567 316 1HB LEU 43 1HB LEU 43 -5.224 -4.645 -8.471 317 2HB LEU 43 2HB LEU 43 -5.009 -6.325 -8.033 318 HG LEU 43 HG LEU 43 -2.880 -4.250 -7.608 319 1HD1 LEU 43 1HD1 LEU 43 -4.650 -5.327 -5.442 320 2HD1 LEU 43 2HD1 LEU 43 -5.130 -3.907 -6.373 321 3HD1 LEU 43 3HD1 LEU 43 -3.635 -3.884 -5.439 322 1HD2 LEU 43 1HD2 LEU 43 -1.741 -6.185 -7.382 323 2HD2 LEU 43 2HD2 LEU 43 -3.200 -7.132 -7.092 324 3HD2 LEU 43 3HD2 LEU 43 -2.486 -6.189 -5.783 325 H ALA 44 H ALA 44 -5.643 -5.452 -11.476 326 HA ALA 44 HA ALA 44 -6.884 -7.960 -11.359 327 1HB ALA 44 1HB ALA 44 -7.345 -5.563 -12.664 328 2HB ALA 44 2HB ALA 44 -8.341 -7.015 -12.749 329 3HB ALA 44 3HB ALA 44 -7.101 -6.724 -13.969 330 H SER 45 H SER 45 -3.932 -7.027 -12.822 331 HA SER 45 HA SER 45 -3.879 -9.528 -14.330 332 1HB SER 45 1HB SER 45 -3.401 -6.905 -15.237 333 2HB SER 45 2HB SER 45 -1.834 -7.711 -15.209 334 HG SER 45 HG SER 45 -2.434 -8.879 -16.846 335 H LYS 46 H LYS 46 -2.618 -7.977 -11.650 336 HA LYS 46 HA LYS 46 -0.661 -10.032 -11.276 337 1HB LYS 46 1HB LYS 46 0.283 -7.850 -12.596 338 2HB LYS 46 2HB LYS 46 0.561 -7.377 -10.928 339 1HG LYS 46 1HG LYS 46 1.478 -10.000 -11.091 340 2HG LYS 46 2HG LYS 46 2.027 -9.218 -12.576 341 1HD LYS 46 1HD LYS 46 2.456 -7.368 -10.497 342 2HD LYS 46 2HD LYS 46 3.022 -8.931 -9.898 343 1HE LYS 46 1HE LYS 46 4.773 -8.967 -11.301 344 2HE LYS 46 2HE LYS 46 3.819 -8.364 -12.654 345 1HZ LYS 46 1HZ LYS 46 3.964 -6.128 -11.514 346 2HZ LYS 46 2HZ LYS 46 5.394 -6.712 -12.205 347 3HZ LYS 46 3HZ LYS 46 5.165 -6.802 -10.531 348 H THR 47 H THR 47 0.281 -9.954 -9.104 349 HA THR 47 HA THR 47 -1.086 -8.179 -7.259 350 HB THR 47 HB THR 47 -1.005 -11.180 -6.960 351 HG1 THR 47 HG1 THR 47 -3.009 -11.119 -7.574 352 1HG2 THR 47 1HG2 THR 47 -0.686 -9.979 -4.798 353 2HG2 THR 47 2HG2 THR 47 -2.154 -10.955 -4.889 354 3HG2 THR 47 3HG2 THR 47 -2.248 -9.203 -5.067 355 HA PRO 48 HA PRO 48 3.194 -8.211 -5.902 356 1HB PRO 48 1HB PRO 48 3.119 -5.938 -4.487 357 2HB PRO 48 2HB PRO 48 3.098 -5.912 -6.255 358 1HG PRO 48 1HG PRO 48 0.835 -5.613 -4.321 359 2HG PRO 48 2HG PRO 48 1.164 -4.703 -5.806 360 1HD PRO 48 1HD PRO 48 -0.621 -6.781 -5.636 361 2HD PRO 48 2HD PRO 48 0.195 -6.291 -7.134 362 H ASP 49 H ASP 49 4.261 -8.262 -3.739 363 HA ASP 49 HA ASP 49 2.658 -9.767 -1.913 364 1HB ASP 49 1HB ASP 49 4.682 -9.961 -0.581 365 2HB ASP 49 2HB ASP 49 5.045 -10.262 -2.272 366 H VAL 50 H VAL 50 4.453 -6.717 -1.595 367 HA VAL 50 HA VAL 50 2.635 -5.950 0.574 368 HB VAL 50 HB VAL 50 4.974 -5.852 1.183 369 1HG1 VAL 50 1HG1 VAL 50 5.280 -4.748 -1.451 370 2HG1 VAL 50 2HG1 VAL 50 6.499 -5.394 -0.354 371 3HG1 VAL 50 3HG1 VAL 50 6.027 -3.698 -0.246 372 1HG2 VAL 50 1HG2 VAL 50 4.298 -2.973 0.854 373 2HG2 VAL 50 2HG2 VAL 50 4.906 -3.841 2.265 374 3HG2 VAL 50 3HG2 VAL 50 3.218 -4.003 1.793 375 H LEU 51 H LEU 51 1.929 -3.617 0.609 376 HA LEU 51 HA LEU 51 1.879 -2.276 -1.969 377 1HB LEU 51 1HB LEU 51 0.024 -3.910 -2.065 378 2HB LEU 51 2HB LEU 51 -0.665 -3.196 -0.622 379 HG LEU 51 HG LEU 51 -0.922 -1.049 -1.890 380 1HD1 LEU 51 1HD1 LEU 51 -0.589 -0.930 -4.198 381 2HD1 LEU 51 2HD1 LEU 51 -0.451 -2.684 -4.362 382 3HD1 LEU 51 3HD1 LEU 51 0.845 -1.764 -3.597 383 1HD2 LEU 51 1HD2 LEU 51 -2.988 -1.659 -2.644 384 2HD2 LEU 51 2HD2 LEU 51 -2.609 -3.088 -1.685 385 3HD2 LEU 51 3HD2 LEU 51 -2.394 -3.121 -3.434 386 H LEU 52 H LEU 52 1.151 -0.117 -1.879 387 HA LEU 52 HA LEU 52 0.646 1.017 0.778 388 1HB LEU 52 1HB LEU 52 3.069 1.251 -0.681 389 2HB LEU 52 2HB LEU 52 2.284 2.817 -0.733 390 HG LEU 52 HG LEU 52 2.706 1.362 1.858 391 1HD1 LEU 52 1HD1 LEU 52 4.810 2.328 2.155 392 2HD1 LEU 52 2HD1 LEU 52 4.606 3.408 0.775 393 3HD1 LEU 52 3HD1 LEU 52 4.848 1.680 0.515 394 1HD2 LEU 52 1HD2 LEU 52 1.429 3.757 1.122 395 2HD2 LEU 52 2HD2 LEU 52 2.916 4.211 1.955 396 3HD2 LEU 52 3HD2 LEU 52 1.746 3.154 2.747 397 H SER 53 H SER 53 -1.185 2.240 0.677 398 HA SER 53 HA SER 53 -1.966 3.312 -1.946 399 1HB SER 53 1HB SER 53 -3.686 2.664 0.435 400 2HB SER 53 2HB SER 53 -4.272 3.310 -1.095 401 HG SER 53 HG SER 53 -4.509 1.162 -1.310 402 H ASP 54 H ASP 54 -2.423 5.395 -2.298 403 HA ASP 54 HA ASP 54 -1.453 7.380 -0.533 404 1HB ASP 54 1HB ASP 54 -1.656 7.529 -3.077 405 2HB ASP 54 2HB ASP 54 -3.354 7.900 -2.811 406 H ILE 55 H ILE 55 -4.494 5.837 -0.804 407 HA ILE 55 HA ILE 55 -6.536 6.192 0.114 408 HB ILE 55 HB ILE 55 -5.154 5.583 2.047 409 1HG1 ILE 55 1HG1 ILE 55 -7.645 6.045 2.167 410 2HG1 ILE 55 2HG1 ILE 55 -6.774 6.019 3.685 411 1HG2 ILE 55 1HG2 ILE 55 -3.622 7.058 2.701 412 2HG2 ILE 55 2HG2 ILE 55 -4.936 7.780 3.627 413 3HG2 ILE 55 3HG2 ILE 55 -4.520 8.426 2.050 414 1HD1 ILE 55 1HD1 ILE 55 -6.656 8.571 3.417 415 2HD1 ILE 55 2HD1 ILE 55 -8.190 7.838 3.884 416 3HD1 ILE 55 3HD1 ILE 55 -7.931 8.352 2.218 417 H ARG 56 H ARG 56 -7.133 7.804 -1.467 418 HA ARG 56 HA ARG 56 -8.406 10.024 -0.457 419 1HB ARG 56 1HB ARG 56 -6.143 10.892 0.052 420 2HB ARG 56 2HB ARG 56 -5.736 10.796 -1.655 421 1HG ARG 56 1HG ARG 56 -6.813 12.699 -2.146 422 2HG ARG 56 2HG ARG 56 -8.154 12.345 -1.055 423 1HD ARG 56 1HD ARG 56 -7.318 13.783 0.417 424 2HD ARG 56 2HD ARG 56 -5.865 12.793 0.544 425 HE ARG 56 HE ARG 56 -5.993 14.681 -1.671 426 1HH1 ARG 56 1HH1 ARG 56 -4.759 13.928 1.507 427 2HH1 ARG 56 2HH1 ARG 56 -3.512 15.125 1.444 428 1HH2 ARG 56 1HH2 ARG 56 -4.344 16.248 -1.756 429 2HH2 ARG 56 2HH2 ARG 56 -3.274 16.440 -0.408 430 H MET 57 H MET 57 -9.894 9.140 -2.014 431 HA MET 57 HA MET 57 -9.739 10.459 -4.531 432 1HB MET 57 1HB MET 57 -8.287 8.648 -5.120 433 2HB MET 57 2HB MET 57 -9.426 7.460 -4.524 434 1HG MET 57 1HG MET 57 -10.634 9.168 -6.511 435 2HG MET 57 2HG MET 57 -9.174 8.396 -7.124 436 1HE MET 57 1HE MET 57 -10.416 7.570 -8.849 437 2HE MET 57 2HE MET 57 -11.742 6.407 -8.825 438 3HE MET 57 3HE MET 57 -10.076 5.850 -8.668 439 HA PRO 58 HA PRO 58 -13.979 8.270 -4.543 440 1HB PRO 58 1HB PRO 58 -14.507 6.167 -2.975 441 2HB PRO 58 2HB PRO 58 -13.604 5.985 -4.486 442 1HG PRO 58 1HG PRO 58 -12.560 6.210 -1.679 443 2HG PRO 58 2HG PRO 58 -12.126 5.033 -2.933 444 1HD PRO 58 1HD PRO 58 -10.618 7.223 -2.424 445 2HD PRO 58 2HD PRO 58 -10.779 6.531 -4.049 446 H GLY 59 H GLY 59 -15.843 7.513 -2.775 447 1HA GLY 59 1HA GLY 59 -16.360 9.800 -1.255 448 2HA GLY 59 2HA GLY 59 -17.193 8.263 -1.084 449 H MET 60 H MET 60 -15.309 6.576 -0.107 450 HA MET 60 HA MET 60 -15.049 7.486 2.599 451 1HB MET 60 1HB MET 60 -15.353 5.040 1.545 452 2HB MET 60 2HB MET 60 -13.601 5.051 1.698 453 1HG MET 60 1HG MET 60 -13.880 4.395 3.790 454 2HG MET 60 2HG MET 60 -14.486 6.012 4.133 455 1HE MET 60 1HE MET 60 -14.874 3.669 5.747 456 2HE MET 60 2HE MET 60 -15.731 2.337 4.973 457 3HE MET 60 3HE MET 60 -16.583 3.407 6.088 458 H ASP 61 H ASP 61 -13.681 9.230 1.043 459 HA ASP 61 HA ASP 61 -11.722 10.319 0.752 460 1HB ASP 61 1HB ASP 61 -11.611 9.105 3.381 461 2HB ASP 61 2HB ASP 61 -10.000 9.219 2.678 462 H GLY 62 H GLY 62 -10.288 7.370 2.014 463 1HA GLY 62 1HA GLY 62 -9.417 6.620 -0.675 464 2HA GLY 62 2HA GLY 62 -8.192 6.912 0.544 465 H LEU 63 H LEU 63 -9.811 5.818 2.716 466 HA LEU 63 HA LEU 63 -8.909 3.217 2.773 467 1HB LEU 63 1HB LEU 63 -11.481 4.014 4.114 468 2HB LEU 63 2HB LEU 63 -10.290 2.851 4.660 469 HG LEU 63 HG LEU 63 -8.764 5.055 4.738 470 1HD1 LEU 63 1HD1 LEU 63 -10.999 6.268 3.982 471 2HD1 LEU 63 2HD1 LEU 63 -9.847 7.023 5.081 472 3HD1 LEU 63 3HD1 LEU 63 -11.291 6.240 5.717 473 1HD2 LEU 63 1HD2 LEU 63 -10.680 3.985 6.791 474 2HD2 LEU 63 2HD2 LEU 63 -9.552 5.295 7.158 475 3HD2 LEU 63 3HD2 LEU 63 -8.942 3.721 6.659 476 H ALA 64 H ALA 64 -11.685 4.573 1.187 477 HA ALA 64 HA ALA 64 -13.278 2.322 0.783 478 1HB ALA 64 1HB ALA 64 -13.126 4.979 -0.212 479 2HB ALA 64 2HB ALA 64 -14.477 3.848 -0.312 480 3HB ALA 64 3HB ALA 64 -13.270 3.892 -1.596 481 H LEU 65 H LEU 65 -10.276 3.313 -0.682 482 HA LEU 65 HA LEU 65 -10.261 1.653 -2.945 483 1HB LEU 65 1HB LEU 65 -8.088 2.862 -1.253 484 2HB LEU 65 2HB LEU 65 -7.697 1.798 -2.589 485 HG LEU 65 HG LEU 65 -7.486 3.922 -3.506 486 1HD1 LEU 65 1HD1 LEU 65 -9.005 2.388 -4.792 487 2HD1 LEU 65 2HD1 LEU 65 -9.144 4.106 -5.168 488 3HD1 LEU 65 3HD1 LEU 65 -10.353 3.326 -4.148 489 1HD2 LEU 65 1HD2 LEU 65 -9.083 5.740 -3.179 490 2HD2 LEU 65 2HD2 LEU 65 -8.395 5.184 -1.656 491 3HD2 LEU 65 3HD2 LEU 65 -10.030 4.707 -2.110 492 H LEU 66 H LEU 66 -8.953 1.159 0.315 493 HA LEU 66 HA LEU 66 -7.860 -1.346 0.049 494 1HB LEU 66 1HB LEU 66 -9.268 -0.030 2.355 495 2HB LEU 66 2HB LEU 66 -8.549 -1.625 2.504 496 HG LEU 66 HG LEU 66 -7.066 0.895 1.756 497 1HD1 LEU 66 1HD1 LEU 66 -7.940 0.502 4.180 498 2HD1 LEU 66 2HD1 LEU 66 -6.285 1.037 3.906 499 3HD1 LEU 66 3HD1 LEU 66 -6.612 -0.655 4.259 500 1HD2 LEU 66 1HD2 LEU 66 -5.698 -0.618 0.800 501 2HD2 LEU 66 2HD2 LEU 66 -6.366 -1.965 1.722 502 3HD2 LEU 66 3HD2 LEU 66 -5.178 -0.893 2.462 503 H LYS 67 H LYS 67 -11.254 -0.549 0.785 504 HA LYS 67 HA LYS 67 -12.260 -3.085 1.173 505 1HB LYS 67 1HB LYS 67 -13.721 -1.004 -0.446 506 2HB LYS 67 2HB LYS 67 -14.411 -2.257 0.576 507 1HG LYS 67 1HG LYS 67 -12.809 -0.786 2.294 508 2HG LYS 67 2HG LYS 67 -13.557 0.421 1.246 509 1HD LYS 67 1HD LYS 67 -15.248 -1.745 2.415 510 2HD LYS 67 2HD LYS 67 -14.767 -0.384 3.430 511 1HE LYS 67 1HE LYS 67 -16.785 0.339 2.558 512 2HE LYS 67 2HE LYS 67 -15.616 1.066 1.455 513 1HZ LYS 67 1HZ LYS 67 -15.984 -1.046 0.079 514 2HZ LYS 67 2HZ LYS 67 -17.191 0.138 0.055 515 3HZ LYS 67 3HZ LYS 67 -17.387 -1.250 1.002 516 H GLN 68 H GLN 68 -11.778 -1.369 -1.901 517 HA GLN 68 HA GLN 68 -12.770 -3.411 -3.570 518 1HB GLN 68 1HB GLN 68 -10.635 -1.386 -4.255 519 2HB GLN 68 2HB GLN 68 -11.661 -2.256 -5.386 520 1HG GLN 68 1HG GLN 68 -12.626 -0.263 -3.350 521 2HG GLN 68 2HG GLN 68 -12.357 0.071 -5.063 522 1HE2 GLN 68 1HE2 GLN 68 -14.546 -0.998 -2.738 523 2HE2 GLN 68 2HE2 GLN 68 -15.793 -1.549 -3.799 524 H ILE 69 H ILE 69 -9.576 -2.746 -2.258 525 HA ILE 69 HA ILE 69 -8.118 -4.609 -3.746 526 HB ILE 69 HB ILE 69 -7.582 -3.646 -0.942 527 1HG1 ILE 69 1HG1 ILE 69 -6.493 -2.606 -3.562 528 2HG1 ILE 69 2HG1 ILE 69 -7.820 -1.858 -2.679 529 1HG2 ILE 69 1HG2 ILE 69 -6.259 -5.612 -2.494 530 2HG2 ILE 69 2HG2 ILE 69 -5.788 -4.951 -0.928 531 3HG2 ILE 69 3HG2 ILE 69 -5.214 -4.195 -2.413 532 1HD1 ILE 69 1HD1 ILE 69 -6.400 -0.750 -1.400 533 2HD1 ILE 69 2HD1 ILE 69 -5.085 -1.378 -2.394 534 3HD1 ILE 69 3HD1 ILE 69 -5.579 -2.241 -0.938 535 H LYS 70 H LYS 70 -9.855 -4.947 -0.714 536 HA LYS 70 HA LYS 70 -9.024 -7.620 -0.231 537 1HB LYS 70 1HB LYS 70 -10.699 -7.637 1.535 538 2HB LYS 70 2HB LYS 70 -9.785 -6.135 1.573 539 1HG LYS 70 1HG LYS 70 -11.558 -4.875 0.827 540 2HG LYS 70 2HG LYS 70 -12.371 -6.257 0.094 541 1HD LYS 70 1HD LYS 70 -12.929 -7.124 2.293 542 2HD LYS 70 2HD LYS 70 -12.044 -5.803 3.060 543 1HE LYS 70 1HE LYS 70 -13.586 -4.185 2.141 544 2HE LYS 70 2HE LYS 70 -14.427 -5.448 1.245 545 1HZ LYS 70 1HZ LYS 70 -14.616 -6.404 3.713 546 2HZ LYS 70 2HZ LYS 70 -15.773 -5.377 3.032 547 3HZ LYS 70 3HZ LYS 70 -14.588 -4.746 4.060 548 H GLN 71 H GLN 71 -11.437 -6.200 -2.207 549 HA GLN 71 HA GLN 71 -13.175 -8.448 -2.320 550 1HB GLN 71 1HB GLN 71 -14.387 -6.643 -2.945 551 2HB GLN 71 2HB GLN 71 -12.985 -5.792 -3.560 552 1HG GLN 71 1HG GLN 71 -13.385 -7.810 -5.414 553 2HG GLN 71 2HG GLN 71 -15.014 -7.312 -4.965 554 1HE2 GLN 71 1HE2 GLN 71 -12.055 -5.394 -5.121 555 2HE2 GLN 71 2HE2 GLN 71 -12.620 -4.295 -6.327 556 H ARG 72 H ARG 72 -10.371 -7.393 -4.064 557 HA ARG 72 HA ARG 72 -10.617 -9.677 -5.896 558 1HB ARG 72 1HB ARG 72 -8.996 -7.141 -6.080 559 2HB ARG 72 2HB ARG 72 -8.788 -8.497 -7.181 560 1HG ARG 72 1HG ARG 72 -11.558 -7.616 -6.914 561 2HG ARG 72 2HG ARG 72 -10.472 -6.387 -7.565 562 1HD ARG 72 1HD ARG 72 -9.644 -8.421 -9.041 563 2HD ARG 72 2HD ARG 72 -11.268 -9.020 -8.695 564 HE ARG 72 HE ARG 72 -10.574 -6.940 -10.496 565 1HH1 ARG 72 1HH1 ARG 72 -13.034 -7.929 -8.229 566 2HH1 ARG 72 2HH1 ARG 72 -14.292 -7.032 -9.011 567 1HH2 ARG 72 1HH2 ARG 72 -12.225 -5.756 -11.524 568 2HH2 ARG 72 2HH2 ARG 72 -13.833 -5.796 -10.881 569 H HIS 73 H HIS 73 -8.768 -8.368 -3.311 570 HA HIS 73 HA HIS 73 -7.097 -10.762 -3.310 571 1HB HIS 73 1HB HIS 73 -5.874 -8.039 -2.857 572 2HB HIS 73 2HB HIS 73 -5.047 -9.581 -3.086 573 HD1 HIS 73 HD1 HIS 73 -5.161 -10.595 -5.540 574 HD2 HIS 73 HD2 HIS 73 -6.425 -6.659 -5.145 575 HE1 HIS 73 HE1 HIS 73 -5.302 -9.702 -7.883 576 HE2 HIS 73 HE2 HIS 73 -6.298 -7.407 -7.621 577 HA PRO 74 HA PRO 74 -8.803 -9.913 0.861 578 1HB PRO 74 1HB PRO 74 -9.335 -12.485 1.464 579 2HB PRO 74 2HB PRO 74 -10.421 -11.504 0.473 580 1HG PRO 74 1HG PRO 74 -8.387 -13.529 -0.382 581 2HG PRO 74 2HG PRO 74 -10.043 -13.287 -0.972 582 1HD PRO 74 1HD PRO 74 -7.846 -12.359 -2.283 583 2HD PRO 74 2HD PRO 74 -9.430 -11.561 -2.358 584 H MET 75 H MET 75 -5.917 -10.778 -0.174 585 HA MET 75 HA MET 75 -4.942 -11.317 2.513 586 1HB MET 75 1HB MET 75 -4.031 -12.985 0.178 587 2HB MET 75 2HB MET 75 -3.607 -13.190 1.874 588 1HG MET 75 1HG MET 75 -5.951 -13.722 2.375 589 2HG MET 75 2HG MET 75 -6.332 -13.579 0.659 590 1HE MET 75 1HE MET 75 -6.947 -17.024 0.742 591 2HE MET 75 2HE MET 75 -6.221 -16.472 -0.768 592 3HE MET 75 3HE MET 75 -7.269 -15.394 0.152 593 H LEU 76 H LEU 76 -4.785 -9.393 -0.082 594 HA LEU 76 HA LEU 76 -1.969 -9.161 -0.450 595 1HB LEU 76 1HB LEU 76 -3.532 -8.581 -2.226 596 2HB LEU 76 2HB LEU 76 -4.208 -7.302 -1.234 597 HG LEU 76 HG LEU 76 -1.799 -6.346 -1.224 598 1HD1 LEU 76 1HD1 LEU 76 -0.407 -7.867 -2.159 599 2HD1 LEU 76 2HD1 LEU 76 -0.854 -6.981 -3.619 600 3HD1 LEU 76 3HD1 LEU 76 -1.645 -8.510 -3.237 601 1HD2 LEU 76 1HD2 LEU 76 -2.222 -5.228 -3.415 602 2HD2 LEU 76 2HD2 LEU 76 -3.589 -5.192 -2.304 603 3HD2 LEU 76 3HD2 LEU 76 -3.581 -6.327 -3.653 604 HA PRO 77 HA PRO 77 -1.453 -6.797 3.401 605 1HB PRO 77 1HB PRO 77 1.322 -6.663 2.370 606 2HB PRO 77 2HB PRO 77 0.732 -7.215 3.940 607 1HG PRO 77 1HG PRO 77 1.630 -8.941 2.100 608 2HG PRO 77 2HG PRO 77 0.276 -9.343 3.171 609 1HD PRO 77 1HD PRO 77 0.237 -8.534 0.298 610 2HD PRO 77 2HD PRO 77 -0.766 -9.713 1.149 611 H VAL 78 H VAL 78 -2.032 -4.705 3.401 612 HA VAL 78 HA VAL 78 -0.821 -2.918 1.398 613 HB VAL 78 HB VAL 78 -3.470 -2.283 2.643 614 1HG1 VAL 78 1HG1 VAL 78 -3.773 -1.026 0.566 615 2HG1 VAL 78 2HG1 VAL 78 -2.207 -1.596 -0.009 616 3HG1 VAL 78 3HG1 VAL 78 -2.298 -0.543 1.403 617 1HG2 VAL 78 1HG2 VAL 78 -2.919 -4.348 0.586 618 2HG2 VAL 78 2HG2 VAL 78 -4.288 -3.272 0.303 619 3HG2 VAL 78 3HG2 VAL 78 -4.221 -4.247 1.771 620 H ILE 79 H ILE 79 -0.344 -0.816 1.991 621 HA ILE 79 HA ILE 79 -0.337 -0.198 4.868 622 HB ILE 79 HB ILE 79 1.959 0.396 3.005 623 1HG1 ILE 79 1HG1 ILE 79 2.399 -1.557 5.155 624 2HG1 ILE 79 2HG1 ILE 79 1.325 -2.115 3.879 625 1HG2 ILE 79 1HG2 ILE 79 2.871 1.560 4.664 626 2HG2 ILE 79 2HG2 ILE 79 2.499 0.311 5.852 627 3HG2 ILE 79 3HG2 ILE 79 1.283 1.516 5.428 628 1HD1 ILE 79 1HD1 ILE 79 3.712 -2.694 3.544 629 2HD1 ILE 79 2HD1 ILE 79 4.058 -0.971 3.389 630 3HD1 ILE 79 3HD1 ILE 79 3.001 -1.767 2.222 631 H ILE 80 H ILE 80 -1.498 1.621 5.127 632 HA ILE 80 HA ILE 80 -1.805 3.435 2.868 633 HB ILE 80 HB ILE 80 -3.214 3.647 5.520 634 1HG1 ILE 80 1HG1 ILE 80 -3.623 1.401 4.743 635 2HG1 ILE 80 2HG1 ILE 80 -5.050 2.364 4.393 636 1HG2 ILE 80 1HG2 ILE 80 -4.943 4.722 4.124 637 2HG2 ILE 80 2HG2 ILE 80 -3.860 4.582 2.737 638 3HG2 ILE 80 3HG2 ILE 80 -3.406 5.582 4.111 639 1HD1 ILE 80 1HD1 ILE 80 -4.260 0.761 2.604 640 2HD1 ILE 80 2HD1 ILE 80 -2.934 1.890 2.336 641 3HD1 ILE 80 3HD1 ILE 80 -4.603 2.418 2.110 642 H MET 81 H MET 81 -1.155 5.512 2.771 643 HA MET 81 HA MET 81 0.854 6.364 4.673 644 1HB MET 81 1HB MET 81 0.898 8.399 3.011 645 2HB MET 81 2HB MET 81 1.663 6.867 2.630 646 1HG MET 81 1HG MET 81 -1.097 6.964 1.749 647 2HG MET 81 2HG MET 81 -0.116 8.252 1.060 648 1HE MET 81 1HE MET 81 2.947 6.162 0.823 649 2HE MET 81 2HE MET 81 2.316 7.769 0.460 650 3HE MET 81 3HE MET 81 2.619 6.626 -0.847 651 H THR 82 H THR 82 -2.477 6.931 4.261 652 HA THR 82 HA THR 82 -2.392 8.962 6.343 653 HB THR 82 HB THR 82 -4.097 9.495 3.915 654 HG1 THR 82 HG1 THR 82 -2.415 10.130 2.867 655 1HG2 THR 82 1HG2 THR 82 -3.154 11.854 5.098 656 2HG2 THR 82 2HG2 THR 82 -3.701 10.814 6.411 657 3HG2 THR 82 3HG2 THR 82 -4.799 11.222 5.093 658 H ALA 83 H ALA 83 -4.626 9.374 7.249 659 HA ALA 83 HA ALA 83 -6.230 6.906 7.046 660 1HB ALA 83 1HB ALA 83 -5.157 7.417 9.257 661 2HB ALA 83 2HB ALA 83 -6.907 7.197 9.298 662 3HB ALA 83 3HB ALA 83 -6.219 8.821 9.367 663 H HIS 84 H HIS 84 -6.477 10.418 7.528 664 HA HIS 84 HA HIS 84 -8.196 11.883 7.263 665 1HB HIS 84 1HB HIS 84 -8.111 10.227 4.784 666 2HB HIS 84 2HB HIS 84 -9.351 11.468 4.946 667 HD1 HIS 84 HD1 HIS 84 -7.341 13.443 6.524 668 HD2 HIS 84 HD2 HIS 84 -6.728 11.660 2.823 669 HE1 HIS 84 HE1 HIS 84 -5.638 14.875 5.364 670 HE2 HIS 84 HE2 HIS 84 -5.135 13.656 3.224 671 H SER 85 H SER 85 -9.125 10.429 9.137 672 HA SER 85 HA SER 85 -10.946 9.545 10.176 673 1HB SER 85 1HB SER 85 -11.843 11.642 8.407 674 2HB SER 85 2HB SER 85 -13.101 10.420 8.599 675 HG SER 85 HG SER 85 -11.703 11.570 10.777 676 H ASP 86 H ASP 86 -13.361 8.610 9.433 677 HA ASP 86 HA ASP 86 -14.419 6.755 8.659 678 1HB ASP 86 1HB ASP 86 -12.606 7.120 6.268 679 2HB ASP 86 2HB ASP 86 -14.072 6.148 6.309 680 H LEU 87 H LEU 87 -12.053 6.482 10.294 681 HA LEU 87 HA LEU 87 -10.202 4.598 9.610 682 1HB LEU 87 1HB LEU 87 -10.978 5.830 11.924 683 2HB LEU 87 2HB LEU 87 -11.380 4.159 12.265 684 HG LEU 87 HG LEU 87 -9.138 4.810 13.076 685 1HD1 LEU 87 1HD1 LEU 87 -8.299 2.898 11.082 686 2HD1 LEU 87 2HD1 LEU 87 -9.883 2.495 11.742 687 3HD1 LEU 87 3HD1 LEU 87 -8.505 2.700 12.821 688 1HD2 LEU 87 1HD2 LEU 87 -7.407 5.474 11.692 689 2HD2 LEU 87 2HD2 LEU 87 -8.788 6.337 11.016 690 3HD2 LEU 87 3HD2 LEU 87 -8.197 4.868 10.236 691 H ASP 88 H ASP 88 -13.583 4.113 10.062 692 HA ASP 88 HA ASP 88 -13.854 1.494 10.763 693 1HB ASP 88 1HB ASP 88 -15.424 3.349 9.062 694 2HB ASP 88 2HB ASP 88 -15.830 1.639 8.955 695 H ALA 89 H ALA 89 -13.215 2.697 7.460 696 HA ALA 89 HA ALA 89 -13.263 0.109 6.299 697 1HB ALA 89 1HB ALA 89 -12.058 1.322 4.382 698 2HB ALA 89 2HB ALA 89 -12.327 2.780 5.338 699 3HB ALA 89 3HB ALA 89 -13.700 1.820 4.791 700 H ALA 90 H ALA 90 -10.869 1.900 7.990 701 HA ALA 90 HA ALA 90 -8.549 0.664 6.935 702 1HB ALA 90 1HB ALA 90 -7.367 1.711 8.645 703 2HB ALA 90 2HB ALA 90 -8.734 1.643 9.756 704 3HB ALA 90 3HB ALA 90 -8.754 2.777 8.407 705 H VAL 91 H VAL 91 -10.561 -0.022 9.780 706 HA VAL 91 HA VAL 91 -9.054 -2.169 10.752 707 HB VAL 91 HB VAL 91 -12.039 -1.941 11.042 708 1HG1 VAL 91 1HG1 VAL 91 -11.169 -2.801 13.403 709 2HG1 VAL 91 2HG1 VAL 91 -9.848 -3.408 12.403 710 3HG1 VAL 91 3HG1 VAL 91 -11.508 -3.904 12.068 711 1HG2 VAL 91 1HG2 VAL 91 -11.439 0.183 11.708 712 2HG2 VAL 91 2HG2 VAL 91 -9.843 -0.326 12.262 713 3HG2 VAL 91 3HG2 VAL 91 -11.272 -0.706 13.222 714 H SER 92 H SER 92 -11.610 -2.031 8.343 715 HA SER 92 HA SER 92 -12.080 -4.786 8.092 716 1HB SER 92 1HB SER 92 -12.288 -2.601 6.004 717 2HB SER 92 2HB SER 92 -12.966 -4.219 5.842 718 HG SER 92 HG SER 92 -13.621 -2.485 7.981 719 H ALA 93 H ALA 93 -9.739 -2.641 6.550 720 HA ALA 93 HA ALA 93 -8.674 -4.364 4.668 721 1HB ALA 93 1HB ALA 93 -8.189 -1.875 5.096 722 2HB ALA 93 2HB ALA 93 -6.890 -2.893 4.474 723 3HB ALA 93 3HB ALA 93 -6.934 -2.470 6.185 724 H TYR 94 H TYR 94 -7.676 -3.877 8.008 725 HA TYR 94 HA TYR 94 -5.536 -5.617 8.125 726 1HB TYR 94 1HB TYR 94 -7.555 -5.299 10.348 727 2HB TYR 94 2HB TYR 94 -5.849 -5.704 10.503 728 HD1 TYR 94 HD1 TYR 94 -7.648 -3.343 11.669 729 HD2 TYR 94 HD2 TYR 94 -4.758 -3.659 8.563 730 HE1 TYR 94 HE1 TYR 94 -7.115 -0.955 11.926 731 HE2 TYR 94 HE2 TYR 94 -4.220 -1.273 8.810 732 HH TYR 94 HH TYR 94 -6.010 0.893 10.080 733 H GLN 95 H GLN 95 -8.911 -6.299 7.962 734 HA GLN 95 HA GLN 95 -8.775 -9.010 8.825 735 1HB GLN 95 1HB GLN 95 -11.016 -8.954 8.672 736 2HB GLN 95 2HB GLN 95 -10.821 -7.240 8.347 737 1HG GLN 95 1HG GLN 95 -10.563 -8.304 5.849 738 2HG GLN 95 2HG GLN 95 -11.707 -9.411 6.594 739 1HE2 GLN 95 1HE2 GLN 95 -11.535 -6.836 4.700 740 2HE2 GLN 95 2HE2 GLN 95 -13.009 -6.031 5.104 741 H GLN 96 H GLN 96 -8.607 -7.406 5.687 742 HA GLN 96 HA GLN 96 -8.483 -9.865 4.225 743 1HB GLN 96 1HB GLN 96 -8.101 -8.505 2.272 744 2HB GLN 96 2HB GLN 96 -9.386 -7.782 3.235 745 1HG GLN 96 1HG GLN 96 -8.145 -5.959 3.782 746 2HG GLN 96 2HG GLN 96 -6.617 -6.832 3.711 747 1HE2 GLN 96 1HE2 GLN 96 -8.285 -4.450 2.309 748 2HE2 GLN 96 2HE2 GLN 96 -7.648 -4.521 0.706 749 H GLY 97 H GLY 97 -6.224 -7.945 5.940 750 1HA GLY 97 1HA GLY 97 -4.108 -9.270 6.307 751 2HA GLY 97 2HA GLY 97 -4.005 -9.314 4.555 752 H ALA 98 H ALA 98 -5.239 -6.332 5.459 753 HA ALA 98 HA ALA 98 -3.090 -4.866 4.524 754 1HB ALA 98 1HB ALA 98 -4.250 -2.983 5.105 755 2HB ALA 98 2HB ALA 98 -4.796 -3.659 6.639 756 3HB ALA 98 3HB ALA 98 -5.550 -4.174 5.131 757 H PHE 99 H PHE 99 -1.197 -4.157 5.361 758 HA PHE 99 HA PHE 99 -0.200 -5.322 7.717 759 1HB PHE 99 1HB PHE 99 1.206 -4.569 5.799 760 2HB PHE 99 2HB PHE 99 0.915 -2.903 6.290 761 HD1 PHE 99 HD1 PHE 99 1.505 -5.770 8.557 762 HD2 PHE 99 HD2 PHE 99 3.108 -2.235 6.812 763 HE1 PHE 99 HE1 PHE 99 3.429 -5.889 10.088 764 HE2 PHE 99 HE2 PHE 99 5.037 -2.353 8.334 765 HZ PHE 99 HZ PHE 99 5.198 -4.180 9.977 766 H ASP 100 H ASP 100 -1.073 -1.909 7.056 767 HA ASP 100 HA ASP 100 -2.322 -1.453 9.500 768 1HB ASP 100 1HB ASP 100 0.328 -1.846 10.018 769 2HB ASP 100 2HB ASP 100 0.281 -0.099 9.817 770 H TYR 101 H TYR 101 -1.446 1.151 10.121 771 HA TYR 101 HA TYR 101 -1.851 2.645 7.624 772 1HB TYR 101 1HB TYR 101 -3.584 2.587 10.023 773 2HB TYR 101 2HB TYR 101 -3.212 4.195 9.407 774 HD1 TYR 101 HD1 TYR 101 -4.560 0.883 8.363 775 HD2 TYR 101 HD2 TYR 101 -4.369 5.062 7.592 776 HE1 TYR 101 HE1 TYR 101 -6.275 0.635 6.622 777 HE2 TYR 101 HE2 TYR 101 -6.089 4.825 5.856 778 HH TYR 101 HH TYR 101 -8.106 2.753 5.512 779 H LEU 102 H LEU 102 -0.633 4.456 7.440 780 HA LEU 102 HA LEU 102 0.880 5.316 9.813 781 1HB LEU 102 1HB LEU 102 2.876 5.465 8.607 782 2HB LEU 102 2HB LEU 102 2.169 3.948 8.091 783 HG LEU 102 HG LEU 102 1.196 5.665 6.206 784 1HD1 LEU 102 1HD1 LEU 102 2.605 7.345 5.685 785 2HD1 LEU 102 2HD1 LEU 102 4.028 6.475 6.259 786 3HD1 LEU 102 3HD1 LEU 102 2.957 7.269 7.412 787 1HD2 LEU 102 1HD2 LEU 102 3.880 4.430 5.780 788 2HD2 LEU 102 2HD2 LEU 102 2.475 4.468 4.713 789 3HD2 LEU 102 3HD2 LEU 102 2.490 3.393 6.111 790 HA PRO 103 HA PRO 103 -0.828 9.344 9.094 791 1HB PRO 103 1HB PRO 103 1.870 10.276 9.950 792 2HB PRO 103 2HB PRO 103 0.277 10.749 10.549 793 1HG PRO 103 1HG PRO 103 1.838 9.117 11.964 794 2HG PRO 103 2HG PRO 103 0.082 8.876 11.901 795 1HD PRO 103 1HD PRO 103 2.258 7.361 10.536 796 2HD PRO 103 2HD PRO 103 0.704 6.784 11.172 797 H LYS 104 H LYS 104 -0.206 11.419 7.926 798 HA LYS 104 HA LYS 104 0.327 11.035 5.303 799 1HB LYS 104 1HB LYS 104 -0.422 13.180 6.411 800 2HB LYS 104 2HB LYS 104 1.273 13.510 6.740 801 1HG LYS 104 1HG LYS 104 0.382 14.648 4.718 802 2HG LYS 104 2HG LYS 104 1.783 13.622 4.411 803 1HD LYS 104 1HD LYS 104 -0.703 12.156 4.116 804 2HD LYS 104 2HD LYS 104 -0.654 13.571 3.065 805 1HE LYS 104 1HE LYS 104 1.458 12.843 2.127 806 2HE LYS 104 2HE LYS 104 1.509 11.480 3.240 807 1HZ LYS 104 1HZ LYS 104 0.745 10.903 0.958 808 2HZ LYS 104 2HZ LYS 104 -0.620 11.873 1.216 809 3HZ LYS 104 3HZ LYS 104 -0.369 10.504 2.174 810 HA PRO 105 HA PRO 105 5.137 12.017 6.093 811 1HB PRO 105 1HB PRO 105 5.820 10.535 8.399 812 2HB PRO 105 2HB PRO 105 5.836 12.293 8.231 813 1HG PRO 105 1HG PRO 105 3.760 10.530 9.423 814 2HG PRO 105 2HG PRO 105 4.231 12.178 9.871 815 1HD PRO 105 1HD PRO 105 1.958 11.698 8.549 816 2HD PRO 105 2HD PRO 105 2.934 13.137 8.196 817 H PHE 106 H PHE 106 6.829 10.345 5.737 818 HA PHE 106 HA PHE 106 6.488 7.647 5.947 819 1HB PHE 106 1HB PHE 106 5.971 7.260 3.373 820 2HB PHE 106 2HB PHE 106 4.711 7.294 4.594 821 HD1 PHE 106 HD1 PHE 106 3.055 7.767 2.973 822 HD2 PHE 106 HD2 PHE 106 6.338 10.405 3.524 823 HE1 PHE 106 HE1 PHE 106 1.871 9.505 1.680 824 HE2 PHE 106 HE2 PHE 106 5.169 12.149 2.242 825 HZ PHE 106 HZ PHE 106 2.931 11.700 1.317 826 H ASP 107 H ASP 107 7.184 8.929 2.730 827 HA ASP 107 HA ASP 107 9.088 8.829 1.505 828 1HB ASP 107 1HB ASP 107 11.007 9.991 2.387 829 2HB ASP 107 2HB ASP 107 9.563 10.827 2.940 830 H ILE 108 H ILE 108 11.574 7.981 1.770 831 HA ILE 108 HA ILE 108 11.305 5.260 1.973 832 HB ILE 108 HB ILE 108 13.608 7.079 1.842 833 1HG1 ILE 108 1HG1 ILE 108 14.012 5.989 -0.227 834 2HG1 ILE 108 2HG1 ILE 108 12.971 4.638 0.215 835 1HG2 ILE 108 1HG2 ILE 108 14.925 5.770 3.096 836 2HG2 ILE 108 2HG2 ILE 108 14.915 4.706 1.692 837 3HG2 ILE 108 3HG2 ILE 108 13.807 4.410 3.027 838 1HD1 ILE 108 1HD1 ILE 108 11.022 6.038 0.081 839 2HD1 ILE 108 2HD1 ILE 108 11.942 6.167 -1.412 840 3HD1 ILE 108 3HD1 ILE 108 12.019 7.460 -0.220 841 H ASP 109 H ASP 109 12.673 7.403 4.382 842 HA ASP 109 HA ASP 109 13.434 5.514 6.219 843 1HB ASP 109 1HB ASP 109 13.637 8.118 6.256 844 2HB ASP 109 2HB ASP 109 12.130 8.045 7.165 845 H GLU 110 H GLU 110 10.273 7.211 6.288 846 HA GLU 110 HA GLU 110 9.281 5.357 8.210 847 1HB GLU 110 1HB GLU 110 7.744 7.489 6.766 848 2HB GLU 110 2HB GLU 110 7.272 6.682 8.243 849 1HG GLU 110 1HG GLU 110 9.796 8.267 8.127 850 2HG GLU 110 2HG GLU 110 8.234 9.081 8.297 851 H ALA 111 H ALA 111 9.004 5.665 4.726 852 HA ALA 111 HA ALA 111 6.738 3.883 4.673 853 1HB ALA 111 1HB ALA 111 6.629 5.495 2.978 854 2HB ALA 111 2HB ALA 111 7.075 3.997 2.158 855 3HB ALA 111 3HB ALA 111 8.302 5.214 2.486 856 H VAL 112 H VAL 112 10.175 3.723 3.729 857 HA VAL 112 HA VAL 112 10.089 1.028 2.908 858 HB VAL 112 HB VAL 112 12.461 2.476 4.093 859 1HG1 VAL 112 1HG1 VAL 112 12.993 0.459 2.080 860 2HG1 VAL 112 2HG1 VAL 112 12.137 -0.210 3.470 861 3HG1 VAL 112 3HG1 VAL 112 13.666 0.641 3.700 862 1HG2 VAL 112 1HG2 VAL 112 12.365 3.748 2.274 863 2HG2 VAL 112 2HG2 VAL 112 11.094 2.770 1.553 864 3HG2 VAL 112 3HG2 VAL 112 12.785 2.315 1.344 865 H ALA 113 H ALA 113 10.382 2.594 5.984 866 HA ALA 113 HA ALA 113 11.249 0.437 7.556 867 1HB ALA 113 1HB ALA 113 11.024 1.916 9.225 868 2HB ALA 113 2HB ALA 113 9.316 2.172 8.861 869 3HB ALA 113 3HB ALA 113 10.546 3.071 7.981 870 H LEU 114 H LEU 114 8.022 1.646 6.818 871 HA LEU 114 HA LEU 114 6.674 -0.455 8.166 872 1HB LEU 114 1HB LEU 114 5.946 2.006 7.539 873 2HB LEU 114 2HB LEU 114 5.319 1.211 6.109 874 HG LEU 114 HG LEU 114 3.822 -0.133 7.412 875 1HD1 LEU 114 1HD1 LEU 114 3.967 0.748 10.024 876 2HD1 LEU 114 2HD1 LEU 114 5.654 0.522 9.564 877 3HD1 LEU 114 3HD1 LEU 114 4.513 -0.813 9.415 878 1HD2 LEU 114 1HD2 LEU 114 2.487 1.643 7.307 879 2HD2 LEU 114 2HD2 LEU 114 3.830 2.752 7.574 880 3HD2 LEU 114 3HD2 LEU 114 2.995 2.031 8.948 881 H VAL 115 H VAL 115 7.949 -0.136 4.971 882 HA VAL 115 HA VAL 115 6.131 -2.037 3.823 883 HB VAL 115 HB VAL 115 7.325 -0.208 2.514 884 1HG1 VAL 115 1HG1 VAL 115 9.601 -0.871 3.399 885 2HG1 VAL 115 2HG1 VAL 115 9.490 -0.591 1.668 886 3HG1 VAL 115 3HG1 VAL 115 9.528 -2.238 2.294 887 1HG2 VAL 115 1HG2 VAL 115 6.679 -1.308 0.682 888 2HG2 VAL 115 2HG2 VAL 115 6.252 -2.618 1.779 889 3HG2 VAL 115 3HG2 VAL 115 7.814 -2.628 0.965 890 H GLU 116 H GLU 116 9.561 -2.145 4.747 891 HA GLU 116 HA GLU 116 9.934 -4.852 4.053 892 1HB GLU 116 1HB GLU 116 11.414 -2.989 5.897 893 2HB GLU 116 2HB GLU 116 11.920 -4.655 5.647 894 1HG GLU 116 1HG GLU 116 11.926 -4.087 3.153 895 2HG GLU 116 2HG GLU 116 11.853 -2.403 3.673 896 H ARG 117 H ARG 117 9.111 -3.268 7.112 897 HA ARG 117 HA ARG 117 9.103 -5.594 8.691 898 1HB ARG 117 1HB ARG 117 7.559 -3.016 9.032 899 2HB ARG 117 2HB ARG 117 7.704 -4.263 10.263 900 1HG ARG 117 1HG ARG 117 10.267 -3.337 9.198 901 2HG ARG 117 2HG ARG 117 9.328 -2.092 10.023 902 1HD ARG 117 1HD ARG 117 9.098 -3.610 11.963 903 2HD ARG 117 2HD ARG 117 10.133 -4.773 11.141 904 HE ARG 117 HE ARG 117 11.025 -2.079 11.951 905 1HH1 ARG 117 1HH1 ARG 117 11.637 -5.504 11.541 906 2HH1 ARG 117 2HH1 ARG 117 13.267 -5.397 12.111 907 1HH2 ARG 117 1HH2 ARG 117 13.166 -1.958 12.695 908 2HH2 ARG 117 2HH2 ARG 117 14.134 -3.392 12.763 909 H ALA 118 H ALA 118 6.871 -4.342 6.393 910 HA ALA 118 HA ALA 118 4.554 -5.723 7.301 911 1HB ALA 118 1HB ALA 118 4.756 -3.679 5.698 912 2HB ALA 118 2HB ALA 118 3.469 -4.857 5.459 913 3HB ALA 118 3HB ALA 118 4.916 -4.914 4.452 914 H ILE 119 H ILE 119 6.887 -6.288 4.688 915 HA ILE 119 HA ILE 119 5.750 -8.719 3.819 916 HB ILE 119 HB ILE 119 8.640 -7.951 3.499 917 1HG1 ILE 119 1HG1 ILE 119 6.707 -7.212 1.383 918 2HG1 ILE 119 2HG1 ILE 119 6.646 -6.238 2.844 919 1HG2 ILE 119 1HG2 ILE 119 8.237 -10.143 2.710 920 2HG2 ILE 119 2HG2 ILE 119 8.275 -9.107 1.282 921 3HG2 ILE 119 3HG2 ILE 119 6.730 -9.663 1.928 922 1HD1 ILE 119 1HD1 ILE 119 8.938 -5.626 2.602 923 2HD1 ILE 119 2HD1 ILE 119 8.110 -5.325 1.074 924 3HD1 ILE 119 3HD1 ILE 119 9.142 -6.746 1.253 925 H SER 120 H SER 120 8.060 -7.893 6.263 926 HA SER 120 HA SER 120 9.140 -10.465 6.702 927 1HB SER 120 1HB SER 120 10.098 -8.255 7.505 928 2HB SER 120 2HB SER 120 8.875 -8.284 8.775 929 HG SER 120 HG SER 120 11.195 -9.734 8.529 930 H HIS 121 H HIS 121 6.434 -8.706 8.166 931 HA HIS 121 HA HIS 121 5.806 -10.705 10.075 932 1HB HIS 121 1HB HIS 121 4.443 -8.272 9.018 933 2HB HIS 121 2HB HIS 121 3.479 -9.444 9.912 934 HD1 HIS 121 HD1 HIS 121 6.992 -8.161 10.615 935 HD2 HIS 121 HD2 HIS 121 3.235 -8.356 12.379 936 HE1 HIS 121 HE1 HIS 121 7.286 -7.215 12.926 937 HE2 HIS 121 HE2 HIS 121 5.018 -7.420 14.004 938 H TYR 122 H TYR 122 5.046 -10.273 6.736 939 HA TYR 122 HA TYR 122 2.774 -11.947 6.596 940 1HB TYR 122 1HB TYR 122 3.591 -10.272 4.852 941 2HB TYR 122 2HB TYR 122 4.746 -11.506 4.358 942 HD1 TYR 122 HD1 TYR 122 1.104 -11.517 5.228 943 HD2 TYR 122 HD2 TYR 122 4.116 -12.535 2.401 944 HE1 TYR 122 HE1 TYR 122 -0.607 -12.523 3.776 945 HE2 TYR 122 HE2 TYR 122 2.414 -13.542 0.941 946 HH TYR 122 HH TYR 122 0.190 -14.461 1.065 947 H GLN 123 H GLN 123 6.194 -12.559 5.808 948 HA GLN 123 HA GLN 123 5.771 -15.358 5.448 949 1HB GLN 123 1HB GLN 123 7.634 -13.758 4.485 950 2HB GLN 123 2HB GLN 123 8.481 -14.207 5.959 951 1HG GLN 123 1HG GLN 123 9.105 -16.132 5.073 952 2HG GLN 123 2HG GLN 123 7.432 -16.556 4.711 953 1HE2 GLN 123 1HE2 GLN 123 9.655 -17.235 3.121 954 2HE2 GLN 123 2HE2 GLN 123 9.487 -16.439 1.597 955 H GLU 124 H GLU 124 7.639 -16.731 6.735 956 HA GLU 124 HA GLU 124 8.184 -17.739 8.697 957 1HB GLU 124 1HB GLU 124 8.007 -14.865 9.501 958 2HB GLU 124 2HB GLU 124 8.166 -16.087 10.753 959 1HG GLU 124 1HG GLU 124 10.357 -15.686 10.421 960 2HG GLU 124 2HG GLU 124 10.137 -16.887 9.150 Start of MODEL 14 1 1H MET 1 1H MET 1 13.824 -16.306 -1.833 2 2H MET 1 2H MET 1 15.513 -16.551 -2.014 3 3H MET 1 3H MET 1 14.435 -17.879 -2.125 4 HA MET 1 HA MET 1 15.093 -15.817 -4.042 5 1HB MET 1 1HB MET 1 14.701 -17.759 -5.575 6 2HB MET 1 2HB MET 1 15.945 -18.034 -4.365 7 1HG MET 1 1HG MET 1 14.844 -19.743 -3.460 8 2HG MET 1 2HG MET 1 13.308 -18.880 -3.483 9 1HE MET 1 1HE MET 1 13.277 -22.371 -4.565 10 2HE MET 1 2HE MET 1 11.761 -21.629 -5.077 11 3HE MET 1 3HE MET 1 12.518 -21.134 -3.562 12 H GLN 2 H GLN 2 13.110 -14.594 -3.073 13 HA GLN 2 HA GLN 2 10.659 -15.483 -4.430 14 1HB GLN 2 1HB GLN 2 10.941 -14.762 -1.836 15 2HB GLN 2 2HB GLN 2 10.520 -13.210 -2.547 16 1HG GLN 2 1HG GLN 2 8.393 -13.802 -2.906 17 2HG GLN 2 2HG GLN 2 8.827 -15.432 -3.422 18 1HE2 GLN 2 1HE2 GLN 2 9.383 -13.688 -0.396 19 2HE2 GLN 2 2HE2 GLN 2 8.584 -14.834 0.618 20 H ARG 3 H ARG 3 9.294 -13.761 -5.365 21 HA ARG 3 HA ARG 3 10.786 -12.200 -7.186 22 1HB ARG 3 1HB ARG 3 8.494 -13.229 -7.545 23 2HB ARG 3 2HB ARG 3 7.855 -11.899 -6.595 24 1HG ARG 3 1HG ARG 3 8.549 -10.299 -8.215 25 2HG ARG 3 2HG ARG 3 9.492 -11.510 -9.088 26 1HD ARG 3 1HD ARG 3 6.973 -12.618 -9.016 27 2HD ARG 3 2HD ARG 3 6.643 -10.898 -9.225 28 HE ARG 3 HE ARG 3 8.657 -11.695 -11.024 29 1HH1 ARG 3 1HH1 ARG 3 5.235 -12.063 -10.472 30 2HH1 ARG 3 2HH1 ARG 3 4.857 -12.288 -12.148 31 1HH2 ARG 3 1HH2 ARG 3 8.167 -11.985 -13.238 32 2HH2 ARG 3 2HH2 ARG 3 6.523 -12.242 -13.721 33 H GLY 4 H GLY 4 8.667 -11.311 -4.519 34 1HA GLY 4 1HA GLY 4 8.653 -9.479 -3.132 35 2HA GLY 4 2HA GLY 4 10.294 -9.153 -3.669 36 H ILE 5 H ILE 5 6.891 -8.588 -4.322 37 HA ILE 5 HA ILE 5 7.667 -6.324 -6.052 38 HB ILE 5 HB ILE 5 4.987 -7.694 -6.086 39 1HG1 ILE 5 1HG1 ILE 5 6.130 -8.398 -8.441 40 2HG1 ILE 5 2HG1 ILE 5 7.536 -8.427 -7.378 41 1HG2 ILE 5 1HG2 ILE 5 6.056 -5.321 -7.293 42 2HG2 ILE 5 2HG2 ILE 5 4.411 -5.955 -7.336 43 3HG2 ILE 5 3HG2 ILE 5 5.588 -6.476 -8.541 44 1HD1 ILE 5 1HD1 ILE 5 6.922 -10.388 -6.587 45 2HD1 ILE 5 2HD1 ILE 5 5.560 -10.396 -7.705 46 3HD1 ILE 5 3HD1 ILE 5 5.366 -9.737 -6.082 47 H VAL 6 H VAL 6 7.428 -4.432 -5.058 48 HA VAL 6 HA VAL 6 5.276 -4.157 -3.068 49 HB VAL 6 HB VAL 6 7.609 -3.659 -2.264 50 1HG1 VAL 6 1HG1 VAL 6 7.363 -1.386 -4.215 51 2HG1 VAL 6 2HG1 VAL 6 8.571 -2.666 -4.217 52 3HG1 VAL 6 3HG1 VAL 6 8.550 -1.472 -2.928 53 1HG2 VAL 6 1HG2 VAL 6 6.025 -1.131 -2.194 54 2HG2 VAL 6 2HG2 VAL 6 6.898 -1.941 -0.895 55 3HG2 VAL 6 3HG2 VAL 6 5.362 -2.593 -1.471 56 H TRP 7 H TRP 7 3.548 -3.009 -3.670 57 HA TRP 7 HA TRP 7 3.887 -1.150 -5.924 58 1HB TRP 7 1HB TRP 7 1.617 -2.938 -5.127 59 2HB TRP 7 2HB TRP 7 1.328 -1.522 -6.137 60 HD1 TRP 7 HD1 TRP 7 4.644 -2.876 -6.946 61 HE1 TRP 7 HE1 TRP 7 4.574 -4.287 -9.086 62 HE3 TRP 7 HE3 TRP 7 -0.427 -3.413 -7.393 63 HZ2 TRP 7 HZ2 TRP 7 2.641 -5.484 -10.742 64 HZ3 TRP 7 HZ3 TRP 7 -1.299 -4.719 -9.297 65 HH2 TRP 7 HH2 TRP 7 0.211 -5.732 -10.931 66 H VAL 8 H VAL 8 3.214 0.911 -5.755 67 HA VAL 8 HA VAL 8 2.036 1.732 -3.180 68 HB VAL 8 HB VAL 8 3.794 3.649 -4.604 69 1HG1 VAL 8 1HG1 VAL 8 2.547 4.103 -2.473 70 2HG1 VAL 8 2HG1 VAL 8 4.276 4.443 -2.435 71 3HG1 VAL 8 3HG1 VAL 8 3.650 2.980 -1.680 72 1HG2 VAL 8 1HG2 VAL 8 5.486 2.175 -4.760 73 2HG2 VAL 8 2HG2 VAL 8 4.764 1.060 -3.598 74 3HG2 VAL 8 3HG2 VAL 8 5.650 2.472 -3.028 75 H VAL 9 H VAL 9 0.643 3.480 -3.183 76 HA VAL 9 HA VAL 9 -0.041 4.632 -5.781 77 HB VAL 9 HB VAL 9 -2.458 4.380 -4.224 78 1HG1 VAL 9 1HG1 VAL 9 -3.086 3.142 -6.437 79 2HG1 VAL 9 2HG1 VAL 9 -1.489 3.681 -6.959 80 3HG1 VAL 9 3HG1 VAL 9 -2.692 4.864 -6.473 81 1HG2 VAL 9 1HG2 VAL 9 -2.731 1.896 -4.635 82 2HG2 VAL 9 2HG2 VAL 9 -1.688 2.339 -3.299 83 3HG2 VAL 9 3HG2 VAL 9 -0.981 1.822 -4.821 84 H ASP 10 H ASP 10 0.045 6.724 -5.703 85 HA ASP 10 HA ASP 10 -1.125 8.395 -3.785 86 1HB ASP 10 1HB ASP 10 0.931 7.335 -2.543 87 2HB ASP 10 2HB ASP 10 1.856 8.506 -3.482 88 H ASP 11 H ASP 11 1.072 10.387 -4.020 89 HA ASP 11 HA ASP 11 0.171 11.639 -6.375 90 1HB ASP 11 1HB ASP 11 2.459 12.232 -4.507 91 2HB ASP 11 2HB ASP 11 2.127 13.224 -5.922 92 H ASP 12 H ASP 12 2.232 9.065 -6.157 93 HA ASP 12 HA ASP 12 3.733 8.092 -7.561 94 1HB ASP 12 1HB ASP 12 1.640 8.794 -9.047 95 2HB ASP 12 2HB ASP 12 2.837 9.828 -9.816 96 H SER 13 H SER 13 4.734 9.608 -10.043 97 HA SER 13 HA SER 13 6.824 10.422 -10.491 98 1HB SER 13 1HB SER 13 5.020 12.212 -10.576 99 2HB SER 13 2HB SER 13 5.738 12.842 -9.097 100 HG SER 13 HG SER 13 7.207 12.361 -11.470 101 H SER 14 H SER 14 6.569 12.482 -7.681 102 HA SER 14 HA SER 14 9.214 12.118 -6.904 103 1HB SER 14 1HB SER 14 6.786 13.232 -5.552 104 2HB SER 14 2HB SER 14 8.265 13.003 -4.618 105 HG SER 14 HG SER 14 9.318 14.237 -6.332 106 H ILE 15 H ILE 15 6.274 10.724 -5.437 107 HA ILE 15 HA ILE 15 7.618 9.179 -3.525 108 HB ILE 15 HB ILE 15 4.968 8.447 -4.757 109 1HG1 ILE 15 1HG1 ILE 15 5.023 10.858 -4.098 110 2HG1 ILE 15 2HG1 ILE 15 3.872 9.901 -3.175 111 1HG2 ILE 15 1HG2 ILE 15 5.877 8.090 -1.917 112 2HG2 ILE 15 2HG2 ILE 15 6.160 6.877 -3.165 113 3HG2 ILE 15 3HG2 ILE 15 4.511 7.332 -2.734 114 1HD1 ILE 15 1HD1 ILE 15 5.470 11.634 -2.019 115 2HD1 ILE 15 2HD1 ILE 15 6.593 10.274 -2.055 116 3HD1 ILE 15 3HD1 ILE 15 5.038 10.113 -1.238 117 H ARG 16 H ARG 16 6.711 8.513 -6.832 118 HA ARG 16 HA ARG 16 7.275 5.727 -6.793 119 1HB ARG 16 1HB ARG 16 5.865 6.807 -8.505 120 2HB ARG 16 2HB ARG 16 7.281 7.632 -9.138 121 1HG ARG 16 1HG ARG 16 8.126 5.066 -9.208 122 2HG ARG 16 2HG ARG 16 6.398 4.855 -9.491 123 1HD ARG 16 1HD ARG 16 6.611 6.657 -11.258 124 2HD ARG 16 2HD ARG 16 8.354 6.492 -11.085 125 HE ARG 16 HE ARG 16 6.527 4.397 -12.052 126 1HH1 ARG 16 1HH1 ARG 16 9.753 5.733 -11.793 127 2HH1 ARG 16 2HH1 ARG 16 10.440 4.592 -12.897 128 1HH2 ARG 16 1HH2 ARG 16 7.445 2.901 -13.493 129 2HH2 ARG 16 2HH2 ARG 16 9.136 2.992 -13.862 130 H TRP 17 H TRP 17 9.170 8.571 -7.686 131 HA TRP 17 HA TRP 17 11.419 7.209 -8.672 132 1HB TRP 17 1HB TRP 17 10.791 9.660 -8.963 133 2HB TRP 17 2HB TRP 17 11.482 9.918 -7.365 134 HD1 TRP 17 HD1 TRP 17 12.501 8.971 -10.946 135 HE1 TRP 17 HE1 TRP 17 15.025 9.399 -11.213 136 HE3 TRP 17 HE3 TRP 17 13.656 10.100 -6.092 137 HZ2 TRP 17 HZ2 TRP 17 17.214 10.117 -9.586 138 HZ3 TRP 17 HZ3 TRP 17 15.989 10.645 -5.533 139 HH2 TRP 17 HH2 TRP 17 17.731 10.653 -7.245 140 H VAL 18 H VAL 18 11.036 8.855 -5.541 141 HA VAL 18 HA VAL 18 13.455 8.046 -4.457 142 HB VAL 18 HB VAL 18 11.155 8.275 -2.589 143 1HG1 VAL 18 1HG1 VAL 18 13.677 9.836 -2.421 144 2HG1 VAL 18 2HG1 VAL 18 13.732 8.099 -2.123 145 3HG1 VAL 18 3HG1 VAL 18 12.695 9.131 -1.138 146 1HG2 VAL 18 1HG2 VAL 18 10.372 10.132 -3.552 147 2HG2 VAL 18 2HG2 VAL 18 11.774 10.290 -4.611 148 3HG2 VAL 18 3HG2 VAL 18 11.841 10.904 -2.961 149 H LEU 19 H LEU 19 10.319 6.469 -4.259 150 HA LEU 19 HA LEU 19 11.270 4.396 -2.571 151 1HB LEU 19 1HB LEU 19 8.697 4.936 -3.938 152 2HB LEU 19 2HB LEU 19 8.994 3.335 -3.291 153 HG LEU 19 HG LEU 19 7.743 4.659 -1.699 154 1HD1 LEU 19 1HD1 LEU 19 9.295 3.037 -0.789 155 2HD1 LEU 19 2HD1 LEU 19 9.220 4.456 0.254 156 3HD1 LEU 19 3HD1 LEU 19 10.597 4.226 -0.820 157 1HD2 LEU 19 1HD2 LEU 19 8.464 6.874 -2.419 158 2HD2 LEU 19 2HD2 LEU 19 10.070 6.572 -1.765 159 3HD2 LEU 19 3HD2 LEU 19 8.683 6.666 -0.682 160 H GLU 20 H GLU 20 10.917 4.608 -6.060 161 HA GLU 20 HA GLU 20 11.035 1.827 -6.471 162 1HB GLU 20 1HB GLU 20 11.552 2.289 -8.785 163 2HB GLU 20 2HB GLU 20 10.250 3.310 -8.209 164 1HG GLU 20 1HG GLU 20 11.850 5.158 -7.991 165 2HG GLU 20 2HG GLU 20 13.095 4.111 -8.664 166 H ARG 21 H ARG 21 13.713 4.169 -6.969 167 HA ARG 21 HA ARG 21 15.678 2.323 -7.343 168 1HB ARG 21 1HB ARG 21 15.902 5.005 -6.009 169 2HB ARG 21 2HB ARG 21 17.277 4.040 -6.548 170 1HG ARG 21 1HG ARG 21 17.006 5.320 -8.404 171 2HG ARG 21 2HG ARG 21 15.881 4.008 -8.773 172 1HD ARG 21 1HD ARG 21 14.063 5.257 -7.906 173 2HD ARG 21 2HD ARG 21 15.127 6.582 -7.461 174 HE ARG 21 HE ARG 21 14.861 7.354 -9.582 175 1HH1 ARG 21 1HH1 ARG 21 14.497 3.871 -9.714 176 2HH1 ARG 21 2HH1 ARG 21 14.206 3.850 -11.417 177 1HH2 ARG 21 1HH2 ARG 21 14.463 7.309 -11.817 178 2HH2 ARG 21 2HH2 ARG 21 14.179 5.792 -12.606 179 H ALA 22 H ALA 22 15.122 4.003 -4.262 180 HA ALA 22 HA ALA 22 16.820 2.565 -2.670 181 1HB ALA 22 1HB ALA 22 16.033 3.908 -1.087 182 2HB ALA 22 2HB ALA 22 14.428 3.188 -1.197 183 3HB ALA 22 3HB ALA 22 14.874 4.514 -2.271 184 H LEU 23 H LEU 23 13.581 1.672 -3.644 185 HA LEU 23 HA LEU 23 13.434 -0.553 -1.861 186 1HB LEU 23 1HB LEU 23 11.513 0.744 -3.032 187 2HB LEU 23 2HB LEU 23 11.814 -0.345 -4.369 188 HG LEU 23 HG LEU 23 9.970 -0.849 -2.586 189 1HD1 LEU 23 1HD1 LEU 23 10.114 -3.177 -3.093 190 2HD1 LEU 23 2HD1 LEU 23 11.829 -3.029 -3.491 191 3HD1 LEU 23 3HD1 LEU 23 10.616 -2.256 -4.513 192 1HD2 LEU 23 1HD2 LEU 23 10.684 -2.260 -0.773 193 2HD2 LEU 23 2HD2 LEU 23 11.498 -0.700 -0.658 194 3HD2 LEU 23 3HD2 LEU 23 12.369 -2.106 -1.270 195 H ALA 24 H ALA 24 14.607 -0.024 -5.082 196 HA ALA 24 HA ALA 24 14.755 -2.737 -5.877 197 1HB ALA 24 1HB ALA 24 14.905 -0.838 -7.460 198 2HB ALA 24 2HB ALA 24 16.242 -1.976 -7.630 199 3HB ALA 24 3HB ALA 24 16.489 -0.441 -6.796 200 H GLY 25 H GLY 25 16.841 -0.587 -4.053 201 1HA GLY 25 1HA GLY 25 19.143 -2.231 -4.013 202 2HA GLY 25 2HA GLY 25 18.741 -0.996 -2.825 203 H ALA 26 H ALA 26 16.130 -2.340 -2.314 204 HA ALA 26 HA ALA 26 17.037 -4.067 -0.226 205 1HB ALA 26 1HB ALA 26 15.228 -2.732 0.388 206 2HB ALA 26 2HB ALA 26 14.510 -4.322 0.136 207 3HB ALA 26 3HB ALA 26 14.351 -3.075 -1.102 208 H GLY 27 H GLY 27 16.153 -4.492 -3.484 209 1HA GLY 27 1HA GLY 27 16.498 -6.546 -4.609 210 2HA GLY 27 2HA GLY 27 16.198 -7.393 -3.102 211 H LEU 28 H LEU 28 13.994 -4.880 -4.173 212 HA LEU 28 HA LEU 28 12.183 -6.911 -5.188 213 1HB LEU 28 1HB LEU 28 10.836 -4.901 -3.557 214 2HB LEU 28 2HB LEU 28 10.565 -6.624 -3.656 215 HG LEU 28 HG LEU 28 12.860 -6.647 -2.280 216 1HD1 LEU 28 1HD1 LEU 28 12.683 -4.831 -0.549 217 2HD1 LEU 28 2HD1 LEU 28 11.572 -4.012 -1.646 218 3HD1 LEU 28 3HD1 LEU 28 13.233 -4.317 -2.147 219 1HD2 LEU 28 1HD2 LEU 28 10.082 -6.940 -1.712 220 2HD2 LEU 28 2HD2 LEU 28 10.870 -6.167 -0.336 221 3HD2 LEU 28 3HD2 LEU 28 11.460 -7.717 -0.934 222 H THR 29 H THR 29 10.070 -5.725 -6.002 223 HA THR 29 HA THR 29 11.022 -3.545 -7.733 224 HB THR 29 HB THR 29 8.832 -5.593 -8.070 225 HG1 THR 29 HG1 THR 29 11.081 -6.078 -8.590 226 1HG2 THR 29 1HG2 THR 29 7.719 -4.116 -9.308 227 2HG2 THR 29 2HG2 THR 29 9.011 -4.350 -10.486 228 3HG2 THR 29 3HG2 THR 29 9.077 -2.992 -9.364 229 H CYS 30 H CYS 30 10.131 -1.566 -7.651 230 HA CYS 30 HA CYS 30 7.706 -1.221 -6.012 231 1HB CYS 30 1HB CYS 30 10.045 -0.303 -5.222 232 2HB CYS 30 2HB CYS 30 9.663 0.991 -6.347 233 HG CYS 30 HG CYS 30 8.063 1.928 -4.745 234 H THR 31 H THR 31 6.023 -0.700 -7.218 235 HA THR 31 HA THR 31 6.436 1.217 -9.418 236 HB THR 31 HB THR 31 5.825 -1.226 -10.080 237 HG1 THR 31 HG1 THR 31 4.898 1.171 -11.016 238 1HG2 THR 31 1HG2 THR 31 3.774 -0.942 -8.325 239 2HG2 THR 31 2HG2 THR 31 3.815 -2.084 -9.668 240 3HG2 THR 31 3HG2 THR 31 3.003 -0.535 -9.858 241 H THR 32 H THR 32 4.609 2.668 -9.777 242 HA THR 32 HA THR 32 2.839 2.851 -7.453 243 HB THR 32 HB THR 32 3.141 5.247 -7.360 244 HG1 THR 32 HG1 THR 32 3.632 5.360 -9.716 245 1HG2 THR 32 1HG2 THR 32 5.955 4.337 -7.600 246 2HG2 THR 32 2HG2 THR 32 4.922 3.579 -6.387 247 3HG2 THR 32 3HG2 THR 32 5.186 5.326 -6.361 248 H PHE 33 H PHE 33 0.888 4.072 -7.760 249 HA PHE 33 HA PHE 33 0.047 4.368 -10.550 250 1HB PHE 33 1HB PHE 33 -1.728 3.105 -8.463 251 2HB PHE 33 2HB PHE 33 -2.030 3.252 -10.185 252 HD1 PHE 33 HD1 PHE 33 -1.740 1.379 -11.452 253 HD2 PHE 33 HD2 PHE 33 0.564 1.826 -7.906 254 HE1 PHE 33 HE1 PHE 33 -0.764 -0.837 -11.822 255 HE2 PHE 33 HE2 PHE 33 1.555 -0.398 -8.275 256 HZ PHE 33 HZ PHE 33 0.874 -1.743 -10.234 257 H GLU 34 H GLU 34 -2.214 5.482 -10.583 258 HA GLU 34 HA GLU 34 -1.875 8.062 -9.539 259 1HB GLU 34 1HB GLU 34 -4.119 8.503 -10.405 260 2HB GLU 34 2HB GLU 34 -3.172 7.579 -11.564 261 1HG GLU 34 1HG GLU 34 -4.984 6.275 -11.684 262 2HG GLU 34 2HG GLU 34 -4.388 5.592 -10.175 263 H ASN 35 H ASN 35 -4.099 5.468 -8.529 264 HA ASN 35 HA ASN 35 -4.081 6.420 -5.843 265 1HB ASN 35 1HB ASN 35 -5.784 7.855 -7.204 266 2HB ASN 35 2HB ASN 35 -6.801 6.421 -7.106 267 1HD2 ASN 35 1HD2 ASN 35 -8.310 7.533 -5.859 268 2HD2 ASN 35 2HD2 ASN 35 -8.028 7.891 -4.193 269 H GLY 36 H GLY 36 -5.617 5.095 -4.467 270 1HA GLY 36 1HA GLY 36 -5.047 2.422 -4.668 271 2HA GLY 36 2HA GLY 36 -6.409 3.064 -3.774 272 H ASN 37 H ASN 37 -7.229 4.087 -6.706 273 HA ASN 37 HA ASN 37 -8.946 1.827 -7.167 274 1HB ASN 37 1HB ASN 37 -8.725 4.588 -8.311 275 2HB ASN 37 2HB ASN 37 -9.656 3.364 -9.170 276 1HD2 ASN 37 1HD2 ASN 37 -11.052 2.036 -7.458 277 2HD2 ASN 37 2HD2 ASN 37 -12.035 3.038 -6.452 278 H GLU 38 H GLU 38 -6.350 3.530 -8.860 279 HA GLU 38 HA GLU 38 -6.308 2.040 -11.204 280 1HB GLU 38 1HB GLU 38 -5.000 4.127 -10.647 281 2HB GLU 38 2HB GLU 38 -3.849 3.092 -9.819 282 1HG GLU 38 1HG GLU 38 -2.885 2.491 -11.727 283 2HG GLU 38 2HG GLU 38 -4.432 2.162 -12.501 284 H VAL 39 H VAL 39 -4.424 1.450 -8.188 285 HA VAL 39 HA VAL 39 -3.084 -0.817 -9.035 286 HB VAL 39 HB VAL 39 -4.232 -0.527 -6.263 287 1HG1 VAL 39 1HG1 VAL 39 -1.541 -1.617 -6.725 288 2HG1 VAL 39 2HG1 VAL 39 -2.869 -2.599 -7.334 289 3HG1 VAL 39 3HG1 VAL 39 -2.811 -2.159 -5.630 290 1HG2 VAL 39 1HG2 VAL 39 -1.827 0.456 -5.923 291 2HG2 VAL 39 2HG2 VAL 39 -3.159 1.484 -6.443 292 3HG2 VAL 39 3HG2 VAL 39 -1.996 0.888 -7.624 293 H LEU 40 H LEU 40 -6.439 -0.517 -8.035 294 HA LEU 40 HA LEU 40 -7.032 -3.221 -7.646 295 1HB LEU 40 1HB LEU 40 -8.951 -1.318 -8.960 296 2HB LEU 40 2HB LEU 40 -9.311 -2.669 -7.904 297 HG LEU 40 HG LEU 40 -8.035 -0.070 -7.061 298 1HD1 LEU 40 1HD1 LEU 40 -10.177 0.178 -5.792 299 2HD1 LEU 40 2HD1 LEU 40 -10.805 -1.183 -6.719 300 3HD1 LEU 40 3HD1 LEU 40 -10.332 0.298 -7.543 301 1HD2 LEU 40 1HD2 LEU 40 -8.775 -2.545 -5.513 302 2HD2 LEU 40 2HD2 LEU 40 -8.444 -0.984 -4.762 303 3HD2 LEU 40 3HD2 LEU 40 -7.181 -1.810 -5.673 304 H ALA 41 H ALA 41 -7.311 -1.249 -10.594 305 HA ALA 41 HA ALA 41 -8.116 -3.323 -12.302 306 1HB ALA 41 1HB ALA 41 -6.512 -0.900 -13.074 307 2HB ALA 41 2HB ALA 41 -8.257 -0.888 -12.807 308 3HB ALA 41 3HB ALA 41 -7.570 -1.855 -14.114 309 H ALA 42 H ALA 42 -4.937 -2.002 -11.615 310 HA ALA 42 HA ALA 42 -3.472 -3.675 -13.340 311 1HB ALA 42 1HB ALA 42 -1.756 -3.035 -11.232 312 2HB ALA 42 2HB ALA 42 -2.891 -1.687 -11.326 313 3HB ALA 42 3HB ALA 42 -1.956 -2.155 -12.747 314 H LEU 43 H LEU 43 -4.574 -4.069 -10.032 315 HA LEU 43 HA LEU 43 -2.993 -6.330 -9.421 316 1HB LEU 43 1HB LEU 43 -5.469 -5.143 -8.233 317 2HB LEU 43 2HB LEU 43 -4.871 -6.695 -7.672 318 HG LEU 43 HG LEU 43 -3.179 -4.212 -7.690 319 1HD1 LEU 43 1HD1 LEU 43 -4.691 -5.379 -5.360 320 2HD1 LEU 43 2HD1 LEU 43 -5.191 -3.943 -6.253 321 3HD1 LEU 43 3HD1 LEU 43 -3.672 -3.939 -5.357 322 1HD2 LEU 43 1HD2 LEU 43 -2.168 -5.777 -5.792 323 2HD2 LEU 43 2HD2 LEU 43 -1.681 -5.891 -7.484 324 3HD2 LEU 43 3HD2 LEU 43 -2.871 -7.017 -6.830 325 H ALA 44 H ALA 44 -5.909 -5.947 -11.206 326 HA ALA 44 HA ALA 44 -7.016 -8.506 -10.916 327 1HB ALA 44 1HB ALA 44 -7.319 -6.266 -12.790 328 2HB ALA 44 2HB ALA 44 -8.541 -7.253 -11.989 329 3HB ALA 44 3HB ALA 44 -7.741 -7.848 -13.443 330 H SER 45 H SER 45 -4.127 -7.544 -12.436 331 HA SER 45 HA SER 45 -4.014 -10.061 -13.906 332 1HB SER 45 1HB SER 45 -3.303 -7.348 -14.669 333 2HB SER 45 2HB SER 45 -1.977 -8.481 -14.927 334 HG SER 45 HG SER 45 -3.045 -8.910 -16.693 335 H LYS 46 H LYS 46 -2.808 -8.487 -11.206 336 HA LYS 46 HA LYS 46 -0.875 -10.529 -10.744 337 1HB LYS 46 1HB LYS 46 0.123 -8.495 -12.228 338 2HB LYS 46 2HB LYS 46 0.441 -7.893 -10.608 339 1HG LYS 46 1HG LYS 46 1.317 -10.466 -10.422 340 2HG LYS 46 2HG LYS 46 1.715 -10.059 -12.092 341 1HD LYS 46 1HD LYS 46 2.506 -7.813 -10.745 342 2HD LYS 46 2HD LYS 46 2.882 -9.092 -9.588 343 1HE LYS 46 1HE LYS 46 4.680 -9.670 -10.757 344 2HE LYS 46 2HE LYS 46 3.697 -9.922 -12.198 345 1HZ LYS 46 1HZ LYS 46 5.278 -8.303 -12.763 346 2HZ LYS 46 2HZ LYS 46 5.047 -7.434 -11.329 347 3HZ LYS 46 3HZ LYS 46 3.842 -7.442 -12.518 348 H THR 47 H THR 47 0.164 -10.327 -8.624 349 HA THR 47 HA THR 47 -1.125 -8.456 -6.809 350 HB THR 47 HB THR 47 -1.070 -11.451 -6.473 351 HG1 THR 47 HG1 THR 47 -3.319 -11.151 -6.300 352 1HG2 THR 47 1HG2 THR 47 -0.504 -10.295 -4.331 353 2HG2 THR 47 2HG2 THR 47 -1.998 -11.234 -4.297 354 3HG2 THR 47 3HG2 THR 47 -2.065 -9.479 -4.435 355 HA PRO 48 HA PRO 48 3.237 -8.401 -5.638 356 1HB PRO 48 1HB PRO 48 2.562 -6.072 -4.024 357 2HB PRO 48 2HB PRO 48 3.587 -6.166 -5.458 358 1HG PRO 48 1HG PRO 48 1.189 -4.916 -5.465 359 2HG PRO 48 2HG PRO 48 1.859 -5.730 -6.888 360 1HD PRO 48 1HD PRO 48 -0.200 -6.714 -4.947 361 2HD PRO 48 2HD PRO 48 -0.189 -6.813 -6.722 362 H ASP 49 H ASP 49 4.398 -8.410 -3.560 363 HA ASP 49 HA ASP 49 3.031 -10.050 -1.652 364 1HB ASP 49 1HB ASP 49 5.806 -8.841 -1.662 365 2HB ASP 49 2HB ASP 49 5.217 -9.908 -0.390 366 H VAL 50 H VAL 50 3.722 -6.675 -1.963 367 HA VAL 50 HA VAL 50 2.217 -6.149 0.475 368 HB VAL 50 HB VAL 50 4.488 -6.090 1.282 369 1HG1 VAL 50 1HG1 VAL 50 6.273 -5.147 0.241 370 2HG1 VAL 50 2HG1 VAL 50 5.299 -3.918 -0.555 371 3HG1 VAL 50 3HG1 VAL 50 5.301 -5.567 -1.168 372 1HG2 VAL 50 1HG2 VAL 50 4.685 -3.736 2.009 373 2HG2 VAL 50 2HG2 VAL 50 3.057 -4.384 2.213 374 3HG2 VAL 50 3HG2 VAL 50 3.416 -3.302 0.867 375 H LEU 51 H LEU 51 1.502 -3.822 0.552 376 HA LEU 51 HA LEU 51 1.695 -2.390 -1.967 377 1HB LEU 51 1HB LEU 51 -0.103 -3.940 -2.419 378 2HB LEU 51 2HB LEU 51 -0.923 -3.468 -0.943 379 HG LEU 51 HG LEU 51 -1.113 -1.139 -1.945 380 1HD1 LEU 51 1HD1 LEU 51 0.301 -0.937 -3.719 381 2HD1 LEU 51 2HD1 LEU 51 -1.148 -1.463 -4.577 382 3HD1 LEU 51 3HD1 LEU 51 0.119 -2.629 -4.193 383 1HD2 LEU 51 1HD2 LEU 51 -2.529 -3.592 -2.802 384 2HD2 LEU 51 2HD2 LEU 51 -2.857 -2.113 -3.703 385 3HD2 LEU 51 3HD2 LEU 51 -3.136 -2.165 -1.961 386 H LEU 52 H LEU 52 1.010 -0.267 -1.910 387 HA LEU 52 HA LEU 52 0.344 0.839 0.739 388 1HB LEU 52 1HB LEU 52 2.392 1.735 -1.269 389 2HB LEU 52 2HB LEU 52 1.767 2.823 -0.048 390 HG LEU 52 HG LEU 52 2.865 0.238 0.902 391 1HD1 LEU 52 1HD1 LEU 52 4.575 0.793 -0.692 392 2HD1 LEU 52 2HD1 LEU 52 5.157 1.224 0.919 393 3HD1 LEU 52 3HD1 LEU 52 4.573 2.479 -0.171 394 1HD2 LEU 52 1HD2 LEU 52 3.157 1.378 2.831 395 2HD2 LEU 52 2HD2 LEU 52 1.888 2.392 2.131 396 3HD2 LEU 52 3HD2 LEU 52 3.581 2.869 1.996 397 H SER 53 H SER 53 -1.654 1.796 0.579 398 HA SER 53 HA SER 53 -2.437 2.897 -2.032 399 1HB SER 53 1HB SER 53 -3.798 1.272 -0.099 400 2HB SER 53 2HB SER 53 -4.702 2.760 -0.367 401 HG SER 53 HG SER 53 -4.476 2.275 -2.662 402 H ASP 54 H ASP 54 -3.014 4.955 -2.336 403 HA ASP 54 HA ASP 54 -2.467 6.892 -0.292 404 1HB ASP 54 1HB ASP 54 -2.066 7.176 -2.798 405 2HB ASP 54 2HB ASP 54 -3.800 7.416 -2.950 406 H ILE 55 H ILE 55 -4.113 8.726 0.019 407 HA ILE 55 HA ILE 55 -6.890 7.977 -0.058 408 HB ILE 55 HB ILE 55 -6.360 6.783 1.885 409 1HG1 ILE 55 1HG1 ILE 55 -7.107 9.283 3.310 410 2HG1 ILE 55 2HG1 ILE 55 -8.177 8.758 2.016 411 1HG2 ILE 55 1HG2 ILE 55 -4.606 9.104 2.549 412 2HG2 ILE 55 2HG2 ILE 55 -4.200 7.393 2.435 413 3HG2 ILE 55 3HG2 ILE 55 -5.140 7.986 3.799 414 1HD1 ILE 55 1HD1 ILE 55 -8.179 7.900 4.653 415 2HD1 ILE 55 2HD1 ILE 55 -7.488 6.560 3.740 416 3HD1 ILE 55 3HD1 ILE 55 -9.073 7.198 3.305 417 H ARG 56 H ARG 56 -7.193 9.914 -1.209 418 HA ARG 56 HA ARG 56 -6.871 12.357 0.404 419 1HB ARG 56 1HB ARG 56 -5.343 12.056 -1.676 420 2HB ARG 56 2HB ARG 56 -6.797 12.427 -2.593 421 1HG ARG 56 1HG ARG 56 -6.300 14.572 -2.349 422 2HG ARG 56 2HG ARG 56 -6.684 14.398 -0.636 423 1HD ARG 56 1HD ARG 56 -3.968 13.897 -1.843 424 2HD ARG 56 2HD ARG 56 -4.450 15.407 -1.075 425 HE ARG 56 HE ARG 56 -3.889 12.872 0.237 426 1HH1 ARG 56 1HH1 ARG 56 -5.040 16.156 0.537 427 2HH1 ARG 56 2HH1 ARG 56 -4.818 16.202 2.253 428 1HH2 ARG 56 1HH2 ARG 56 -3.603 12.937 2.485 429 2HH2 ARG 56 2HH2 ARG 56 -4.010 14.375 3.359 430 H MET 57 H MET 57 -9.131 11.210 0.850 431 HA MET 57 HA MET 57 -11.391 11.263 0.713 432 1HB MET 57 1HB MET 57 -12.345 13.462 0.557 433 2HB MET 57 2HB MET 57 -10.825 13.552 1.433 434 1HG MET 57 1HG MET 57 -9.723 14.574 -0.360 435 2HG MET 57 2HG MET 57 -10.993 14.135 -1.500 436 1HE MET 57 1HE MET 57 -11.325 17.810 -1.781 437 2HE MET 57 2HE MET 57 -12.482 16.602 -2.341 438 3HE MET 57 3HE MET 57 -10.752 16.271 -2.423 439 HA PRO 58 HA PRO 58 -11.498 11.095 -4.084 440 1HB PRO 58 1HB PRO 58 -11.373 8.381 -4.377 441 2HB PRO 58 2HB PRO 58 -9.956 9.433 -4.459 442 1HG PRO 58 1HG PRO 58 -10.958 7.784 -2.169 443 2HG PRO 58 2HG PRO 58 -9.297 8.013 -2.742 444 1HD PRO 58 1HD PRO 58 -10.268 9.327 -0.599 445 2HD PRO 58 2HD PRO 58 -9.083 10.054 -1.698 446 H GLY 59 H GLY 59 -12.636 8.024 -2.747 447 1HA GLY 59 1HA GLY 59 -15.401 8.864 -3.310 448 2HA GLY 59 2HA GLY 59 -14.835 7.196 -3.251 449 H MET 60 H MET 60 -14.327 6.266 -1.194 450 HA MET 60 HA MET 60 -15.955 7.374 0.949 451 1HB MET 60 1HB MET 60 -15.657 4.819 0.178 452 2HB MET 60 2HB MET 60 -14.386 4.892 1.390 453 1HG MET 60 1HG MET 60 -15.989 4.376 2.840 454 2HG MET 60 2HG MET 60 -16.477 6.062 2.693 455 1HE MET 60 1HE MET 60 -19.045 6.543 0.658 456 2HE MET 60 2HE MET 60 -18.323 6.848 2.238 457 3HE MET 60 3HE MET 60 -19.832 5.943 2.116 458 H ASP 61 H ASP 61 -14.248 9.144 0.733 459 HA ASP 61 HA ASP 61 -12.715 10.424 1.791 460 1HB ASP 61 1HB ASP 61 -13.449 8.428 3.736 461 2HB ASP 61 2HB ASP 61 -11.771 8.926 3.943 462 H GLY 62 H GLY 62 -11.941 7.186 0.937 463 1HA GLY 62 1HA GLY 62 -9.830 7.257 -0.507 464 2HA GLY 62 2HA GLY 62 -9.070 7.777 0.989 465 H LEU 63 H LEU 63 -10.743 6.110 2.669 466 HA LEU 63 HA LEU 63 -9.158 3.772 2.632 467 1HB LEU 63 1HB LEU 63 -11.770 4.219 4.079 468 2HB LEU 63 2HB LEU 63 -10.633 2.922 4.394 469 HG LEU 63 HG LEU 63 -9.006 5.019 4.786 470 1HD1 LEU 63 1HD1 LEU 63 -11.759 6.002 5.505 471 2HD1 LEU 63 2HD1 LEU 63 -10.639 6.724 4.349 472 3HD1 LEU 63 3HD1 LEU 63 -10.254 6.724 6.068 473 1HD2 LEU 63 1HD2 LEU 63 -9.615 3.090 6.296 474 2HD2 LEU 63 2HD2 LEU 63 -10.911 4.104 6.920 475 3HD2 LEU 63 3HD2 LEU 63 -9.230 4.613 7.099 476 H ALA 64 H ALA 64 -12.039 4.709 1.025 477 HA ALA 64 HA ALA 64 -13.327 2.292 0.566 478 1HB ALA 64 1HB ALA 64 -14.600 3.551 -0.766 479 2HB ALA 64 2HB ALA 64 -13.243 3.900 -1.836 480 3HB ALA 64 3HB ALA 64 -13.518 4.897 -0.407 481 H LEU 65 H LEU 65 -10.464 3.668 -0.906 482 HA LEU 65 HA LEU 65 -10.138 1.945 -3.070 483 1HB LEU 65 1HB LEU 65 -7.870 3.006 -1.399 484 2HB LEU 65 2HB LEU 65 -7.862 2.617 -3.106 485 HG LEU 65 HG LEU 65 -9.518 4.860 -1.965 486 1HD1 LEU 65 1HD1 LEU 65 -7.550 6.177 -3.165 487 2HD1 LEU 65 2HD1 LEU 65 -6.639 4.760 -2.647 488 3HD1 LEU 65 3HD1 LEU 65 -7.491 5.744 -1.457 489 1HD2 LEU 65 1HD2 LEU 65 -8.897 3.823 -4.670 490 2HD2 LEU 65 2HD2 LEU 65 -9.004 5.573 -4.472 491 3HD2 LEU 65 3HD2 LEU 65 -10.377 4.551 -4.046 492 H LEU 66 H LEU 66 -9.019 1.630 0.288 493 HA LEU 66 HA LEU 66 -7.625 -0.776 -0.008 494 1HB LEU 66 1HB LEU 66 -8.225 0.939 2.075 495 2HB LEU 66 2HB LEU 66 -9.047 -0.541 2.530 496 HG LEU 66 HG LEU 66 -6.152 -0.565 1.726 497 1HD1 LEU 66 1HD1 LEU 66 -7.129 0.884 3.898 498 2HD1 LEU 66 2HD1 LEU 66 -5.469 0.360 3.626 499 3HD1 LEU 66 3HD1 LEU 66 -6.560 -0.638 4.582 500 1HD2 LEU 66 1HD2 LEU 66 -7.979 -2.376 3.275 501 2HD2 LEU 66 2HD2 LEU 66 -6.222 -2.539 3.317 502 3HD2 LEU 66 3HD2 LEU 66 -7.092 -2.723 1.793 503 H LYS 67 H LYS 67 -11.000 -0.192 0.911 504 HA LYS 67 HA LYS 67 -11.831 -2.800 1.292 505 1HB LYS 67 1HB LYS 67 -13.100 -0.541 1.567 506 2HB LYS 67 2HB LYS 67 -13.607 -0.824 -0.094 507 1HG LYS 67 1HG LYS 67 -14.250 -3.195 0.904 508 2HG LYS 67 2HG LYS 67 -14.354 -2.254 2.393 509 1HD LYS 67 1HD LYS 67 -15.713 -0.625 0.762 510 2HD LYS 67 2HD LYS 67 -16.041 -2.164 -0.040 511 1HE LYS 67 1HE LYS 67 -17.795 -1.845 1.510 512 2HE LYS 67 2HE LYS 67 -16.728 -3.056 2.218 513 1HZ LYS 67 1HZ LYS 67 -16.848 -0.175 2.926 514 2HZ LYS 67 2HZ LYS 67 -15.709 -1.263 3.539 515 3HZ LYS 67 3HZ LYS 67 -17.350 -1.473 3.887 516 H GLN 68 H GLN 68 -11.630 -0.962 -1.740 517 HA GLN 68 HA GLN 68 -12.840 -2.893 -3.389 518 1HB GLN 68 1HB GLN 68 -10.707 -0.893 -4.170 519 2HB GLN 68 2HB GLN 68 -11.797 -1.731 -5.263 520 1HG GLN 68 1HG GLN 68 -12.601 0.261 -3.161 521 2HG GLN 68 2HG GLN 68 -12.500 0.562 -4.895 522 1HE2 GLN 68 1HE2 GLN 68 -13.883 -0.826 -6.265 523 2HE2 GLN 68 2HE2 GLN 68 -15.450 -1.243 -5.672 524 H ILE 69 H ILE 69 -9.479 -2.445 -2.403 525 HA ILE 69 HA ILE 69 -8.260 -4.277 -4.094 526 HB ILE 69 HB ILE 69 -7.470 -3.704 -1.237 527 1HG1 ILE 69 1HG1 ILE 69 -6.289 -2.370 -3.656 528 2HG1 ILE 69 2HG1 ILE 69 -7.755 -1.734 -2.916 529 1HG2 ILE 69 1HG2 ILE 69 -5.235 -4.135 -2.927 530 2HG2 ILE 69 2HG2 ILE 69 -6.365 -5.462 -3.185 531 3HG2 ILE 69 3HG2 ILE 69 -5.774 -5.111 -1.555 532 1HD1 ILE 69 1HD1 ILE 69 -6.224 -1.943 -0.739 533 2HD1 ILE 69 2HD1 ILE 69 -6.257 -0.508 -1.764 534 3HD1 ILE 69 3HD1 ILE 69 -4.972 -1.700 -1.954 535 H LYS 70 H LYS 70 -9.522 -4.793 -0.855 536 HA LYS 70 HA LYS 70 -8.960 -7.512 -0.628 537 1HB LYS 70 1HB LYS 70 -10.558 -7.549 1.182 538 2HB LYS 70 2HB LYS 70 -9.614 -6.072 1.250 539 1HG LYS 70 1HG LYS 70 -11.392 -4.756 0.894 540 2HG LYS 70 2HG LYS 70 -12.120 -5.877 -0.257 541 1HD LYS 70 1HD LYS 70 -12.045 -6.848 2.495 542 2HD LYS 70 2HD LYS 70 -13.039 -5.411 2.267 543 1HE LYS 70 1HE LYS 70 -13.641 -7.105 0.119 544 2HE LYS 70 2HE LYS 70 -13.568 -8.150 1.536 545 1HZ LYS 70 1HZ LYS 70 -15.534 -7.399 2.172 546 2HZ LYS 70 2HZ LYS 70 -15.637 -6.456 0.771 547 3HZ LYS 70 3HZ LYS 70 -14.980 -5.800 2.184 548 H GLN 71 H GLN 71 -11.560 -5.906 -2.242 549 HA GLN 71 HA GLN 71 -13.268 -8.147 -2.429 550 1HB GLN 71 1HB GLN 71 -13.178 -5.424 -3.550 551 2HB GLN 71 2HB GLN 71 -14.046 -6.611 -4.520 552 1HG GLN 71 1HG GLN 71 -15.674 -6.916 -2.948 553 2HG GLN 71 2HG GLN 71 -14.624 -6.451 -1.610 554 1HE2 GLN 71 1HE2 GLN 71 -13.785 -4.061 -1.974 555 2HE2 GLN 71 2HE2 GLN 71 -15.047 -2.920 -2.275 556 H ARG 72 H ARG 72 -10.499 -7.175 -4.227 557 HA ARG 72 HA ARG 72 -11.087 -9.242 -6.240 558 1HB ARG 72 1HB ARG 72 -9.430 -6.737 -6.423 559 2HB ARG 72 2HB ARG 72 -9.360 -8.012 -7.630 560 1HG ARG 72 1HG ARG 72 -12.078 -7.462 -7.300 561 2HG ARG 72 2HG ARG 72 -11.274 -5.892 -7.313 562 1HD ARG 72 1HD ARG 72 -10.007 -6.900 -9.369 563 2HD ARG 72 2HD ARG 72 -11.394 -7.985 -9.435 564 HE ARG 72 HE ARG 72 -12.702 -6.236 -10.144 565 1HH1 ARG 72 1HH1 ARG 72 -9.647 -4.999 -8.994 566 2HH1 ARG 72 2HH1 ARG 72 -9.924 -3.403 -9.605 567 1HH2 ARG 72 1HH2 ARG 72 -13.073 -4.138 -10.928 568 2HH2 ARG 72 2HH2 ARG 72 -11.874 -2.910 -10.692 569 H HIS 73 H HIS 73 -8.976 -8.483 -3.657 570 HA HIS 73 HA HIS 73 -6.963 -10.370 -4.679 571 1HB HIS 73 1HB HIS 73 -5.351 -9.305 -3.383 572 2HB HIS 73 2HB HIS 73 -6.390 -7.968 -3.863 573 HD1 HIS 73 HD1 HIS 73 -6.198 -10.357 -0.920 574 HD2 HIS 73 HD2 HIS 73 -7.030 -6.414 -1.757 575 HE1 HIS 73 HE1 HIS 73 -6.574 -9.278 1.308 576 HE2 HIS 73 HE2 HIS 73 -7.254 -6.921 0.748 577 HA PRO 74 HA PRO 74 -7.888 -13.259 -1.449 578 1HB PRO 74 1HB PRO 74 -5.532 -14.513 -1.145 579 2HB PRO 74 2HB PRO 74 -6.477 -14.643 -2.632 580 1HG PRO 74 1HG PRO 74 -3.997 -13.119 -2.097 581 2HG PRO 74 2HG PRO 74 -4.591 -13.807 -3.614 582 1HD PRO 74 1HD PRO 74 -4.769 -11.104 -2.762 583 2HD PRO 74 2HD PRO 74 -5.505 -11.826 -4.203 584 H MET 75 H MET 75 -4.657 -11.857 -0.753 585 HA MET 75 HA MET 75 -5.544 -10.912 1.808 586 1HB MET 75 1HB MET 75 -4.043 -13.429 1.557 587 2HB MET 75 2HB MET 75 -3.379 -12.298 2.726 588 1HG MET 75 1HG MET 75 -5.431 -12.244 3.943 589 2HG MET 75 2HG MET 75 -6.248 -13.189 2.700 590 1HE MET 75 1HE MET 75 -3.445 -14.630 5.982 591 2HE MET 75 2HE MET 75 -3.836 -12.971 5.529 592 3HE MET 75 3HE MET 75 -2.630 -13.874 4.613 593 H LEU 76 H LEU 76 -4.544 -9.495 -0.373 594 HA LEU 76 HA LEU 76 -1.766 -8.989 -0.194 595 1HB LEU 76 1HB LEU 76 -3.700 -8.459 -2.005 596 2HB LEU 76 2HB LEU 76 -3.564 -6.891 -1.236 597 HG LEU 76 HG LEU 76 -1.274 -8.386 -2.509 598 1HD1 LEU 76 1HD1 LEU 76 -2.026 -5.900 -3.747 599 2HD1 LEU 76 2HD1 LEU 76 -3.389 -7.018 -3.721 600 3HD1 LEU 76 3HD1 LEU 76 -1.865 -7.504 -4.461 601 1HD2 LEU 76 1HD2 LEU 76 -0.196 -7.014 -1.038 602 2HD2 LEU 76 2HD2 LEU 76 -1.525 -5.857 -0.976 603 3HD2 LEU 76 3HD2 LEU 76 -0.434 -5.873 -2.362 604 HA PRO 77 HA PRO 77 -2.221 -6.429 3.510 605 1HB PRO 77 1HB PRO 77 0.435 -5.922 3.830 606 2HB PRO 77 2HB PRO 77 -0.339 -7.415 4.373 607 1HG PRO 77 1HG PRO 77 1.266 -6.899 1.909 608 2HG PRO 77 2HG PRO 77 1.277 -8.313 2.977 609 1HD PRO 77 1HD PRO 77 -0.021 -8.274 0.591 610 2HD PRO 77 2HD PRO 77 -0.577 -9.238 1.975 611 H VAL 78 H VAL 78 -2.996 -4.435 3.125 612 HA VAL 78 HA VAL 78 -1.612 -2.670 1.249 613 HB VAL 78 HB VAL 78 -4.238 -2.083 2.599 614 1HG1 VAL 78 1HG1 VAL 78 -4.281 -1.020 0.075 615 2HG1 VAL 78 2HG1 VAL 78 -2.590 -0.833 0.541 616 3HG1 VAL 78 3HG1 VAL 78 -3.864 -0.151 1.551 617 1HG2 VAL 78 1HG2 VAL 78 -3.990 -3.373 -0.108 618 2HG2 VAL 78 2HG2 VAL 78 -5.440 -3.139 0.865 619 3HG2 VAL 78 3HG2 VAL 78 -4.225 -4.315 1.364 620 H ILE 79 H ILE 79 -1.054 -0.549 1.786 621 HA ILE 79 HA ILE 79 -1.053 0.133 4.641 622 HB ILE 79 HB ILE 79 1.324 0.592 2.853 623 1HG1 ILE 79 1HG1 ILE 79 1.866 -1.240 4.995 624 2HG1 ILE 79 2HG1 ILE 79 0.520 -1.849 4.040 625 1HG2 ILE 79 1HG2 ILE 79 2.385 1.495 4.680 626 2HG2 ILE 79 2HG2 ILE 79 1.368 0.625 5.830 627 3HG2 ILE 79 3HG2 ILE 79 0.724 2.019 4.960 628 1HD1 ILE 79 1HD1 ILE 79 3.334 -1.758 3.419 629 2HD1 ILE 79 2HD1 ILE 79 2.361 -1.010 2.153 630 3HD1 ILE 79 3HD1 ILE 79 2.036 -2.671 2.652 631 H ILE 80 H ILE 80 -2.160 1.964 4.812 632 HA ILE 80 HA ILE 80 -2.288 3.761 2.532 633 HB ILE 80 HB ILE 80 -3.807 3.958 5.123 634 1HG1 ILE 80 1HG1 ILE 80 -4.209 1.792 4.041 635 2HG1 ILE 80 2HG1 ILE 80 -5.635 2.816 3.960 636 1HG2 ILE 80 1HG2 ILE 80 -4.179 5.983 4.162 637 2HG2 ILE 80 2HG2 ILE 80 -5.436 5.056 3.350 638 3HG2 ILE 80 3HG2 ILE 80 -3.913 5.388 2.524 639 1HD1 ILE 80 1HD1 ILE 80 -5.210 3.332 1.666 640 2HD1 ILE 80 2HD1 ILE 80 -5.182 1.581 1.877 641 3HD1 ILE 80 3HD1 ILE 80 -3.670 2.475 1.716 642 H MET 81 H MET 81 -1.899 5.983 2.621 643 HA MET 81 HA MET 81 0.273 6.706 4.406 644 1HB MET 81 1HB MET 81 -0.098 8.954 2.936 645 2HB MET 81 2HB MET 81 0.964 7.633 2.501 646 1HG MET 81 1HG MET 81 -1.717 7.145 1.557 647 2HG MET 81 2HG MET 81 -1.120 8.701 1.011 648 1HE MET 81 1HE MET 81 0.061 4.533 0.123 649 2HE MET 81 2HE MET 81 -0.181 5.213 1.730 650 3HE MET 81 3HE MET 81 1.438 5.145 1.039 651 H THR 82 H THR 82 -3.111 7.314 4.248 652 HA THR 82 HA THR 82 -2.801 9.106 6.535 653 HB THR 82 HB THR 82 -4.775 9.798 4.373 654 HG1 THR 82 HG1 THR 82 -2.844 10.006 3.348 655 1HG2 THR 82 1HG2 THR 82 -3.888 12.100 5.571 656 2HG2 THR 82 2HG2 THR 82 -4.002 10.958 6.909 657 3HG2 THR 82 3HG2 THR 82 -5.411 11.272 5.897 658 H ALA 83 H ALA 83 -4.395 8.982 8.059 659 HA ALA 83 HA ALA 83 -6.673 7.220 7.494 660 1HB ALA 83 1HB ALA 83 -5.642 6.877 10.193 661 2HB ALA 83 2HB ALA 83 -4.500 6.366 8.949 662 3HB ALA 83 3HB ALA 83 -6.121 5.672 8.997 663 H HIS 84 H HIS 84 -6.454 10.112 7.700 664 HA HIS 84 HA HIS 84 -7.688 10.773 10.251 665 1HB HIS 84 1HB HIS 84 -7.643 13.100 9.401 666 2HB HIS 84 2HB HIS 84 -6.057 12.338 9.349 667 HD1 HIS 84 HD1 HIS 84 -5.268 13.959 7.498 668 HD2 HIS 84 HD2 HIS 84 -8.531 11.625 6.422 669 HE1 HIS 84 HE1 HIS 84 -5.497 14.229 5.011 670 HE2 HIS 84 HE2 HIS 84 -7.442 12.760 4.373 671 H SER 85 H SER 85 -9.074 8.987 8.428 672 HA SER 85 HA SER 85 -11.528 10.551 8.081 673 1HB SER 85 1HB SER 85 -10.395 8.559 6.098 674 2HB SER 85 2HB SER 85 -11.981 9.313 5.974 675 HG SER 85 HG SER 85 -10.154 10.310 4.781 676 H ASP 86 H ASP 86 -13.088 8.404 7.100 677 HA ASP 86 HA ASP 86 -13.955 7.204 9.446 678 1HB ASP 86 1HB ASP 86 -14.805 7.301 6.802 679 2HB ASP 86 2HB ASP 86 -14.536 5.586 7.096 680 H LEU 87 H LEU 87 -12.149 6.308 10.524 681 HA LEU 87 HA LEU 87 -10.315 4.479 9.579 682 1HB LEU 87 1HB LEU 87 -10.957 5.571 12.023 683 2HB LEU 87 2HB LEU 87 -11.273 3.867 12.275 684 HG LEU 87 HG LEU 87 -8.996 4.553 12.956 685 1HD1 LEU 87 1HD1 LEU 87 -9.606 2.241 12.127 686 2HD1 LEU 87 2HD1 LEU 87 -7.893 2.668 12.112 687 3HD1 LEU 87 3HD1 LEU 87 -8.824 2.701 10.618 688 1HD2 LEU 87 1HD2 LEU 87 -8.698 6.274 11.183 689 2HD2 LEU 87 2HD2 LEU 87 -8.484 4.967 10.019 690 3HD2 LEU 87 3HD2 LEU 87 -7.338 5.165 11.343 691 H ASP 88 H ASP 88 -13.667 4.015 10.199 692 HA ASP 88 HA ASP 88 -13.926 1.354 10.772 693 1HB ASP 88 1HB ASP 88 -15.617 3.132 9.022 694 2HB ASP 88 2HB ASP 88 -16.080 1.477 9.413 695 H ALA 89 H ALA 89 -13.469 2.769 7.533 696 HA ALA 89 HA ALA 89 -13.662 0.313 6.153 697 1HB ALA 89 1HB ALA 89 -12.406 2.928 5.379 698 2HB ALA 89 2HB ALA 89 -14.005 2.333 4.940 699 3HB ALA 89 3HB ALA 89 -12.564 1.556 4.284 700 H ALA 90 H ALA 90 -11.110 1.836 7.893 701 HA ALA 90 HA ALA 90 -8.949 0.405 6.699 702 1HB ALA 90 1HB ALA 90 -8.607 2.531 7.868 703 2HB ALA 90 2HB ALA 90 -7.614 1.242 8.555 704 3HB ALA 90 3HB ALA 90 -9.082 1.765 9.381 705 H VAL 91 H VAL 91 -11.311 -0.342 9.109 706 HA VAL 91 HA VAL 91 -9.820 -2.347 10.464 707 HB VAL 91 HB VAL 91 -12.825 -2.231 10.305 708 1HG1 VAL 91 1HG1 VAL 91 -12.120 -3.028 12.818 709 2HG1 VAL 91 2HG1 VAL 91 -10.837 -3.747 11.841 710 3HG1 VAL 91 3HG1 VAL 91 -12.527 -4.117 11.492 711 1HG2 VAL 91 1HG2 VAL 91 -11.623 -0.047 10.982 712 2HG2 VAL 91 2HG2 VAL 91 -11.198 -0.918 12.455 713 3HG2 VAL 91 3HG2 VAL 91 -12.893 -0.667 12.037 714 H SER 92 H SER 92 -12.107 -2.413 7.757 715 HA SER 92 HA SER 92 -12.183 -5.233 7.525 716 1HB SER 92 1HB SER 92 -12.645 -3.174 5.352 717 2HB SER 92 2HB SER 92 -13.135 -4.869 5.304 718 HG SER 92 HG SER 92 -14.807 -3.352 5.946 719 H ALA 93 H ALA 93 -9.846 -2.881 6.743 720 HA ALA 93 HA ALA 93 -8.518 -4.161 4.623 721 1HB ALA 93 1HB ALA 93 -6.644 -2.704 5.176 722 2HB ALA 93 2HB ALA 93 -7.411 -2.297 6.708 723 3HB ALA 93 3HB ALA 93 -8.165 -1.810 5.188 724 H TYR 94 H TYR 94 -8.052 -4.218 8.105 725 HA TYR 94 HA TYR 94 -5.866 -6.003 8.118 726 1HB TYR 94 1HB TYR 94 -7.879 -5.894 10.346 727 2HB TYR 94 2HB TYR 94 -6.141 -6.154 10.447 728 HD1 TYR 94 HD1 TYR 94 -4.783 -4.038 9.347 729 HD2 TYR 94 HD2 TYR 94 -8.619 -3.895 11.191 730 HE1 TYR 94 HE1 TYR 94 -4.455 -1.648 9.831 731 HE2 TYR 94 HE2 TYR 94 -8.298 -1.507 11.677 732 HH TYR 94 HH TYR 94 -7.017 0.364 10.986 733 H GLN 95 H GLN 95 -9.284 -6.408 7.893 734 HA GLN 95 HA GLN 95 -9.463 -9.142 8.571 735 1HB GLN 95 1HB GLN 95 -11.528 -8.086 8.549 736 2HB GLN 95 2HB GLN 95 -11.186 -7.221 7.061 737 1HG GLN 95 1HG GLN 95 -11.465 -10.182 6.976 738 2HG GLN 95 2HG GLN 95 -12.910 -9.180 7.110 739 1HE2 GLN 95 1HE2 GLN 95 -12.402 -7.058 5.563 740 2HE2 GLN 95 2HE2 GLN 95 -12.143 -7.539 3.927 741 H GLN 96 H GLN 96 -9.013 -7.485 5.465 742 HA GLN 96 HA GLN 96 -8.847 -9.927 4.002 743 1HB GLN 96 1HB GLN 96 -8.093 -8.474 2.125 744 2HB GLN 96 2HB GLN 96 -9.624 -7.995 2.828 745 1HG GLN 96 1HG GLN 96 -8.500 -5.996 2.481 746 2HG GLN 96 2HG GLN 96 -8.285 -6.319 4.193 747 1HE2 GLN 96 1HE2 GLN 96 -6.613 -4.577 3.371 748 2HE2 GLN 96 2HE2 GLN 96 -5.039 -5.213 3.050 749 H GLY 97 H GLY 97 -6.665 -8.110 5.908 750 1HA GLY 97 1HA GLY 97 -4.641 -9.363 6.536 751 2HA GLY 97 2HA GLY 97 -4.438 -9.724 4.832 752 H ALA 98 H ALA 98 -5.465 -6.522 5.680 753 HA ALA 98 HA ALA 98 -3.310 -5.290 4.388 754 1HB ALA 98 1HB ALA 98 -5.407 -4.309 6.258 755 2HB ALA 98 2HB ALA 98 -5.133 -3.894 4.568 756 3HB ALA 98 3HB ALA 98 -4.073 -3.251 5.819 757 H PHE 99 H PHE 99 -1.607 -3.938 5.287 758 HA PHE 99 HA PHE 99 -0.342 -5.246 7.513 759 1HB PHE 99 1HB PHE 99 0.939 -4.493 5.496 760 2HB PHE 99 2HB PHE 99 0.643 -2.829 5.998 761 HD1 PHE 99 HD1 PHE 99 1.631 -5.924 7.815 762 HD2 PHE 99 HD2 PHE 99 2.564 -1.883 6.849 763 HE1 PHE 99 HE1 PHE 99 3.589 -6.029 9.299 764 HE2 PHE 99 HE2 PHE 99 4.528 -1.990 8.335 765 HZ PHE 99 HZ PHE 99 5.041 -4.059 9.561 766 H ASP 100 H ASP 100 -1.345 -1.910 6.762 767 HA ASP 100 HA ASP 100 -2.587 -1.327 9.128 768 1HB ASP 100 1HB ASP 100 0.215 -1.592 9.568 769 2HB ASP 100 2HB ASP 100 -0.194 0.111 9.746 770 H TYR 101 H TYR 101 -1.801 1.252 9.721 771 HA TYR 101 HA TYR 101 -2.094 2.673 7.152 772 1HB TYR 101 1HB TYR 101 -3.701 2.802 9.640 773 2HB TYR 101 2HB TYR 101 -3.304 4.352 8.913 774 HD1 TYR 101 HD1 TYR 101 -4.726 1.013 7.978 775 HD2 TYR 101 HD2 TYR 101 -4.717 5.213 7.301 776 HE1 TYR 101 HE1 TYR 101 -6.607 0.761 6.418 777 HE2 TYR 101 HE2 TYR 101 -6.610 4.970 5.748 778 HH TYR 101 HH TYR 101 -7.508 2.932 4.234 779 H LEU 102 H LEU 102 -0.392 3.990 6.793 780 HA LEU 102 HA LEU 102 1.169 4.918 9.099 781 1HB LEU 102 1HB LEU 102 2.440 3.698 7.429 782 2HB LEU 102 2HB LEU 102 1.845 4.751 6.161 783 HG LEU 102 HG LEU 102 3.024 6.611 7.661 784 1HD1 LEU 102 1HD1 LEU 102 4.781 5.918 8.949 785 2HD1 LEU 102 2HD1 LEU 102 4.987 4.414 8.054 786 3HD1 LEU 102 3HD1 LEU 102 3.672 4.575 9.218 787 1HD2 LEU 102 1HD2 LEU 102 4.927 6.468 6.199 788 2HD2 LEU 102 2HD2 LEU 102 3.462 6.078 5.306 789 3HD2 LEU 102 3HD2 LEU 102 4.549 4.788 5.815 790 HA PRO 103 HA PRO 103 -0.552 8.999 8.748 791 1HB PRO 103 1HB PRO 103 1.735 10.384 9.539 792 2HB PRO 103 2HB PRO 103 0.504 9.735 10.619 793 1HG PRO 103 1HG PRO 103 3.137 8.567 9.826 794 2HG PRO 103 2HG PRO 103 2.336 8.561 11.408 795 1HD PRO 103 1HD PRO 103 2.336 6.382 9.868 796 2HD PRO 103 2HD PRO 103 0.893 6.831 10.806 797 H LYS 104 H LYS 104 -0.005 11.137 7.659 798 HA LYS 104 HA LYS 104 0.369 10.831 4.996 799 1HB LYS 104 1HB LYS 104 -0.410 12.925 6.068 800 2HB LYS 104 2HB LYS 104 1.254 13.293 6.501 801 1HG LYS 104 1HG LYS 104 0.466 14.483 4.481 802 2HG LYS 104 2HG LYS 104 1.884 13.475 4.199 803 1HD LYS 104 1HD LYS 104 -0.397 11.866 3.708 804 2HD LYS 104 2HD LYS 104 -0.663 13.408 2.897 805 1HE LYS 104 1HE LYS 104 1.102 13.123 1.468 806 2HE LYS 104 2HE LYS 104 2.002 12.120 2.605 807 1HZ LYS 104 1HZ LYS 104 0.983 11.017 0.534 808 2HZ LYS 104 2HZ LYS 104 -0.490 11.123 1.367 809 3HZ LYS 104 3HZ LYS 104 0.796 10.247 2.028 810 HA PRO 105 HA PRO 105 5.204 11.873 5.566 811 1HB PRO 105 1HB PRO 105 5.426 10.089 7.956 812 2HB PRO 105 2HB PRO 105 6.369 11.525 7.535 813 1HG PRO 105 1HG PRO 105 4.472 11.647 9.402 814 2HG PRO 105 2HG PRO 105 4.726 12.985 8.267 815 1HD PRO 105 1HD PRO 105 2.564 10.947 8.331 816 2HD PRO 105 2HD PRO 105 2.505 12.635 7.802 817 H PHE 106 H PHE 106 6.861 10.241 4.922 818 HA PHE 106 HA PHE 106 6.296 7.495 4.928 819 1HB PHE 106 1HB PHE 106 4.814 8.964 3.006 820 2HB PHE 106 2HB PHE 106 6.020 8.029 2.130 821 HD1 PHE 106 HD1 PHE 106 6.276 5.575 3.429 822 HD2 PHE 106 HD2 PHE 106 2.763 7.922 3.002 823 HE1 PHE 106 HE1 PHE 106 4.902 3.542 3.623 824 HE2 PHE 106 HE2 PHE 106 1.389 5.897 3.188 825 HZ PHE 106 HZ PHE 106 2.446 3.716 3.512 826 H ASP 107 H ASP 107 7.456 9.157 2.016 827 HA ASP 107 HA ASP 107 9.452 8.884 0.918 828 1HB ASP 107 1HB ASP 107 11.381 9.777 2.166 829 2HB ASP 107 2HB ASP 107 9.946 10.771 2.396 830 H ILE 108 H ILE 108 11.945 7.980 1.592 831 HA ILE 108 HA ILE 108 11.524 5.188 1.634 832 HB ILE 108 HB ILE 108 13.876 6.945 1.465 833 1HG1 ILE 108 1HG1 ILE 108 14.242 5.860 -0.574 834 2HG1 ILE 108 2HG1 ILE 108 13.308 4.450 -0.089 835 1HG2 ILE 108 1HG2 ILE 108 15.512 5.307 1.809 836 2HG2 ILE 108 2HG2 ILE 108 14.321 4.014 1.873 837 3HG2 ILE 108 3HG2 ILE 108 14.441 5.170 3.199 838 1HD1 ILE 108 1HD1 ILE 108 12.293 7.159 -0.872 839 2HD1 ILE 108 2HD1 ILE 108 11.281 5.945 -0.100 840 3HD1 ILE 108 3HD1 ILE 108 12.012 5.616 -1.660 841 H ASP 109 H ASP 109 12.811 7.416 3.982 842 HA ASP 109 HA ASP 109 13.593 5.635 5.926 843 1HB ASP 109 1HB ASP 109 13.777 8.222 5.851 844 2HB ASP 109 2HB ASP 109 12.217 8.200 6.667 845 H GLU 110 H GLU 110 10.373 7.215 5.747 846 HA GLU 110 HA GLU 110 9.372 5.541 7.817 847 1HB GLU 110 1HB GLU 110 7.844 7.457 6.062 848 2HB GLU 110 2HB GLU 110 7.271 6.733 7.554 849 1HG GLU 110 1HG GLU 110 9.797 8.263 7.689 850 2HG GLU 110 2HG GLU 110 8.310 9.175 7.426 851 H ALA 111 H ALA 111 9.267 5.388 4.326 852 HA ALA 111 HA ALA 111 7.131 3.437 4.366 853 1HB ALA 111 1HB ALA 111 6.818 4.077 2.291 854 2HB ALA 111 2HB ALA 111 8.403 3.440 1.841 855 3HB ALA 111 3HB ALA 111 8.240 5.107 2.380 856 H VAL 112 H VAL 112 10.577 3.413 3.410 857 HA VAL 112 HA VAL 112 10.736 0.661 3.009 858 HB VAL 112 HB VAL 112 12.973 2.394 4.033 859 1HG1 VAL 112 1HG1 VAL 112 12.851 -0.340 3.642 860 2HG1 VAL 112 2HG1 VAL 112 14.320 0.635 3.739 861 3HG1 VAL 112 3HG1 VAL 112 13.612 0.258 2.167 862 1HG2 VAL 112 1HG2 VAL 112 12.532 3.543 2.138 863 2HG2 VAL 112 2HG2 VAL 112 11.652 2.206 1.400 864 3HG2 VAL 112 3HG2 VAL 112 13.416 2.216 1.390 865 H ALA 113 H ALA 113 10.908 2.584 5.884 866 HA ALA 113 HA ALA 113 11.910 0.688 7.695 867 1HB ALA 113 1HB ALA 113 10.755 3.287 7.788 868 2HB ALA 113 2HB ALA 113 11.682 2.459 9.039 869 3HB ALA 113 3HB ALA 113 9.928 2.278 8.970 870 H LEU 114 H LEU 114 8.630 1.613 6.851 871 HA LEU 114 HA LEU 114 7.396 -0.454 8.352 872 1HB LEU 114 1HB LEU 114 6.392 1.760 7.926 873 2HB LEU 114 2HB LEU 114 6.244 1.341 6.231 874 HG LEU 114 HG LEU 114 4.888 -0.704 7.223 875 1HD1 LEU 114 1HD1 LEU 114 3.449 0.551 9.089 876 2HD1 LEU 114 2HD1 LEU 114 5.024 1.275 9.419 877 3HD1 LEU 114 3HD1 LEU 114 4.828 -0.475 9.481 878 1HD2 LEU 114 1HD2 LEU 114 3.489 1.931 7.159 879 2HD2 LEU 114 2HD2 LEU 114 2.971 0.363 6.544 880 3HD2 LEU 114 3HD2 LEU 114 4.220 1.272 5.694 881 H VAL 115 H VAL 115 8.648 -0.301 5.128 882 HA VAL 115 HA VAL 115 6.927 -2.382 4.148 883 HB VAL 115 HB VAL 115 7.986 -0.594 2.683 884 1HG1 VAL 115 1HG1 VAL 115 10.306 -1.056 3.584 885 2HG1 VAL 115 2HG1 VAL 115 10.159 -0.895 1.838 886 3HG1 VAL 115 3HG1 VAL 115 10.306 -2.493 2.570 887 1HG2 VAL 115 1HG2 VAL 115 7.072 -3.136 2.150 888 2HG2 VAL 115 2HG2 VAL 115 8.614 -3.076 1.298 889 3HG2 VAL 115 3HG2 VAL 115 7.373 -1.871 0.960 890 H GLU 116 H GLU 116 10.382 -2.231 5.009 891 HA GLU 116 HA GLU 116 10.873 -4.965 4.523 892 1HB GLU 116 1HB GLU 116 12.308 -2.906 6.190 893 2HB GLU 116 2HB GLU 116 12.879 -4.564 6.047 894 1HG GLU 116 1HG GLU 116 12.960 -4.257 3.580 895 2HG GLU 116 2HG GLU 116 12.559 -2.559 3.826 896 H ARG 117 H ARG 117 10.055 -3.185 7.479 897 HA ARG 117 HA ARG 117 10.168 -5.372 9.239 898 1HB ARG 117 1HB ARG 117 8.470 -2.876 9.398 899 2HB ARG 117 2HB ARG 117 8.746 -3.994 10.726 900 1HG ARG 117 1HG ARG 117 11.193 -2.976 9.485 901 2HG ARG 117 2HG ARG 117 10.189 -1.743 10.251 902 1HD ARG 117 1HD ARG 117 10.401 -2.684 12.347 903 2HD ARG 117 2HD ARG 117 10.759 -4.284 11.704 904 HE ARG 117 HE ARG 117 12.700 -2.092 11.442 905 1HH1 ARG 117 1HH1 ARG 117 11.876 -5.288 12.604 906 2HH1 ARG 117 2HH1 ARG 117 13.503 -5.675 13.047 907 1HH2 ARG 117 1HH2 ARG 117 14.830 -2.608 12.028 908 2HH2 ARG 117 2HH2 ARG 117 15.177 -4.156 12.725 909 H ALA 118 H ALA 118 7.816 -4.358 6.934 910 HA ALA 118 HA ALA 118 5.602 -5.802 7.976 911 1HB ALA 118 1HB ALA 118 6.118 -4.759 5.197 912 2HB ALA 118 2HB ALA 118 5.271 -3.912 6.490 913 3HB ALA 118 3HB ALA 118 4.571 -5.369 5.786 914 H ILE 119 H ILE 119 7.678 -6.381 5.135 915 HA ILE 119 HA ILE 119 6.669 -8.978 4.660 916 HB ILE 119 HB ILE 119 9.338 -7.906 3.773 917 1HG1 ILE 119 1HG1 ILE 119 7.008 -7.735 1.955 918 2HG1 ILE 119 2HG1 ILE 119 7.010 -6.604 3.304 919 1HG2 ILE 119 1HG2 ILE 119 8.909 -9.390 1.816 920 2HG2 ILE 119 2HG2 ILE 119 7.510 -10.033 2.677 921 3HG2 ILE 119 3HG2 ILE 119 9.130 -10.245 3.343 922 1HD1 ILE 119 1HD1 ILE 119 9.305 -6.935 1.397 923 2HD1 ILE 119 2HD1 ILE 119 9.088 -5.677 2.617 924 3HD1 ILE 119 3HD1 ILE 119 8.025 -5.734 1.209 925 H SER 120 H SER 120 9.262 -7.718 6.587 926 HA SER 120 HA SER 120 10.672 -10.134 6.992 927 1HB SER 120 1HB SER 120 10.599 -7.484 8.390 928 2HB SER 120 2HB SER 120 11.452 -8.837 9.130 929 HG SER 120 HG SER 120 13.024 -8.368 7.834 930 H HIS 121 H HIS 121 8.156 -8.481 8.871 931 HA HIS 121 HA HIS 121 8.106 -10.349 10.988 932 1HB HIS 121 1HB HIS 121 6.352 -8.139 10.058 933 2HB HIS 121 2HB HIS 121 5.646 -9.325 11.152 934 HD1 HIS 121 HD1 HIS 121 9.015 -7.540 11.137 935 HD2 HIS 121 HD2 HIS 121 5.791 -8.305 13.642 936 HE1 HIS 121 HE1 HIS 121 9.617 -6.495 13.343 937 HE2 HIS 121 HE2 HIS 121 7.681 -7.029 14.866 938 H TYR 122 H TYR 122 6.643 -10.294 7.856 939 HA TYR 122 HA TYR 122 4.651 -12.258 8.368 940 1HB TYR 122 1HB TYR 122 5.534 -10.666 6.121 941 2HB TYR 122 2HB TYR 122 5.213 -12.327 5.632 942 HD1 TYR 122 HD1 TYR 122 3.762 -9.329 5.503 943 HD2 TYR 122 HD2 TYR 122 2.954 -13.156 7.177 944 HE1 TYR 122 HE1 TYR 122 1.354 -8.841 5.439 945 HE2 TYR 122 HE2 TYR 122 0.542 -12.679 7.117 946 HH TYR 122 HH TYR 122 -1.023 -11.225 5.916 947 H GLN 123 H GLN 123 7.698 -12.404 6.521 948 HA GLN 123 HA GLN 123 7.640 -15.253 6.382 949 1HB GLN 123 1HB GLN 123 8.922 -13.263 4.981 950 2HB GLN 123 2HB GLN 123 10.230 -13.989 5.904 951 1HG GLN 123 1HG GLN 123 10.094 -15.060 3.771 952 2HG GLN 123 2HG GLN 123 9.582 -16.198 5.016 953 1HE2 GLN 123 1HE2 GLN 123 8.167 -17.474 4.016 954 2HE2 GLN 123 2HE2 GLN 123 6.767 -16.934 3.159 955 H GLU 124 H GLU 124 9.908 -16.335 6.977 956 HA GLU 124 HA GLU 124 10.919 -15.432 9.542 957 1HB GLU 124 1HB GLU 124 8.896 -16.792 10.075 958 2HB GLU 124 2HB GLU 124 9.651 -18.162 9.271 959 1HG GLU 124 1HG GLU 124 11.032 -18.583 10.991 960 2HG GLU 124 2HG GLU 124 11.270 -16.876 11.360 Start of MODEL 15 1 1H MET 1 1H MET 1 7.169 -15.328 -0.810 2 2H MET 1 2H MET 1 5.527 -15.423 -1.296 3 3H MET 1 3H MET 1 6.607 -14.376 -2.119 4 HA MET 1 HA MET 1 7.772 -16.841 -2.217 5 1HB MET 1 1HB MET 1 5.233 -17.372 -1.579 6 2HB MET 1 2HB MET 1 5.023 -17.179 -3.314 7 1HG MET 1 1HG MET 1 7.287 -18.868 -2.616 8 2HG MET 1 2HG MET 1 5.746 -19.483 -2.021 9 1HE MET 1 1HE MET 1 7.490 -21.126 -4.769 10 2HE MET 1 2HE MET 1 5.863 -21.803 -4.831 11 3HE MET 1 3HE MET 1 6.598 -21.414 -3.275 12 H GLN 2 H GLN 2 8.221 -14.377 -3.276 13 HA GLN 2 HA GLN 2 8.277 -14.956 -6.090 14 1HB GLN 2 1HB GLN 2 6.140 -13.377 -5.082 15 2HB GLN 2 2HB GLN 2 7.226 -12.294 -5.943 16 1HG GLN 2 1HG GLN 2 6.217 -12.920 -7.808 17 2HG GLN 2 2HG GLN 2 6.989 -14.492 -7.614 18 1HE2 GLN 2 1HE2 GLN 2 4.801 -14.648 -8.971 19 2HE2 GLN 2 2HE2 GLN 2 3.463 -15.225 -8.044 20 H ARG 3 H ARG 3 9.086 -12.692 -7.190 21 HA ARG 3 HA ARG 3 11.688 -12.307 -6.164 22 1HB ARG 3 1HB ARG 3 11.837 -10.515 -7.904 23 2HB ARG 3 2HB ARG 3 11.323 -12.080 -8.519 24 1HG ARG 3 1HG ARG 3 8.997 -10.640 -7.792 25 2HG ARG 3 2HG ARG 3 10.026 -9.561 -8.734 26 1HD ARG 3 1HD ARG 3 9.456 -10.602 -10.609 27 2HD ARG 3 2HD ARG 3 10.008 -12.145 -9.957 28 HE ARG 3 HE ARG 3 7.649 -12.038 -8.826 29 1HH1 ARG 3 1HH1 ARG 3 8.492 -11.131 -12.095 30 2HH1 ARG 3 2HH1 ARG 3 6.924 -11.499 -12.730 31 1HH2 ARG 3 1HH2 ARG 3 5.593 -12.521 -9.666 32 2HH2 ARG 3 2HH2 ARG 3 5.281 -12.289 -11.355 33 H GLY 4 H GLY 4 8.751 -10.983 -5.192 34 1HA GLY 4 1HA GLY 4 8.461 -9.526 -3.384 35 2HA GLY 4 2HA GLY 4 10.137 -9.022 -3.551 36 H ILE 5 H ILE 5 6.890 -8.642 -4.817 37 HA ILE 5 HA ILE 5 7.744 -6.255 -6.297 38 HB ILE 5 HB ILE 5 5.042 -7.570 -6.440 39 1HG1 ILE 5 1HG1 ILE 5 6.254 -8.285 -8.764 40 2HG1 ILE 5 2HG1 ILE 5 7.611 -8.376 -7.647 41 1HG2 ILE 5 1HG2 ILE 5 6.209 -6.109 -8.720 42 2HG2 ILE 5 2HG2 ILE 5 5.767 -5.142 -7.312 43 3HG2 ILE 5 3HG2 ILE 5 4.553 -6.139 -8.114 44 1HD1 ILE 5 1HD1 ILE 5 5.612 -9.668 -6.284 45 2HD1 ILE 5 2HD1 ILE 5 6.898 -10.436 -7.215 46 3HD1 ILE 5 3HD1 ILE 5 5.326 -10.139 -7.958 47 H VAL 6 H VAL 6 7.569 -4.419 -5.200 48 HA VAL 6 HA VAL 6 5.376 -4.141 -3.259 49 HB VAL 6 HB VAL 6 7.488 -3.753 -2.200 50 1HG1 VAL 6 1HG1 VAL 6 8.228 -2.688 -4.727 51 2HG1 VAL 6 2HG1 VAL 6 9.251 -3.059 -3.344 52 3HG1 VAL 6 3HG1 VAL 6 8.518 -1.468 -3.498 53 1HG2 VAL 6 1HG2 VAL 6 5.446 -2.063 -2.057 54 2HG2 VAL 6 2HG2 VAL 6 6.679 -0.941 -2.642 55 3HG2 VAL 6 3HG2 VAL 6 6.935 -1.829 -1.143 56 H TRP 7 H TRP 7 3.763 -2.733 -3.642 57 HA TRP 7 HA TRP 7 4.112 -0.829 -5.867 58 1HB TRP 7 1HB TRP 7 1.738 -2.496 -5.061 59 2HB TRP 7 2HB TRP 7 1.549 -1.062 -6.064 60 HD1 TRP 7 HD1 TRP 7 4.721 -2.745 -6.932 61 HE1 TRP 7 HE1 TRP 7 4.469 -4.119 -9.081 62 HE3 TRP 7 HE3 TRP 7 -0.372 -2.727 -7.296 63 HZ2 TRP 7 HZ2 TRP 7 2.383 -5.086 -10.714 64 HZ3 TRP 7 HZ3 TRP 7 -1.420 -3.903 -9.183 65 HH2 TRP 7 HH2 TRP 7 -0.069 -5.059 -10.858 66 H VAL 8 H VAL 8 3.406 1.280 -5.595 67 HA VAL 8 HA VAL 8 2.316 2.013 -2.949 68 HB VAL 8 HB VAL 8 4.224 3.906 -4.199 69 1HG1 VAL 8 1HG1 VAL 8 3.432 3.125 -1.431 70 2HG1 VAL 8 2HG1 VAL 8 3.367 4.698 -2.211 71 3HG1 VAL 8 3HG1 VAL 8 4.917 4.020 -1.719 72 1HG2 VAL 8 1HG2 VAL 8 5.992 2.509 -2.720 73 2HG2 VAL 8 2HG2 VAL 8 5.806 2.342 -4.468 74 3HG2 VAL 8 3HG2 VAL 8 5.018 1.195 -3.379 75 H VAL 9 H VAL 9 0.697 3.510 -3.002 76 HA VAL 9 HA VAL 9 0.305 4.938 -5.552 77 HB VAL 9 HB VAL 9 -2.132 4.858 -4.000 78 1HG1 VAL 9 1HG1 VAL 9 -2.613 3.555 -6.354 79 2HG1 VAL 9 2HG1 VAL 9 -1.185 4.518 -6.740 80 3HG1 VAL 9 3HG1 VAL 9 -2.636 5.304 -6.133 81 1HG2 VAL 9 1HG2 VAL 9 -0.726 2.276 -4.424 82 2HG2 VAL 9 2HG2 VAL 9 -2.459 2.338 -4.746 83 3HG2 VAL 9 3HG2 VAL 9 -1.846 2.761 -3.157 84 H ASP 10 H ASP 10 0.935 6.951 -5.309 85 HA ASP 10 HA ASP 10 -0.328 8.907 -3.900 86 1HB ASP 10 1HB ASP 10 0.419 7.727 -1.827 87 2HB ASP 10 2HB ASP 10 2.087 8.017 -2.305 88 H ASP 11 H ASP 11 0.227 10.623 -5.059 89 HA ASP 11 HA ASP 11 1.434 12.194 -6.170 90 1HB ASP 11 1HB ASP 11 3.091 11.531 -4.122 91 2HB ASP 11 2HB ASP 11 4.095 11.103 -5.504 92 H ASP 12 H ASP 12 2.854 8.948 -6.370 93 HA ASP 12 HA ASP 12 3.305 7.634 -8.149 94 1HB ASP 12 1HB ASP 12 1.220 8.696 -9.129 95 2HB ASP 12 2HB ASP 12 2.277 9.832 -9.953 96 H SER 13 H SER 13 3.851 10.353 -10.249 97 HA SER 13 HA SER 13 6.229 9.959 -11.212 98 1HB SER 13 1HB SER 13 6.640 12.494 -11.009 99 2HB SER 13 2HB SER 13 5.177 11.943 -11.828 100 HG SER 13 HG SER 13 5.311 13.572 -9.793 101 H SER 14 H SER 14 6.519 12.348 -8.686 102 HA SER 14 HA SER 14 9.163 11.808 -8.107 103 1HB SER 14 1HB SER 14 7.014 13.159 -6.489 104 2HB SER 14 2HB SER 14 8.683 13.052 -5.928 105 HG SER 14 HG SER 14 8.073 14.050 -8.495 106 H ILE 15 H ILE 15 6.276 10.451 -6.533 107 HA ILE 15 HA ILE 15 7.736 9.217 -4.449 108 HB ILE 15 HB ILE 15 4.940 8.752 -5.480 109 1HG1 ILE 15 1HG1 ILE 15 5.490 10.829 -4.203 110 2HG1 ILE 15 2HG1 ILE 15 4.295 9.811 -3.408 111 1HG2 ILE 15 1HG2 ILE 15 5.174 6.657 -4.633 112 2HG2 ILE 15 2HG2 ILE 15 4.894 7.498 -3.109 113 3HG2 ILE 15 3HG2 ILE 15 6.538 7.106 -3.608 114 1HD1 ILE 15 1HD1 ILE 15 5.617 9.429 -1.640 115 2HD1 ILE 15 2HD1 ILE 15 6.430 10.897 -2.181 116 3HD1 ILE 15 3HD1 ILE 15 7.079 9.317 -2.620 117 H ARG 16 H ARG 16 7.286 8.380 -7.735 118 HA ARG 16 HA ARG 16 7.704 5.563 -7.458 119 1HB ARG 16 1HB ARG 16 6.621 6.838 -9.425 120 2HB ARG 16 2HB ARG 16 8.269 7.141 -9.953 121 1HG ARG 16 1HG ARG 16 8.599 4.617 -9.821 122 2HG ARG 16 2HG ARG 16 6.841 4.516 -9.712 123 1HD ARG 16 1HD ARG 16 6.815 4.547 -11.935 124 2HD ARG 16 2HD ARG 16 7.287 6.240 -11.834 125 HE ARG 16 HE ARG 16 9.638 5.399 -11.935 126 1HH1 ARG 16 1HH1 ARG 16 7.025 3.499 -13.285 127 2HH1 ARG 16 2HH1 ARG 16 8.047 2.682 -14.417 128 1HH2 ARG 16 1HH2 ARG 16 10.968 4.320 -13.430 129 2HH2 ARG 16 2HH2 ARG 16 10.278 3.147 -14.501 130 H TRP 17 H TRP 17 9.763 8.157 -8.781 131 HA TRP 17 HA TRP 17 12.068 6.730 -9.182 132 1HB TRP 17 1HB TRP 17 11.696 9.103 -9.837 133 2HB TRP 17 2HB TRP 17 11.977 9.568 -8.162 134 HD1 TRP 17 HD1 TRP 17 13.860 7.866 -11.084 135 HE1 TRP 17 HE1 TRP 17 16.371 8.359 -10.811 136 HE3 TRP 17 HE3 TRP 17 13.719 10.337 -6.610 137 HZ2 TRP 17 HZ2 TRP 17 18.069 9.624 -8.946 138 HZ3 TRP 17 HZ3 TRP 17 15.833 11.155 -5.649 139 HH2 TRP 17 HH2 TRP 17 17.961 10.805 -6.794 140 H VAL 18 H VAL 18 11.011 8.225 -6.139 141 HA VAL 18 HA VAL 18 13.406 7.591 -4.764 142 HB VAL 18 HB VAL 18 10.871 7.883 -3.234 143 1HG1 VAL 18 1HG1 VAL 18 13.423 9.348 -2.743 144 2HG1 VAL 18 2HG1 VAL 18 13.313 7.631 -2.359 145 3HG1 VAL 18 3HG1 VAL 18 12.213 8.779 -1.595 146 1HG2 VAL 18 1HG2 VAL 18 10.582 9.556 -4.941 147 2HG2 VAL 18 2HG2 VAL 18 12.225 10.142 -4.704 148 3HG2 VAL 18 3HG2 VAL 18 11.021 10.344 -3.431 149 H LEU 19 H LEU 19 10.176 6.232 -4.348 150 HA LEU 19 HA LEU 19 11.010 4.074 -2.769 151 1HB LEU 19 1HB LEU 19 8.516 4.741 -4.243 152 2HB LEU 19 2HB LEU 19 8.714 3.111 -3.646 153 HG LEU 19 HG LEU 19 7.456 4.326 -2.038 154 1HD1 LEU 19 1HD1 LEU 19 9.834 3.028 -1.448 155 2HD1 LEU 19 2HD1 LEU 19 8.527 3.403 -0.326 156 3HD1 LEU 19 3HD1 LEU 19 9.890 4.504 -0.487 157 1HD2 LEU 19 1HD2 LEU 19 7.764 6.468 -1.479 158 2HD2 LEU 19 2HD2 LEU 19 8.780 6.534 -2.919 159 3HD2 LEU 19 3HD2 LEU 19 9.508 6.285 -1.335 160 H GLU 20 H GLU 20 10.914 4.418 -6.228 161 HA GLU 20 HA GLU 20 10.914 1.661 -6.837 162 1HB GLU 20 1HB GLU 20 11.414 2.225 -9.069 163 2HB GLU 20 2HB GLU 20 10.347 3.469 -8.459 164 1HG GLU 20 1HG GLU 20 12.291 4.943 -8.169 165 2HG GLU 20 2HG GLU 20 13.315 3.686 -8.858 166 H ARG 21 H ARG 21 13.650 3.930 -7.017 167 HA ARG 21 HA ARG 21 15.561 1.879 -7.355 168 1HB ARG 21 1HB ARG 21 15.926 4.733 -6.442 169 2HB ARG 21 2HB ARG 21 17.238 3.653 -6.891 170 1HG ARG 21 1HG ARG 21 15.247 3.755 -8.970 171 2HG ARG 21 2HG ARG 21 15.808 5.375 -8.554 172 1HD ARG 21 1HD ARG 21 17.693 3.093 -9.089 173 2HD ARG 21 2HD ARG 21 17.088 4.143 -10.369 174 HE ARG 21 HE ARG 21 18.406 5.390 -8.079 175 1HH1 ARG 21 1HH1 ARG 21 18.545 4.434 -11.440 176 2HH1 ARG 21 2HH1 ARG 21 19.882 5.471 -11.805 177 1HH2 ARG 21 1HH2 ARG 21 20.172 6.743 -8.566 178 2HH2 ARG 21 2HH2 ARG 21 20.806 6.776 -10.177 179 H ALA 22 H ALA 22 14.953 3.942 -4.488 180 HA ALA 22 HA ALA 22 16.737 2.774 -2.766 181 1HB ALA 22 1HB ALA 22 15.794 4.587 -1.784 182 2HB ALA 22 2HB ALA 22 14.831 3.333 -1.004 183 3HB ALA 22 3HB ALA 22 14.182 4.209 -2.390 184 H LEU 23 H LEU 23 13.322 1.875 -2.970 185 HA LEU 23 HA LEU 23 13.571 -0.387 -1.324 186 1HB LEU 23 1HB LEU 23 11.434 0.841 -2.086 187 2HB LEU 23 2HB LEU 23 11.526 -0.167 -3.517 188 HG LEU 23 HG LEU 23 11.007 -2.106 -2.357 189 1HD1 LEU 23 1HD1 LEU 23 12.177 -0.713 -0.007 190 2HD1 LEU 23 2HD1 LEU 23 12.454 -2.348 -0.604 191 3HD1 LEU 23 3HD1 LEU 23 10.972 -1.968 0.272 192 1HD2 LEU 23 1HD2 LEU 23 9.520 -0.326 -0.510 193 2HD2 LEU 23 2HD2 LEU 23 8.957 -1.705 -1.459 194 3HD2 LEU 23 3HD2 LEU 23 9.254 -0.155 -2.242 195 H ALA 24 H ALA 24 14.460 0.172 -4.586 196 HA ALA 24 HA ALA 24 14.392 -2.497 -5.534 197 1HB ALA 24 1HB ALA 24 16.512 -1.093 -6.797 198 2HB ALA 24 2HB ALA 24 15.190 0.044 -6.547 199 3HB ALA 24 3HB ALA 24 14.908 -1.452 -7.433 200 H GLY 25 H GLY 25 16.753 -0.520 -3.819 201 1HA GLY 25 1HA GLY 25 18.934 -2.302 -3.957 202 2HA GLY 25 2HA GLY 25 18.691 -1.077 -2.718 203 H ALA 26 H ALA 26 16.035 -2.338 -2.056 204 HA ALA 26 HA ALA 26 17.029 -4.126 -0.059 205 1HB ALA 26 1HB ALA 26 14.456 -4.359 0.352 206 2HB ALA 26 2HB ALA 26 14.368 -2.961 -0.720 207 3HB ALA 26 3HB ALA 26 15.297 -2.868 0.775 208 H GLY 27 H GLY 27 15.925 -4.470 -3.261 209 1HA GLY 27 1HA GLY 27 16.220 -6.543 -4.403 210 2HA GLY 27 2HA GLY 27 15.871 -7.383 -2.903 211 H LEU 28 H LEU 28 13.812 -4.741 -3.948 212 HA LEU 28 HA LEU 28 11.845 -6.703 -4.850 213 1HB LEU 28 1HB LEU 28 10.770 -4.332 -3.485 214 2HB LEU 28 2HB LEU 28 10.214 -5.992 -3.454 215 HG LEU 28 HG LEU 28 12.433 -6.285 -2.006 216 1HD1 LEU 28 1HD1 LEU 28 13.392 -4.311 -1.726 217 2HD1 LEU 28 2HD1 LEU 28 12.160 -4.113 -0.479 218 3HD1 LEU 28 3HD1 LEU 28 11.912 -3.431 -2.086 219 1HD2 LEU 28 1HD2 LEU 28 10.256 -5.104 -0.442 220 2HD2 LEU 28 2HD2 LEU 28 10.999 -6.698 -0.322 221 3HD2 LEU 28 3HD2 LEU 28 9.767 -6.389 -1.546 222 H THR 29 H THR 29 9.932 -5.583 -5.938 223 HA THR 29 HA THR 29 10.995 -3.530 -7.764 224 HB THR 29 HB THR 29 8.774 -5.552 -8.140 225 HG1 THR 29 HG1 THR 29 11.406 -5.318 -9.096 226 1HG2 THR 29 1HG2 THR 29 7.931 -3.997 -9.533 227 2HG2 THR 29 2HG2 THR 29 9.166 -4.647 -10.612 228 3HG2 THR 29 3HG2 THR 29 9.471 -3.159 -9.715 229 H CYS 30 H CYS 30 10.400 -1.565 -7.000 230 HA CYS 30 HA CYS 30 7.724 -1.252 -5.861 231 1HB CYS 30 1HB CYS 30 9.956 -0.384 -4.798 232 2HB CYS 30 2HB CYS 30 9.696 0.969 -5.893 233 HG CYS 30 HG CYS 30 8.533 1.092 -3.380 234 H THR 31 H THR 31 6.142 -0.566 -7.067 235 HA THR 31 HA THR 31 6.731 1.312 -9.260 236 HB THR 31 HB THR 31 5.904 -1.079 -9.883 237 HG1 THR 31 HG1 THR 31 4.189 0.198 -11.289 238 1HG2 THR 31 1HG2 THR 31 3.164 -0.070 -9.595 239 2HG2 THR 31 2HG2 THR 31 3.926 -0.666 -8.122 240 3HG2 THR 31 3HG2 THR 31 3.781 -1.716 -9.532 241 H THR 32 H THR 32 4.985 2.918 -9.641 242 HA THR 32 HA THR 32 3.255 3.216 -7.297 243 HB THR 32 HB THR 32 3.763 5.595 -7.168 244 HG1 THR 32 HG1 THR 32 4.546 6.443 -8.913 245 1HG2 THR 32 1HG2 THR 32 5.186 3.982 -5.899 246 2HG2 THR 32 2HG2 THR 32 5.985 5.505 -6.305 247 3HG2 THR 32 3HG2 THR 32 6.340 4.049 -7.234 248 H PHE 33 H PHE 33 1.393 4.445 -7.514 249 HA PHE 33 HA PHE 33 0.514 4.991 -10.260 250 1HB PHE 33 1HB PHE 33 -1.313 3.826 -8.168 251 2HB PHE 33 2HB PHE 33 -1.635 4.058 -9.871 252 HD1 PHE 33 HD1 PHE 33 -1.806 2.109 -11.020 253 HD2 PHE 33 HD2 PHE 33 1.051 2.370 -7.878 254 HE1 PHE 33 HE1 PHE 33 -1.105 -0.199 -11.474 255 HE2 PHE 33 HE2 PHE 33 1.759 0.062 -8.329 256 HZ PHE 33 HZ PHE 33 0.679 -1.229 -10.133 257 H GLU 34 H GLU 34 -1.661 6.225 -10.155 258 HA GLU 34 HA GLU 34 -1.168 8.749 -9.132 259 1HB GLU 34 1HB GLU 34 -3.651 9.085 -9.663 260 2HB GLU 34 2HB GLU 34 -2.609 8.539 -10.972 261 1HG GLU 34 1HG GLU 34 -3.782 6.680 -11.253 262 2HG GLU 34 2HG GLU 34 -3.706 6.299 -9.535 263 H ASN 35 H ASN 35 -4.354 7.971 -8.187 264 HA ASN 35 HA ASN 35 -3.825 8.743 -5.500 265 1HB ASN 35 1HB ASN 35 -6.436 7.793 -6.661 266 2HB ASN 35 2HB ASN 35 -6.209 8.744 -5.196 267 1HD2 ASN 35 1HD2 ASN 35 -7.652 9.204 -7.802 268 2HD2 ASN 35 2HD2 ASN 35 -7.101 10.757 -8.324 269 H GLY 36 H GLY 36 -5.659 5.988 -6.706 270 1HA GLY 36 1HA GLY 36 -4.178 4.071 -5.214 271 2HA GLY 36 2HA GLY 36 -5.647 4.511 -4.369 272 H ASN 37 H ASN 37 -7.207 4.897 -6.800 273 HA ASN 37 HA ASN 37 -8.182 2.282 -7.071 274 1HB ASN 37 1HB ASN 37 -8.719 4.871 -8.452 275 2HB ASN 37 2HB ASN 37 -9.328 3.388 -9.183 276 1HD2 ASN 37 1HD2 ASN 37 -10.138 1.871 -7.186 277 2HD2 ASN 37 2HD2 ASN 37 -11.356 2.644 -6.235 278 H GLU 38 H GLU 38 -5.800 4.081 -8.884 279 HA GLU 38 HA GLU 38 -5.711 2.594 -11.229 280 1HB GLU 38 1HB GLU 38 -4.197 4.608 -10.112 281 2HB GLU 38 2HB GLU 38 -3.065 3.273 -10.216 282 1HG GLU 38 1HG GLU 38 -4.079 3.107 -12.662 283 2HG GLU 38 2HG GLU 38 -4.381 4.819 -12.366 284 H VAL 39 H VAL 39 -3.854 2.004 -8.203 285 HA VAL 39 HA VAL 39 -2.548 -0.318 -9.029 286 HB VAL 39 HB VAL 39 -3.591 0.278 -6.252 287 1HG1 VAL 39 1HG1 VAL 39 -2.346 -2.039 -7.284 288 2HG1 VAL 39 2HG1 VAL 39 -2.702 -1.652 -5.600 289 3HG1 VAL 39 3HG1 VAL 39 -1.148 -1.200 -6.300 290 1HG2 VAL 39 1HG2 VAL 39 -0.858 0.785 -7.370 291 2HG2 VAL 39 2HG2 VAL 39 -1.479 1.267 -5.807 292 3HG2 VAL 39 3HG2 VAL 39 -2.109 2.017 -7.271 293 H LEU 40 H LEU 40 -5.697 0.043 -7.459 294 HA LEU 40 HA LEU 40 -6.416 -2.591 -7.129 295 1HB LEU 40 1HB LEU 40 -8.334 -0.465 -8.057 296 2HB LEU 40 2HB LEU 40 -8.674 -1.851 -7.040 297 HG LEU 40 HG LEU 40 -7.045 0.569 -6.258 298 1HD1 LEU 40 1HD1 LEU 40 -8.957 1.463 -5.590 299 2HD1 LEU 40 2HD1 LEU 40 -9.246 0.076 -4.546 300 3HD1 LEU 40 3HD1 LEU 40 -9.839 0.066 -6.206 301 1HD2 LEU 40 1HD2 LEU 40 -6.363 -0.474 -4.390 302 2HD2 LEU 40 2HD2 LEU 40 -6.645 -1.944 -5.322 303 3HD2 LEU 40 3HD2 LEU 40 -7.879 -1.354 -4.212 304 H ALA 41 H ALA 41 -6.748 -0.586 -10.030 305 HA ALA 41 HA ALA 41 -8.078 -2.546 -11.582 306 1HB ALA 41 1HB ALA 41 -6.380 -0.306 -12.641 307 2HB ALA 41 2HB ALA 41 -8.027 -0.076 -12.049 308 3HB ALA 41 3HB ALA 41 -7.727 -1.114 -13.443 309 H ALA 42 H ALA 42 -4.728 -1.525 -11.372 310 HA ALA 42 HA ALA 42 -3.679 -3.311 -13.280 311 1HB ALA 42 1HB ALA 42 -1.493 -2.890 -12.056 312 2HB ALA 42 2HB ALA 42 -2.418 -1.863 -10.961 313 3HB ALA 42 3HB ALA 42 -2.328 -1.466 -12.677 314 H LEU 43 H LEU 43 -4.435 -3.615 -9.898 315 HA LEU 43 HA LEU 43 -2.998 -5.939 -9.307 316 1HB LEU 43 1HB LEU 43 -5.336 -4.524 -8.150 317 2HB LEU 43 2HB LEU 43 -5.085 -6.184 -7.662 318 HG LEU 43 HG LEU 43 -2.951 -4.086 -7.421 319 1HD1 LEU 43 1HD1 LEU 43 -4.377 -5.039 -5.018 320 2HD1 LEU 43 2HD1 LEU 43 -5.268 -3.932 -6.061 321 3HD1 LEU 43 3HD1 LEU 43 -3.711 -3.448 -5.389 322 1HD2 LEU 43 1HD2 LEU 43 -3.225 -6.949 -6.802 323 2HD2 LEU 43 2HD2 LEU 43 -2.476 -5.967 -5.542 324 3HD2 LEU 43 3HD2 LEU 43 -1.785 -5.999 -7.164 325 H ALA 44 H ALA 44 -5.935 -5.450 -11.053 326 HA ALA 44 HA ALA 44 -7.062 -8.012 -10.823 327 1HB ALA 44 1HB ALA 44 -7.427 -6.620 -13.393 328 2HB ALA 44 2HB ALA 44 -7.868 -5.705 -11.952 329 3HB ALA 44 3HB ALA 44 -8.623 -7.267 -12.270 330 H SER 45 H SER 45 -4.268 -6.951 -12.474 331 HA SER 45 HA SER 45 -4.197 -9.426 -14.019 332 1HB SER 45 1HB SER 45 -4.043 -6.910 -15.038 333 2HB SER 45 2HB SER 45 -2.335 -7.291 -14.818 334 HG SER 45 HG SER 45 -4.137 -9.048 -16.112 335 H LYS 46 H LYS 46 -2.886 -7.931 -11.338 336 HA LYS 46 HA LYS 46 -0.839 -9.910 -11.122 337 1HB LYS 46 1HB LYS 46 0.003 -7.748 -12.479 338 2HB LYS 46 2HB LYS 46 0.292 -7.188 -10.838 339 1HG LYS 46 1HG LYS 46 1.324 -9.771 -10.898 340 2HG LYS 46 2HG LYS 46 1.797 -9.051 -12.439 341 1HD LYS 46 1HD LYS 46 2.237 -7.059 -10.527 342 2HD LYS 46 2HD LYS 46 2.816 -8.552 -9.784 343 1HE LYS 46 1HE LYS 46 4.086 -8.981 -11.920 344 2HE LYS 46 2HE LYS 46 3.669 -7.338 -12.405 345 1HZ LYS 46 1HZ LYS 46 5.359 -6.588 -11.214 346 2HZ LYS 46 2HZ LYS 46 5.779 -8.167 -10.779 347 3HZ LYS 46 3HZ LYS 46 4.723 -7.274 -9.804 348 H THR 47 H THR 47 0.303 -9.774 -9.022 349 HA THR 47 HA THR 47 -1.065 -8.148 -7.043 350 HB THR 47 HB THR 47 -0.729 -11.141 -6.868 351 HG1 THR 47 HG1 THR 47 -2.846 -9.447 -7.405 352 1HG2 THR 47 1HG2 THR 47 -1.727 -11.081 -4.698 353 2HG2 THR 47 2HG2 THR 47 -1.897 -9.328 -4.772 354 3HG2 THR 47 3HG2 THR 47 -0.291 -10.056 -4.685 355 HA PRO 48 HA PRO 48 3.306 -7.838 -6.005 356 1HB PRO 48 1HB PRO 48 3.120 -5.667 -4.423 357 2HB PRO 48 2HB PRO 48 3.036 -5.545 -6.185 358 1HG PRO 48 1HG PRO 48 0.826 -5.523 -4.171 359 2HG PRO 48 2HG PRO 48 1.030 -4.523 -5.619 360 1HD PRO 48 1HD PRO 48 -0.596 -6.719 -5.506 361 2HD PRO 48 2HD PRO 48 0.159 -6.126 -6.998 362 H ASP 49 H ASP 49 4.539 -7.932 -3.968 363 HA ASP 49 HA ASP 49 3.279 -9.698 -2.099 364 1HB ASP 49 1HB ASP 49 6.009 -8.385 -2.061 365 2HB ASP 49 2HB ASP 49 5.473 -9.608 -0.911 366 H VAL 50 H VAL 50 3.803 -6.284 -2.295 367 HA VAL 50 HA VAL 50 2.436 -5.922 0.251 368 HB VAL 50 HB VAL 50 4.775 -5.827 0.863 369 1HG1 VAL 50 1HG1 VAL 50 5.388 -5.141 -1.572 370 2HG1 VAL 50 2HG1 VAL 50 6.410 -4.646 -0.222 371 3HG1 VAL 50 3HG1 VAL 50 5.267 -3.507 -0.926 372 1HG2 VAL 50 1HG2 VAL 50 3.904 -4.306 2.266 373 2HG2 VAL 50 2HG2 VAL 50 3.114 -3.410 0.976 374 3HG2 VAL 50 3HG2 VAL 50 4.819 -3.164 1.289 375 H LEU 51 H LEU 51 1.611 -3.641 0.465 376 HA LEU 51 HA LEU 51 1.574 -2.109 -2.002 377 1HB LEU 51 1HB LEU 51 -0.247 -3.847 -2.133 378 2HB LEU 51 2HB LEU 51 -1.007 -3.050 -0.770 379 HG LEU 51 HG LEU 51 -1.220 -0.986 -2.112 380 1HD1 LEU 51 1HD1 LEU 51 -0.222 -0.686 -4.076 381 2HD1 LEU 51 2HD1 LEU 51 -0.775 -2.252 -4.682 382 3HD1 LEU 51 3HD1 LEU 51 0.695 -2.150 -3.718 383 1HD2 LEU 51 1HD2 LEU 51 -2.936 -1.865 -3.692 384 2HD2 LEU 51 2HD2 LEU 51 -3.110 -2.454 -2.039 385 3HD2 LEU 51 3HD2 LEU 51 -2.411 -3.495 -3.279 386 H LEU 52 H LEU 52 0.912 -0.011 -1.800 387 HA LEU 52 HA LEU 52 0.271 0.990 0.881 388 1HB LEU 52 1HB LEU 52 2.398 2.004 -0.985 389 2HB LEU 52 2HB LEU 52 1.841 2.892 0.414 390 HG LEU 52 HG LEU 52 2.771 0.166 0.977 391 1HD1 LEU 52 1HD1 LEU 52 5.110 1.809 0.836 392 2HD1 LEU 52 2HD1 LEU 52 4.354 1.748 -0.755 393 3HD1 LEU 52 3HD1 LEU 52 4.799 0.254 0.066 394 1HD2 LEU 52 1HD2 LEU 52 3.255 1.070 2.990 395 2HD2 LEU 52 2HD2 LEU 52 2.133 2.324 2.447 396 3HD2 LEU 52 3HD2 LEU 52 3.878 2.562 2.289 397 H SER 53 H SER 53 -1.486 2.352 0.791 398 HA SER 53 HA SER 53 -2.185 3.447 -1.850 399 1HB SER 53 1HB SER 53 -3.729 2.060 0.153 400 2HB SER 53 2HB SER 53 -4.459 3.616 -0.240 401 HG SER 53 HG SER 53 -3.664 1.665 -2.144 402 H ASP 54 H ASP 54 -2.863 5.522 -2.140 403 HA ASP 54 HA ASP 54 -1.789 7.484 -0.363 404 1HB ASP 54 1HB ASP 54 -1.861 7.708 -2.870 405 2HB ASP 54 2HB ASP 54 -3.594 7.970 -2.734 406 H ILE 55 H ILE 55 -4.874 6.006 -0.651 407 HA ILE 55 HA ILE 55 -6.939 6.468 0.237 408 HB ILE 55 HB ILE 55 -5.847 5.746 2.226 409 1HG1 ILE 55 1HG1 ILE 55 -7.332 8.307 2.842 410 2HG1 ILE 55 2HG1 ILE 55 -8.052 6.730 2.591 411 1HG2 ILE 55 1HG2 ILE 55 -4.756 8.538 2.465 412 2HG2 ILE 55 2HG2 ILE 55 -3.846 7.055 2.182 413 3HG2 ILE 55 3HG2 ILE 55 -4.652 7.316 3.725 414 1HD1 ILE 55 1HD1 ILE 55 -6.713 7.820 4.948 415 2HD1 ILE 55 2HD1 ILE 55 -6.358 6.135 4.567 416 3HD1 ILE 55 3HD1 ILE 55 -8.025 6.648 4.814 417 H ARG 56 H ARG 56 -7.623 8.118 -1.253 418 HA ARG 56 HA ARG 56 -8.308 10.562 0.015 419 1HB ARG 56 1HB ARG 56 -7.038 12.094 -1.462 420 2HB ARG 56 2HB ARG 56 -6.016 11.167 -0.371 421 1HG ARG 56 1HG ARG 56 -4.884 10.278 -2.060 422 2HG ARG 56 2HG ARG 56 -6.366 9.796 -2.886 423 1HD ARG 56 1HD ARG 56 -5.220 12.582 -2.947 424 2HD ARG 56 2HD ARG 56 -4.928 11.366 -4.185 425 HE ARG 56 HE ARG 56 -7.205 11.501 -4.818 426 1HH1 ARG 56 1HH1 ARG 56 -6.338 13.832 -2.358 427 2HH1 ARG 56 2HH1 ARG 56 -7.713 14.837 -2.658 428 1HH2 ARG 56 1HH2 ARG 56 -9.010 12.823 -5.199 429 2HH2 ARG 56 2HH2 ARG 56 -9.231 14.265 -4.265 430 H MET 57 H MET 57 -10.372 10.347 -0.671 431 HA MET 57 HA MET 57 -12.198 10.420 -2.017 432 1HB MET 57 1HB MET 57 -10.450 12.431 -2.800 433 2HB MET 57 2HB MET 57 -10.971 11.702 -4.312 434 1HG MET 57 1HG MET 57 -12.606 13.247 -4.069 435 2HG MET 57 2HG MET 57 -13.348 11.917 -3.181 436 1HE MET 57 1HE MET 57 -14.691 14.643 -1.054 437 2HE MET 57 2HE MET 57 -14.663 12.907 -0.744 438 3HE MET 57 3HE MET 57 -14.912 13.505 -2.384 439 HA PRO 58 HA PRO 58 -10.755 7.219 -5.151 440 1HB PRO 58 1HB PRO 58 -10.398 4.984 -3.806 441 2HB PRO 58 2HB PRO 58 -9.171 6.256 -3.704 442 1HG PRO 58 1HG PRO 58 -11.344 5.568 -1.754 443 2HG PRO 58 2HG PRO 58 -9.642 5.946 -1.440 444 1HD PRO 58 1HD PRO 58 -11.741 7.762 -1.257 445 2HD PRO 58 2HD PRO 58 -10.031 8.189 -1.445 446 H GLY 59 H GLY 59 -12.856 6.696 -2.372 447 1HA GLY 59 1HA GLY 59 -15.194 6.223 -3.871 448 2HA GLY 59 2HA GLY 59 -14.517 4.689 -3.337 449 H MET 60 H MET 60 -13.388 6.061 -0.937 450 HA MET 60 HA MET 60 -15.678 6.900 0.598 451 1HB MET 60 1HB MET 60 -15.730 4.391 0.735 452 2HB MET 60 2HB MET 60 -14.137 4.450 1.480 453 1HG MET 60 1HG MET 60 -14.985 5.660 3.358 454 2HG MET 60 2HG MET 60 -16.562 5.832 2.592 455 1HE MET 60 1HE MET 60 -18.037 3.611 5.030 456 2HE MET 60 2HE MET 60 -17.591 5.257 4.580 457 3HE MET 60 3HE MET 60 -16.588 4.352 5.714 458 H ASP 61 H ASP 61 -14.166 8.712 0.329 459 HA ASP 61 HA ASP 61 -12.778 10.252 1.237 460 1HB ASP 61 1HB ASP 61 -13.617 8.709 3.429 461 2HB ASP 61 2HB ASP 61 -11.877 8.905 3.617 462 H GLY 62 H GLY 62 -11.634 6.932 1.339 463 1HA GLY 62 1HA GLY 62 -9.421 7.145 -0.177 464 2HA GLY 62 2HA GLY 62 -8.870 7.712 1.379 465 H LEU 63 H LEU 63 -10.583 5.991 2.916 466 HA LEU 63 HA LEU 63 -8.890 3.736 3.058 467 1HB LEU 63 1HB LEU 63 -11.553 4.281 4.355 468 2HB LEU 63 2HB LEU 63 -10.592 2.853 4.686 469 HG LEU 63 HG LEU 63 -8.746 4.728 5.199 470 1HD1 LEU 63 1HD1 LEU 63 -9.541 6.717 6.000 471 2HD1 LEU 63 2HD1 LEU 63 -11.149 6.073 6.322 472 3HD1 LEU 63 3HD1 LEU 63 -10.657 6.428 4.668 473 1HD2 LEU 63 1HD2 LEU 63 -9.861 2.848 6.625 474 2HD2 LEU 63 2HD2 LEU 63 -10.750 4.191 7.339 475 3HD2 LEU 63 3HD2 LEU 63 -8.986 4.163 7.412 476 H ALA 64 H ALA 64 -11.807 4.409 1.317 477 HA ALA 64 HA ALA 64 -12.828 1.855 0.902 478 1HB ALA 64 1HB ALA 64 -12.995 3.285 -1.553 479 2HB ALA 64 2HB ALA 64 -13.175 4.425 -0.222 480 3HB ALA 64 3HB ALA 64 -14.245 3.032 -0.334 481 H LEU 65 H LEU 65 -9.924 3.313 -0.324 482 HA LEU 65 HA LEU 65 -9.418 1.766 -2.586 483 1HB LEU 65 1HB LEU 65 -7.548 2.952 -0.537 484 2HB LEU 65 2HB LEU 65 -6.973 2.135 -1.977 485 HG LEU 65 HG LEU 65 -8.781 4.535 -2.050 486 1HD1 LEU 65 1HD1 LEU 65 -6.593 5.021 -0.966 487 2HD1 LEU 65 2HD1 LEU 65 -6.865 5.898 -2.472 488 3HD1 LEU 65 3HD1 LEU 65 -5.799 4.493 -2.448 489 1HD2 LEU 65 1HD2 LEU 65 -7.112 3.166 -4.141 490 2HD2 LEU 65 2HD2 LEU 65 -7.992 4.676 -4.377 491 3HD2 LEU 65 3HD2 LEU 65 -8.872 3.183 -4.045 492 H LEU 66 H LEU 66 -8.856 1.121 0.814 493 HA LEU 66 HA LEU 66 -7.490 -1.345 0.453 494 1HB LEU 66 1HB LEU 66 -9.009 -0.325 2.853 495 2HB LEU 66 2HB LEU 66 -7.849 -1.643 2.855 496 HG LEU 66 HG LEU 66 -6.241 0.230 1.897 497 1HD1 LEU 66 1HD1 LEU 66 -6.806 2.354 3.233 498 2HD1 LEU 66 2HD1 LEU 66 -8.452 1.734 3.239 499 3HD1 LEU 66 3HD1 LEU 66 -7.642 2.073 1.711 500 1HD2 LEU 66 1HD2 LEU 66 -6.585 0.651 4.763 501 2HD2 LEU 66 2HD2 LEU 66 -5.209 0.007 3.870 502 3HD2 LEU 66 3HD2 LEU 66 -6.551 -1.048 4.299 503 H LYS 67 H LYS 67 -10.812 -0.395 1.009 504 HA LYS 67 HA LYS 67 -11.984 -2.858 1.472 505 1HB LYS 67 1HB LYS 67 -13.152 -0.698 1.689 506 2HB LYS 67 2HB LYS 67 -13.160 -0.543 -0.064 507 1HG LYS 67 1HG LYS 67 -14.296 -3.064 0.689 508 2HG LYS 67 2HG LYS 67 -15.090 -1.757 1.570 509 1HD LYS 67 1HD LYS 67 -15.054 -0.634 -0.839 510 2HD LYS 67 2HD LYS 67 -15.019 -2.325 -1.345 511 1HE LYS 67 1HE LYS 67 -16.999 -2.672 0.208 512 2HE LYS 67 2HE LYS 67 -17.101 -0.915 0.306 513 1HZ LYS 67 1HZ LYS 67 -18.162 -2.570 -1.655 514 2HZ LYS 67 2HZ LYS 67 -16.915 -1.699 -2.395 515 3HZ LYS 67 3HZ LYS 67 -18.171 -0.878 -1.616 516 H GLN 68 H GLN 68 -11.270 -1.280 -1.615 517 HA GLN 68 HA GLN 68 -12.460 -3.286 -3.235 518 1HB GLN 68 1HB GLN 68 -10.237 -1.417 -4.058 519 2HB GLN 68 2HB GLN 68 -11.432 -2.179 -5.092 520 1HG GLN 68 1HG GLN 68 -12.179 -0.208 -2.961 521 2HG GLN 68 2HG GLN 68 -11.753 0.275 -4.603 522 1HE2 GLN 68 1HE2 GLN 68 -12.970 -0.993 -6.325 523 2HE2 GLN 68 2HE2 GLN 68 -14.665 -1.204 -6.060 524 H ILE 69 H ILE 69 -9.201 -2.780 -1.970 525 HA ILE 69 HA ILE 69 -7.914 -4.768 -3.487 526 HB ILE 69 HB ILE 69 -7.168 -3.856 -0.705 527 1HG1 ILE 69 1HG1 ILE 69 -5.897 -2.797 -3.193 528 2HG1 ILE 69 2HG1 ILE 69 -7.464 -2.162 -2.714 529 1HG2 ILE 69 1HG2 ILE 69 -5.331 -5.111 -0.873 530 2HG2 ILE 69 2HG2 ILE 69 -5.006 -4.545 -2.511 531 3HG2 ILE 69 3HG2 ILE 69 -6.099 -5.903 -2.248 532 1HD1 ILE 69 1HD1 ILE 69 -6.367 -0.729 -1.439 533 2HD1 ILE 69 2HD1 ILE 69 -4.847 -1.593 -1.664 534 3HD1 ILE 69 3HD1 ILE 69 -5.964 -2.091 -0.394 535 H LYS 70 H LYS 70 -10.048 -4.965 -0.793 536 HA LYS 70 HA LYS 70 -9.301 -7.558 0.107 537 1HB LYS 70 1HB LYS 70 -12.035 -6.466 0.437 538 2HB LYS 70 2HB LYS 70 -11.058 -7.335 1.608 539 1HG LYS 70 1HG LYS 70 -9.636 -5.189 1.635 540 2HG LYS 70 2HG LYS 70 -11.027 -4.456 0.850 541 1HD LYS 70 1HD LYS 70 -11.280 -6.008 3.406 542 2HD LYS 70 2HD LYS 70 -10.911 -4.285 3.393 543 1HE LYS 70 1HE LYS 70 -13.231 -4.351 3.631 544 2HE LYS 70 2HE LYS 70 -12.999 -4.051 1.912 545 1HZ LYS 70 1HZ LYS 70 -13.356 -6.791 2.942 546 2HZ LYS 70 2HZ LYS 70 -13.596 -6.212 1.375 547 3HZ LYS 70 3HZ LYS 70 -14.685 -5.806 2.601 548 H GLN 71 H GLN 71 -11.915 -6.168 -1.727 549 HA GLN 71 HA GLN 71 -13.253 -8.534 -2.396 550 1HB GLN 71 1HB GLN 71 -13.242 -5.736 -3.440 551 2HB GLN 71 2HB GLN 71 -14.058 -6.985 -4.382 552 1HG GLN 71 1HG GLN 71 -15.589 -7.438 -2.662 553 2HG GLN 71 2HG GLN 71 -14.628 -6.567 -1.468 554 1HE2 GLN 71 1HE2 GLN 71 -14.116 -4.212 -2.608 555 2HE2 GLN 71 2HE2 GLN 71 -15.576 -3.355 -2.954 556 H ARG 72 H ARG 72 -10.582 -6.894 -3.910 557 HA ARG 72 HA ARG 72 -10.621 -8.748 -6.162 558 1HB ARG 72 1HB ARG 72 -9.260 -6.168 -5.588 559 2HB ARG 72 2HB ARG 72 -8.456 -7.285 -6.679 560 1HG ARG 72 1HG ARG 72 -9.770 -5.729 -7.950 561 2HG ARG 72 2HG ARG 72 -10.475 -7.341 -8.083 562 1HD ARG 72 1HD ARG 72 -12.406 -6.630 -7.241 563 2HD ARG 72 2HD ARG 72 -11.595 -5.934 -5.837 564 HE ARG 72 HE ARG 72 -12.611 -4.522 -8.073 565 1HH1 ARG 72 1HH1 ARG 72 -9.971 -4.544 -5.798 566 2HH1 ARG 72 2HH1 ARG 72 -9.680 -2.846 -5.922 567 1HH2 ARG 72 1HH2 ARG 72 -12.226 -2.283 -8.250 568 2HH2 ARG 72 2HH2 ARG 72 -10.952 -1.560 -7.326 569 H HIS 73 H HIS 73 -8.901 -8.084 -3.238 570 HA HIS 73 HA HIS 73 -7.486 -10.597 -3.461 571 1HB HIS 73 1HB HIS 73 -5.875 -8.083 -2.994 572 2HB HIS 73 2HB HIS 73 -5.274 -9.721 -3.248 573 HD1 HIS 73 HD1 HIS 73 -5.263 -10.614 -5.681 574 HD2 HIS 73 HD2 HIS 73 -6.573 -6.692 -5.303 575 HE1 HIS 73 HE1 HIS 73 -5.339 -9.703 -8.022 576 HE2 HIS 73 HE2 HIS 73 -6.353 -7.414 -7.776 577 HA PRO 74 HA PRO 74 -8.914 -9.582 0.804 578 1HB PRO 74 1HB PRO 74 -9.801 -12.078 1.379 579 2HB PRO 74 2HB PRO 74 -10.784 -10.877 0.536 580 1HG PRO 74 1HG PRO 74 -9.220 -13.168 -0.581 581 2HG PRO 74 2HG PRO 74 -10.837 -12.593 -1.025 582 1HD PRO 74 1HD PRO 74 -8.613 -12.014 -2.473 583 2HD PRO 74 2HD PRO 74 -10.010 -10.925 -2.372 584 H MET 75 H MET 75 -6.175 -10.370 -0.132 585 HA MET 75 HA MET 75 -5.296 -11.591 2.361 586 1HB MET 75 1HB MET 75 -4.342 -12.557 -0.331 587 2HB MET 75 2HB MET 75 -3.806 -13.145 1.235 588 1HG MET 75 1HG MET 75 -6.656 -13.353 1.043 589 2HG MET 75 2HG MET 75 -5.899 -14.119 -0.349 590 1HE MET 75 1HE MET 75 -6.917 -16.742 2.643 591 2HE MET 75 2HE MET 75 -7.417 -16.219 1.034 592 3HE MET 75 3HE MET 75 -7.612 -15.137 2.414 593 H LEU 76 H LEU 76 -4.499 -9.924 -0.592 594 HA LEU 76 HA LEU 76 -1.853 -9.318 -0.258 595 1HB LEU 76 1HB LEU 76 -3.087 -8.771 -2.264 596 2HB LEU 76 2HB LEU 76 -4.034 -7.579 -1.393 597 HG LEU 76 HG LEU 76 -1.632 -6.543 -0.925 598 1HD1 LEU 76 1HD1 LEU 76 0.033 -7.131 -2.303 599 2HD1 LEU 76 2HD1 LEU 76 -1.045 -7.345 -3.682 600 3HD1 LEU 76 3HD1 LEU 76 -0.878 -8.630 -2.485 601 1HD2 LEU 76 1HD2 LEU 76 -3.567 -6.228 -3.141 602 2HD2 LEU 76 2HD2 LEU 76 -2.006 -5.427 -3.317 603 3HD2 LEU 76 3HD2 LEU 76 -3.030 -5.067 -1.927 604 HA PRO 77 HA PRO 77 -1.784 -6.720 3.378 605 1HB PRO 77 1HB PRO 77 0.831 -6.012 3.232 606 2HB PRO 77 2HB PRO 77 0.300 -7.593 3.800 607 1HG PRO 77 1HG PRO 77 1.395 -6.805 1.149 608 2HG PRO 77 2HG PRO 77 1.671 -8.285 2.078 609 1HD PRO 77 1HD PRO 77 -0.038 -8.106 -0.055 610 2HD PRO 77 2HD PRO 77 -0.208 -9.288 1.256 611 H VAL 78 H VAL 78 -2.579 -4.711 3.417 612 HA VAL 78 HA VAL 78 -1.681 -2.781 1.391 613 HB VAL 78 HB VAL 78 -4.163 -2.451 3.053 614 1HG1 VAL 78 1HG1 VAL 78 -4.357 -1.383 0.440 615 2HG1 VAL 78 2HG1 VAL 78 -2.801 -0.897 1.107 616 3HG1 VAL 78 3HG1 VAL 78 -4.288 -0.530 1.977 617 1HG2 VAL 78 1HG2 VAL 78 -3.863 -4.585 1.354 618 2HG2 VAL 78 2HG2 VAL 78 -4.576 -3.367 0.299 619 3HG2 VAL 78 3HG2 VAL 78 -5.401 -3.838 1.784 620 H ILE 79 H ILE 79 -1.002 -0.772 1.980 621 HA ILE 79 HA ILE 79 -0.880 -0.144 4.848 622 HB ILE 79 HB ILE 79 1.414 0.413 2.993 623 1HG1 ILE 79 1HG1 ILE 79 1.766 -1.686 5.027 624 2HG1 ILE 79 2HG1 ILE 79 0.729 -2.125 3.672 625 1HG2 ILE 79 1HG2 ILE 79 1.980 0.125 5.819 626 2HG2 ILE 79 2HG2 ILE 79 0.770 1.374 5.504 627 3HG2 ILE 79 3HG2 ILE 79 2.347 1.459 4.720 628 1HD1 ILE 79 1HD1 ILE 79 2.648 -2.708 2.712 629 2HD1 ILE 79 2HD1 ILE 79 3.618 -1.687 3.770 630 3HD1 ILE 79 3HD1 ILE 79 2.798 -0.982 2.370 631 H ILE 80 H ILE 80 -1.995 1.669 5.083 632 HA ILE 80 HA ILE 80 -2.138 3.552 2.870 633 HB ILE 80 HB ILE 80 -3.603 3.732 5.498 634 1HG1 ILE 80 1HG1 ILE 80 -4.058 1.545 4.550 635 2HG1 ILE 80 2HG1 ILE 80 -5.464 2.581 4.347 636 1HG2 ILE 80 1HG2 ILE 80 -3.735 5.119 2.901 637 2HG2 ILE 80 2HG2 ILE 80 -4.074 5.701 4.527 638 3HG2 ILE 80 3HG2 ILE 80 -5.270 4.732 3.677 639 1HD1 ILE 80 1HD1 ILE 80 -5.147 2.786 2.068 640 2HD1 ILE 80 2HD1 ILE 80 -4.716 1.111 2.389 641 3HD1 ILE 80 3HD1 ILE 80 -3.453 2.311 2.162 642 H MET 81 H MET 81 -1.362 5.568 2.854 643 HA MET 81 HA MET 81 0.615 6.242 4.859 644 1HB MET 81 1HB MET 81 0.873 8.303 3.267 645 2HB MET 81 2HB MET 81 1.492 6.729 2.807 646 1HG MET 81 1HG MET 81 -1.224 7.018 1.926 647 2HG MET 81 2HG MET 81 -0.248 8.375 1.374 648 1HE MET 81 1HE MET 81 2.519 7.222 1.226 649 2HE MET 81 2HE MET 81 2.040 7.974 -0.286 650 3HE MET 81 3HE MET 81 2.749 6.362 -0.293 651 H THR 82 H THR 82 -2.645 6.812 4.634 652 HA THR 82 HA THR 82 -2.423 9.010 6.530 653 HB THR 82 HB THR 82 -4.343 9.306 4.230 654 HG1 THR 82 HG1 THR 82 -2.839 10.224 3.032 655 1HG2 THR 82 1HG2 THR 82 -4.342 11.607 4.762 656 2HG2 THR 82 2HG2 THR 82 -3.007 11.409 5.897 657 3HG2 THR 82 3HG2 THR 82 -4.589 10.724 6.268 658 H ALA 83 H ALA 83 -4.173 9.100 8.002 659 HA ALA 83 HA ALA 83 -6.425 7.303 7.512 660 1HB ALA 83 1HB ALA 83 -4.341 6.391 9.024 661 2HB ALA 83 2HB ALA 83 -6.004 5.793 9.085 662 3HB ALA 83 3HB ALA 83 -5.457 7.008 10.244 663 H HIS 84 H HIS 84 -7.008 9.776 7.284 664 HA HIS 84 HA HIS 84 -7.690 10.907 9.896 665 1HB HIS 84 1HB HIS 84 -8.160 12.982 8.668 666 2HB HIS 84 2HB HIS 84 -6.533 12.392 8.348 667 HD1 HIS 84 HD1 HIS 84 -9.947 12.519 6.719 668 HD2 HIS 84 HD2 HIS 84 -5.955 12.028 5.709 669 HE1 HIS 84 HE1 HIS 84 -9.880 12.539 4.209 670 HE2 HIS 84 HE2 HIS 84 -7.476 12.092 3.621 671 H SER 85 H SER 85 -9.182 9.374 7.169 672 HA SER 85 HA SER 85 -11.819 10.394 7.781 673 1HB SER 85 1HB SER 85 -11.604 8.055 5.997 674 2HB SER 85 2HB SER 85 -12.456 9.579 5.769 675 HG SER 85 HG SER 85 -10.303 10.505 5.450 676 H ASP 86 H ASP 86 -13.430 8.216 7.374 677 HA ASP 86 HA ASP 86 -13.775 7.195 9.918 678 1HB ASP 86 1HB ASP 86 -14.720 6.191 7.238 679 2HB ASP 86 2HB ASP 86 -15.230 5.463 8.758 680 H LEU 87 H LEU 87 -12.058 6.229 10.879 681 HA LEU 87 HA LEU 87 -10.200 4.490 9.817 682 1HB LEU 87 1HB LEU 87 -10.789 5.504 12.312 683 2HB LEU 87 2HB LEU 87 -11.027 3.781 12.533 684 HG LEU 87 HG LEU 87 -8.762 4.509 13.155 685 1HD1 LEU 87 1HD1 LEU 87 -9.479 2.304 11.653 686 2HD1 LEU 87 2HD1 LEU 87 -7.974 2.521 12.547 687 3HD1 LEU 87 3HD1 LEU 87 -8.047 2.927 10.833 688 1HD2 LEU 87 1HD2 LEU 87 -7.387 4.874 10.832 689 2HD2 LEU 87 2HD2 LEU 87 -7.914 6.165 11.910 690 3HD2 LEU 87 3HD2 LEU 87 -8.886 5.741 10.501 691 H ASP 88 H ASP 88 -13.514 3.909 10.513 692 HA ASP 88 HA ASP 88 -13.685 1.240 11.064 693 1HB ASP 88 1HB ASP 88 -15.540 3.013 10.753 694 2HB ASP 88 2HB ASP 88 -15.550 2.494 9.070 695 H ALA 89 H ALA 89 -13.326 2.674 7.808 696 HA ALA 89 HA ALA 89 -13.493 0.215 6.433 697 1HB ALA 89 1HB ALA 89 -12.369 2.890 5.680 698 2HB ALA 89 2HB ALA 89 -13.851 2.118 5.118 699 3HB ALA 89 3HB ALA 89 -12.283 1.504 4.592 700 H ALA 90 H ALA 90 -10.999 1.665 8.273 701 HA ALA 90 HA ALA 90 -8.785 0.350 7.040 702 1HB ALA 90 1HB ALA 90 -7.514 1.096 8.972 703 2HB ALA 90 2HB ALA 90 -9.005 1.520 9.809 704 3HB ALA 90 3HB ALA 90 -8.526 2.405 8.362 705 H VAL 91 H VAL 91 -11.048 -0.435 9.598 706 HA VAL 91 HA VAL 91 -9.610 -2.590 10.712 707 HB VAL 91 HB VAL 91 -12.611 -2.371 10.678 708 1HG1 VAL 91 1HG1 VAL 91 -11.926 -3.324 13.102 709 2HG1 VAL 91 2HG1 VAL 91 -10.594 -3.960 12.133 710 3HG1 VAL 91 3HG1 VAL 91 -12.262 -4.353 11.708 711 1HG2 VAL 91 1HG2 VAL 91 -11.610 -1.333 13.089 712 2HG2 VAL 91 2HG2 VAL 91 -12.452 -0.458 11.810 713 3HG2 VAL 91 3HG2 VAL 91 -10.691 -0.549 11.803 714 H SER 92 H SER 92 -12.043 -2.438 8.130 715 HA SER 92 HA SER 92 -12.222 -5.226 7.734 716 1HB SER 92 1HB SER 92 -12.646 -3.066 5.655 717 2HB SER 92 2HB SER 92 -13.250 -4.726 5.594 718 HG SER 92 HG SER 92 -13.918 -2.956 7.700 719 H ALA 93 H ALA 93 -9.793 -2.936 6.978 720 HA ALA 93 HA ALA 93 -8.603 -4.227 4.768 721 1HB ALA 93 1HB ALA 93 -7.107 -2.581 6.779 722 2HB ALA 93 2HB ALA 93 -8.194 -1.851 5.596 723 3HB ALA 93 3HB ALA 93 -6.788 -2.768 5.055 724 H TYR 94 H TYR 94 -8.067 -4.376 8.230 725 HA TYR 94 HA TYR 94 -5.943 -6.246 8.141 726 1HB TYR 94 1HB TYR 94 -7.854 -6.058 10.453 727 2HB TYR 94 2HB TYR 94 -6.122 -6.371 10.477 728 HD1 TYR 94 HD1 TYR 94 -8.371 -4.083 11.518 729 HD2 TYR 94 HD2 TYR 94 -4.869 -4.248 9.105 730 HE1 TYR 94 HE1 TYR 94 -7.950 -1.701 11.970 731 HE2 TYR 94 HE2 TYR 94 -4.443 -1.869 9.551 732 HH TYR 94 HH TYR 94 -5.727 -0.188 11.965 733 H GLN 95 H GLN 95 -9.352 -6.494 7.849 734 HA GLN 95 HA GLN 95 -9.650 -9.227 8.560 735 1HB GLN 95 1HB GLN 95 -11.655 -8.079 8.639 736 2HB GLN 95 2HB GLN 95 -11.324 -7.179 7.171 737 1HG GLN 95 1HG GLN 95 -11.822 -10.121 7.050 738 2HG GLN 95 2HG GLN 95 -13.166 -8.986 7.181 739 1HE2 GLN 95 1HE2 GLN 95 -12.499 -6.930 5.633 740 2HE2 GLN 95 2HE2 GLN 95 -12.258 -7.433 3.999 741 H GLN 96 H GLN 96 -8.915 -7.538 5.552 742 HA GLN 96 HA GLN 96 -8.977 -9.993 4.034 743 1HB GLN 96 1HB GLN 96 -8.391 -8.631 2.109 744 2HB GLN 96 2HB GLN 96 -9.748 -7.918 2.969 745 1HG GLN 96 1HG GLN 96 -8.563 -6.036 2.720 746 2HG GLN 96 2HG GLN 96 -7.712 -6.625 4.138 747 1HE2 GLN 96 1HE2 GLN 96 -5.831 -5.533 3.578 748 2HE2 GLN 96 2HE2 GLN 96 -4.813 -6.058 2.287 749 H GLY 97 H GLY 97 -6.723 -8.188 5.861 750 1HA GLY 97 1HA GLY 97 -4.685 -9.495 6.397 751 2HA GLY 97 2HA GLY 97 -4.522 -9.758 4.669 752 H ALA 98 H ALA 98 -5.552 -6.615 5.732 753 HA ALA 98 HA ALA 98 -3.346 -5.360 4.502 754 1HB ALA 98 1HB ALA 98 -5.740 -4.443 5.089 755 2HB ALA 98 2HB ALA 98 -4.357 -3.359 4.977 756 3HB ALA 98 3HB ALA 98 -4.928 -3.899 6.555 757 H PHE 99 H PHE 99 -1.624 -4.116 5.499 758 HA PHE 99 HA PHE 99 -0.598 -5.463 7.813 759 1HB PHE 99 1HB PHE 99 0.857 -4.827 5.890 760 2HB PHE 99 2HB PHE 99 0.645 -3.138 6.348 761 HD1 PHE 99 HD1 PHE 99 1.521 -6.363 8.002 762 HD2 PHE 99 HD2 PHE 99 2.352 -2.206 7.580 763 HE1 PHE 99 HE1 PHE 99 3.364 -6.573 9.611 764 HE2 PHE 99 HE2 PHE 99 4.206 -2.424 9.194 765 HZ PHE 99 HZ PHE 99 4.713 -4.605 10.207 766 H ASP 100 H ASP 100 -1.302 -2.029 7.063 767 HA ASP 100 HA ASP 100 -2.536 -1.441 9.481 768 1HB ASP 100 1HB ASP 100 -0.680 -0.213 10.663 769 2HB ASP 100 2HB ASP 100 -0.508 -1.962 10.649 770 H TYR 101 H TYR 101 -1.844 1.095 10.076 771 HA TYR 101 HA TYR 101 -2.076 2.530 7.513 772 1HB TYR 101 1HB TYR 101 -3.678 2.721 10.001 773 2HB TYR 101 2HB TYR 101 -3.264 4.251 9.232 774 HD1 TYR 101 HD1 TYR 101 -4.712 0.905 8.397 775 HD2 TYR 101 HD2 TYR 101 -4.614 5.073 7.566 776 HE1 TYR 101 HE1 TYR 101 -6.579 0.632 6.817 777 HE2 TYR 101 HE2 TYR 101 -6.476 4.812 5.991 778 HH TYR 101 HH TYR 101 -7.633 3.234 4.747 779 H LEU 102 H LEU 102 -0.565 3.974 7.127 780 HA LEU 102 HA LEU 102 1.229 4.811 9.295 781 1HB LEU 102 1HB LEU 102 2.314 3.728 7.437 782 2HB LEU 102 2HB LEU 102 1.537 4.790 6.293 783 HG LEU 102 HG LEU 102 2.839 6.665 7.586 784 1HD1 LEU 102 1HD1 LEU 102 4.857 4.515 7.974 785 2HD1 LEU 102 2HD1 LEU 102 3.621 4.748 9.211 786 3HD1 LEU 102 3HD1 LEU 102 4.698 6.076 8.779 787 1HD2 LEU 102 1HD2 LEU 102 4.726 5.085 5.973 788 2HD2 LEU 102 2HD2 LEU 102 4.169 6.746 5.771 789 3HD2 LEU 102 3HD2 LEU 102 3.170 5.407 5.207 790 HA PRO 103 HA PRO 103 -0.516 8.898 9.241 791 1HB PRO 103 1HB PRO 103 1.746 10.311 9.946 792 2HB PRO 103 2HB PRO 103 0.697 9.478 11.092 793 1HG PRO 103 1HG PRO 103 3.272 8.562 9.873 794 2HG PRO 103 2HG PRO 103 2.710 8.409 11.549 795 1HD PRO 103 1HD PRO 103 2.599 6.338 9.863 796 2HD PRO 103 2HD PRO 103 1.305 6.625 11.044 797 H LYS 104 H LYS 104 -0.023 11.090 8.212 798 HA LYS 104 HA LYS 104 0.155 10.925 5.520 799 1HB LYS 104 1HB LYS 104 -0.513 12.960 6.738 800 2HB LYS 104 2HB LYS 104 1.177 13.274 7.112 801 1HG LYS 104 1HG LYS 104 0.347 14.609 5.217 802 2HG LYS 104 2HG LYS 104 1.696 13.559 4.780 803 1HD LYS 104 1HD LYS 104 -0.732 12.121 4.368 804 2HD LYS 104 2HD LYS 104 -0.888 13.704 3.608 805 1HE LYS 104 1HE LYS 104 0.957 13.344 2.210 806 2HE LYS 104 2HE LYS 104 1.551 12.007 3.188 807 1HZ LYS 104 1HZ LYS 104 -0.761 12.035 1.349 808 2HZ LYS 104 2HZ LYS 104 -0.562 10.821 2.508 809 3HZ LYS 104 3HZ LYS 104 0.601 11.034 1.295 810 HA PRO 105 HA PRO 105 5.032 11.930 5.778 811 1HB PRO 105 1HB PRO 105 5.410 9.939 7.983 812 2HB PRO 105 2HB PRO 105 6.359 11.381 7.599 813 1HG PRO 105 1HG PRO 105 4.628 11.415 9.615 814 2HG PRO 105 2HG PRO 105 4.799 12.821 8.547 815 1HD PRO 105 1HD PRO 105 2.632 10.786 8.667 816 2HD PRO 105 2HD PRO 105 2.535 12.509 8.265 817 H PHE 106 H PHE 106 6.636 10.387 4.861 818 HA PHE 106 HA PHE 106 5.941 7.642 4.574 819 1HB PHE 106 1HB PHE 106 4.337 9.114 3.076 820 2HB PHE 106 2HB PHE 106 5.699 9.085 1.969 821 HD1 PHE 106 HD1 PHE 106 3.456 6.872 3.924 822 HD2 PHE 106 HD2 PHE 106 6.012 7.286 0.550 823 HE1 PHE 106 HE1 PHE 106 2.723 4.670 3.101 824 HE2 PHE 106 HE2 PHE 106 5.281 5.096 -0.279 825 HZ PHE 106 HZ PHE 106 3.631 3.790 0.987 826 H ASP 107 H ASP 107 7.276 9.426 1.837 827 HA ASP 107 HA ASP 107 9.280 9.132 0.773 828 1HB ASP 107 1HB ASP 107 11.178 9.962 2.015 829 2HB ASP 107 2HB ASP 107 9.757 10.895 2.476 830 H ILE 108 H ILE 108 11.696 8.072 1.343 831 HA ILE 108 HA ILE 108 11.152 5.299 1.321 832 HB ILE 108 HB ILE 108 13.556 6.959 1.083 833 1HG1 ILE 108 1HG1 ILE 108 13.948 5.721 -0.863 834 2HG1 ILE 108 2HG1 ILE 108 13.020 4.345 -0.279 835 1HG2 ILE 108 1HG2 ILE 108 14.548 5.671 2.735 836 2HG2 ILE 108 2HG2 ILE 108 14.983 4.821 1.252 837 3HG2 ILE 108 3HG2 ILE 108 13.672 4.219 2.258 838 1HD1 ILE 108 1HD1 ILE 108 10.979 5.519 -0.603 839 2HD1 ILE 108 2HD1 ILE 108 11.923 5.615 -2.079 840 3HD1 ILE 108 3HD1 ILE 108 11.830 7.000 -0.999 841 H ASP 109 H ASP 109 12.637 7.401 3.680 842 HA ASP 109 HA ASP 109 13.365 5.573 5.588 843 1HB ASP 109 1HB ASP 109 13.410 8.269 5.453 844 2HB ASP 109 2HB ASP 109 12.131 8.043 6.643 845 H GLU 110 H GLU 110 10.238 7.324 5.581 846 HA GLU 110 HA GLU 110 9.207 5.638 7.625 847 1HB GLU 110 1HB GLU 110 7.693 7.628 5.945 848 2HB GLU 110 2HB GLU 110 7.206 6.971 7.498 849 1HG GLU 110 1HG GLU 110 9.801 8.380 7.394 850 2HG GLU 110 2HG GLU 110 8.346 9.358 7.214 851 H ALA 111 H ALA 111 9.037 5.606 4.139 852 HA ALA 111 HA ALA 111 6.772 3.821 4.153 853 1HB ALA 111 1HB ALA 111 6.894 3.828 1.768 854 2HB ALA 111 2HB ALA 111 8.496 4.564 1.804 855 3HB ALA 111 3HB ALA 111 7.088 5.481 2.348 856 H VAL 112 H VAL 112 10.195 3.565 3.178 857 HA VAL 112 HA VAL 112 10.147 0.810 2.680 858 HB VAL 112 HB VAL 112 12.503 2.393 3.695 859 1HG1 VAL 112 1HG1 VAL 112 13.748 0.566 3.382 860 2HG1 VAL 112 2HG1 VAL 112 13.006 0.235 1.816 861 3HG1 VAL 112 3HG1 VAL 112 12.229 -0.329 3.297 862 1HG2 VAL 112 1HG2 VAL 112 12.881 2.162 1.022 863 2HG2 VAL 112 2HG2 VAL 112 12.171 3.572 1.806 864 3HG2 VAL 112 3HG2 VAL 112 11.128 2.342 1.097 865 H ALA 113 H ALA 113 10.439 2.655 5.589 866 HA ALA 113 HA ALA 113 11.376 0.680 7.353 867 1HB ALA 113 1HB ALA 113 10.524 3.335 7.522 868 2HB ALA 113 2HB ALA 113 11.189 2.352 8.826 869 3HB ALA 113 3HB ALA 113 9.443 2.437 8.580 870 H LEU 114 H LEU 114 8.130 1.772 6.560 871 HA LEU 114 HA LEU 114 6.805 -0.232 8.071 872 1HB LEU 114 1HB LEU 114 5.906 2.025 7.623 873 2HB LEU 114 2HB LEU 114 5.732 1.591 5.933 874 HG LEU 114 HG LEU 114 4.042 -0.043 6.461 875 1HD1 LEU 114 1HD1 LEU 114 3.214 -0.171 8.846 876 2HD1 LEU 114 2HD1 LEU 114 4.733 0.598 9.312 877 3HD1 LEU 114 3HD1 LEU 114 4.750 -0.966 8.500 878 1HD2 LEU 114 1HD2 LEU 114 3.541 2.523 7.946 879 2HD2 LEU 114 2HD2 LEU 114 2.315 1.422 7.317 880 3HD2 LEU 114 3HD2 LEU 114 3.370 2.296 6.205 881 H VAL 115 H VAL 115 8.071 -0.153 4.859 882 HA VAL 115 HA VAL 115 6.258 -2.132 3.849 883 HB VAL 115 HB VAL 115 7.453 -0.403 2.415 884 1HG1 VAL 115 1HG1 VAL 115 9.723 -0.935 3.333 885 2HG1 VAL 115 2HG1 VAL 115 9.622 -0.885 1.578 886 3HG1 VAL 115 3HG1 VAL 115 9.672 -2.435 2.417 887 1HG2 VAL 115 1HG2 VAL 115 7.075 -1.680 0.571 888 2HG2 VAL 115 2HG2 VAL 115 6.248 -2.652 1.782 889 3HG2 VAL 115 3HG2 VAL 115 7.865 -3.102 1.249 890 H GLU 116 H GLU 116 9.674 -2.168 4.830 891 HA GLU 116 HA GLU 116 10.128 -4.879 4.285 892 1HB GLU 116 1HB GLU 116 11.429 -3.061 6.318 893 2HB GLU 116 2HB GLU 116 12.030 -4.657 5.886 894 1HG GLU 116 1HG GLU 116 11.787 -3.470 3.446 895 2HG GLU 116 2HG GLU 116 12.254 -2.113 4.469 896 H ARG 117 H ARG 117 9.075 -3.264 7.270 897 HA ARG 117 HA ARG 117 8.974 -5.598 8.842 898 1HB ARG 117 1HB ARG 117 7.632 -4.298 10.404 899 2HB ARG 117 2HB ARG 117 8.987 -3.346 9.818 900 1HG ARG 117 1HG ARG 117 7.612 -2.009 8.476 901 2HG ARG 117 2HG ARG 117 6.261 -3.139 8.588 902 1HD ARG 117 1HD ARG 117 5.815 -1.239 9.995 903 2HD ARG 117 2HD ARG 117 6.108 -2.647 11.011 904 HE ARG 117 HE ARG 117 8.520 -1.591 10.999 905 1HH1 ARG 117 1HH1 ARG 117 5.437 0.030 11.301 906 2HH1 ARG 117 2HH1 ARG 117 6.072 1.319 12.266 907 1HH2 ARG 117 1HH2 ARG 117 9.348 0.104 12.273 908 2HH2 ARG 117 2HH2 ARG 117 8.288 1.360 12.819 909 H ALA 118 H ALA 118 6.877 -4.329 6.434 910 HA ALA 118 HA ALA 118 4.511 -5.689 7.226 911 1HB ALA 118 1HB ALA 118 5.388 -4.203 4.807 912 2HB ALA 118 2HB ALA 118 3.995 -3.935 5.853 913 3HB ALA 118 3HB ALA 118 3.980 -5.257 4.685 914 H ILE 119 H ILE 119 6.978 -6.324 4.751 915 HA ILE 119 HA ILE 119 5.878 -8.764 3.863 916 HB ILE 119 HB ILE 119 8.777 -7.953 3.737 917 1HG1 ILE 119 1HG1 ILE 119 7.003 -7.477 1.415 918 2HG1 ILE 119 2HG1 ILE 119 6.770 -6.405 2.792 919 1HG2 ILE 119 1HG2 ILE 119 7.099 -9.902 2.188 920 2HG2 ILE 119 2HG2 ILE 119 8.590 -10.200 3.082 921 3HG2 ILE 119 3HG2 ILE 119 8.632 -9.281 1.576 922 1HD1 ILE 119 1HD1 ILE 119 8.340 -5.540 1.090 923 2HD1 ILE 119 2HD1 ILE 119 9.416 -6.891 1.455 924 3HD1 ILE 119 3HD1 ILE 119 9.047 -5.694 2.699 925 H SER 120 H SER 120 8.019 -7.913 6.448 926 HA SER 120 HA SER 120 9.025 -10.495 7.013 927 1HB SER 120 1HB SER 120 8.914 -7.895 8.490 928 2HB SER 120 2HB SER 120 9.370 -9.358 9.363 929 HG SER 120 HG SER 120 11.175 -8.242 8.462 930 H HIS 121 H HIS 121 6.311 -8.624 8.314 931 HA HIS 121 HA HIS 121 5.543 -10.456 10.294 932 1HB HIS 121 1HB HIS 121 4.212 -8.195 8.883 933 2HB HIS 121 2HB HIS 121 3.207 -9.294 9.822 934 HD1 HIS 121 HD1 HIS 121 6.387 -7.264 10.378 935 HD2 HIS 121 HD2 HIS 121 2.981 -8.524 12.398 936 HE1 HIS 121 HE1 HIS 121 6.521 -6.198 12.651 937 HE2 HIS 121 HE2 HIS 121 4.489 -7.036 13.883 938 H TYR 122 H TYR 122 4.900 -10.322 6.887 939 HA TYR 122 HA TYR 122 2.884 -12.370 7.005 940 1HB TYR 122 1HB TYR 122 3.776 -10.438 5.059 941 2HB TYR 122 2HB TYR 122 3.652 -12.038 4.335 942 HD1 TYR 122 HD1 TYR 122 1.407 -13.325 5.244 943 HD2 TYR 122 HD2 TYR 122 1.893 -9.121 4.801 944 HE1 TYR 122 HE1 TYR 122 -1.030 -13.069 5.070 945 HE2 TYR 122 HE2 TYR 122 -0.550 -8.859 4.629 946 HH TYR 122 HH TYR 122 -2.678 -11.571 4.312 947 H GLN 123 H GLN 123 6.154 -12.056 5.635 948 HA GLN 123 HA GLN 123 7.746 -13.605 5.139 949 1HB GLN 123 1HB GLN 123 6.726 -14.283 7.629 950 2HB GLN 123 2HB GLN 123 6.707 -15.799 6.742 951 1HG GLN 123 1HG GLN 123 9.185 -14.286 6.439 952 2HG GLN 123 2HG GLN 123 8.840 -14.775 8.097 953 1HE2 GLN 123 1HE2 GLN 123 10.906 -15.665 6.195 954 2HE2 GLN 123 2HE2 GLN 123 10.728 -17.381 6.088 955 H GLU 124 H GLU 124 8.024 -16.026 4.445 956 HA GLU 124 HA GLU 124 7.571 -17.616 2.884 957 1HB GLU 124 1HB GLU 124 4.902 -17.145 4.146 958 2HB GLU 124 2HB GLU 124 4.992 -18.154 2.708 959 1HG GLU 124 1HG GLU 124 6.080 -19.832 3.778 960 2HG GLU 124 2HG GLU 124 6.889 -18.742 4.904 Start of MODEL 16 1 1H MET 1 1H MET 1 10.513 -18.652 -0.904 2 2H MET 1 2H MET 1 9.838 -17.111 -0.568 3 3H MET 1 3H MET 1 11.059 -17.756 0.451 4 HA MET 1 HA MET 1 12.222 -16.293 -0.782 5 1HB MET 1 1HB MET 1 12.266 -18.903 -2.312 6 2HB MET 1 2HB MET 1 13.511 -17.665 -2.393 7 1HG MET 1 1HG MET 1 13.565 -18.018 0.211 8 2HG MET 1 2HG MET 1 12.877 -19.584 -0.216 9 1HE MET 1 1HE MET 1 15.175 -20.910 0.820 10 2HE MET 1 2HE MET 1 15.881 -21.594 -0.645 11 3HE MET 1 3HE MET 1 14.128 -21.470 -0.483 12 H GLN 2 H GLN 2 10.945 -14.675 -1.673 13 HA GLN 2 HA GLN 2 10.113 -15.114 -4.467 14 1HB GLN 2 1HB GLN 2 8.730 -13.858 -2.189 15 2HB GLN 2 2HB GLN 2 8.656 -12.943 -3.688 16 1HG GLN 2 1HG GLN 2 8.020 -15.364 -4.628 17 2HG GLN 2 2HG GLN 2 7.426 -15.527 -2.976 18 1HE2 GLN 2 1HE2 GLN 2 7.492 -12.877 -5.339 19 2HE2 GLN 2 2HE2 GLN 2 5.801 -12.533 -5.255 20 H ARG 3 H ARG 3 10.340 -13.320 -5.915 21 HA ARG 3 HA ARG 3 12.794 -12.021 -5.763 22 1HB ARG 3 1HB ARG 3 11.901 -10.585 -7.634 23 2HB ARG 3 2HB ARG 3 11.803 -12.320 -7.905 24 1HG ARG 3 1HG ARG 3 9.382 -11.851 -6.794 25 2HG ARG 3 2HG ARG 3 9.674 -10.329 -7.624 26 1HD ARG 3 1HD ARG 3 10.408 -12.045 -9.552 27 2HD ARG 3 2HD ARG 3 9.200 -13.020 -8.721 28 HE ARG 3 HE ARG 3 7.576 -11.322 -9.192 29 1HH1 ARG 3 1HH1 ARG 3 10.624 -10.912 -10.860 30 2HH1 ARG 3 2HH1 ARG 3 9.959 -9.862 -12.062 31 1HH2 ARG 3 1HH2 ARG 3 6.715 -9.935 -10.770 32 2HH2 ARG 3 2HH2 ARG 3 7.745 -9.306 -12.012 33 H GLY 4 H GLY 4 9.629 -11.006 -4.733 34 1HA GLY 4 1HA GLY 4 9.230 -9.450 -3.002 35 2HA GLY 4 2HA GLY 4 10.845 -8.798 -3.249 36 H ILE 5 H ILE 5 7.574 -8.316 -3.773 37 HA ILE 5 HA ILE 5 8.153 -6.200 -5.741 38 HB ILE 5 HB ILE 5 5.548 -7.688 -5.658 39 1HG1 ILE 5 1HG1 ILE 5 7.081 -9.430 -6.149 40 2HG1 ILE 5 2HG1 ILE 5 6.422 -8.924 -7.699 41 1HG2 ILE 5 1HG2 ILE 5 6.423 -5.400 -7.006 42 2HG2 ILE 5 2HG2 ILE 5 4.926 -6.295 -7.269 43 3HG2 ILE 5 3HG2 ILE 5 6.358 -6.675 -8.225 44 1HD1 ILE 5 1HD1 ILE 5 9.144 -8.940 -6.757 45 2HD1 ILE 5 2HD1 ILE 5 8.677 -7.361 -7.381 46 3HD1 ILE 5 3HD1 ILE 5 8.517 -8.792 -8.397 47 H VAL 6 H VAL 6 7.855 -4.297 -4.761 48 HA VAL 6 HA VAL 6 5.686 -4.052 -2.786 49 HB VAL 6 HB VAL 6 7.996 -3.414 -2.038 50 1HG1 VAL 6 1HG1 VAL 6 8.770 -1.136 -2.826 51 2HG1 VAL 6 2HG1 VAL 6 7.646 -1.321 -4.167 52 3HG1 VAL 6 3HG1 VAL 6 8.964 -2.468 -3.962 53 1HG2 VAL 6 1HG2 VAL 6 5.625 -2.309 -1.401 54 2HG2 VAL 6 2HG2 VAL 6 6.501 -0.876 -1.938 55 3HG2 VAL 6 3HG2 VAL 6 7.148 -1.867 -0.632 56 H TRP 7 H TRP 7 3.940 -2.890 -3.296 57 HA TRP 7 HA TRP 7 4.097 -1.187 -5.691 58 1HB TRP 7 1HB TRP 7 1.959 -3.022 -4.676 59 2HB TRP 7 2HB TRP 7 1.521 -1.653 -5.695 60 HD1 TRP 7 HD1 TRP 7 4.842 -3.180 -6.540 61 HE1 TRP 7 HE1 TRP 7 4.664 -4.515 -8.721 62 HE3 TRP 7 HE3 TRP 7 -0.248 -3.245 -7.033 63 HZ2 TRP 7 HZ2 TRP 7 2.642 -5.496 -10.416 64 HZ3 TRP 7 HZ3 TRP 7 -1.220 -4.417 -8.968 65 HH2 TRP 7 HH2 TRP 7 0.200 -5.520 -10.620 66 H VAL 8 H VAL 8 3.538 0.903 -5.517 67 HA VAL 8 HA VAL 8 2.345 1.768 -2.964 68 HB VAL 8 HB VAL 8 4.135 3.707 -4.261 69 1HG1 VAL 8 1HG1 VAL 8 3.123 3.062 -1.645 70 2HG1 VAL 8 2HG1 VAL 8 3.834 4.563 -2.239 71 3HG1 VAL 8 3HG1 VAL 8 4.873 3.284 -1.603 72 1HG2 VAL 8 1HG2 VAL 8 5.821 2.271 -4.661 73 2HG2 VAL 8 2HG2 VAL 8 5.120 1.002 -3.654 74 3HG2 VAL 8 3HG2 VAL 8 6.045 2.304 -2.910 75 H VAL 9 H VAL 9 0.853 3.343 -3.004 76 HA VAL 9 HA VAL 9 0.248 4.618 -5.591 77 HB VAL 9 HB VAL 9 -2.081 4.215 -3.841 78 1HG1 VAL 9 1HG1 VAL 9 -2.666 3.188 -6.346 79 2HG1 VAL 9 2HG1 VAL 9 -1.413 4.404 -6.667 80 3HG1 VAL 9 3HG1 VAL 9 -2.872 4.867 -5.827 81 1HG2 VAL 9 1HG2 VAL 9 -2.279 1.952 -3.851 82 2HG2 VAL 9 2HG2 VAL 9 -0.521 2.046 -3.838 83 3HG2 VAL 9 3HG2 VAL 9 -1.366 1.787 -5.342 84 H ASP 10 H ASP 10 0.868 6.671 -5.265 85 HA ASP 10 HA ASP 10 -0.533 8.543 -3.877 86 1HB ASP 10 1HB ASP 10 0.046 7.447 -1.769 87 2HB ASP 10 2HB ASP 10 1.763 7.576 -2.142 88 H ASP 11 H ASP 11 -0.002 10.304 -4.961 89 HA ASP 11 HA ASP 11 1.174 11.995 -5.906 90 1HB ASP 11 1HB ASP 11 2.917 11.012 -3.929 91 2HB ASP 11 2HB ASP 11 3.892 11.228 -5.380 92 H ASP 12 H ASP 12 2.191 8.703 -6.467 93 HA ASP 12 HA ASP 12 2.677 7.613 -8.394 94 1HB ASP 12 1HB ASP 12 0.987 9.393 -9.294 95 2HB ASP 12 2HB ASP 12 2.418 10.142 -9.992 96 H SER 13 H SER 13 4.026 9.477 -10.604 97 HA SER 13 HA SER 13 6.522 8.683 -10.631 98 1HB SER 13 1HB SER 13 5.444 10.382 -12.160 99 2HB SER 13 2HB SER 13 5.961 11.614 -11.010 100 HG SER 13 HG SER 13 8.097 11.005 -11.381 101 H SER 14 H SER 14 5.562 11.414 -8.615 102 HA SER 14 HA SER 14 8.045 12.066 -7.553 103 1HB SER 14 1HB SER 14 5.719 13.203 -7.225 104 2HB SER 14 2HB SER 14 5.586 12.138 -5.827 105 HG SER 14 HG SER 14 7.008 14.411 -6.109 106 H ILE 15 H ILE 15 5.586 10.185 -5.795 107 HA ILE 15 HA ILE 15 7.387 9.161 -3.901 108 HB ILE 15 HB ILE 15 4.642 8.224 -4.758 109 1HG1 ILE 15 1HG1 ILE 15 4.883 10.467 -3.671 110 2HG1 ILE 15 2HG1 ILE 15 3.869 9.339 -2.777 111 1HG2 ILE 15 1HG2 ILE 15 5.569 7.372 -2.110 112 2HG2 ILE 15 2HG2 ILE 15 6.408 6.595 -3.446 113 3HG2 ILE 15 3HG2 ILE 15 4.656 6.491 -3.332 114 1HD1 ILE 15 1HD1 ILE 15 5.201 9.387 -0.997 115 2HD1 ILE 15 2HD1 ILE 15 5.892 10.836 -1.728 116 3HD1 ILE 15 3HD1 ILE 15 6.667 9.270 -1.970 117 H ARG 16 H ARG 16 6.729 8.257 -7.144 118 HA ARG 16 HA ARG 16 7.514 5.528 -7.001 119 1HB ARG 16 1HB ARG 16 6.144 6.531 -8.836 120 2HB ARG 16 2HB ARG 16 7.586 7.355 -9.407 121 1HG ARG 16 1HG ARG 16 8.404 4.735 -9.238 122 2HG ARG 16 2HG ARG 16 6.733 4.599 -9.788 123 1HD ARG 16 1HD ARG 16 7.163 6.002 -11.671 124 2HD ARG 16 2HD ARG 16 8.760 6.426 -11.059 125 HE ARG 16 HE ARG 16 8.162 3.639 -11.758 126 1HH1 ARG 16 1HH1 ARG 16 9.975 6.574 -12.348 127 2HH1 ARG 16 2HH1 ARG 16 11.107 5.802 -13.403 128 1HH2 ARG 16 1HH2 ARG 16 9.654 2.637 -13.149 129 2HH2 ARG 16 2HH2 ARG 16 10.926 3.574 -13.860 130 H TRP 17 H TRP 17 9.232 8.331 -8.406 131 HA TRP 17 HA TRP 17 11.648 7.139 -8.935 132 1HB TRP 17 1HB TRP 17 11.039 9.445 -9.588 133 2HB TRP 17 2HB TRP 17 11.252 9.957 -7.918 134 HD1 TRP 17 HD1 TRP 17 13.376 8.457 -10.797 135 HE1 TRP 17 HE1 TRP 17 15.786 9.323 -10.537 136 HE3 TRP 17 HE3 TRP 17 12.840 11.034 -6.414 137 HZ2 TRP 17 HZ2 TRP 17 17.266 10.891 -8.713 138 HZ3 TRP 17 HZ3 TRP 17 14.804 12.188 -5.477 139 HH2 TRP 17 HH2 TRP 17 16.969 12.117 -6.604 140 H VAL 18 H VAL 18 10.631 8.611 -5.878 141 HA VAL 18 HA VAL 18 13.085 8.276 -4.558 142 HB VAL 18 HB VAL 18 10.601 8.163 -2.936 143 1HG1 VAL 18 1HG1 VAL 18 11.821 9.431 -1.405 144 2HG1 VAL 18 2HG1 VAL 18 12.938 10.018 -2.637 145 3HG1 VAL 18 3HG1 VAL 18 13.019 8.340 -2.101 146 1HG2 VAL 18 1HG2 VAL 18 9.645 9.830 -4.097 147 2HG2 VAL 18 2HG2 VAL 18 11.139 10.232 -4.942 148 3HG2 VAL 18 3HG2 VAL 18 10.852 10.852 -3.318 149 H LEU 19 H LEU 19 10.121 6.399 -4.156 150 HA LEU 19 HA LEU 19 11.367 4.420 -2.573 151 1HB LEU 19 1HB LEU 19 8.718 4.480 -3.987 152 2HB LEU 19 2HB LEU 19 9.234 3.125 -3.002 153 HG LEU 19 HG LEU 19 9.075 5.923 -1.909 154 1HD1 LEU 19 1HD1 LEU 19 6.935 4.030 -1.231 155 2HD1 LEU 19 2HD1 LEU 19 6.899 4.638 -2.887 156 3HD1 LEU 19 3HD1 LEU 19 6.866 5.768 -1.534 157 1HD2 LEU 19 1HD2 LEU 19 10.377 3.966 -0.811 158 2HD2 LEU 19 2HD2 LEU 19 8.774 3.363 -0.394 159 3HD2 LEU 19 3HD2 LEU 19 9.295 4.947 0.176 160 H GLU 20 H GLU 20 10.972 4.714 -6.009 161 HA GLU 20 HA GLU 20 11.204 1.990 -6.629 162 1HB GLU 20 1HB GLU 20 11.629 2.602 -8.874 163 2HB GLU 20 2HB GLU 20 10.453 3.731 -8.233 164 1HG GLU 20 1HG GLU 20 12.245 5.378 -7.945 165 2HG GLU 20 2HG GLU 20 13.381 4.239 -8.662 166 H ARG 21 H ARG 21 13.713 4.481 -6.771 167 HA ARG 21 HA ARG 21 15.803 2.671 -7.265 168 1HB ARG 21 1HB ARG 21 15.823 5.461 -6.125 169 2HB ARG 21 2HB ARG 21 17.292 4.563 -6.485 170 1HG ARG 21 1HG ARG 21 15.303 4.757 -8.656 171 2HG ARG 21 2HG ARG 21 16.141 6.245 -8.210 172 1HD ARG 21 1HD ARG 21 17.818 5.567 -9.508 173 2HD ARG 21 2HD ARG 21 18.143 4.322 -8.304 174 HE ARG 21 HE ARG 21 17.471 2.797 -9.848 175 1HH1 ARG 21 1HH1 ARG 21 15.877 5.819 -10.568 176 2HH1 ARG 21 2HH1 ARG 21 15.072 5.203 -11.972 177 1HH2 ARG 21 1HH2 ARG 21 16.414 1.988 -11.696 178 2HH2 ARG 21 2HH2 ARG 21 15.377 3.029 -12.612 179 H ALA 22 H ALA 22 15.099 4.387 -4.205 180 HA ALA 22 HA ALA 22 16.951 3.109 -2.632 181 1HB ALA 22 1HB ALA 22 16.077 4.552 -1.190 182 2HB ALA 22 2HB ALA 22 14.719 3.448 -0.975 183 3HB ALA 22 3HB ALA 22 14.632 4.727 -2.187 184 H LEU 23 H LEU 23 13.571 2.147 -2.976 185 HA LEU 23 HA LEU 23 13.867 -0.223 -1.487 186 1HB LEU 23 1HB LEU 23 11.716 1.017 -2.066 187 2HB LEU 23 2HB LEU 23 11.798 0.216 -3.622 188 HG LEU 23 HG LEU 23 10.360 -0.769 -1.649 189 1HD1 LEU 23 1HD1 LEU 23 10.512 -2.926 -2.686 190 2HD1 LEU 23 2HD1 LEU 23 12.088 -2.530 -3.371 191 3HD1 LEU 23 3HD1 LEU 23 10.649 -1.680 -3.926 192 1HD2 LEU 23 1HD2 LEU 23 12.184 -0.919 -0.038 193 2HD2 LEU 23 2HD2 LEU 23 13.080 -1.971 -1.135 194 3HD2 LEU 23 3HD2 LEU 23 11.561 -2.521 -0.429 195 H ALA 24 H ALA 24 14.616 0.561 -4.762 196 HA ALA 24 HA ALA 24 14.594 -2.112 -5.747 197 1HB ALA 24 1HB ALA 24 16.132 -1.061 -7.537 198 2HB ALA 24 2HB ALA 24 15.757 0.467 -6.743 199 3HB ALA 24 3HB ALA 24 14.460 -0.507 -7.436 200 H GLY 25 H GLY 25 16.877 -0.035 -4.092 201 1HA GLY 25 1HA GLY 25 19.226 -1.532 -4.531 202 2HA GLY 25 2HA GLY 25 18.930 -0.471 -3.158 203 H ALA 26 H ALA 26 16.491 -2.037 -2.449 204 HA ALA 26 HA ALA 26 17.781 -3.928 -0.736 205 1HB ALA 26 1HB ALA 26 15.261 -4.433 -0.201 206 2HB ALA 26 2HB ALA 26 14.999 -2.925 -1.077 207 3HB ALA 26 3HB ALA 26 16.023 -2.944 0.359 208 H GLY 27 H GLY 27 16.463 -4.019 -3.871 209 1HA GLY 27 1HA GLY 27 16.801 -5.887 -5.285 210 2HA GLY 27 2HA GLY 27 16.743 -6.930 -3.876 211 H LEU 28 H LEU 28 14.209 -4.512 -4.268 212 HA LEU 28 HA LEU 28 12.471 -6.679 -5.193 213 1HB LEU 28 1HB LEU 28 11.303 -4.565 -3.482 214 2HB LEU 28 2HB LEU 28 10.846 -6.249 -3.654 215 HG LEU 28 HG LEU 28 13.236 -6.577 -2.499 216 1HD1 LEU 28 1HD1 LEU 28 13.995 -4.473 -2.085 217 2HD1 LEU 28 2HD1 LEU 28 13.121 -4.787 -0.584 218 3HD1 LEU 28 3HD1 LEU 28 12.376 -3.816 -1.853 219 1HD2 LEU 28 1HD2 LEU 28 10.606 -6.941 -1.809 220 2HD2 LEU 28 2HD2 LEU 28 11.211 -5.921 -0.502 221 3HD2 LEU 28 3HD2 LEU 28 11.998 -7.459 -0.855 222 H THR 29 H THR 29 10.399 -5.956 -6.169 223 HA THR 29 HA THR 29 10.967 -3.870 -8.104 224 HB THR 29 HB THR 29 8.593 -5.716 -7.825 225 HG1 THR 29 HG1 THR 29 9.551 -6.724 -9.638 226 1HG2 THR 29 1HG2 THR 29 8.619 -4.932 -10.425 227 2HG2 THR 29 2HG2 THR 29 9.026 -3.434 -9.587 228 3HG2 THR 29 3HG2 THR 29 7.544 -4.299 -9.179 229 H CYS 30 H CYS 30 10.040 -1.916 -8.232 230 HA CYS 30 HA CYS 30 7.995 -1.209 -6.224 231 1HB CYS 30 1HB CYS 30 9.662 1.029 -6.896 232 2HB CYS 30 2HB CYS 30 9.359 0.304 -5.322 233 HG CYS 30 HG CYS 30 11.625 -0.617 -5.359 234 H THR 31 H THR 31 6.189 -0.849 -7.348 235 HA THR 31 HA THR 31 6.362 0.924 -9.696 236 HB THR 31 HB THR 31 5.677 -1.540 -10.141 237 HG1 THR 31 HG1 THR 31 5.065 -0.517 -11.859 238 1HG2 THR 31 1HG2 THR 31 3.352 -2.075 -9.865 239 2HG2 THR 31 2HG2 THR 31 3.071 -0.537 -9.056 240 3HG2 THR 31 3HG2 THR 31 4.085 -1.752 -8.297 241 H THR 32 H THR 32 4.696 2.535 -9.833 242 HA THR 32 HA THR 32 3.128 2.789 -7.371 243 HB THR 32 HB THR 32 3.473 5.191 -7.382 244 HG1 THR 32 HG1 THR 32 3.942 5.973 -9.271 245 1HG2 THR 32 1HG2 THR 32 6.205 4.029 -7.690 246 2HG2 THR 32 2HG2 THR 32 5.172 3.575 -6.333 247 3HG2 THR 32 3HG2 THR 32 5.632 5.265 -6.565 248 H PHE 33 H PHE 33 1.302 4.208 -7.461 249 HA PHE 33 HA PHE 33 0.091 4.470 -10.103 250 1HB PHE 33 1HB PHE 33 -1.391 3.310 -7.759 251 2HB PHE 33 2HB PHE 33 -1.947 3.447 -9.410 252 HD1 PHE 33 HD1 PHE 33 -1.794 1.601 -10.775 253 HD2 PHE 33 HD2 PHE 33 0.793 1.930 -7.415 254 HE1 PHE 33 HE1 PHE 33 -0.933 -0.659 -11.222 255 HE2 PHE 33 HE2 PHE 33 1.668 -0.319 -7.860 256 HZ PHE 33 HZ PHE 33 0.794 -1.628 -9.766 257 H GLU 34 H GLU 34 -2.107 5.690 -9.847 258 HA GLU 34 HA GLU 34 -1.507 8.270 -9.002 259 1HB GLU 34 1HB GLU 34 -3.944 8.705 -9.429 260 2HB GLU 34 2HB GLU 34 -3.067 7.942 -10.748 261 1HG GLU 34 1HG GLU 34 -4.767 6.512 -10.813 262 2HG GLU 34 2HG GLU 34 -4.020 5.783 -9.394 263 H ASN 35 H ASN 35 -4.036 6.158 -7.498 264 HA ASN 35 HA ASN 35 -3.319 7.232 -4.925 265 1HB ASN 35 1HB ASN 35 -5.982 7.819 -6.197 266 2HB ASN 35 2HB ASN 35 -5.713 7.929 -4.460 267 1HD2 ASN 35 1HD2 ASN 35 -5.372 9.455 -7.472 268 2HD2 ASN 35 2HD2 ASN 35 -4.550 10.874 -6.928 269 H GLY 36 H GLY 36 -5.034 4.931 -6.841 270 1HA GLY 36 1HA GLY 36 -4.756 2.826 -5.112 271 2HA GLY 36 2HA GLY 36 -6.272 3.579 -4.647 272 H ASN 37 H ASN 37 -7.562 4.195 -6.834 273 HA ASN 37 HA ASN 37 -8.677 1.883 -7.763 274 1HB ASN 37 1HB ASN 37 -8.876 4.658 -8.393 275 2HB ASN 37 2HB ASN 37 -8.863 3.740 -9.895 276 1HD2 ASN 37 1HD2 ASN 37 -10.140 2.897 -6.710 277 2HD2 ASN 37 2HD2 ASN 37 -11.773 2.679 -7.227 278 H GLU 38 H GLU 38 -5.913 3.610 -9.078 279 HA GLU 38 HA GLU 38 -5.668 2.209 -11.487 280 1HB GLU 38 1HB GLU 38 -4.306 4.245 -10.449 281 2HB GLU 38 2HB GLU 38 -3.192 2.953 -10.036 282 1HG GLU 38 1HG GLU 38 -2.836 2.385 -12.285 283 2HG GLU 38 2HG GLU 38 -4.224 3.332 -12.823 284 H VAL 39 H VAL 39 -3.987 1.548 -8.346 285 HA VAL 39 HA VAL 39 -2.666 -0.763 -9.139 286 HB VAL 39 HB VAL 39 -3.990 -0.666 -6.450 287 1HG1 VAL 39 1HG1 VAL 39 -1.158 -1.339 -6.676 288 2HG1 VAL 39 2HG1 VAL 39 -2.215 -2.408 -7.594 289 3HG1 VAL 39 3HG1 VAL 39 -2.468 -2.197 -5.862 290 1HG2 VAL 39 1HG2 VAL 39 -2.353 1.391 -7.557 291 2HG2 VAL 39 2HG2 VAL 39 -1.478 0.573 -6.266 292 3HG2 VAL 39 3HG2 VAL 39 -3.067 1.276 -5.951 293 H LEU 40 H LEU 40 -5.962 -0.476 -7.877 294 HA LEU 40 HA LEU 40 -6.691 -3.102 -7.668 295 1HB LEU 40 1HB LEU 40 -8.484 -1.011 -8.891 296 2HB LEU 40 2HB LEU 40 -8.967 -2.437 -7.995 297 HG LEU 40 HG LEU 40 -7.586 0.003 -6.877 298 1HD1 LEU 40 1HD1 LEU 40 -9.709 0.052 -5.496 299 2HD1 LEU 40 2HD1 LEU 40 -10.366 -1.104 -6.656 300 3HD1 LEU 40 3HD1 LEU 40 -9.863 0.496 -7.196 301 1HD2 LEU 40 1HD2 LEU 40 -8.510 -1.645 -4.807 302 2HD2 LEU 40 2HD2 LEU 40 -6.836 -1.283 -5.231 303 3HD2 LEU 40 3HD2 LEU 40 -7.630 -2.703 -5.911 304 H ALA 41 H ALA 41 -6.704 -1.159 -10.640 305 HA ALA 41 HA ALA 41 -7.714 -3.187 -12.321 306 1HB ALA 41 1HB ALA 41 -5.914 -0.985 -13.255 307 2HB ALA 41 2HB ALA 41 -7.581 -0.679 -12.767 308 3HB ALA 41 3HB ALA 41 -7.242 -1.763 -14.116 309 H ALA 42 H ALA 42 -4.434 -2.078 -11.709 310 HA ALA 42 HA ALA 42 -3.160 -3.932 -13.415 311 1HB ALA 42 1HB ALA 42 -2.283 -1.724 -12.275 312 2HB ALA 42 2HB ALA 42 -1.179 -3.024 -12.721 313 3HB ALA 42 3HB ALA 42 -1.710 -2.855 -11.047 314 H LEU 43 H LEU 43 -4.073 -4.046 -10.025 315 HA LEU 43 HA LEU 43 -2.595 -6.319 -9.297 316 1HB LEU 43 1HB LEU 43 -5.019 -4.964 -8.207 317 2HB LEU 43 2HB LEU 43 -4.555 -6.533 -7.573 318 HG LEU 43 HG LEU 43 -2.629 -4.231 -7.660 319 1HD1 LEU 43 1HD1 LEU 43 -4.277 -3.298 -6.331 320 2HD1 LEU 43 2HD1 LEU 43 -3.250 -4.116 -5.152 321 3HD1 LEU 43 3HD1 LEU 43 -4.762 -4.859 -5.674 322 1HD2 LEU 43 1HD2 LEU 43 -2.660 -6.978 -6.630 323 2HD2 LEU 43 2HD2 LEU 43 -2.011 -5.769 -5.521 324 3HD2 LEU 43 3HD2 LEU 43 -1.305 -5.965 -7.126 325 H ALA 44 H ALA 44 -5.517 -5.951 -11.080 326 HA ALA 44 HA ALA 44 -6.691 -8.458 -10.703 327 1HB ALA 44 1HB ALA 44 -6.729 -6.659 -13.121 328 2HB ALA 44 2HB ALA 44 -7.890 -6.679 -11.793 329 3HB ALA 44 3HB ALA 44 -7.781 -8.055 -12.891 330 H SER 45 H SER 45 -3.780 -7.625 -12.276 331 HA SER 45 HA SER 45 -3.671 -10.261 -13.525 332 1HB SER 45 1HB SER 45 -3.647 -8.759 -15.329 333 2HB SER 45 2HB SER 45 -2.607 -7.618 -14.474 334 HG SER 45 HG SER 45 -1.349 -8.698 -15.950 335 H LYS 46 H LYS 46 -2.418 -8.423 -11.038 336 HA LYS 46 HA LYS 46 -0.263 -10.287 -10.650 337 1HB LYS 46 1HB LYS 46 0.404 -8.079 -12.063 338 2HB LYS 46 2HB LYS 46 0.668 -7.499 -10.423 339 1HG LYS 46 1HG LYS 46 1.869 -10.002 -10.477 340 2HG LYS 46 2HG LYS 46 2.276 -9.271 -12.032 341 1HD LYS 46 1HD LYS 46 2.524 -7.394 -9.825 342 2HD LYS 46 2HD LYS 46 3.552 -8.814 -9.617 343 1HE LYS 46 1HE LYS 46 4.458 -8.451 -11.881 344 2HE LYS 46 2HE LYS 46 3.472 -6.997 -12.024 345 1HZ LYS 46 1HZ LYS 46 4.891 -6.761 -9.659 346 2HZ LYS 46 2HZ LYS 46 5.128 -5.893 -11.090 347 3HZ LYS 46 3HZ LYS 46 6.000 -7.314 -10.809 348 H THR 47 H THR 47 0.785 -10.045 -8.538 349 HA THR 47 HA THR 47 -0.680 -8.410 -6.635 350 HB THR 47 HB THR 47 -0.235 -11.380 -6.357 351 HG1 THR 47 HG1 THR 47 -2.429 -11.499 -6.417 352 1HG2 THR 47 1HG2 THR 47 -1.454 -9.509 -4.339 353 2HG2 THR 47 2HG2 THR 47 0.125 -10.282 -4.195 354 3HG2 THR 47 3HG2 THR 47 -1.341 -11.265 -4.213 355 HA PRO 48 HA PRO 48 3.668 -7.774 -5.530 356 1HB PRO 48 1HB PRO 48 3.220 -5.736 -3.806 357 2HB PRO 48 2HB PRO 48 3.211 -5.509 -5.560 358 1HG PRO 48 1HG PRO 48 0.894 -5.890 -3.692 359 2HG PRO 48 2HG PRO 48 1.090 -4.701 -4.994 360 1HD PRO 48 1HD PRO 48 -0.347 -6.941 -5.341 361 2HD PRO 48 2HD PRO 48 0.629 -6.247 -6.649 362 H ASP 49 H ASP 49 4.865 -7.801 -3.444 363 HA ASP 49 HA ASP 49 3.688 -9.744 -1.655 364 1HB ASP 49 1HB ASP 49 6.405 -8.435 -1.787 365 2HB ASP 49 2HB ASP 49 5.943 -9.516 -0.476 366 H VAL 50 H VAL 50 4.278 -6.328 -1.727 367 HA VAL 50 HA VAL 50 2.838 -5.999 0.786 368 HB VAL 50 HB VAL 50 5.127 -6.027 1.557 369 1HG1 VAL 50 1HG1 VAL 50 6.106 -3.683 0.158 370 2HG1 VAL 50 2HG1 VAL 50 5.738 -5.013 -0.938 371 3HG1 VAL 50 3HG1 VAL 50 6.864 -5.256 0.397 372 1HG2 VAL 50 1HG2 VAL 50 3.889 -3.289 1.434 373 2HG2 VAL 50 2HG2 VAL 50 5.351 -3.625 2.360 374 3HG2 VAL 50 3HG2 VAL 50 3.848 -4.456 2.756 375 H LEU 51 H LEU 51 1.149 -4.920 -0.129 376 HA LEU 51 HA LEU 51 1.623 -2.837 -2.086 377 1HB LEU 51 1HB LEU 51 -0.240 -4.362 -2.419 378 2HB LEU 51 2HB LEU 51 -0.944 -3.872 -0.891 379 HG LEU 51 HG LEU 51 -1.256 -1.581 -1.792 380 1HD1 LEU 51 1HD1 LEU 51 -0.885 -2.403 -4.572 381 2HD1 LEU 51 2HD1 LEU 51 0.606 -2.282 -3.643 382 3HD1 LEU 51 3HD1 LEU 51 -0.467 -0.885 -3.764 383 1HD2 LEU 51 1HD2 LEU 51 -3.128 -3.085 -1.903 384 2HD2 LEU 51 2HD2 LEU 51 -2.492 -3.852 -3.356 385 3HD2 LEU 51 3HD2 LEU 51 -3.059 -2.185 -3.417 386 H LEU 52 H LEU 52 1.264 -0.708 -1.881 387 HA LEU 52 HA LEU 52 0.603 0.355 0.791 388 1HB LEU 52 1HB LEU 52 2.739 1.177 -1.157 389 2HB LEU 52 2HB LEU 52 2.091 2.323 -0.003 390 HG LEU 52 HG LEU 52 3.094 -0.255 1.063 391 1HD1 LEU 52 1HD1 LEU 52 5.155 -0.059 0.261 392 2HD1 LEU 52 2HD1 LEU 52 5.286 1.531 1.011 393 3HD1 LEU 52 3HD1 LEU 52 4.694 1.384 -0.644 394 1HD2 LEU 52 1HD2 LEU 52 2.138 2.058 2.152 395 2HD2 LEU 52 2HD2 LEU 52 3.885 2.309 2.233 396 3HD2 LEU 52 3HD2 LEU 52 3.165 0.889 2.990 397 H SER 53 H SER 53 -1.311 1.447 0.645 398 HA SER 53 HA SER 53 -1.979 2.622 -1.973 399 1HB SER 53 1HB SER 53 -3.457 0.920 -0.215 400 2HB SER 53 2HB SER 53 -4.308 2.457 -0.370 401 HG SER 53 HG SER 53 -4.267 2.199 -2.614 402 H ASP 54 H ASP 54 -2.879 4.635 -2.155 403 HA ASP 54 HA ASP 54 -2.168 6.538 -0.115 404 1HB ASP 54 1HB ASP 54 -2.192 6.839 -2.731 405 2HB ASP 54 2HB ASP 54 -3.893 7.194 -2.488 406 H ILE 55 H ILE 55 -4.049 8.313 0.214 407 HA ILE 55 HA ILE 55 -6.645 7.130 0.483 408 HB ILE 55 HB ILE 55 -5.757 6.242 2.462 409 1HG1 ILE 55 1HG1 ILE 55 -6.905 8.610 3.790 410 2HG1 ILE 55 2HG1 ILE 55 -7.904 7.922 2.517 411 1HG2 ILE 55 1HG2 ILE 55 -3.739 7.343 2.784 412 2HG2 ILE 55 2HG2 ILE 55 -4.708 7.811 4.181 413 3HG2 ILE 55 3HG2 ILE 55 -4.510 8.929 2.833 414 1HD1 ILE 55 1HD1 ILE 55 -8.158 5.912 3.637 415 2HD1 ILE 55 2HD1 ILE 55 -8.231 7.112 4.928 416 3HD1 ILE 55 3HD1 ILE 55 -6.751 6.193 4.657 417 H ARG 56 H ARG 56 -6.982 8.917 -0.984 418 HA ARG 56 HA ARG 56 -8.253 11.082 0.180 419 1HB ARG 56 1HB ARG 56 -5.941 11.769 0.821 420 2HB ARG 56 2HB ARG 56 -5.530 11.854 -0.886 421 1HG ARG 56 1HG ARG 56 -6.957 13.688 -1.243 422 2HG ARG 56 2HG ARG 56 -7.771 13.456 0.306 423 1HD ARG 56 1HD ARG 56 -6.172 15.357 0.294 424 2HD ARG 56 2HD ARG 56 -5.809 14.132 1.506 425 HE ARG 56 HE ARG 56 -3.927 13.484 0.269 426 1HH1 ARG 56 1HH1 ARG 56 -5.643 16.116 -1.267 427 2HH1 ARG 56 2HH1 ARG 56 -4.324 16.526 -2.309 428 1HH2 ARG 56 1HH2 ARG 56 -2.202 14.025 -1.109 429 2HH2 ARG 56 2HH2 ARG 56 -2.375 15.340 -2.222 430 H MET 57 H MET 57 -9.460 9.884 -1.585 431 HA MET 57 HA MET 57 -9.481 11.546 -3.926 432 1HB MET 57 1HB MET 57 -7.961 9.137 -4.027 433 2HB MET 57 2HB MET 57 -9.376 8.931 -5.048 434 1HG MET 57 1HG MET 57 -7.786 11.430 -5.298 435 2HG MET 57 2HG MET 57 -7.155 9.939 -5.994 436 1HE MET 57 1HE MET 57 -9.007 8.308 -6.987 437 2HE MET 57 2HE MET 57 -8.356 8.901 -8.516 438 3HE MET 57 3HE MET 57 -10.101 8.839 -8.264 439 HA PRO 58 HA PRO 58 -13.158 8.459 -4.413 440 1HB PRO 58 1HB PRO 58 -13.349 6.432 -2.590 441 2HB PRO 58 2HB PRO 58 -12.550 6.271 -4.158 442 1HG PRO 58 1HG PRO 58 -11.349 6.779 -1.462 443 2HG PRO 58 2HG PRO 58 -10.798 5.683 -2.744 444 1HD PRO 58 1HD PRO 58 -9.645 8.076 -2.346 445 2HD PRO 58 2HD PRO 58 -9.847 7.398 -3.975 446 H GLY 59 H GLY 59 -15.107 7.716 -2.921 447 1HA GLY 59 1HA GLY 59 -15.959 9.963 -1.501 448 2HA GLY 59 2HA GLY 59 -16.702 8.373 -1.409 449 H MET 60 H MET 60 -14.958 6.803 -0.172 450 HA MET 60 HA MET 60 -14.973 7.822 2.518 451 1HB MET 60 1HB MET 60 -15.228 5.331 1.470 452 2HB MET 60 2HB MET 60 -13.540 5.300 1.956 453 1HG MET 60 1HG MET 60 -14.229 4.758 3.983 454 2HG MET 60 2HG MET 60 -14.858 6.396 4.131 455 1HE MET 60 1HE MET 60 -17.428 4.242 5.832 456 2HE MET 60 2HE MET 60 -15.671 4.401 5.838 457 3HE MET 60 3HE MET 60 -16.424 2.961 5.153 458 H ASP 61 H ASP 61 -13.381 9.485 1.153 459 HA ASP 61 HA ASP 61 -11.349 10.488 1.084 460 1HB ASP 61 1HB ASP 61 -11.508 9.134 3.649 461 2HB ASP 61 2HB ASP 61 -9.844 9.277 3.090 462 H GLY 62 H GLY 62 -10.414 7.278 2.237 463 1HA GLY 62 1HA GLY 62 -9.147 6.690 -0.319 464 2HA GLY 62 2HA GLY 62 -8.097 6.805 1.079 465 H LEU 63 H LEU 63 -9.962 5.665 2.957 466 HA LEU 63 HA LEU 63 -9.262 2.995 2.736 467 1HB LEU 63 1HB LEU 63 -11.742 3.807 4.210 468 2HB LEU 63 2HB LEU 63 -10.610 2.524 4.588 469 HG LEU 63 HG LEU 63 -8.962 4.622 4.837 470 1HD1 LEU 63 1HD1 LEU 63 -10.932 6.141 4.291 471 2HD1 LEU 63 2HD1 LEU 63 -9.975 6.535 5.719 472 3HD1 LEU 63 3HD1 LEU 63 -11.533 5.731 5.895 473 1HD2 LEU 63 1HD2 LEU 63 -10.850 3.743 7.014 474 2HD2 LEU 63 2HD2 LEU 63 -9.237 4.436 7.212 475 3HD2 LEU 63 3HD2 LEU 63 -9.430 2.839 6.488 476 H ALA 64 H ALA 64 -11.768 4.742 1.159 477 HA ALA 64 HA ALA 64 -13.632 2.743 0.597 478 1HB ALA 64 1HB ALA 64 -13.930 5.106 -0.050 479 2HB ALA 64 2HB ALA 64 -14.161 4.026 -1.423 480 3HB ALA 64 3HB ALA 64 -12.656 4.930 -1.254 481 H LEU 65 H LEU 65 -10.481 3.451 -0.736 482 HA LEU 65 HA LEU 65 -10.456 1.721 -2.940 483 1HB LEU 65 1HB LEU 65 -8.782 3.545 -2.222 484 2HB LEU 65 2HB LEU 65 -8.070 2.311 -1.203 485 HG LEU 65 HG LEU 65 -6.830 2.543 -3.272 486 1HD1 LEU 65 1HD1 LEU 65 -8.258 -0.054 -3.584 487 2HD1 LEU 65 2HD1 LEU 65 -7.324 0.268 -2.123 488 3HD1 LEU 65 3HD1 LEU 65 -6.536 0.307 -3.701 489 1HD2 LEU 65 1HD2 LEU 65 -9.522 2.195 -4.498 490 2HD2 LEU 65 2HD2 LEU 65 -8.104 1.610 -5.362 491 3HD2 LEU 65 3HD2 LEU 65 -8.224 3.313 -4.918 492 H LEU 66 H LEU 66 -9.672 1.220 0.467 493 HA LEU 66 HA LEU 66 -8.601 -1.342 0.357 494 1HB LEU 66 1HB LEU 66 -10.202 0.102 2.443 495 2HB LEU 66 2HB LEU 66 -9.717 -1.560 2.692 496 HG LEU 66 HG LEU 66 -8.182 -0.001 3.789 497 1HD1 LEU 66 1HD1 LEU 66 -6.198 -1.041 3.142 498 2HD1 LEU 66 2HD1 LEU 66 -6.718 -1.197 1.463 499 3HD1 LEU 66 3HD1 LEU 66 -7.452 -2.203 2.712 500 1HD2 LEU 66 1HD2 LEU 66 -8.575 1.716 1.834 501 2HD2 LEU 66 2HD2 LEU 66 -7.145 0.938 1.165 502 3HD2 LEU 66 3HD2 LEU 66 -7.072 1.706 2.751 503 H LYS 67 H LYS 67 -11.972 -0.300 0.557 504 HA LYS 67 HA LYS 67 -13.188 -2.800 0.796 505 1HB LYS 67 1HB LYS 67 -14.264 -0.487 0.952 506 2HB LYS 67 2HB LYS 67 -14.337 -0.516 -0.804 507 1HG LYS 67 1HG LYS 67 -15.764 -2.448 -0.768 508 2HG LYS 67 2HG LYS 67 -15.594 -2.584 0.984 509 1HD LYS 67 1HD LYS 67 -16.597 -0.270 1.133 510 2HD LYS 67 2HD LYS 67 -16.985 -0.421 -0.582 511 1HE LYS 67 1HE LYS 67 -17.954 -2.182 1.664 512 2HE LYS 67 2HE LYS 67 -18.912 -1.039 0.724 513 1HZ LYS 67 1HZ LYS 67 -19.349 -3.159 -0.159 514 2HZ LYS 67 2HZ LYS 67 -17.714 -3.590 -0.189 515 3HZ LYS 67 3HZ LYS 67 -18.300 -2.426 -1.266 516 H GLN 68 H GLN 68 -12.205 -0.997 -2.086 517 HA GLN 68 HA GLN 68 -13.232 -2.765 -4.010 518 1HB GLN 68 1HB GLN 68 -10.706 -1.141 -4.310 519 2HB GLN 68 2HB GLN 68 -11.793 -1.680 -5.581 520 1HG GLN 68 1HG GLN 68 -12.540 0.286 -3.432 521 2HG GLN 68 2HG GLN 68 -11.975 0.728 -5.043 522 1HE2 GLN 68 1HE2 GLN 68 -13.238 -0.799 -6.739 523 2HE2 GLN 68 2HE2 GLN 68 -14.954 -0.659 -6.606 524 H ILE 69 H ILE 69 -10.277 -2.733 -2.156 525 HA ILE 69 HA ILE 69 -8.800 -4.633 -3.547 526 HB ILE 69 HB ILE 69 -8.801 -3.998 -0.604 527 1HG1 ILE 69 1HG1 ILE 69 -6.965 -3.087 -2.828 528 2HG1 ILE 69 2HG1 ILE 69 -8.273 -2.126 -2.154 529 1HG2 ILE 69 1HG2 ILE 69 -7.259 -5.947 -2.165 530 2HG2 ILE 69 2HG2 ILE 69 -7.615 -5.898 -0.441 531 3HG2 ILE 69 3HG2 ILE 69 -6.310 -4.912 -1.098 532 1HD1 ILE 69 1HD1 ILE 69 -6.812 -2.838 0.058 533 2HD1 ILE 69 2HD1 ILE 69 -6.743 -1.292 -0.785 534 3HD1 ILE 69 3HD1 ILE 69 -5.584 -2.561 -1.176 535 H LYS 70 H LYS 70 -11.234 -5.042 -1.050 536 HA LYS 70 HA LYS 70 -10.852 -7.831 -0.769 537 1HB LYS 70 1HB LYS 70 -12.818 -7.853 0.574 538 2HB LYS 70 2HB LYS 70 -11.960 -6.363 0.936 539 1HG LYS 70 1HG LYS 70 -13.705 -5.129 0.345 540 2HG LYS 70 2HG LYS 70 -13.865 -5.972 -1.195 541 1HD LYS 70 1HD LYS 70 -15.811 -6.708 -0.349 542 2HD LYS 70 2HD LYS 70 -14.800 -7.846 0.545 543 1HE LYS 70 1HE LYS 70 -14.659 -5.807 2.235 544 2HE LYS 70 2HE LYS 70 -16.195 -5.393 1.477 545 1HZ LYS 70 1HZ LYS 70 -17.227 -7.172 2.382 546 2HZ LYS 70 2HZ LYS 70 -16.021 -7.004 3.556 547 3HZ LYS 70 3HZ LYS 70 -15.852 -8.159 2.333 548 H GLN 71 H GLN 71 -12.694 -5.865 -2.932 549 HA GLN 71 HA GLN 71 -14.420 -7.909 -3.859 550 1HB GLN 71 1HB GLN 71 -13.780 -5.140 -4.629 551 2HB GLN 71 2HB GLN 71 -14.358 -6.166 -5.934 552 1HG GLN 71 1HG GLN 71 -16.450 -6.197 -5.153 553 2HG GLN 71 2HG GLN 71 -15.929 -6.359 -3.477 554 1HE2 GLN 71 1HE2 GLN 71 -14.556 -4.185 -2.923 555 2HE2 GLN 71 2HE2 GLN 71 -15.492 -2.751 -3.153 556 H ARG 72 H ARG 72 -11.278 -6.763 -4.806 557 HA ARG 72 HA ARG 72 -11.181 -8.681 -7.015 558 1HB ARG 72 1HB ARG 72 -9.575 -6.245 -6.335 559 2HB ARG 72 2HB ARG 72 -8.944 -7.447 -7.452 560 1HG ARG 72 1HG ARG 72 -10.011 -6.360 -9.061 561 2HG ARG 72 2HG ARG 72 -11.517 -6.956 -8.361 562 1HD ARG 72 1HD ARG 72 -12.021 -4.960 -7.406 563 2HD ARG 72 2HD ARG 72 -10.331 -4.550 -7.113 564 HE ARG 72 HE ARG 72 -10.354 -3.384 -9.066 565 1HH1 ARG 72 1HH1 ARG 72 -12.896 -5.770 -9.196 566 2HH1 ARG 72 2HH1 ARG 72 -13.498 -5.229 -10.727 567 1HH2 ARG 72 1HH2 ARG 72 -11.141 -2.670 -11.079 568 2HH2 ARG 72 2HH2 ARG 72 -12.500 -3.468 -11.798 569 H HIS 73 H HIS 73 -8.745 -7.471 -4.789 570 HA HIS 73 HA HIS 73 -7.784 -10.227 -4.423 571 1HB HIS 73 1HB HIS 73 -5.578 -9.237 -3.930 572 2HB HIS 73 2HB HIS 73 -6.151 -8.811 -5.539 573 HD1 HIS 73 HD1 HIS 73 -4.487 -7.350 -2.833 574 HD2 HIS 73 HD2 HIS 73 -7.544 -6.052 -5.301 575 HE1 HIS 73 HE1 HIS 73 -4.480 -4.849 -2.642 576 HE2 HIS 73 HE2 HIS 73 -6.271 -4.084 -4.236 577 HA PRO 74 HA PRO 74 -9.310 -8.772 -0.266 578 1HB PRO 74 1HB PRO 74 -10.785 -10.957 0.320 579 2HB PRO 74 2HB PRO 74 -11.417 -9.619 -0.642 580 1HG PRO 74 1HG PRO 74 -10.320 -12.251 -1.553 581 2HG PRO 74 2HG PRO 74 -11.764 -11.389 -2.114 582 1HD PRO 74 1HD PRO 74 -9.405 -11.344 -3.459 583 2HD PRO 74 2HD PRO 74 -10.548 -9.987 -3.475 584 H MET 75 H MET 75 -6.700 -9.710 -0.622 585 HA MET 75 HA MET 75 -6.398 -11.234 1.797 586 1HB MET 75 1HB MET 75 -5.528 -12.406 -0.839 587 2HB MET 75 2HB MET 75 -4.898 -12.950 0.708 588 1HG MET 75 1HG MET 75 -7.578 -13.104 1.132 589 2HG MET 75 2HG MET 75 -7.463 -13.499 -0.581 590 1HE MET 75 1HE MET 75 -5.276 -14.751 -1.277 591 2HE MET 75 2HE MET 75 -6.134 -16.291 -1.289 592 3HE MET 75 3HE MET 75 -4.607 -16.139 -0.418 593 H LEU 76 H LEU 76 -4.805 -9.788 -0.986 594 HA LEU 76 HA LEU 76 -2.201 -9.746 0.014 595 1HB LEU 76 1HB LEU 76 -2.412 -9.307 -2.253 596 2HB LEU 76 2HB LEU 76 -3.650 -8.099 -2.007 597 HG LEU 76 HG LEU 76 -1.740 -6.718 -0.892 598 1HD1 LEU 76 1HD1 LEU 76 -0.332 -9.052 -1.771 599 2HD1 LEU 76 2HD1 LEU 76 0.259 -7.667 -0.852 600 3HD1 LEU 76 3HD1 LEU 76 0.270 -7.625 -2.614 601 1HD2 LEU 76 1HD2 LEU 76 -2.733 -6.931 -3.547 602 2HD2 LEU 76 2HD2 LEU 76 -1.004 -6.598 -3.627 603 3HD2 LEU 76 3HD2 LEU 76 -2.066 -5.518 -2.728 604 HA PRO 77 HA PRO 77 -2.456 -6.846 3.370 605 1HB PRO 77 1HB PRO 77 0.219 -6.493 3.725 606 2HB PRO 77 2HB PRO 77 -0.648 -7.937 4.257 607 1HG PRO 77 1HG PRO 77 0.974 -7.510 1.774 608 2HG PRO 77 2HG PRO 77 0.971 -8.897 2.882 609 1HD PRO 77 1HD PRO 77 -0.357 -8.946 0.544 610 2HD PRO 77 2HD PRO 77 -0.977 -9.763 1.992 611 H VAL 78 H VAL 78 -3.119 -4.859 2.978 612 HA VAL 78 HA VAL 78 -1.646 -3.074 1.190 613 HB VAL 78 HB VAL 78 -4.239 -2.393 2.547 614 1HG1 VAL 78 1HG1 VAL 78 -2.966 -0.641 1.351 615 2HG1 VAL 78 2HG1 VAL 78 -4.567 -0.933 0.674 616 3HG1 VAL 78 3HG1 VAL 78 -3.137 -1.575 -0.134 617 1HG2 VAL 78 1HG2 VAL 78 -4.156 -4.671 1.172 618 2HG2 VAL 78 2HG2 VAL 78 -4.333 -3.558 -0.180 619 3HG2 VAL 78 3HG2 VAL 78 -5.537 -3.581 1.107 620 H ILE 79 H ILE 79 -1.058 -0.977 1.815 621 HA ILE 79 HA ILE 79 -1.041 -0.366 4.688 622 HB ILE 79 HB ILE 79 1.378 0.017 2.928 623 1HG1 ILE 79 1HG1 ILE 79 1.839 -1.876 5.023 624 2HG1 ILE 79 2HG1 ILE 79 0.442 -2.400 4.090 625 1HG2 ILE 79 1HG2 ILE 79 0.627 0.950 5.539 626 2HG2 ILE 79 2HG2 ILE 79 2.040 1.357 4.565 627 3HG2 ILE 79 3HG2 ILE 79 2.081 -0.048 5.633 628 1HD1 ILE 79 1HD1 ILE 79 2.328 -1.600 2.200 629 2HD1 ILE 79 2HD1 ILE 79 1.853 -3.251 2.617 630 3HD1 ILE 79 3HD1 ILE 79 3.228 -2.498 3.425 631 H ILE 80 H ILE 80 -2.078 1.520 4.873 632 HA ILE 80 HA ILE 80 -2.055 3.374 2.634 633 HB ILE 80 HB ILE 80 -3.649 3.664 5.172 634 1HG1 ILE 80 1HG1 ILE 80 -4.104 1.463 4.172 635 2HG1 ILE 80 2HG1 ILE 80 -5.486 2.536 3.991 636 1HG2 ILE 80 1HG2 ILE 80 -4.821 5.299 4.119 637 2HG2 ILE 80 2HG2 ILE 80 -4.600 4.584 2.523 638 3HG2 ILE 80 3HG2 ILE 80 -3.289 5.491 3.271 639 1HD1 ILE 80 1HD1 ILE 80 -4.217 1.067 2.004 640 2HD1 ILE 80 2HD1 ILE 80 -3.749 2.743 1.716 641 3HD1 ILE 80 3HD1 ILE 80 -5.455 2.306 1.796 642 H MET 81 H MET 81 -1.458 5.519 2.725 643 HA MET 81 HA MET 81 0.671 6.096 4.574 644 1HB MET 81 1HB MET 81 0.414 8.408 3.144 645 2HB MET 81 2HB MET 81 1.426 7.046 2.698 646 1HG MET 81 1HG MET 81 -1.360 6.882 1.781 647 2HG MET 81 2HG MET 81 -0.412 8.194 1.094 648 1HE MET 81 1HE MET 81 -0.083 4.034 1.548 649 2HE MET 81 2HE MET 81 1.017 5.043 2.486 650 3HE MET 81 3HE MET 81 1.620 4.130 1.105 651 H THR 82 H THR 82 -2.674 6.782 4.578 652 HA THR 82 HA THR 82 -2.254 8.486 6.892 653 HB THR 82 HB THR 82 -4.106 9.485 4.739 654 HG1 THR 82 HG1 THR 82 -2.169 9.662 3.764 655 1HG2 THR 82 1HG2 THR 82 -4.700 10.781 6.465 656 2HG2 THR 82 2HG2 THR 82 -3.223 11.653 6.055 657 3HG2 THR 82 3HG2 THR 82 -3.212 10.461 7.355 658 H ALA 83 H ALA 83 -4.283 8.887 8.112 659 HA ALA 83 HA ALA 83 -6.457 7.046 7.491 660 1HB ALA 83 1HB ALA 83 -4.505 6.208 9.206 661 2HB ALA 83 2HB ALA 83 -6.165 5.606 9.166 662 3HB ALA 83 3HB ALA 83 -5.711 6.875 10.307 663 H HIS 84 H HIS 84 -7.095 9.447 7.113 664 HA HIS 84 HA HIS 84 -7.982 10.711 9.600 665 1HB HIS 84 1HB HIS 84 -8.612 12.619 7.993 666 2HB HIS 84 2HB HIS 84 -6.906 12.319 8.286 667 HD1 HIS 84 HD1 HIS 84 -6.403 13.516 6.011 668 HD2 HIS 84 HD2 HIS 84 -8.588 9.996 5.675 669 HE1 HIS 84 HE1 HIS 84 -6.316 12.898 3.575 670 HE2 HIS 84 HE2 HIS 84 -7.657 10.773 3.393 671 H SER 85 H SER 85 -9.910 10.137 10.306 672 HA SER 85 HA SER 85 -12.125 9.642 10.403 673 1HB SER 85 1HB SER 85 -12.379 11.821 9.300 674 2HB SER 85 2HB SER 85 -12.204 11.050 7.724 675 HG SER 85 HG SER 85 -14.148 10.076 7.973 676 H ASP 86 H ASP 86 -13.863 8.340 9.457 677 HA ASP 86 HA ASP 86 -14.643 6.440 8.490 678 1HB ASP 86 1HB ASP 86 -12.655 7.131 6.319 679 2HB ASP 86 2HB ASP 86 -13.986 5.988 6.166 680 H LEU 87 H LEU 87 -12.079 6.493 10.149 681 HA LEU 87 HA LEU 87 -10.207 4.640 9.460 682 1HB LEU 87 1HB LEU 87 -10.748 6.041 11.685 683 2HB LEU 87 2HB LEU 87 -11.241 4.450 12.228 684 HG LEU 87 HG LEU 87 -8.880 5.142 12.792 685 1HD1 LEU 87 1HD1 LEU 87 -9.921 2.648 11.939 686 2HD1 LEU 87 2HD1 LEU 87 -8.626 2.967 13.091 687 3HD1 LEU 87 3HD1 LEU 87 -8.253 2.762 11.381 688 1HD2 LEU 87 1HD2 LEU 87 -8.579 6.086 10.395 689 2HD2 LEU 87 2HD2 LEU 87 -8.170 4.422 9.980 690 3HD2 LEU 87 3HD2 LEU 87 -7.223 5.287 11.191 691 H ASP 88 H ASP 88 -13.522 4.009 10.163 692 HA ASP 88 HA ASP 88 -13.569 1.448 11.105 693 1HB ASP 88 1HB ASP 88 -15.376 2.711 9.041 694 2HB ASP 88 2HB ASP 88 -15.717 1.177 9.837 695 H ALA 89 H ALA 89 -13.353 2.350 7.648 696 HA ALA 89 HA ALA 89 -13.210 -0.325 6.750 697 1HB ALA 89 1HB ALA 89 -11.963 1.183 4.794 698 2HB ALA 89 2HB ALA 89 -13.087 2.307 5.558 699 3HB ALA 89 3HB ALA 89 -13.678 0.787 4.886 700 H ALA 90 H ALA 90 -10.877 1.747 8.167 701 HA ALA 90 HA ALA 90 -8.521 0.702 7.021 702 1HB ALA 90 1HB ALA 90 -8.655 1.686 9.848 703 2HB ALA 90 2HB ALA 90 -8.816 2.796 8.491 704 3HB ALA 90 3HB ALA 90 -7.342 1.843 8.682 705 H VAL 91 H VAL 91 -10.030 -0.032 10.176 706 HA VAL 91 HA VAL 91 -8.321 -2.172 10.779 707 HB VAL 91 HB VAL 91 -11.137 -1.988 11.807 708 1HG1 VAL 91 1HG1 VAL 91 -10.314 -3.852 12.794 709 2HG1 VAL 91 2HG1 VAL 91 -9.593 -2.679 13.896 710 3HG1 VAL 91 3HG1 VAL 91 -8.634 -3.357 12.577 711 1HG2 VAL 91 1HG2 VAL 91 -8.799 -0.220 12.358 712 2HG2 VAL 91 2HG2 VAL 91 -9.881 -0.638 13.687 713 3HG2 VAL 91 3HG2 VAL 91 -10.513 0.179 12.257 714 H SER 92 H SER 92 -11.511 -2.109 9.243 715 HA SER 92 HA SER 92 -11.906 -4.874 9.068 716 1HB SER 92 1HB SER 92 -12.854 -2.601 7.316 717 2HB SER 92 2HB SER 92 -13.365 -4.270 7.069 718 HG SER 92 HG SER 92 -13.641 -2.926 9.546 719 H ALA 93 H ALA 93 -9.990 -2.678 7.154 720 HA ALA 93 HA ALA 93 -9.554 -4.323 4.926 721 1HB ALA 93 1HB ALA 93 -7.294 -2.831 5.043 722 2HB ALA 93 2HB ALA 93 -8.403 -1.871 6.015 723 3HB ALA 93 3HB ALA 93 -8.822 -2.287 4.354 724 H TYR 94 H TYR 94 -7.759 -3.957 7.935 725 HA TYR 94 HA TYR 94 -5.605 -5.636 7.302 726 1HB TYR 94 1HB TYR 94 -6.733 -5.504 10.086 727 2HB TYR 94 2HB TYR 94 -5.056 -5.669 9.588 728 HD1 TYR 94 HD1 TYR 94 -4.943 -3.401 7.606 729 HD2 TYR 94 HD2 TYR 94 -6.621 -3.646 11.499 730 HE1 TYR 94 HE1 TYR 94 -4.629 -0.987 7.877 731 HE2 TYR 94 HE2 TYR 94 -6.310 -1.225 11.789 732 HH TYR 94 HH TYR 94 -4.701 0.561 10.762 733 H GLN 95 H GLN 95 -8.872 -6.335 8.044 734 HA GLN 95 HA GLN 95 -8.441 -9.036 8.899 735 1HB GLN 95 1HB GLN 95 -10.635 -9.047 9.419 736 2HB GLN 95 2HB GLN 95 -10.516 -7.313 9.175 737 1HG GLN 95 1HG GLN 95 -11.069 -8.116 6.659 738 2HG GLN 95 2HG GLN 95 -11.898 -9.363 7.583 739 1HE2 GLN 95 1HE2 GLN 95 -12.818 -7.097 5.889 740 2HE2 GLN 95 2HE2 GLN 95 -13.941 -6.229 6.881 741 H GLN 96 H GLN 96 -9.269 -7.468 5.855 742 HA GLN 96 HA GLN 96 -9.356 -10.066 4.555 743 1HB GLN 96 1HB GLN 96 -10.322 -8.925 2.643 744 2HB GLN 96 2HB GLN 96 -11.222 -8.552 4.114 745 1HG GLN 96 1HG GLN 96 -11.077 -6.503 3.074 746 2HG GLN 96 2HG GLN 96 -9.737 -6.446 4.218 747 1HE2 GLN 96 1HE2 GLN 96 -9.318 -4.677 2.515 748 2HE2 GLN 96 2HE2 GLN 96 -8.271 -5.133 1.219 749 H GLY 97 H GLY 97 -7.163 -7.512 5.034 750 1HA GLY 97 1HA GLY 97 -4.946 -8.494 4.003 751 2HA GLY 97 2HA GLY 97 -5.764 -8.024 2.521 752 H ALA 98 H ALA 98 -4.417 -6.840 5.538 753 HA ALA 98 HA ALA 98 -3.378 -4.520 4.303 754 1HB ALA 98 1HB ALA 98 -5.713 -3.823 4.427 755 2HB ALA 98 2HB ALA 98 -4.668 -2.814 5.427 756 3HB ALA 98 3HB ALA 98 -5.675 -4.051 6.172 757 H PHE 99 H PHE 99 -1.469 -4.500 5.203 758 HA PHE 99 HA PHE 99 -0.756 -5.617 7.636 759 1HB PHE 99 1HB PHE 99 0.854 -5.042 5.856 760 2HB PHE 99 2HB PHE 99 0.613 -3.333 6.199 761 HD1 PHE 99 HD1 PHE 99 1.038 -6.208 8.525 762 HD2 PHE 99 HD2 PHE 99 2.634 -2.558 7.016 763 HE1 PHE 99 HE1 PHE 99 2.830 -6.300 10.209 764 HE2 PHE 99 HE2 PHE 99 4.430 -2.648 8.698 765 HZ PHE 99 HZ PHE 99 4.529 -4.521 10.296 766 H ASP 100 H ASP 100 -1.410 -2.183 6.885 767 HA ASP 100 HA ASP 100 -2.728 -1.614 9.254 768 1HB ASP 100 1HB ASP 100 -0.018 -2.056 9.799 769 2HB ASP 100 2HB ASP 100 -0.210 -0.307 9.843 770 H TYR 101 H TYR 101 -1.759 0.936 9.904 771 HA TYR 101 HA TYR 101 -2.015 2.410 7.369 772 1HB TYR 101 1HB TYR 101 -3.664 2.562 9.823 773 2HB TYR 101 2HB TYR 101 -3.186 4.111 9.136 774 HD1 TYR 101 HD1 TYR 101 -4.652 0.847 8.050 775 HD2 TYR 101 HD2 TYR 101 -4.545 5.062 7.553 776 HE1 TYR 101 HE1 TYR 101 -6.488 0.689 6.428 777 HE2 TYR 101 HE2 TYR 101 -6.385 4.921 5.932 778 HH TYR 101 HH TYR 101 -7.384 3.271 4.416 779 H LEU 102 H LEU 102 -0.537 3.958 7.071 780 HA LEU 102 HA LEU 102 1.214 4.662 9.333 781 1HB LEU 102 1HB LEU 102 2.380 3.570 7.518 782 2HB LEU 102 2HB LEU 102 1.692 4.675 6.350 783 HG LEU 102 HG LEU 102 2.987 6.445 7.914 784 1HD1 LEU 102 1HD1 LEU 102 4.341 5.431 9.362 785 2HD1 LEU 102 2HD1 LEU 102 5.295 4.911 7.974 786 3HD1 LEU 102 3HD1 LEU 102 4.052 3.851 8.636 787 1HD2 LEU 102 1HD2 LEU 102 4.716 5.060 5.948 788 2HD2 LEU 102 2HD2 LEU 102 4.299 6.767 6.092 789 3HD2 LEU 102 3HD2 LEU 102 3.155 5.641 5.364 790 HA PRO 103 HA PRO 103 -0.405 8.792 9.275 791 1HB PRO 103 1HB PRO 103 1.887 10.167 9.977 792 2HB PRO 103 2HB PRO 103 0.813 9.362 11.119 793 1HG PRO 103 1HG PRO 103 3.383 8.395 9.933 794 2HG PRO 103 2HG PRO 103 2.788 8.243 11.598 795 1HD PRO 103 1HD PRO 103 2.673 6.186 9.886 796 2HD PRO 103 2HD PRO 103 1.377 6.478 11.063 797 H LYS 104 H LYS 104 -0.123 10.873 8.143 798 HA LYS 104 HA LYS 104 0.108 10.763 5.489 799 1HB LYS 104 1HB LYS 104 -0.169 12.824 7.246 800 2HB LYS 104 2HB LYS 104 1.361 13.226 6.476 801 1HG LYS 104 1HG LYS 104 -1.260 12.725 5.076 802 2HG LYS 104 2HG LYS 104 -0.477 14.288 5.313 803 1HD LYS 104 1HD LYS 104 0.532 13.980 3.348 804 2HD LYS 104 2HD LYS 104 1.469 12.693 4.108 805 1HE LYS 104 1HE LYS 104 -0.776 11.336 3.551 806 2HE LYS 104 2HE LYS 104 -0.843 12.536 2.263 807 1HZ LYS 104 1HZ LYS 104 0.354 10.796 1.328 808 2HZ LYS 104 2HZ LYS 104 1.206 10.470 2.757 809 3HZ LYS 104 3HZ LYS 104 1.580 11.845 1.851 810 HA PRO 105 HA PRO 105 4.963 11.867 5.671 811 1HB PRO 105 1HB PRO 105 5.405 9.925 7.909 812 2HB PRO 105 2HB PRO 105 6.324 11.375 7.487 813 1HG PRO 105 1HG PRO 105 4.613 11.416 9.520 814 2HG PRO 105 2HG PRO 105 4.752 12.806 8.428 815 1HD PRO 105 1HD PRO 105 2.613 10.753 8.615 816 2HD PRO 105 2HD PRO 105 2.495 12.461 8.160 817 H PHE 106 H PHE 106 6.579 10.353 4.766 818 HA PHE 106 HA PHE 106 5.934 7.587 4.523 819 1HB PHE 106 1HB PHE 106 4.334 9.020 2.974 820 2HB PHE 106 2HB PHE 106 5.719 9.012 1.901 821 HD1 PHE 106 HD1 PHE 106 3.563 6.709 3.865 822 HD2 PHE 106 HD2 PHE 106 5.993 7.267 0.419 823 HE1 PHE 106 HE1 PHE 106 2.874 4.501 3.027 824 HE2 PHE 106 HE2 PHE 106 5.306 5.063 -0.426 825 HZ PHE 106 HZ PHE 106 3.744 3.677 0.875 826 H ASP 107 H ASP 107 7.280 9.373 1.801 827 HA ASP 107 HA ASP 107 9.300 9.094 0.777 828 1HB ASP 107 1HB ASP 107 11.072 10.162 1.920 829 2HB ASP 107 2HB ASP 107 9.608 10.909 2.548 830 H ILE 108 H ILE 108 11.734 8.171 1.432 831 HA ILE 108 HA ILE 108 11.326 5.381 1.480 832 HB ILE 108 HB ILE 108 13.691 7.135 1.339 833 1HG1 ILE 108 1HG1 ILE 108 13.975 6.180 -0.778 834 2HG1 ILE 108 2HG1 ILE 108 13.054 4.743 -0.341 835 1HG2 ILE 108 1HG2 ILE 108 15.302 5.462 1.602 836 2HG2 ILE 108 2HG2 ILE 108 14.102 4.178 1.551 837 3HG2 ILE 108 3HG2 ILE 108 14.215 5.222 2.966 838 1HD1 ILE 108 1HD1 ILE 108 11.005 5.949 -0.415 839 2HD1 ILE 108 2HD1 ILE 108 11.889 6.284 -1.895 840 3HD1 ILE 108 3HD1 ILE 108 11.848 7.482 -0.608 841 H ASP 109 H ASP 109 12.690 7.591 3.813 842 HA ASP 109 HA ASP 109 13.464 5.806 5.748 843 1HB ASP 109 1HB ASP 109 13.874 8.264 5.802 844 2HB ASP 109 2HB ASP 109 12.193 8.502 6.270 845 H GLU 110 H GLU 110 10.281 7.460 5.662 846 HA GLU 110 HA GLU 110 9.273 5.786 7.723 847 1HB GLU 110 1HB GLU 110 7.712 7.663 5.962 848 2HB GLU 110 2HB GLU 110 7.226 7.029 7.525 849 1HG GLU 110 1HG GLU 110 9.759 8.552 7.402 850 2HG GLU 110 2HG GLU 110 8.253 9.451 7.209 851 H ALA 111 H ALA 111 9.102 5.676 4.227 852 HA ALA 111 HA ALA 111 6.934 3.781 4.304 853 1HB ALA 111 1HB ALA 111 7.113 5.391 2.465 854 2HB ALA 111 2HB ALA 111 7.081 3.719 1.902 855 3HB ALA 111 3HB ALA 111 8.605 4.604 1.944 856 H VAL 112 H VAL 112 10.361 3.644 3.265 857 HA VAL 112 HA VAL 112 10.429 0.884 2.850 858 HB VAL 112 HB VAL 112 12.723 2.545 3.887 859 1HG1 VAL 112 1HG1 VAL 112 13.355 0.432 2.020 860 2HG1 VAL 112 2HG1 VAL 112 12.491 -0.197 3.425 861 3HG1 VAL 112 3HG1 VAL 112 13.983 0.722 3.644 862 1HG2 VAL 112 1HG2 VAL 112 12.291 3.715 1.995 863 2HG2 VAL 112 2HG2 VAL 112 11.427 2.381 1.232 864 3HG2 VAL 112 3HG2 VAL 112 13.190 2.389 1.261 865 H ALA 113 H ALA 113 10.641 2.790 5.732 866 HA ALA 113 HA ALA 113 11.633 0.909 7.548 867 1HB ALA 113 1HB ALA 113 11.407 2.707 8.853 868 2HB ALA 113 2HB ALA 113 9.659 2.461 8.847 869 3HB ALA 113 3HB ALA 113 10.404 3.486 7.628 870 H LEU 114 H LEU 114 8.315 1.792 6.753 871 HA LEU 114 HA LEU 114 7.143 -0.282 8.286 872 1HB LEU 114 1HB LEU 114 6.084 1.896 7.829 873 2HB LEU 114 2HB LEU 114 5.920 1.439 6.145 874 HG LEU 114 HG LEU 114 4.481 -0.484 6.894 875 1HD1 LEU 114 1HD1 LEU 114 3.436 -0.124 9.178 876 2HD1 LEU 114 2HD1 LEU 114 4.812 0.922 9.529 877 3HD1 LEU 114 3HD1 LEU 114 5.071 -0.781 9.152 878 1HD2 LEU 114 1HD2 LEU 114 2.514 0.940 7.317 879 2HD2 LEU 114 2HD2 LEU 114 3.504 1.527 5.981 880 3HD2 LEU 114 3HD2 LEU 114 3.593 2.313 7.554 881 H VAL 115 H VAL 115 8.332 -0.168 5.031 882 HA VAL 115 HA VAL 115 6.640 -2.311 4.141 883 HB VAL 115 HB VAL 115 7.593 -0.555 2.590 884 1HG1 VAL 115 1HG1 VAL 115 9.975 -0.949 3.496 885 2HG1 VAL 115 2HG1 VAL 115 9.760 -0.683 1.772 886 3HG1 VAL 115 3HG1 VAL 115 10.005 -2.317 2.389 887 1HG2 VAL 115 1HG2 VAL 115 8.234 -2.605 0.922 888 2HG2 VAL 115 2HG2 VAL 115 6.591 -2.093 1.305 889 3HG2 VAL 115 3HG2 VAL 115 7.321 -3.441 2.177 890 H GLU 116 H GLU 116 10.101 -2.060 4.914 891 HA GLU 116 HA GLU 116 10.661 -4.791 4.488 892 1HB GLU 116 1HB GLU 116 12.075 -2.666 6.095 893 2HB GLU 116 2HB GLU 116 12.712 -4.292 5.885 894 1HG GLU 116 1HG GLU 116 12.797 -3.972 3.478 895 2HG GLU 116 2HG GLU 116 12.097 -2.363 3.654 896 H ARG 117 H ARG 117 9.709 -2.972 7.366 897 HA ARG 117 HA ARG 117 10.028 -5.100 9.193 898 1HB ARG 117 1HB ARG 117 8.803 -3.762 10.756 899 2HB ARG 117 2HB ARG 117 9.822 -2.681 9.814 900 1HG ARG 117 1HG ARG 117 7.940 -1.987 8.486 901 2HG ARG 117 2HG ARG 117 6.897 -3.165 9.287 902 1HD ARG 117 1HD ARG 117 6.429 -1.107 10.329 903 2HD ARG 117 2HD ARG 117 7.464 -1.978 11.455 904 HE ARG 117 HE ARG 117 8.146 0.405 9.933 905 1HH1 ARG 117 1HH1 ARG 117 9.242 -2.188 12.000 906 2HH1 ARG 117 2HH1 ARG 117 10.668 -1.348 12.504 907 1HH2 ARG 117 1HH2 ARG 117 10.026 1.504 10.590 908 2HH2 ARG 117 2HH2 ARG 117 11.116 0.745 11.703 909 H ALA 118 H ALA 118 7.549 -4.248 6.948 910 HA ALA 118 HA ALA 118 5.448 -5.785 8.073 911 1HB ALA 118 1HB ALA 118 4.452 -5.572 5.760 912 2HB ALA 118 2HB ALA 118 5.899 -4.665 5.320 913 3HB ALA 118 3HB ALA 118 4.829 -4.058 6.581 914 H ILE 119 H ILE 119 7.657 -6.384 5.336 915 HA ILE 119 HA ILE 119 6.750 -9.001 4.819 916 HB ILE 119 HB ILE 119 9.501 -7.920 4.229 917 1HG1 ILE 119 1HG1 ILE 119 7.414 -7.858 2.134 918 2HG1 ILE 119 2HG1 ILE 119 7.227 -6.683 3.433 919 1HG2 ILE 119 1HG2 ILE 119 7.856 -10.100 2.959 920 2HG2 ILE 119 2HG2 ILE 119 9.354 -10.287 3.873 921 3HG2 ILE 119 3HG2 ILE 119 9.373 -9.476 2.306 922 1HD1 ILE 119 1HD1 ILE 119 9.769 -7.022 1.878 923 2HD1 ILE 119 2HD1 ILE 119 9.326 -5.706 2.967 924 3HD1 ILE 119 3HD1 ILE 119 8.492 -5.893 1.423 925 H SER 120 H SER 120 9.117 -7.695 6.993 926 HA SER 120 HA SER 120 10.439 -10.117 7.617 927 1HB SER 120 1HB SER 120 11.060 -7.578 8.105 928 2HB SER 120 2HB SER 120 10.268 -7.929 9.639 929 HG SER 120 HG SER 120 11.881 -9.953 9.141 930 H HIS 121 H HIS 121 7.756 -8.362 9.120 931 HA HIS 121 HA HIS 121 7.438 -10.029 11.351 932 1HB HIS 121 1HB HIS 121 5.707 -8.073 9.915 933 2HB HIS 121 2HB HIS 121 4.946 -9.155 11.076 934 HD1 HIS 121 HD1 HIS 121 8.391 -7.790 11.656 935 HD2 HIS 121 HD2 HIS 121 4.493 -7.138 12.938 936 HE1 HIS 121 HE1 HIS 121 8.583 -6.246 13.631 937 HE2 HIS 121 HE2 HIS 121 6.206 -5.803 14.343 938 H TYR 122 H TYR 122 6.571 -10.456 8.046 939 HA TYR 122 HA TYR 122 4.521 -12.373 8.377 940 1HB TYR 122 1HB TYR 122 6.178 -11.365 6.151 941 2HB TYR 122 2HB TYR 122 5.564 -13.003 5.951 942 HD1 TYR 122 HD1 TYR 122 4.919 -10.081 4.671 943 HD2 TYR 122 HD2 TYR 122 2.928 -12.807 7.259 944 HE1 TYR 122 HE1 TYR 122 2.751 -9.175 3.947 945 HE2 TYR 122 HE2 TYR 122 0.754 -11.911 6.541 946 HH TYR 122 HH TYR 122 -0.132 -9.788 5.568 947 H GLN 123 H GLN 123 8.019 -12.652 7.900 948 HA GLN 123 HA GLN 123 7.997 -15.502 7.910 949 1HB GLN 123 1HB GLN 123 9.792 -13.600 7.103 950 2HB GLN 123 2HB GLN 123 10.533 -14.196 8.580 951 1HG GLN 123 1HG GLN 123 10.348 -16.500 7.682 952 2HG GLN 123 2HG GLN 123 9.751 -15.818 6.170 953 1HE2 GLN 123 1HE2 GLN 123 11.270 -15.849 4.687 954 2HE2 GLN 123 2HE2 GLN 123 12.942 -15.487 4.925 955 H GLU 124 H GLU 124 9.474 -16.686 9.510 956 HA GLU 124 HA GLU 124 8.560 -15.986 12.191 957 1HB GLU 124 1HB GLU 124 8.326 -18.315 11.164 958 2HB GLU 124 2HB GLU 124 10.062 -18.476 11.399 959 1HG GLU 124 1HG GLU 124 9.314 -17.680 13.862 960 2HG GLU 124 2HG GLU 124 7.869 -18.555 13.354 Start of MODEL 17 1 1H MET 1 1H MET 1 7.065 -18.489 -2.857 2 2H MET 1 2H MET 1 5.981 -17.570 -1.895 3 3H MET 1 3H MET 1 7.212 -18.504 -1.149 4 HA MET 1 HA MET 1 7.546 -16.034 -1.340 5 1HB MET 1 1HB MET 1 9.219 -18.244 -1.273 6 2HB MET 1 2HB MET 1 9.889 -17.270 -2.574 7 1HG MET 1 1HG MET 1 11.024 -16.317 -0.888 8 2HG MET 1 2HG MET 1 9.551 -15.363 -0.728 9 1HE MET 1 1HE MET 1 7.837 -15.583 1.255 10 2HE MET 1 2HE MET 1 9.317 -14.691 1.609 11 3HE MET 1 3HE MET 1 8.659 -15.815 2.798 12 H GLN 2 H GLN 2 9.164 -14.753 -2.852 13 HA GLN 2 HA GLN 2 8.829 -15.160 -5.665 14 1HB GLN 2 1HB GLN 2 6.980 -13.402 -4.210 15 2HB GLN 2 2HB GLN 2 7.758 -12.633 -5.586 16 1HG GLN 2 1HG GLN 2 6.549 -13.785 -7.059 17 2HG GLN 2 2HG GLN 2 6.752 -15.300 -6.181 18 1HE2 GLN 2 1HE2 GLN 2 4.993 -16.131 -5.324 19 2HE2 GLN 2 2HE2 GLN 2 3.549 -15.272 -4.925 20 H ARG 3 H ARG 3 9.639 -13.111 -6.869 21 HA ARG 3 HA ARG 3 12.263 -12.577 -5.994 22 1HB ARG 3 1HB ARG 3 12.184 -10.816 -7.848 23 2HB ARG 3 2HB ARG 3 11.910 -12.488 -8.319 24 1HG ARG 3 1HG ARG 3 9.694 -12.143 -8.780 25 2HG ARG 3 2HG ARG 3 9.559 -10.788 -7.657 26 1HD ARG 3 1HD ARG 3 9.574 -9.569 -9.549 27 2HD ARG 3 2HD ARG 3 11.321 -9.770 -9.422 28 HE ARG 3 HE ARG 3 10.870 -11.827 -10.897 29 1HH1 ARG 3 1HH1 ARG 3 9.116 -8.807 -11.100 30 2HH1 ARG 3 2HH1 ARG 3 8.728 -9.009 -12.774 31 1HH2 ARG 3 1HH2 ARG 3 10.354 -12.084 -13.093 32 2HH2 ARG 3 2HH2 ARG 3 9.430 -10.864 -13.904 33 H GLY 4 H GLY 4 9.350 -11.241 -4.974 34 1HA GLY 4 1HA GLY 4 9.139 -9.652 -3.257 35 2HA GLY 4 2HA GLY 4 10.772 -9.094 -3.605 36 H ILE 5 H ILE 5 7.431 -8.672 -4.225 37 HA ILE 5 HA ILE 5 8.085 -6.465 -6.063 38 HB ILE 5 HB ILE 5 5.510 -8.022 -6.151 39 1HG1 ILE 5 1HG1 ILE 5 6.950 -8.623 -8.454 40 2HG1 ILE 5 2HG1 ILE 5 8.149 -8.725 -7.171 41 1HG2 ILE 5 1HG2 ILE 5 6.597 -5.688 -7.524 42 2HG2 ILE 5 2HG2 ILE 5 4.929 -6.237 -7.369 43 3HG2 ILE 5 3HG2 ILE 5 5.969 -6.919 -8.619 44 1HD1 ILE 5 1HD1 ILE 5 6.100 -10.102 -6.067 45 2HD1 ILE 5 2HD1 ILE 5 7.417 -10.828 -6.991 46 3HD1 ILE 5 3HD1 ILE 5 5.880 -10.470 -7.778 47 H VAL 6 H VAL 6 7.783 -4.625 -5.097 48 HA VAL 6 HA VAL 6 5.641 -4.357 -3.105 49 HB VAL 6 HB VAL 6 7.988 -3.866 -2.365 50 1HG1 VAL 6 1HG1 VAL 6 8.859 -1.605 -3.093 51 2HG1 VAL 6 2HG1 VAL 6 7.749 -1.724 -4.442 52 3HG1 VAL 6 3HG1 VAL 6 9.016 -2.927 -4.241 53 1HG2 VAL 6 1HG2 VAL 6 6.840 -2.707 -0.855 54 2HG2 VAL 6 2HG2 VAL 6 5.642 -2.210 -2.048 55 3HG2 VAL 6 3HG2 VAL 6 7.123 -1.273 -1.841 56 H TRP 7 H TRP 7 3.864 -3.283 -3.741 57 HA TRP 7 HA TRP 7 4.182 -1.348 -5.932 58 1HB TRP 7 1HB TRP 7 1.947 -3.240 -5.289 59 2HB TRP 7 2HB TRP 7 1.633 -1.773 -6.218 60 HD1 TRP 7 HD1 TRP 7 5.004 -2.824 -7.083 61 HE1 TRP 7 HE1 TRP 7 5.064 -4.098 -9.307 62 HE3 TRP 7 HE3 TRP 7 0.012 -3.821 -7.574 63 HZ2 TRP 7 HZ2 TRP 7 3.246 -5.372 -11.040 64 HZ3 TRP 7 HZ3 TRP 7 -0.742 -5.076 -9.555 65 HH2 TRP 7 HH2 TRP 7 0.844 -5.836 -11.248 66 H VAL 8 H VAL 8 3.190 0.643 -5.794 67 HA VAL 8 HA VAL 8 2.091 1.364 -3.178 68 HB VAL 8 HB VAL 8 4.090 2.256 -2.784 69 1HG1 VAL 8 1HG1 VAL 8 4.707 2.285 -5.686 70 2HG1 VAL 8 2HG1 VAL 8 5.169 1.042 -4.532 71 3HG1 VAL 8 3HG1 VAL 8 5.844 2.662 -4.398 72 1HG2 VAL 8 1HG2 VAL 8 4.375 4.528 -3.393 73 2HG2 VAL 8 2HG2 VAL 8 2.659 4.205 -3.155 74 3HG2 VAL 8 3HG2 VAL 8 3.316 4.317 -4.790 75 H VAL 9 H VAL 9 0.723 3.174 -3.118 76 HA VAL 9 HA VAL 9 0.070 4.387 -5.706 77 HB VAL 9 HB VAL 9 -2.198 3.938 -3.832 78 1HG1 VAL 9 1HG1 VAL 9 -3.015 3.487 -6.418 79 2HG1 VAL 9 2HG1 VAL 9 -1.728 4.678 -6.607 80 3HG1 VAL 9 3HG1 VAL 9 -3.088 5.024 -5.560 81 1HG2 VAL 9 1HG2 VAL 9 -2.461 1.831 -5.562 82 2HG2 VAL 9 2HG2 VAL 9 -1.966 1.711 -3.874 83 3HG2 VAL 9 3HG2 VAL 9 -0.745 1.771 -5.148 84 H ASP 10 H ASP 10 0.758 6.402 -5.413 85 HA ASP 10 HA ASP 10 -0.571 8.348 -4.070 86 1HB ASP 10 1HB ASP 10 0.166 7.110 -1.978 87 2HB ASP 10 2HB ASP 10 1.806 7.620 -2.352 88 H ASP 11 H ASP 11 0.022 10.107 -5.094 89 HA ASP 11 HA ASP 11 1.236 11.736 -6.089 90 1HB ASP 11 1HB ASP 11 3.032 10.607 -4.209 91 2HB ASP 11 2HB ASP 11 3.934 10.895 -5.694 92 H ASP 12 H ASP 12 2.491 8.454 -6.583 93 HA ASP 12 HA ASP 12 2.880 7.298 -8.492 94 1HB ASP 12 1HB ASP 12 0.892 8.601 -9.364 95 2HB ASP 12 2HB ASP 12 2.035 9.745 -10.054 96 H SER 13 H SER 13 3.728 9.531 -10.789 97 HA SER 13 HA SER 13 6.251 8.951 -11.235 98 1HB SER 13 1HB SER 13 4.885 10.711 -12.406 99 2HB SER 13 2HB SER 13 5.402 11.840 -11.153 100 HG SER 13 HG SER 13 7.417 11.797 -11.915 101 H SER 14 H SER 14 5.360 11.299 -8.769 102 HA SER 14 HA SER 14 7.983 11.927 -7.951 103 1HB SER 14 1HB SER 14 6.079 13.352 -7.373 104 2HB SER 14 2HB SER 14 5.397 12.064 -6.380 105 HG SER 14 HG SER 14 7.055 12.297 -4.941 106 H ILE 15 H ILE 15 5.588 9.950 -6.206 107 HA ILE 15 HA ILE 15 7.436 8.904 -4.374 108 HB ILE 15 HB ILE 15 4.681 7.992 -5.207 109 1HG1 ILE 15 1HG1 ILE 15 4.993 10.151 -3.970 110 2HG1 ILE 15 2HG1 ILE 15 3.973 8.977 -3.147 111 1HG2 ILE 15 1HG2 ILE 15 4.676 6.222 -3.797 112 2HG2 ILE 15 2HG2 ILE 15 5.817 6.956 -2.675 113 3HG2 ILE 15 3HG2 ILE 15 6.397 6.206 -4.156 114 1HD1 ILE 15 1HD1 ILE 15 6.038 10.359 -2.023 115 2HD1 ILE 15 2HD1 ILE 15 6.782 8.803 -2.392 116 3HD1 ILE 15 3HD1 ILE 15 5.334 8.872 -1.389 117 H ARG 16 H ARG 16 6.648 7.969 -7.603 118 HA ARG 16 HA ARG 16 7.446 5.278 -7.562 119 1HB ARG 16 1HB ARG 16 6.258 6.554 -9.442 120 2HB ARG 16 2HB ARG 16 7.853 7.115 -9.915 121 1HG ARG 16 1HG ARG 16 8.555 4.999 -10.551 122 2HG ARG 16 2HG ARG 16 7.309 4.192 -9.597 123 1HD ARG 16 1HD ARG 16 5.670 4.574 -11.163 124 2HD ARG 16 2HD ARG 16 6.482 5.995 -11.817 125 HE ARG 16 HE ARG 16 7.575 3.301 -12.267 126 1HH1 ARG 16 1HH1 ARG 16 6.313 6.309 -13.533 127 2HH1 ARG 16 2HH1 ARG 16 6.753 5.943 -15.165 128 1HH2 ARG 16 1HH2 ARG 16 8.144 2.829 -14.417 129 2HH2 ARG 16 2HH2 ARG 16 7.788 3.974 -15.668 130 H TRP 17 H TRP 17 9.290 8.112 -8.664 131 HA TRP 17 HA TRP 17 11.705 6.839 -9.117 132 1HB TRP 17 1HB TRP 17 11.170 9.114 -9.873 133 2HB TRP 17 2HB TRP 17 11.273 9.684 -8.210 134 HD1 TRP 17 HD1 TRP 17 13.578 8.014 -10.847 135 HE1 TRP 17 HE1 TRP 17 15.975 8.860 -10.444 136 HE3 TRP 17 HE3 TRP 17 12.739 10.848 -6.678 137 HZ2 TRP 17 HZ2 TRP 17 17.332 10.514 -8.600 138 HZ3 TRP 17 HZ3 TRP 17 14.642 12.029 -5.652 139 HH2 TRP 17 HH2 TRP 17 16.889 11.866 -6.596 140 H VAL 18 H VAL 18 10.616 8.448 -6.132 141 HA VAL 18 HA VAL 18 13.031 8.069 -4.745 142 HB VAL 18 HB VAL 18 10.456 8.153 -3.241 143 1HG1 VAL 18 1HG1 VAL 18 12.866 8.112 -2.283 144 2HG1 VAL 18 2HG1 VAL 18 11.683 9.231 -1.606 145 3HG1 VAL 18 3HG1 VAL 18 12.893 9.813 -2.749 146 1HG2 VAL 18 1HG2 VAL 18 11.506 10.274 -5.051 147 2HG2 VAL 18 2HG2 VAL 18 10.779 10.746 -3.514 148 3HG2 VAL 18 3HG2 VAL 18 9.842 9.820 -4.685 149 H LEU 19 H LEU 19 10.085 6.146 -4.793 150 HA LEU 19 HA LEU 19 11.169 4.248 -2.945 151 1HB LEU 19 1HB LEU 19 8.645 4.993 -3.497 152 2HB LEU 19 2HB LEU 19 8.744 3.527 -4.453 153 HG LEU 19 HG LEU 19 9.417 2.278 -2.417 154 1HD1 LEU 19 1HD1 LEU 19 8.937 3.455 -0.228 155 2HD1 LEU 19 2HD1 LEU 19 9.013 4.963 -1.139 156 3HD1 LEU 19 3HD1 LEU 19 10.426 3.909 -1.059 157 1HD2 LEU 19 1HD2 LEU 19 6.975 3.365 -1.373 158 2HD2 LEU 19 2HD2 LEU 19 7.260 1.816 -2.166 159 3HD2 LEU 19 3HD2 LEU 19 6.883 3.244 -3.127 160 H GLU 20 H GLU 20 11.049 4.493 -6.395 161 HA GLU 20 HA GLU 20 11.265 1.733 -6.945 162 1HB GLU 20 1HB GLU 20 11.903 2.335 -9.174 163 2HB GLU 20 2HB GLU 20 10.598 3.376 -8.646 164 1HG GLU 20 1HG GLU 20 12.214 5.160 -8.234 165 2HG GLU 20 2HG GLU 20 13.508 4.104 -8.795 166 H ARG 21 H ARG 21 13.763 4.235 -6.947 167 HA ARG 21 HA ARG 21 15.902 2.440 -7.304 168 1HB ARG 21 1HB ARG 21 15.869 5.234 -6.165 169 2HB ARG 21 2HB ARG 21 17.332 4.348 -6.569 170 1HG ARG 21 1HG ARG 21 15.439 4.415 -8.769 171 2HG ARG 21 2HG ARG 21 15.923 6.027 -8.238 172 1HD ARG 21 1HD ARG 21 17.971 3.893 -8.678 173 2HD ARG 21 2HD ARG 21 17.324 4.797 -10.046 174 HE ARG 21 HE ARG 21 18.057 6.823 -8.633 175 1HH1 ARG 21 1HH1 ARG 21 19.755 3.769 -8.800 176 2HH1 ARG 21 2HH1 ARG 21 21.294 4.470 -8.443 177 1HH2 ARG 21 1HH2 ARG 21 20.085 7.735 -8.170 178 2HH2 ARG 21 2HH2 ARG 21 21.484 6.717 -8.088 179 H ALA 22 H ALA 22 14.901 4.156 -4.324 180 HA ALA 22 HA ALA 22 16.728 2.973 -2.619 181 1HB ALA 22 1HB ALA 22 15.078 3.492 -0.797 182 2HB ALA 22 2HB ALA 22 13.963 4.004 -2.064 183 3HB ALA 22 3HB ALA 22 15.497 4.847 -1.847 184 H LEU 23 H LEU 23 13.499 1.844 -3.438 185 HA LEU 23 HA LEU 23 13.613 -0.420 -1.732 186 1HB LEU 23 1HB LEU 23 11.555 0.722 -2.785 187 2HB LEU 23 2HB LEU 23 11.908 -0.260 -4.191 188 HG LEU 23 HG LEU 23 10.169 -1.056 -2.425 189 1HD1 LEU 23 1HD1 LEU 23 12.234 -3.029 -3.353 190 2HD1 LEU 23 2HD1 LEU 23 11.046 -2.292 -4.427 191 3HD1 LEU 23 3HD1 LEU 23 10.510 -3.300 -3.079 192 1HD2 LEU 23 1HD2 LEU 23 12.664 -2.176 -1.181 193 2HD2 LEU 23 2HD2 LEU 23 10.999 -2.379 -0.639 194 3HD2 LEU 23 3HD2 LEU 23 11.776 -0.800 -0.527 195 H ALA 24 H ALA 24 14.742 0.242 -4.927 196 HA ALA 24 HA ALA 24 15.020 -2.434 -5.807 197 1HB ALA 24 1HB ALA 24 15.906 0.214 -6.714 198 2HB ALA 24 2HB ALA 24 15.318 -1.166 -7.643 199 3HB ALA 24 3HB ALA 24 17.004 -1.104 -7.127 200 H GLY 25 H GLY 25 16.930 -0.273 -3.820 201 1HA GLY 25 1HA GLY 25 19.351 -1.727 -3.819 202 2HA GLY 25 2HA GLY 25 18.806 -0.641 -2.543 203 H ALA 26 H ALA 26 16.322 -2.180 -2.159 204 HA ALA 26 HA ALA 26 17.327 -4.042 -0.239 205 1HB ALA 26 1HB ALA 26 14.810 -4.509 0.042 206 2HB ALA 26 2HB ALA 26 14.589 -3.144 -1.054 207 3HB ALA 26 3HB ALA 26 15.424 -2.916 0.482 208 H GLY 27 H GLY 27 16.497 -4.215 -3.535 209 1HA GLY 27 1HA GLY 27 16.982 -6.113 -4.851 210 2HA GLY 27 2HA GLY 27 16.775 -7.122 -3.432 211 H LEU 28 H LEU 28 14.337 -4.716 -4.260 212 HA LEU 28 HA LEU 28 12.716 -6.849 -5.403 213 1HB LEU 28 1HB LEU 28 11.213 -5.007 -3.697 214 2HB LEU 28 2HB LEU 28 11.047 -6.735 -3.907 215 HG LEU 28 HG LEU 28 13.331 -6.715 -2.518 216 1HD1 LEU 28 1HD1 LEU 28 13.014 -5.022 -0.673 217 2HD1 LEU 28 2HD1 LEU 28 11.902 -4.188 -1.755 218 3HD1 LEU 28 3HD1 LEU 28 13.591 -4.393 -2.217 219 1HD2 LEU 28 1HD2 LEU 28 10.979 -6.357 -0.795 220 2HD2 LEU 28 2HD2 LEU 28 12.093 -7.718 -0.934 221 3HD2 LEU 28 3HD2 LEU 28 10.782 -7.527 -2.100 222 H THR 29 H THR 29 10.586 -5.942 -6.290 223 HA THR 29 HA THR 29 11.302 -3.692 -8.012 224 HB THR 29 HB THR 29 9.110 -5.763 -8.147 225 HG1 THR 29 HG1 THR 29 10.686 -6.730 -9.127 226 1HG2 THR 29 1HG2 THR 29 7.915 -4.325 -9.350 227 2HG2 THR 29 2HG2 THR 29 9.130 -4.578 -10.602 228 3HG2 THR 29 3HG2 THR 29 9.260 -3.197 -9.514 229 H CYS 30 H CYS 30 10.450 -1.721 -7.832 230 HA CYS 30 HA CYS 30 8.067 -1.381 -6.130 231 1HB CYS 30 1HB CYS 30 10.448 -0.538 -5.338 232 2HB CYS 30 2HB CYS 30 10.045 0.819 -6.376 233 HG CYS 30 HG CYS 30 9.090 1.577 -4.206 234 H THR 31 H THR 31 6.405 -0.599 -7.131 235 HA THR 31 HA THR 31 6.787 1.405 -9.231 236 HB THR 31 HB THR 31 6.300 -0.983 -10.141 237 HG1 THR 31 HG1 THR 31 5.433 -0.018 -11.826 238 1HG2 THR 31 1HG2 THR 31 4.268 -1.042 -8.405 239 2HG2 THR 31 2HG2 THR 31 4.293 -1.944 -9.922 240 3HG2 THR 31 3HG2 THR 31 3.449 -0.401 -9.826 241 H THR 32 H THR 32 5.436 3.111 -8.967 242 HA THR 32 HA THR 32 3.483 2.899 -6.800 243 HB THR 32 HB THR 32 3.715 5.340 -6.544 244 HG1 THR 32 HG1 THR 32 4.722 5.273 -8.917 245 1HG2 THR 32 1HG2 THR 32 5.131 4.238 -5.061 246 2HG2 THR 32 2HG2 THR 32 6.201 5.351 -5.917 247 3HG2 THR 32 3HG2 THR 32 6.171 3.648 -6.358 248 H PHE 33 H PHE 33 1.580 4.178 -6.878 249 HA PHE 33 HA PHE 33 0.597 4.680 -9.610 250 1HB PHE 33 1HB PHE 33 -0.944 3.235 -7.458 251 2HB PHE 33 2HB PHE 33 -1.545 3.650 -9.057 252 HD1 PHE 33 HD1 PHE 33 1.413 1.938 -7.571 253 HD2 PHE 33 HD2 PHE 33 -1.578 1.899 -10.574 254 HE1 PHE 33 HE1 PHE 33 2.277 -0.195 -8.377 255 HE2 PHE 33 HE2 PHE 33 -0.735 -0.248 -11.402 256 HZ PHE 33 HZ PHE 33 1.188 -1.315 -10.304 257 H GLU 34 H GLU 34 -1.651 5.741 -9.495 258 HA GLU 34 HA GLU 34 -1.336 8.288 -8.401 259 1HB GLU 34 1HB GLU 34 -3.787 8.502 -9.117 260 2HB GLU 34 2HB GLU 34 -2.607 8.075 -10.350 261 1HG GLU 34 1HG GLU 34 -3.596 6.140 -10.783 262 2HG GLU 34 2HG GLU 34 -3.715 5.734 -9.074 263 H ASN 35 H ASN 35 -4.543 7.253 -7.737 264 HA ASN 35 HA ASN 35 -4.177 7.892 -4.960 265 1HB ASN 35 1HB ASN 35 -6.713 7.723 -4.905 266 2HB ASN 35 2HB ASN 35 -6.029 8.997 -5.907 267 1HD2 ASN 35 1HD2 ASN 35 -6.914 9.199 -7.822 268 2HD2 ASN 35 2HD2 ASN 35 -7.690 7.949 -8.728 269 H GLY 36 H GLY 36 -5.541 5.228 -6.813 270 1HA GLY 36 1HA GLY 36 -4.502 3.193 -5.223 271 2HA GLY 36 2HA GLY 36 -6.074 3.592 -4.567 272 H ASN 37 H ASN 37 -7.482 4.140 -6.891 273 HA ASN 37 HA ASN 37 -8.357 1.635 -7.626 274 1HB ASN 37 1HB ASN 37 -8.627 4.294 -9.002 275 2HB ASN 37 2HB ASN 37 -9.400 2.837 -9.622 276 1HD2 ASN 37 1HD2 ASN 37 -10.762 1.641 -8.020 277 2HD2 ASN 37 2HD2 ASN 37 -11.717 2.576 -6.927 278 H GLU 38 H GLU 38 -5.665 3.405 -8.816 279 HA GLU 38 HA GLU 38 -5.324 2.260 -11.329 280 1HB GLU 38 1HB GLU 38 -4.004 4.123 -10.031 281 2HB GLU 38 2HB GLU 38 -2.959 2.783 -9.595 282 1HG GLU 38 1HG GLU 38 -1.916 3.538 -11.478 283 2HG GLU 38 2HG GLU 38 -2.987 2.320 -12.169 284 H VAL 39 H VAL 39 -3.702 1.200 -8.270 285 HA VAL 39 HA VAL 39 -2.604 -1.122 -9.391 286 HB VAL 39 HB VAL 39 -3.389 -0.676 -6.507 287 1HG1 VAL 39 1HG1 VAL 39 -2.806 -3.075 -7.521 288 2HG1 VAL 39 2HG1 VAL 39 -2.287 -2.577 -5.915 289 3HG1 VAL 39 3HG1 VAL 39 -1.170 -2.477 -7.274 290 1HG2 VAL 39 1HG2 VAL 39 -1.743 0.811 -6.545 291 2HG2 VAL 39 2HG2 VAL 39 -1.302 0.373 -8.178 292 3HG2 VAL 39 3HG2 VAL 39 -0.628 -0.516 -6.823 293 H LEU 40 H LEU 40 -5.796 -0.593 -7.979 294 HA LEU 40 HA LEU 40 -6.677 -3.157 -7.588 295 1HB LEU 40 1HB LEU 40 -8.330 -1.048 -8.962 296 2HB LEU 40 2HB LEU 40 -8.911 -2.386 -7.991 297 HG LEU 40 HG LEU 40 -7.386 0.017 -6.989 298 1HD1 LEU 40 1HD1 LEU 40 -9.394 0.943 -6.847 299 2HD1 LEU 40 2HD1 LEU 40 -9.819 -0.295 -5.687 300 3HD1 LEU 40 3HD1 LEU 40 -10.177 -0.539 -7.392 301 1HD2 LEU 40 1HD2 LEU 40 -7.482 -2.567 -5.891 302 2HD2 LEU 40 2HD2 LEU 40 -8.606 -1.586 -4.947 303 3HD2 LEU 40 3HD2 LEU 40 -6.921 -1.084 -5.117 304 H ALA 41 H ALA 41 -6.592 -1.372 -10.639 305 HA ALA 41 HA ALA 41 -7.590 -3.561 -12.191 306 1HB ALA 41 1HB ALA 41 -7.826 -1.127 -12.774 307 2HB ALA 41 2HB ALA 41 -7.257 -2.165 -14.082 308 3HB ALA 41 3HB ALA 41 -6.113 -1.151 -13.199 309 H ALA 42 H ALA 42 -4.448 -2.084 -11.688 310 HA ALA 42 HA ALA 42 -2.944 -3.659 -13.439 311 1HB ALA 42 1HB ALA 42 -2.420 -1.720 -11.394 312 2HB ALA 42 2HB ALA 42 -1.417 -2.188 -12.766 313 3HB ALA 42 3HB ALA 42 -1.283 -3.060 -11.239 314 H LEU 43 H LEU 43 -4.151 -4.295 -10.242 315 HA LEU 43 HA LEU 43 -2.489 -6.527 -9.692 316 1HB LEU 43 1HB LEU 43 -4.937 -5.344 -8.492 317 2HB LEU 43 2HB LEU 43 -4.510 -6.988 -8.052 318 HG LEU 43 HG LEU 43 -2.531 -4.746 -7.837 319 1HD1 LEU 43 1HD1 LEU 43 -3.151 -4.400 -5.554 320 2HD1 LEU 43 2HD1 LEU 43 -4.352 -5.686 -5.633 321 3HD1 LEU 43 3HD1 LEU 43 -4.595 -4.196 -6.546 322 1HD2 LEU 43 1HD2 LEU 43 -1.259 -6.538 -7.433 323 2HD2 LEU 43 2HD2 LEU 43 -2.647 -7.587 -7.148 324 3HD2 LEU 43 3HD2 LEU 43 -2.044 -6.550 -5.855 325 H ALA 44 H ALA 44 -5.369 -6.098 -11.513 326 HA ALA 44 HA ALA 44 -6.505 -8.634 -11.388 327 1HB ALA 44 1HB ALA 44 -7.583 -6.692 -12.433 328 2HB ALA 44 2HB ALA 44 -7.580 -8.099 -13.497 329 3HB ALA 44 3HB ALA 44 -6.434 -6.785 -13.768 330 H SER 45 H SER 45 -3.526 -7.683 -12.780 331 HA SER 45 HA SER 45 -3.354 -10.241 -14.176 332 1HB SER 45 1HB SER 45 -2.951 -7.626 -15.191 333 2HB SER 45 2HB SER 45 -1.382 -8.430 -15.170 334 HG SER 45 HG SER 45 -2.593 -10.240 -16.205 335 H LYS 46 H LYS 46 -2.181 -8.518 -11.558 336 HA LYS 46 HA LYS 46 -0.124 -10.456 -11.105 337 1HB LYS 46 1HB LYS 46 0.681 -8.228 -12.490 338 2HB LYS 46 2HB LYS 46 1.042 -7.782 -10.828 339 1HG LYS 46 1HG LYS 46 1.973 -10.397 -11.098 340 2HG LYS 46 2HG LYS 46 2.435 -9.580 -12.592 341 1HD LYS 46 1HD LYS 46 3.184 -7.682 -10.923 342 2HD LYS 46 2HD LYS 46 3.264 -9.028 -9.784 343 1HE LYS 46 1HE LYS 46 4.578 -10.167 -11.772 344 2HE LYS 46 2HE LYS 46 4.891 -8.489 -12.216 345 1HZ LYS 46 1HZ LYS 46 5.328 -9.223 -9.429 346 2HZ LYS 46 2HZ LYS 46 6.196 -8.159 -10.416 347 3HZ LYS 46 3HZ LYS 46 6.435 -9.827 -10.557 348 H THR 47 H THR 47 0.842 -10.268 -8.947 349 HA THR 47 HA THR 47 -0.609 -8.528 -7.128 350 HB THR 47 HB THR 47 -0.339 -11.514 -6.800 351 HG1 THR 47 HG1 THR 47 -2.512 -9.781 -7.272 352 1HG2 THR 47 1HG2 THR 47 -0.094 -10.137 -4.659 353 2HG2 THR 47 2HG2 THR 47 -1.318 -11.407 -4.694 354 3HG2 THR 47 3HG2 THR 47 -1.793 -9.722 -4.897 355 HA PRO 48 HA PRO 48 3.666 -8.261 -5.726 356 1HB PRO 48 1HB PRO 48 3.398 -6.008 -4.282 357 2HB PRO 48 2HB PRO 48 3.461 -5.977 -6.048 358 1HG PRO 48 1HG PRO 48 1.107 -5.764 -4.228 359 2HG PRO 48 2HG PRO 48 1.439 -4.904 -5.739 360 1HD PRO 48 1HD PRO 48 -0.230 -7.083 -5.513 361 2HD PRO 48 2HD PRO 48 0.559 -6.566 -7.014 362 H ASP 49 H ASP 49 4.708 -8.251 -3.572 363 HA ASP 49 HA ASP 49 3.260 -9.909 -1.747 364 1HB ASP 49 1HB ASP 49 5.995 -8.633 -1.605 365 2HB ASP 49 2HB ASP 49 5.348 -9.658 -0.329 366 H VAL 50 H VAL 50 3.928 -6.523 -2.036 367 HA VAL 50 HA VAL 50 2.226 -5.993 0.284 368 HB VAL 50 HB VAL 50 4.540 -5.956 1.137 369 1HG1 VAL 50 1HG1 VAL 50 5.122 -3.589 -0.582 370 2HG1 VAL 50 2HG1 VAL 50 5.403 -5.224 -1.182 371 3HG1 VAL 50 3HG1 VAL 50 6.239 -4.658 0.268 372 1HG2 VAL 50 1HG2 VAL 50 3.767 -4.423 2.540 373 2HG2 VAL 50 2HG2 VAL 50 2.674 -3.790 1.317 374 3HG2 VAL 50 3HG2 VAL 50 4.317 -3.168 1.433 375 H LEU 51 H LEU 51 1.454 -3.670 0.254 376 HA LEU 51 HA LEU 51 1.865 -2.267 -2.249 377 1HB LEU 51 1HB LEU 51 0.132 -3.833 -2.850 378 2HB LEU 51 2HB LEU 51 -0.817 -3.380 -1.450 379 HG LEU 51 HG LEU 51 -0.823 -1.009 -2.534 380 1HD1 LEU 51 1HD1 LEU 51 -0.909 -1.348 -5.084 381 2HD1 LEU 51 2HD1 LEU 51 0.073 -2.781 -4.775 382 3HD1 LEU 51 3HD1 LEU 51 0.662 -1.185 -4.306 383 1HD2 LEU 51 1HD2 LEU 51 -2.421 -3.142 -3.919 384 2HD2 LEU 51 2HD2 LEU 51 -2.890 -1.480 -3.554 385 3HD2 LEU 51 3HD2 LEU 51 -2.734 -2.659 -2.251 386 H LEU 52 H LEU 52 1.497 -0.116 -2.153 387 HA LEU 52 HA LEU 52 0.674 0.990 0.449 388 1HB LEU 52 1HB LEU 52 2.680 1.709 -1.566 389 2HB LEU 52 2HB LEU 52 1.736 3.076 -1.014 390 HG LEU 52 HG LEU 52 2.685 1.455 1.202 391 1HD1 LEU 52 1HD1 LEU 52 5.054 2.079 0.992 392 2HD1 LEU 52 2HD1 LEU 52 4.743 2.657 -0.645 393 3HD1 LEU 52 3HD1 LEU 52 4.546 0.947 -0.261 394 1HD2 LEU 52 1HD2 LEU 52 3.717 3.820 1.668 395 2HD2 LEU 52 2HD2 LEU 52 1.979 3.549 1.810 396 3HD2 LEU 52 3HD2 LEU 52 2.640 4.308 0.358 397 H SER 53 H SER 53 -1.075 2.400 0.568 398 HA SER 53 HA SER 53 -2.405 3.063 -1.978 399 1HB SER 53 1HB SER 53 -3.681 1.283 -1.032 400 2HB SER 53 2HB SER 53 -3.638 2.017 0.570 401 HG SER 53 HG SER 53 -5.062 3.547 -0.083 402 H ASP 54 H ASP 54 -3.095 5.109 -2.240 403 HA ASP 54 HA ASP 54 -2.438 7.043 -0.193 404 1HB ASP 54 1HB ASP 54 -2.062 7.337 -2.722 405 2HB ASP 54 2HB ASP 54 -3.787 7.677 -2.810 406 H ILE 55 H ILE 55 -4.051 8.905 0.067 407 HA ILE 55 HA ILE 55 -6.806 7.987 0.275 408 HB ILE 55 HB ILE 55 -6.225 7.505 2.431 409 1HG1 ILE 55 1HG1 ILE 55 -6.583 10.431 2.974 410 2HG1 ILE 55 2HG1 ILE 55 -7.904 9.492 2.299 411 1HG2 ILE 55 1HG2 ILE 55 -4.531 8.458 3.738 412 2HG2 ILE 55 2HG2 ILE 55 -4.396 9.856 2.671 413 3HG2 ILE 55 3HG2 ILE 55 -3.874 8.266 2.115 414 1HD1 ILE 55 1HD1 ILE 55 -8.436 9.143 4.441 415 2HD1 ILE 55 2HD1 ILE 55 -6.818 9.546 5.010 416 3HD1 ILE 55 3HD1 ILE 55 -7.159 7.933 4.388 417 H ARG 56 H ARG 56 -7.157 9.428 -1.499 418 HA ARG 56 HA ARG 56 -6.915 12.281 -0.824 419 1HB ARG 56 1HB ARG 56 -6.270 10.804 -3.200 420 2HB ARG 56 2HB ARG 56 -7.492 12.010 -3.577 421 1HG ARG 56 1HG ARG 56 -5.991 13.681 -2.388 422 2HG ARG 56 2HG ARG 56 -4.745 12.433 -2.445 423 1HD ARG 56 1HD ARG 56 -5.389 12.350 -4.985 424 2HD ARG 56 2HD ARG 56 -6.005 13.969 -4.670 425 HE ARG 56 HE ARG 56 -3.770 14.619 -4.025 426 1HH1 ARG 56 1HH1 ARG 56 -4.025 11.545 -5.682 427 2HH1 ARG 56 2HH1 ARG 56 -2.372 11.549 -6.187 428 1HH2 ARG 56 1HH2 ARG 56 -1.599 14.607 -4.694 429 2HH2 ARG 56 2HH2 ARG 56 -0.996 13.279 -5.627 430 H MET 57 H MET 57 -9.056 10.711 0.146 431 HA MET 57 HA MET 57 -11.321 10.688 0.334 432 1HB MET 57 1HB MET 57 -10.509 13.263 0.298 433 2HB MET 57 2HB MET 57 -11.650 13.277 -1.040 434 1HG MET 57 1HG MET 57 -12.220 12.429 1.790 435 2HG MET 57 2HG MET 57 -12.742 13.922 1.013 436 1HE MET 57 1HE MET 57 -14.765 13.322 2.137 437 2HE MET 57 2HE MET 57 -15.913 12.056 1.704 438 3HE MET 57 3HE MET 57 -15.818 13.528 0.738 439 HA PRO 58 HA PRO 58 -12.033 9.860 -4.245 440 1HB PRO 58 1HB PRO 58 -11.806 7.151 -4.213 441 2HB PRO 58 2HB PRO 58 -10.449 8.231 -4.544 442 1HG PRO 58 1HG PRO 58 -11.110 6.726 -2.068 443 2HG PRO 58 2HG PRO 58 -9.529 7.151 -2.742 444 1HD PRO 58 1HD PRO 58 -10.786 8.443 -0.636 445 2HD PRO 58 2HD PRO 58 -9.471 9.117 -1.614 446 H GLY 59 H GLY 59 -12.874 7.250 -1.966 447 1HA GLY 59 1HA GLY 59 -15.727 7.832 -2.467 448 2HA GLY 59 2HA GLY 59 -15.104 6.188 -2.420 449 H MET 60 H MET 60 -13.249 6.914 -0.230 450 HA MET 60 HA MET 60 -14.907 7.635 2.010 451 1HB MET 60 1HB MET 60 -15.323 5.151 1.574 452 2HB MET 60 2HB MET 60 -13.648 4.890 2.036 453 1HG MET 60 1HG MET 60 -14.217 4.860 4.168 454 2HG MET 60 2HG MET 60 -14.872 6.490 4.035 455 1HE MET 60 1HE MET 60 -17.426 2.787 3.015 456 2HE MET 60 2HE MET 60 -15.772 2.615 3.602 457 3HE MET 60 3HE MET 60 -16.080 3.396 2.052 458 H ASP 61 H ASP 61 -13.065 9.174 1.421 459 HA ASP 61 HA ASP 61 -11.117 10.173 1.881 460 1HB ASP 61 1HB ASP 61 -10.180 9.772 4.194 461 2HB ASP 61 2HB ASP 61 -11.844 10.322 4.100 462 H GLY 62 H GLY 62 -10.166 7.129 3.495 463 1HA GLY 62 1HA GLY 62 -8.229 6.735 1.312 464 2HA GLY 62 2HA GLY 62 -7.672 6.799 2.971 465 H LEU 63 H LEU 63 -10.169 5.347 3.820 466 HA LEU 63 HA LEU 63 -9.040 2.739 3.572 467 1HB LEU 63 1HB LEU 63 -11.720 2.834 4.709 468 2HB LEU 63 2HB LEU 63 -10.235 2.195 5.383 469 HG LEU 63 HG LEU 63 -9.731 4.820 5.638 470 1HD1 LEU 63 1HD1 LEU 63 -11.931 5.766 6.563 471 2HD1 LEU 63 2HD1 LEU 63 -12.706 4.537 5.566 472 3HD1 LEU 63 3HD1 LEU 63 -11.683 5.761 4.821 473 1HD2 LEU 63 1HD2 LEU 63 -9.920 4.481 7.877 474 2HD2 LEU 63 2HD2 LEU 63 -9.973 2.809 7.317 475 3HD2 LEU 63 3HD2 LEU 63 -11.466 3.642 7.733 476 H ALA 64 H ALA 64 -11.376 4.523 1.825 477 HA ALA 64 HA ALA 64 -13.086 2.539 0.872 478 1HB ALA 64 1HB ALA 64 -12.257 4.469 -1.165 479 2HB ALA 64 2HB ALA 64 -12.718 5.206 0.366 480 3HB ALA 64 3HB ALA 64 -13.854 4.158 -0.482 481 H LEU 65 H LEU 65 -9.798 3.324 0.091 482 HA LEU 65 HA LEU 65 -9.570 1.834 -2.298 483 1HB LEU 65 1HB LEU 65 -7.534 2.764 -0.284 484 2HB LEU 65 2HB LEU 65 -7.105 1.944 -1.775 485 HG LEU 65 HG LEU 65 -8.409 3.831 -2.955 486 1HD1 LEU 65 1HD1 LEU 65 -7.855 5.912 -1.243 487 2HD1 LEU 65 2HD1 LEU 65 -8.543 4.689 -0.179 488 3HD1 LEU 65 3HD1 LEU 65 -9.452 5.245 -1.581 489 1HD2 LEU 65 1HD2 LEU 65 -6.443 5.032 -3.228 490 2HD2 LEU 65 2HD2 LEU 65 -5.885 3.426 -2.758 491 3HD2 LEU 65 3HD2 LEU 65 -5.914 4.728 -1.577 492 H LEU 66 H LEU 66 -9.167 1.078 1.096 493 HA LEU 66 HA LEU 66 -7.978 -1.456 0.793 494 1HB LEU 66 1HB LEU 66 -9.819 -0.569 3.011 495 2HB LEU 66 2HB LEU 66 -8.617 -1.844 3.084 496 HG LEU 66 HG LEU 66 -7.832 1.002 2.542 497 1HD1 LEU 66 1HD1 LEU 66 -7.612 -0.095 5.284 498 2HD1 LEU 66 2HD1 LEU 66 -9.191 0.487 4.755 499 3HD1 LEU 66 3HD1 LEU 66 -7.798 1.567 4.737 500 1HD2 LEU 66 1HD2 LEU 66 -5.746 0.076 3.731 501 2HD2 LEU 66 2HD2 LEU 66 -6.055 -0.415 2.066 502 3HD2 LEU 66 3HD2 LEU 66 -6.443 -1.507 3.396 503 H LYS 67 H LYS 67 -11.345 -0.395 0.990 504 HA LYS 67 HA LYS 67 -12.597 -2.877 1.046 505 1HB LYS 67 1HB LYS 67 -13.716 -0.642 1.289 506 2HB LYS 67 2HB LYS 67 -13.582 -0.445 -0.454 507 1HG LYS 67 1HG LYS 67 -14.941 -2.477 -0.760 508 2HG LYS 67 2HG LYS 67 -15.125 -2.589 0.992 509 1HD LYS 67 1HD LYS 67 -16.010 -0.158 0.799 510 2HD LYS 67 2HD LYS 67 -16.240 -0.558 -0.905 511 1HE LYS 67 1HE LYS 67 -17.382 -2.093 1.428 512 2HE LYS 67 2HE LYS 67 -18.270 -0.943 0.429 513 1HZ LYS 67 1HZ LYS 67 -18.438 -2.402 -1.260 514 2HZ LYS 67 2HZ LYS 67 -18.231 -3.553 -0.037 515 3HZ LYS 67 3HZ LYS 67 -16.914 -3.087 -0.989 516 H GLN 68 H GLN 68 -11.797 -0.866 -1.790 517 HA GLN 68 HA GLN 68 -12.601 -2.621 -3.778 518 1HB GLN 68 1HB GLN 68 -10.326 -0.633 -3.751 519 2HB GLN 68 2HB GLN 68 -10.896 -1.460 -5.193 520 1HG GLN 68 1HG GLN 68 -12.426 0.084 -5.500 521 2HG GLN 68 2HG GLN 68 -13.132 -0.285 -3.925 522 1HE2 GLN 68 1HE2 GLN 68 -10.006 1.173 -4.756 523 2HE2 GLN 68 2HE2 GLN 68 -10.282 2.655 -3.924 524 H ILE 69 H ILE 69 -9.493 -2.394 -2.104 525 HA ILE 69 HA ILE 69 -8.061 -4.252 -3.600 526 HB ILE 69 HB ILE 69 -7.776 -3.492 -0.699 527 1HG1 ILE 69 1HG1 ILE 69 -5.900 -2.665 -2.869 528 2HG1 ILE 69 2HG1 ILE 69 -7.464 -1.860 -2.765 529 1HG2 ILE 69 1HG2 ILE 69 -6.118 -4.948 -0.426 530 2HG2 ILE 69 2HG2 ILE 69 -5.343 -4.438 -1.923 531 3HG2 ILE 69 3HG2 ILE 69 -6.585 -5.687 -1.955 532 1HD1 ILE 69 1HD1 ILE 69 -6.329 -1.953 -0.164 533 2HD1 ILE 69 2HD1 ILE 69 -6.683 -0.549 -1.171 534 3HD1 ILE 69 3HD1 ILE 69 -5.118 -1.348 -1.291 535 H LYS 70 H LYS 70 -10.131 -4.748 -0.813 536 HA LYS 70 HA LYS 70 -9.531 -7.516 -0.547 537 1HB LYS 70 1HB LYS 70 -11.245 -7.577 1.123 538 2HB LYS 70 2HB LYS 70 -10.362 -6.068 1.310 539 1HG LYS 70 1HG LYS 70 -12.195 -4.853 0.987 540 2HG LYS 70 2HG LYS 70 -12.626 -5.762 -0.461 541 1HD LYS 70 1HD LYS 70 -14.370 -5.943 1.226 542 2HD LYS 70 2HD LYS 70 -13.619 -7.511 0.928 543 1HE LYS 70 1HE LYS 70 -14.004 -7.062 3.326 544 2HE LYS 70 2HE LYS 70 -12.306 -7.316 2.934 545 1HZ LYS 70 1HZ LYS 70 -13.599 -4.665 3.293 546 2HZ LYS 70 2HZ LYS 70 -11.960 -4.937 2.979 547 3HZ LYS 70 3HZ LYS 70 -12.635 -5.443 4.445 548 H GLN 71 H GLN 71 -11.726 -5.720 -2.484 549 HA GLN 71 HA GLN 71 -13.663 -7.715 -2.897 550 1HB GLN 71 1HB GLN 71 -13.054 -5.081 -3.969 551 2HB GLN 71 2HB GLN 71 -13.766 -6.160 -5.159 552 1HG GLN 71 1HG GLN 71 -15.749 -6.347 -4.006 553 2HG GLN 71 2HG GLN 71 -15.012 -5.916 -2.463 554 1HE2 GLN 71 1HE2 GLN 71 -13.956 -3.618 -2.607 555 2HE2 GLN 71 2HE2 GLN 71 -15.004 -2.393 -3.227 556 H ARG 72 H ARG 72 -10.955 -6.716 -4.928 557 HA ARG 72 HA ARG 72 -11.410 -9.012 -6.651 558 1HB ARG 72 1HB ARG 72 -9.765 -6.532 -6.868 559 2HB ARG 72 2HB ARG 72 -9.388 -7.914 -7.889 560 1HG ARG 72 1HG ARG 72 -11.000 -7.351 -9.290 561 2HG ARG 72 2HG ARG 72 -12.193 -7.454 -7.994 562 1HD ARG 72 1HD ARG 72 -12.058 -5.191 -7.517 563 2HD ARG 72 2HD ARG 72 -10.461 -5.029 -8.246 564 HE ARG 72 HE ARG 72 -11.484 -4.554 -10.221 565 1HH1 ARG 72 1HH1 ARG 72 -13.764 -6.256 -8.199 566 2HH1 ARG 72 2HH1 ARG 72 -15.060 -6.129 -9.339 567 1HH2 ARG 72 1HH2 ARG 72 -13.187 -4.388 -11.722 568 2HH2 ARG 72 2HH2 ARG 72 -14.733 -5.068 -11.339 569 H HIS 73 H HIS 73 -9.004 -7.834 -4.412 570 HA HIS 73 HA HIS 73 -7.330 -10.172 -4.954 571 1HB HIS 73 1HB HIS 73 -6.522 -8.050 -3.019 572 2HB HIS 73 2HB HIS 73 -5.535 -8.970 -4.156 573 HD1 HIS 73 HD1 HIS 73 -6.556 -8.356 -6.819 574 HD2 HIS 73 HD2 HIS 73 -6.567 -5.479 -3.829 575 HE1 HIS 73 HE1 HIS 73 -6.719 -6.148 -8.012 576 HE2 HIS 73 HE2 HIS 73 -6.720 -4.420 -6.179 577 HA PRO 74 HA PRO 74 -8.690 -12.417 -1.413 578 1HB PRO 74 1HB PRO 74 -5.897 -13.343 -1.103 579 2HB PRO 74 2HB PRO 74 -7.370 -14.276 -1.375 580 1HG PRO 74 1HG PRO 74 -5.556 -13.944 -3.313 581 2HG PRO 74 2HG PRO 74 -7.294 -13.983 -3.665 582 1HD PRO 74 1HD PRO 74 -5.447 -11.636 -3.484 583 2HD PRO 74 2HD PRO 74 -6.770 -11.945 -4.627 584 H MET 75 H MET 75 -5.289 -11.639 -0.661 585 HA MET 75 HA MET 75 -6.152 -9.897 1.492 586 1HB MET 75 1HB MET 75 -4.481 -12.359 2.010 587 2HB MET 75 2HB MET 75 -4.843 -11.108 3.191 588 1HG MET 75 1HG MET 75 -7.238 -11.643 2.980 589 2HG MET 75 2HG MET 75 -6.823 -12.948 1.869 590 1HE MET 75 1HE MET 75 -7.644 -15.337 4.576 591 2HE MET 75 2HE MET 75 -8.154 -14.473 3.125 592 3HE MET 75 3HE MET 75 -8.510 -13.806 4.718 593 H LEU 76 H LEU 76 -4.947 -8.925 -0.631 594 HA LEU 76 HA LEU 76 -2.107 -8.945 -0.507 595 1HB LEU 76 1HB LEU 76 -3.259 -8.453 -2.585 596 2HB LEU 76 2HB LEU 76 -4.028 -7.055 -1.858 597 HG LEU 76 HG LEU 76 -1.475 -6.352 -1.477 598 1HD1 LEU 76 1HD1 LEU 76 -0.555 -8.365 -2.472 599 2HD1 LEU 76 2HD1 LEU 76 -0.156 -6.953 -3.449 600 3HD1 LEU 76 3HD1 LEU 76 -1.436 -8.048 -3.967 601 1HD2 LEU 76 1HD2 LEU 76 -1.817 -5.450 -4.018 602 2HD2 LEU 76 2HD2 LEU 76 -2.553 -4.726 -2.587 603 3HD2 LEU 76 3HD2 LEU 76 -3.472 -5.866 -3.571 604 HA PRO 77 HA PRO 77 -1.897 -6.284 3.139 605 1HB PRO 77 1HB PRO 77 0.919 -6.104 2.166 606 2HB PRO 77 2HB PRO 77 0.310 -6.445 3.790 607 1HG PRO 77 1HG PRO 77 1.280 -8.410 2.295 608 2HG PRO 77 2HG PRO 77 -0.170 -8.666 3.284 609 1HD PRO 77 1HD PRO 77 0.059 -8.221 0.335 610 2HD PRO 77 2HD PRO 77 -1.030 -9.299 1.233 611 H VAL 78 H VAL 78 -2.299 -4.163 3.249 612 HA VAL 78 HA VAL 78 -1.332 -2.424 1.083 613 HB VAL 78 HB VAL 78 -3.930 -1.873 2.466 614 1HG1 VAL 78 1HG1 VAL 78 -3.555 -1.257 -0.374 615 2HG1 VAL 78 2HG1 VAL 78 -2.441 -0.431 0.711 616 3HG1 VAL 78 3HG1 VAL 78 -4.181 -0.256 0.934 617 1HG2 VAL 78 1HG2 VAL 78 -3.881 -4.225 1.443 618 2HG2 VAL 78 2HG2 VAL 78 -3.806 -3.404 -0.116 619 3HG2 VAL 78 3HG2 VAL 78 -5.186 -3.146 0.952 620 H ILE 79 H ILE 79 -0.763 -0.322 1.624 621 HA ILE 79 HA ILE 79 -0.725 0.311 4.498 622 HB ILE 79 HB ILE 79 1.477 1.055 2.584 623 1HG1 ILE 79 1HG1 ILE 79 2.123 -0.893 4.672 624 2HG1 ILE 79 2HG1 ILE 79 0.975 -1.511 3.490 625 1HG2 ILE 79 1HG2 ILE 79 1.680 0.951 5.552 626 2HG2 ILE 79 2HG2 ILE 79 0.909 2.334 4.775 627 3HG2 ILE 79 3HG2 ILE 79 2.585 1.934 4.401 628 1HD1 ILE 79 1HD1 ILE 79 2.606 -1.853 2.040 629 2HD1 ILE 79 2HD1 ILE 79 3.762 -1.347 3.273 630 3HD1 ILE 79 3HD1 ILE 79 3.104 -0.166 2.141 631 H ILE 80 H ILE 80 -1.916 2.061 4.864 632 HA ILE 80 HA ILE 80 -2.349 3.977 2.709 633 HB ILE 80 HB ILE 80 -3.683 4.088 5.400 634 1HG1 ILE 80 1HG1 ILE 80 -5.577 2.833 4.137 635 2HG1 ILE 80 2HG1 ILE 80 -4.290 2.297 3.060 636 1HG2 ILE 80 1HG2 ILE 80 -4.410 5.067 2.647 637 2HG2 ILE 80 2HG2 ILE 80 -4.019 6.035 4.066 638 3HG2 ILE 80 3HG2 ILE 80 -5.510 5.100 4.025 639 1HD1 ILE 80 1HD1 ILE 80 -5.090 1.004 5.302 640 2HD1 ILE 80 2HD1 ILE 80 -3.715 1.930 5.902 641 3HD1 ILE 80 3HD1 ILE 80 -3.509 0.825 4.544 642 H MET 81 H MET 81 -1.928 6.161 2.864 643 HA MET 81 HA MET 81 0.264 6.846 4.653 644 1HB MET 81 1HB MET 81 -0.183 9.124 3.210 645 2HB MET 81 2HB MET 81 0.935 7.840 2.791 646 1HG MET 81 1HG MET 81 -1.800 7.403 1.847 647 2HG MET 81 2HG MET 81 -1.009 8.824 1.178 648 1HE MET 81 1HE MET 81 0.621 4.530 0.808 649 2HE MET 81 2HE MET 81 -0.653 5.046 1.904 650 3HE MET 81 3HE MET 81 1.020 5.494 2.229 651 H THR 82 H THR 82 -3.134 7.481 4.448 652 HA THR 82 HA THR 82 -2.946 9.096 6.868 653 HB THR 82 HB THR 82 -4.679 10.116 4.629 654 HG1 THR 82 HG1 THR 82 -2.839 10.503 3.635 655 1HG2 THR 82 1HG2 THR 82 -4.685 10.862 7.165 656 2HG2 THR 82 2HG2 THR 82 -4.942 11.999 5.843 657 3HG2 THR 82 3HG2 THR 82 -3.353 11.871 6.598 658 H ALA 83 H ALA 83 -4.816 8.987 8.178 659 HA ALA 83 HA ALA 83 -6.736 6.925 7.334 660 1HB ALA 83 1HB ALA 83 -6.389 7.925 10.144 661 2HB ALA 83 2HB ALA 83 -5.385 6.645 9.461 662 3HB ALA 83 3HB ALA 83 -7.131 6.421 9.592 663 H HIS 84 H HIS 84 -6.486 10.246 8.351 664 HA HIS 84 HA HIS 84 -8.013 11.899 8.694 665 1HB HIS 84 1HB HIS 84 -8.829 10.487 6.197 666 2HB HIS 84 2HB HIS 84 -9.833 11.805 6.795 667 HD1 HIS 84 HD1 HIS 84 -7.110 13.338 7.845 668 HD2 HIS 84 HD2 HIS 84 -8.072 12.096 3.997 669 HE1 HIS 84 HE1 HIS 84 -5.725 14.766 6.313 670 HE2 HIS 84 HE2 HIS 84 -6.324 14.003 3.988 671 H SER 85 H SER 85 -10.600 9.883 7.415 672 HA SER 85 HA SER 85 -11.670 9.493 10.113 673 1HB SER 85 1HB SER 85 -12.671 11.406 8.176 674 2HB SER 85 2HB SER 85 -13.909 10.222 8.599 675 HG SER 85 HG SER 85 -13.727 10.798 10.726 676 H ASP 86 H ASP 86 -14.081 8.455 9.622 677 HA ASP 86 HA ASP 86 -15.151 6.520 9.099 678 1HB ASP 86 1HB ASP 86 -13.618 6.772 6.503 679 2HB ASP 86 2HB ASP 86 -15.035 5.762 6.771 680 H LEU 87 H LEU 87 -12.654 6.360 10.503 681 HA LEU 87 HA LEU 87 -10.846 4.473 9.697 682 1HB LEU 87 1HB LEU 87 -11.699 5.619 12.203 683 2HB LEU 87 2HB LEU 87 -11.250 3.937 12.413 684 HG LEU 87 HG LEU 87 -9.517 6.153 11.326 685 1HD1 LEU 87 1HD1 LEU 87 -9.698 4.670 13.898 686 2HD1 LEU 87 2HD1 LEU 87 -9.380 6.378 13.597 687 3HD1 LEU 87 3HD1 LEU 87 -8.112 5.184 13.323 688 1HD2 LEU 87 1HD2 LEU 87 -7.806 4.137 11.554 689 2HD2 LEU 87 2HD2 LEU 87 -8.698 4.445 10.064 690 3HD2 LEU 87 3HD2 LEU 87 -9.254 3.200 11.184 691 H ASP 88 H ASP 88 -14.149 3.921 10.490 692 HA ASP 88 HA ASP 88 -14.234 1.359 11.437 693 1HB ASP 88 1HB ASP 88 -16.021 2.782 9.474 694 2HB ASP 88 2HB ASP 88 -16.369 1.141 10.014 695 H ALA 89 H ALA 89 -13.859 2.333 8.035 696 HA ALA 89 HA ALA 89 -13.831 -0.316 7.037 697 1HB ALA 89 1HB ALA 89 -14.396 1.236 5.425 698 2HB ALA 89 2HB ALA 89 -12.721 0.862 5.011 699 3HB ALA 89 3HB ALA 89 -13.106 2.343 5.894 700 H ALA 90 H ALA 90 -11.435 1.637 8.551 701 HA ALA 90 HA ALA 90 -9.131 0.420 7.425 702 1HB ALA 90 1HB ALA 90 -8.068 1.991 8.580 703 2HB ALA 90 2HB ALA 90 -8.627 1.306 10.107 704 3HB ALA 90 3HB ALA 90 -9.621 2.490 9.259 705 H VAL 91 H VAL 91 -11.234 -0.407 10.115 706 HA VAL 91 HA VAL 91 -9.484 -2.363 11.218 707 HB VAL 91 HB VAL 91 -12.473 -2.366 11.561 708 1HG1 VAL 91 1HG1 VAL 91 -10.197 -3.769 12.731 709 2HG1 VAL 91 2HG1 VAL 91 -11.918 -4.170 12.765 710 3HG1 VAL 91 3HG1 VAL 91 -11.256 -3.032 13.938 711 1HG2 VAL 91 1HG2 VAL 91 -10.510 -0.842 13.267 712 2HG2 VAL 91 2HG2 VAL 91 -12.270 -0.823 13.364 713 3HG2 VAL 91 3HG2 VAL 91 -11.457 -0.093 11.982 714 H SER 92 H SER 92 -12.116 -2.440 8.886 715 HA SER 92 HA SER 92 -12.174 -5.269 8.633 716 1HB SER 92 1HB SER 92 -13.557 -4.899 6.673 717 2HB SER 92 2HB SER 92 -14.060 -3.786 7.947 718 HG SER 92 HG SER 92 -13.595 -2.207 6.660 719 H ALA 93 H ALA 93 -10.106 -2.799 7.488 720 HA ALA 93 HA ALA 93 -9.125 -4.026 5.148 721 1HB ALA 93 1HB ALA 93 -8.290 -1.970 5.006 722 2HB ALA 93 2HB ALA 93 -7.063 -2.470 6.167 723 3HB ALA 93 3HB ALA 93 -8.539 -1.690 6.728 724 H TYR 94 H TYR 94 -8.111 -4.084 8.508 725 HA TYR 94 HA TYR 94 -5.797 -5.668 8.119 726 1HB TYR 94 1HB TYR 94 -7.458 -5.782 10.629 727 2HB TYR 94 2HB TYR 94 -5.713 -5.920 10.465 728 HD1 TYR 94 HD1 TYR 94 -4.802 -3.618 9.114 729 HD2 TYR 94 HD2 TYR 94 -8.068 -3.925 11.831 730 HE1 TYR 94 HE1 TYR 94 -4.564 -1.235 9.673 731 HE2 TYR 94 HE2 TYR 94 -7.828 -1.543 12.391 732 HH TYR 94 HH TYR 94 -6.548 0.614 10.755 733 H GLN 95 H GLN 95 -9.161 -6.306 8.269 734 HA GLN 95 HA GLN 95 -8.972 -9.124 8.771 735 1HB GLN 95 1HB GLN 95 -10.992 -8.224 9.488 736 2HB GLN 95 2HB GLN 95 -11.167 -7.213 8.064 737 1HG GLN 95 1HG GLN 95 -11.329 -10.188 7.833 738 2HG GLN 95 2HG GLN 95 -12.717 -9.253 8.388 739 1HE2 GLN 95 1HE2 GLN 95 -12.695 -7.053 6.866 740 2HE2 GLN 95 2HE2 GLN 95 -12.861 -7.452 5.194 741 H GLN 96 H GLN 96 -9.318 -7.062 5.921 742 HA GLN 96 HA GLN 96 -9.642 -9.273 4.140 743 1HB GLN 96 1HB GLN 96 -9.564 -7.650 2.354 744 2HB GLN 96 2HB GLN 96 -10.591 -7.046 3.646 745 1HG GLN 96 1HG GLN 96 -9.438 -5.161 3.452 746 2HG GLN 96 2HG GLN 96 -8.160 -6.012 4.309 747 1HE2 GLN 96 1HE2 GLN 96 -7.748 -3.876 2.546 748 2HE2 GLN 96 2HE2 GLN 96 -6.845 -4.458 1.195 749 H GLY 97 H GLY 97 -6.952 -7.726 5.598 750 1HA GLY 97 1HA GLY 97 -4.925 -9.229 5.299 751 2HA GLY 97 2HA GLY 97 -5.156 -8.928 3.585 752 H ALA 98 H ALA 98 -5.992 -6.064 4.725 753 HA ALA 98 HA ALA 98 -3.802 -4.655 3.881 754 1HB ALA 98 1HB ALA 98 -4.703 -2.744 4.966 755 2HB ALA 98 2HB ALA 98 -5.562 -3.741 6.139 756 3HB ALA 98 3HB ALA 98 -6.064 -3.738 4.449 757 H PHE 99 H PHE 99 -2.115 -3.466 5.028 758 HA PHE 99 HA PHE 99 -0.965 -5.074 7.124 759 1HB PHE 99 1HB PHE 99 0.462 -4.300 5.276 760 2HB PHE 99 2HB PHE 99 0.160 -2.630 5.750 761 HD1 PHE 99 HD1 PHE 99 0.911 -5.637 7.804 762 HD2 PHE 99 HD2 PHE 99 2.180 -1.778 6.517 763 HE1 PHE 99 HE1 PHE 99 2.804 -5.744 9.370 764 HE2 PHE 99 HE2 PHE 99 4.080 -1.887 8.084 765 HZ PHE 99 HZ PHE 99 4.392 -3.868 9.510 766 H ASP 100 H ASP 100 -1.736 -1.612 6.706 767 HA ASP 100 HA ASP 100 -2.983 -1.170 9.100 768 1HB ASP 100 1HB ASP 100 -0.185 -1.658 9.525 769 2HB ASP 100 2HB ASP 100 -0.549 0.009 9.958 770 H TYR 101 H TYR 101 -2.032 1.268 9.970 771 HA TYR 101 HA TYR 101 -2.196 2.906 7.530 772 1HB TYR 101 1HB TYR 101 -3.826 2.934 9.981 773 2HB TYR 101 2HB TYR 101 -3.279 4.521 9.446 774 HD1 TYR 101 HD1 TYR 101 -5.126 1.483 8.350 775 HD2 TYR 101 HD2 TYR 101 -4.285 5.599 7.625 776 HE1 TYR 101 HE1 TYR 101 -6.909 1.556 6.652 777 HE2 TYR 101 HE2 TYR 101 -6.069 5.670 5.935 778 HH TYR 101 HH TYR 101 -8.359 3.184 5.581 779 H LEU 102 H LEU 102 -0.789 4.500 7.289 780 HA LEU 102 HA LEU 102 1.015 5.140 9.530 781 1HB LEU 102 1HB LEU 102 2.307 3.912 7.997 782 2HB LEU 102 2HB LEU 102 1.541 4.660 6.613 783 HG LEU 102 HG LEU 102 2.737 6.833 7.562 784 1HD1 LEU 102 1HD1 LEU 102 4.950 5.025 8.213 785 2HD1 LEU 102 2HD1 LEU 102 3.643 5.031 9.397 786 3HD1 LEU 102 3HD1 LEU 102 4.456 6.538 8.974 787 1HD2 LEU 102 1HD2 LEU 102 4.791 6.004 6.185 788 2HD2 LEU 102 2HD2 LEU 102 3.234 6.252 5.394 789 3HD2 LEU 102 3HD2 LEU 102 3.750 4.624 5.833 790 HA PRO 103 HA PRO 103 -0.368 9.342 9.148 791 1HB PRO 103 1HB PRO 103 2.019 10.617 9.741 792 2HB PRO 103 2HB PRO 103 0.883 9.998 10.941 793 1HG PRO 103 1HG PRO 103 3.372 8.734 9.860 794 2HG PRO 103 2HG PRO 103 2.777 8.788 11.531 795 1HD PRO 103 1HD PRO 103 2.487 6.587 10.058 796 2HD PRO 103 2HD PRO 103 1.189 7.122 11.145 797 H LYS 104 H LYS 104 0.161 11.380 7.936 798 HA LYS 104 HA LYS 104 0.440 11.006 5.263 799 1HB LYS 104 1HB LYS 104 0.149 13.217 6.852 800 2HB LYS 104 2HB LYS 104 1.712 13.509 6.100 801 1HG LYS 104 1HG LYS 104 -0.900 13.000 4.693 802 2HG LYS 104 2HG LYS 104 -0.012 14.522 4.769 803 1HD LYS 104 1HD LYS 104 0.782 13.846 2.763 804 2HD LYS 104 2HD LYS 104 1.898 12.908 3.756 805 1HE LYS 104 1HE LYS 104 0.918 10.935 3.231 806 2HE LYS 104 2HE LYS 104 -0.700 11.632 3.180 807 1HZ LYS 104 1HZ LYS 104 1.163 12.407 1.066 808 2HZ LYS 104 2HZ LYS 104 -0.506 12.160 0.998 809 3HZ LYS 104 3HZ LYS 104 0.543 10.828 1.003 810 HA PRO 105 HA PRO 105 5.294 11.980 5.583 811 1HB PRO 105 1HB PRO 105 6.195 10.687 7.922 812 2HB PRO 105 2HB PRO 105 6.148 12.432 7.641 813 1HG PRO 105 1HG PRO 105 4.202 10.702 9.092 814 2HG PRO 105 2HG PRO 105 4.695 12.372 9.430 815 1HD PRO 105 1HD PRO 105 2.329 11.844 8.315 816 2HD PRO 105 2HD PRO 105 3.282 13.248 7.794 817 H PHE 106 H PHE 106 6.934 10.290 5.197 818 HA PHE 106 HA PHE 106 6.652 7.621 5.662 819 1HB PHE 106 1HB PHE 106 5.864 7.000 3.211 820 2HB PHE 106 2HB PHE 106 4.733 7.178 4.536 821 HD1 PHE 106 HD1 PHE 106 2.887 7.535 3.064 822 HD2 PHE 106 HD2 PHE 106 6.276 10.112 2.989 823 HE1 PHE 106 HE1 PHE 106 1.633 9.170 1.692 824 HE2 PHE 106 HE2 PHE 106 5.026 11.741 1.638 825 HZ PHE 106 HZ PHE 106 2.702 11.267 0.987 826 H ASP 107 H ASP 107 7.028 8.754 2.329 827 HA ASP 107 HA ASP 107 8.798 8.604 0.928 828 1HB ASP 107 1HB ASP 107 10.772 9.827 1.572 829 2HB ASP 107 2HB ASP 107 9.371 10.665 2.228 830 H ILE 108 H ILE 108 11.314 7.809 0.986 831 HA ILE 108 HA ILE 108 11.111 5.088 1.325 832 HB ILE 108 HB ILE 108 13.377 6.918 0.881 833 1HG1 ILE 108 1HG1 ILE 108 13.451 5.880 -1.241 834 2HG1 ILE 108 2HG1 ILE 108 12.513 4.502 -0.670 835 1HG2 ILE 108 1HG2 ILE 108 13.835 3.962 1.173 836 2HG2 ILE 108 2HG2 ILE 108 14.235 5.133 2.429 837 3HG2 ILE 108 3HG2 ILE 108 15.032 5.215 0.861 838 1HD1 ILE 108 1HD1 ILE 108 11.480 7.311 -0.980 839 2HD1 ILE 108 2HD1 ILE 108 10.552 5.918 -0.442 840 3HD1 ILE 108 3HD1 ILE 108 11.178 5.974 -2.082 841 H ASP 109 H ASP 109 12.652 7.376 3.479 842 HA ASP 109 HA ASP 109 13.653 5.559 5.304 843 1HB ASP 109 1HB ASP 109 13.883 8.154 5.203 844 2HB ASP 109 2HB ASP 109 12.467 8.150 6.250 845 H GLU 110 H GLU 110 10.505 7.274 5.625 846 HA GLU 110 HA GLU 110 9.726 5.517 7.732 847 1HB GLU 110 1HB GLU 110 8.012 7.537 6.330 848 2HB GLU 110 2HB GLU 110 7.717 6.825 7.897 849 1HG GLU 110 1HG GLU 110 10.181 8.429 7.428 850 2HG GLU 110 2HG GLU 110 8.626 9.242 7.670 851 H ALA 111 H ALA 111 9.177 5.609 4.284 852 HA ALA 111 HA ALA 111 6.887 3.872 4.489 853 1HB ALA 111 1HB ALA 111 6.942 3.836 2.009 854 2HB ALA 111 2HB ALA 111 8.377 4.853 2.063 855 3HB ALA 111 3HB ALA 111 6.840 5.463 2.692 856 H VAL 112 H VAL 112 10.224 3.566 3.243 857 HA VAL 112 HA VAL 112 10.057 0.814 2.700 858 HB VAL 112 HB VAL 112 12.532 2.328 3.538 859 1HG1 VAL 112 1HG1 VAL 112 12.879 0.187 1.623 860 2HG1 VAL 112 2HG1 VAL 112 12.130 -0.397 3.110 861 3HG1 VAL 112 3HG1 VAL 112 13.677 0.450 3.174 862 1HG2 VAL 112 1HG2 VAL 112 12.142 3.506 1.676 863 2HG2 VAL 112 2HG2 VAL 112 10.948 2.361 1.073 864 3HG2 VAL 112 3HG2 VAL 112 12.668 2.056 0.826 865 H ALA 113 H ALA 113 10.674 2.620 5.595 866 HA ALA 113 HA ALA 113 11.705 0.616 7.253 867 1HB ALA 113 1HB ALA 113 9.868 2.380 8.629 868 2HB ALA 113 2HB ALA 113 10.916 3.266 7.528 869 3HB ALA 113 3HB ALA 113 11.620 2.246 8.784 870 H LEU 114 H LEU 114 8.398 1.709 6.746 871 HA LEU 114 HA LEU 114 7.237 -0.321 8.359 872 1HB LEU 114 1HB LEU 114 6.216 1.844 8.203 873 2HB LEU 114 2HB LEU 114 6.081 1.702 6.463 874 HG LEU 114 HG LEU 114 4.580 -0.381 7.081 875 1HD1 LEU 114 1HD1 LEU 114 3.190 0.424 9.123 876 2HD1 LEU 114 2HD1 LEU 114 4.678 1.257 9.579 877 3HD1 LEU 114 3HD1 LEU 114 4.671 -0.497 9.389 878 1HD2 LEU 114 1HD2 LEU 114 2.631 1.216 7.138 879 2HD2 LEU 114 2HD2 LEU 114 3.748 1.397 5.784 880 3HD2 LEU 114 3HD2 LEU 114 3.816 2.521 7.140 881 H VAL 115 H VAL 115 8.138 -0.150 5.026 882 HA VAL 115 HA VAL 115 6.247 -2.129 4.170 883 HB VAL 115 HB VAL 115 7.336 -0.355 2.668 884 1HG1 VAL 115 1HG1 VAL 115 9.680 -1.072 3.324 885 2HG1 VAL 115 2HG1 VAL 115 9.379 -0.834 1.608 886 3HG1 VAL 115 3HG1 VAL 115 9.439 -2.465 2.275 887 1HG2 VAL 115 1HG2 VAL 115 7.576 -2.506 0.915 888 2HG2 VAL 115 2HG2 VAL 115 6.126 -1.559 1.244 889 3HG2 VAL 115 3HG2 VAL 115 6.432 -3.045 2.144 890 H GLU 116 H GLU 116 9.742 -2.174 4.832 891 HA GLU 116 HA GLU 116 10.125 -4.893 4.225 892 1HB GLU 116 1HB GLU 116 11.642 -3.013 6.034 893 2HB GLU 116 2HB GLU 116 12.170 -4.657 5.698 894 1HG GLU 116 1HG GLU 116 12.231 -4.098 3.287 895 2HG GLU 116 2HG GLU 116 11.827 -2.433 3.700 896 H ARG 117 H ARG 117 9.310 -3.241 7.246 897 HA ARG 117 HA ARG 117 9.386 -5.545 8.879 898 1HB ARG 117 1HB ARG 117 7.806 -2.999 9.277 899 2HB ARG 117 2HB ARG 117 8.156 -4.197 10.516 900 1HG ARG 117 1HG ARG 117 10.459 -3.671 10.510 901 2HG ARG 117 2HG ARG 117 10.307 -2.714 9.036 902 1HD ARG 117 1HD ARG 117 9.136 -0.997 10.152 903 2HD ARG 117 2HD ARG 117 8.851 -2.008 11.568 904 HE ARG 117 HE ARG 117 11.560 -1.837 11.417 905 1HH1 ARG 117 1HH1 ARG 117 8.983 0.512 11.522 906 2HH1 ARG 117 2HH1 ARG 117 9.941 1.712 12.324 907 1HH2 ARG 117 1HH2 ARG 117 12.822 -0.262 12.470 908 2HH2 ARG 117 2HH2 ARG 117 12.121 1.272 12.862 909 H ALA 118 H ALA 118 7.066 -4.293 6.668 910 HA ALA 118 HA ALA 118 4.790 -5.651 7.701 911 1HB ALA 118 1HB ALA 118 5.098 -4.761 4.853 912 2HB ALA 118 2HB ALA 118 4.822 -3.612 6.162 913 3HB ALA 118 3HB ALA 118 3.630 -4.866 5.824 914 H ILE 119 H ILE 119 6.867 -6.225 4.868 915 HA ILE 119 HA ILE 119 5.708 -8.659 4.109 916 HB ILE 119 HB ILE 119 8.586 -7.872 3.685 917 1HG1 ILE 119 1HG1 ILE 119 6.583 -7.353 1.568 918 2HG1 ILE 119 2HG1 ILE 119 6.503 -6.295 2.973 919 1HG2 ILE 119 1HG2 ILE 119 6.727 -9.747 2.244 920 2HG2 ILE 119 2HG2 ILE 119 8.241 -10.134 3.062 921 3HG2 ILE 119 3HG2 ILE 119 8.260 -9.189 1.572 922 1HD1 ILE 119 1HD1 ILE 119 8.696 -5.519 2.632 923 2HD1 ILE 119 2HD1 ILE 119 7.915 -5.501 1.050 924 3HD1 ILE 119 3HD1 ILE 119 9.044 -6.795 1.464 925 H SER 120 H SER 120 8.134 -7.876 6.460 926 HA SER 120 HA SER 120 9.111 -10.507 6.869 927 1HB SER 120 1HB SER 120 10.560 -8.816 7.607 928 2HB SER 120 2HB SER 120 9.272 -7.948 8.442 929 HG SER 120 HG SER 120 10.097 -10.535 9.231 930 H HIS 121 H HIS 121 6.608 -8.559 8.428 931 HA HIS 121 HA HIS 121 6.028 -10.336 10.526 932 1HB HIS 121 1HB HIS 121 4.590 -8.073 9.222 933 2HB HIS 121 2HB HIS 121 3.685 -9.128 10.301 934 HD1 HIS 121 HD1 HIS 121 7.258 -8.320 11.041 935 HD2 HIS 121 HD2 HIS 121 3.464 -7.127 12.245 936 HE1 HIS 121 HE1 HIS 121 7.614 -6.924 13.104 937 HE2 HIS 121 HE2 HIS 121 5.312 -6.148 13.768 938 H TYR 122 H TYR 122 4.705 -10.019 7.299 939 HA TYR 122 HA TYR 122 2.789 -12.108 7.636 940 1HB TYR 122 1HB TYR 122 3.650 -10.329 5.423 941 2HB TYR 122 2HB TYR 122 2.901 -11.855 4.968 942 HD1 TYR 122 HD1 TYR 122 2.163 -8.580 5.268 943 HD2 TYR 122 HD2 TYR 122 0.776 -12.314 6.763 944 HE1 TYR 122 HE1 TYR 122 -0.058 -7.596 5.650 945 HE2 TYR 122 HE2 TYR 122 -1.449 -11.341 7.149 946 HH TYR 122 HH TYR 122 -2.649 -9.434 7.206 947 H GLN 123 H GLN 123 5.804 -11.815 5.763 948 HA GLN 123 HA GLN 123 7.274 -13.366 4.987 949 1HB GLN 123 1HB GLN 123 7.029 -13.936 7.556 950 2HB GLN 123 2HB GLN 123 6.267 -15.396 6.937 951 1HG GLN 123 1HG GLN 123 8.204 -16.247 6.174 952 2HG GLN 123 2HG GLN 123 8.836 -14.673 5.697 953 1HE2 GLN 123 1HE2 GLN 123 7.845 -16.254 8.723 954 2HE2 GLN 123 2HE2 GLN 123 9.261 -15.817 9.611 955 H GLU 124 H GLU 124 7.383 -15.829 4.287 956 HA GLU 124 HA GLU 124 6.646 -17.411 2.830 957 1HB GLU 124 1HB GLU 124 4.789 -17.342 4.835 958 2HB GLU 124 2HB GLU 124 3.784 -17.069 3.419 959 1HG GLU 124 1HG GLU 124 5.636 -19.206 2.926 960 2HG GLU 124 2HG GLU 124 4.726 -19.506 4.407 Start of MODEL 18 1 1H MET 1 1H MET 1 13.342 -18.048 -4.773 2 2H MET 1 2H MET 1 13.838 -18.738 -3.282 3 3H MET 1 3H MET 1 14.674 -17.384 -3.924 4 HA MET 1 HA MET 1 12.123 -17.550 -2.553 5 1HB MET 1 1HB MET 1 14.293 -16.753 -1.555 6 2HB MET 1 2HB MET 1 14.256 -15.409 -2.688 7 1HG MET 1 1HG MET 1 12.543 -14.359 -1.607 8 2HG MET 1 2HG MET 1 11.887 -15.860 -0.955 9 1HE MET 1 1HE MET 1 12.726 -17.015 1.276 10 2HE MET 1 2HE MET 1 11.602 -15.666 1.452 11 3HE MET 1 3HE MET 1 12.979 -15.817 2.545 12 H GLN 2 H GLN 2 10.788 -15.533 -2.623 13 HA GLN 2 HA GLN 2 9.937 -15.044 -5.283 14 1HB GLN 2 1HB GLN 2 9.179 -13.955 -2.597 15 2HB GLN 2 2HB GLN 2 8.564 -13.190 -4.055 16 1HG GLN 2 1HG GLN 2 7.082 -14.810 -4.413 17 2HG GLN 2 2HG GLN 2 8.258 -16.081 -4.080 18 1HE2 GLN 2 1HE2 GLN 2 8.861 -16.196 -1.670 19 2HE2 GLN 2 2HE2 GLN 2 7.529 -16.161 -0.569 20 H ARG 3 H ARG 3 10.118 -13.242 -6.563 21 HA ARG 3 HA ARG 3 12.511 -11.793 -6.441 22 1HB ARG 3 1HB ARG 3 11.503 -10.407 -8.265 23 2HB ARG 3 2HB ARG 3 11.455 -12.139 -8.563 24 1HG ARG 3 1HG ARG 3 9.080 -10.997 -7.248 25 2HG ARG 3 2HG ARG 3 9.362 -10.494 -8.915 26 1HD ARG 3 1HD ARG 3 8.891 -12.538 -9.747 27 2HD ARG 3 2HD ARG 3 9.674 -13.375 -8.408 28 HE ARG 3 HE ARG 3 7.168 -12.099 -7.766 29 1HH1 ARG 3 1HH1 ARG 3 8.731 -15.044 -8.783 30 2HH1 ARG 3 2HH1 ARG 3 7.425 -16.055 -8.264 31 1HH2 ARG 3 1HH2 ARG 3 5.457 -13.415 -7.091 32 2HH2 ARG 3 2HH2 ARG 3 5.564 -15.130 -7.303 33 H GLY 4 H GLY 4 9.486 -11.256 -4.924 34 1HA GLY 4 1HA GLY 4 8.877 -9.677 -3.364 35 2HA GLY 4 2HA GLY 4 10.511 -9.036 -3.458 36 H ILE 5 H ILE 5 7.256 -8.791 -4.639 37 HA ILE 5 HA ILE 5 8.009 -6.431 -6.233 38 HB ILE 5 HB ILE 5 5.350 -7.843 -6.313 39 1HG1 ILE 5 1HG1 ILE 5 6.463 -8.599 -8.622 40 2HG1 ILE 5 2HG1 ILE 5 7.921 -8.507 -7.633 41 1HG2 ILE 5 1HG2 ILE 5 6.002 -6.627 -8.765 42 2HG2 ILE 5 2HG2 ILE 5 6.381 -5.458 -7.499 43 3HG2 ILE 5 3HG2 ILE 5 4.761 -6.148 -7.608 44 1HD1 ILE 5 1HD1 ILE 5 7.406 -10.362 -6.522 45 2HD1 ILE 5 2HD1 ILE 5 6.249 -10.651 -7.820 46 3HD1 ILE 5 3HD1 ILE 5 5.720 -9.885 -6.324 47 H VAL 6 H VAL 6 7.732 -4.568 -5.225 48 HA VAL 6 HA VAL 6 5.579 -4.357 -3.230 49 HB VAL 6 HB VAL 6 7.683 -3.788 -2.211 50 1HG1 VAL 6 1HG1 VAL 6 8.629 -3.180 -4.598 51 2HG1 VAL 6 2HG1 VAL 6 9.332 -2.511 -3.135 52 3HG1 VAL 6 3HG1 VAL 6 8.208 -1.549 -4.089 53 1HG2 VAL 6 1HG2 VAL 6 6.302 -1.199 -2.889 54 2HG2 VAL 6 2HG2 VAL 6 7.191 -1.591 -1.417 55 3HG2 VAL 6 3HG2 VAL 6 5.652 -2.388 -1.761 56 H TRP 7 H TRP 7 3.870 -3.134 -3.697 57 HA TRP 7 HA TRP 7 4.102 -1.277 -5.969 58 1HB TRP 7 1HB TRP 7 1.847 -3.064 -5.091 59 2HB TRP 7 2HB TRP 7 1.534 -1.633 -6.075 60 HD1 TRP 7 HD1 TRP 7 4.793 -3.162 -6.971 61 HE1 TRP 7 HE1 TRP 7 4.607 -4.434 -9.186 62 HE3 TRP 7 HE3 TRP 7 -0.305 -3.326 -7.391 63 HZ2 TRP 7 HZ2 TRP 7 2.583 -5.402 -10.882 64 HZ3 TRP 7 HZ3 TRP 7 -1.282 -4.454 -9.349 65 HH2 TRP 7 HH2 TRP 7 0.134 -5.473 -11.057 66 H VAL 8 H VAL 8 3.120 0.753 -5.827 67 HA VAL 8 HA VAL 8 2.109 1.536 -3.174 68 HB VAL 8 HB VAL 8 3.799 3.525 -4.568 69 1HG1 VAL 8 1HG1 VAL 8 4.144 4.385 -2.467 70 2HG1 VAL 8 2HG1 VAL 8 3.966 2.825 -1.671 71 3HG1 VAL 8 3HG1 VAL 8 2.545 3.667 -2.286 72 1HG2 VAL 8 1HG2 VAL 8 4.859 0.951 -4.125 73 2HG2 VAL 8 2HG2 VAL 8 5.532 2.005 -2.897 74 3HG2 VAL 8 3HG2 VAL 8 5.710 2.416 -4.602 75 H VAL 9 H VAL 9 0.639 3.215 -3.156 76 HA VAL 9 HA VAL 9 -0.068 4.353 -5.761 77 HB VAL 9 HB VAL 9 -2.431 4.154 -4.113 78 1HG1 VAL 9 1HG1 VAL 9 -2.473 4.620 -6.473 79 2HG1 VAL 9 2HG1 VAL 9 -3.282 3.077 -6.199 80 3HG1 VAL 9 3HG1 VAL 9 -1.643 3.108 -6.816 81 1HG2 VAL 9 1HG2 VAL 9 -1.905 2.131 -3.162 82 2HG2 VAL 9 2HG2 VAL 9 -0.847 1.654 -4.484 83 3HG2 VAL 9 3HG2 VAL 9 -2.596 1.583 -4.683 84 H ASP 10 H ASP 10 0.336 6.427 -5.666 85 HA ASP 10 HA ASP 10 -0.849 8.134 -3.714 86 1HB ASP 10 1HB ASP 10 1.233 7.140 -2.567 87 2HB ASP 10 2HB ASP 10 2.158 8.150 -3.671 88 H ASP 11 H ASP 11 1.109 10.259 -4.094 89 HA ASP 11 HA ASP 11 0.091 11.333 -6.487 90 1HB ASP 11 1HB ASP 11 1.514 12.289 -4.247 91 2HB ASP 11 2HB ASP 11 2.472 12.715 -5.662 92 H ASP 12 H ASP 12 2.120 8.859 -6.400 93 HA ASP 12 HA ASP 12 3.811 8.028 -7.673 94 1HB ASP 12 1HB ASP 12 3.431 8.309 -10.093 95 2HB ASP 12 2HB ASP 12 1.936 7.982 -9.226 96 H SER 13 H SER 13 4.729 9.534 -10.186 97 HA SER 13 HA SER 13 6.744 10.507 -10.629 98 1HB SER 13 1HB SER 13 4.783 12.173 -10.676 99 2HB SER 13 2HB SER 13 5.557 12.886 -9.263 100 HG SER 13 HG SER 13 6.824 12.437 -11.765 101 H SER 14 H SER 14 6.355 12.585 -7.848 102 HA SER 14 HA SER 14 9.009 12.323 -7.046 103 1HB SER 14 1HB SER 14 6.544 13.344 -5.661 104 2HB SER 14 2HB SER 14 8.091 13.275 -4.818 105 HG SER 14 HG SER 14 7.851 14.504 -7.347 106 H ILE 15 H ILE 15 6.092 10.874 -5.600 107 HA ILE 15 HA ILE 15 7.438 9.395 -3.631 108 HB ILE 15 HB ILE 15 4.843 8.555 -4.904 109 1HG1 ILE 15 1HG1 ILE 15 4.729 10.960 -4.343 110 2HG1 ILE 15 2HG1 ILE 15 3.681 9.995 -3.312 111 1HG2 ILE 15 1HG2 ILE 15 5.952 8.222 -2.121 112 2HG2 ILE 15 2HG2 ILE 15 5.810 6.966 -3.351 113 3HG2 ILE 15 3HG2 ILE 15 4.358 7.692 -2.660 114 1HD1 ILE 15 1HD1 ILE 15 6.406 11.002 -2.536 115 2HD1 ILE 15 2HD1 ILE 15 5.271 10.133 -1.504 116 3HD1 ILE 15 3HD1 ILE 15 4.875 11.751 -2.086 117 H ARG 16 H ARG 16 6.825 8.784 -6.984 118 HA ARG 16 HA ARG 16 7.352 5.988 -6.922 119 1HB ARG 16 1HB ARG 16 6.037 7.061 -8.712 120 2HB ARG 16 2HB ARG 16 7.477 7.910 -9.248 121 1HG ARG 16 1HG ARG 16 8.124 5.163 -9.161 122 2HG ARG 16 2HG ARG 16 6.560 5.310 -9.961 123 1HD ARG 16 1HD ARG 16 7.555 7.057 -11.435 124 2HD ARG 16 2HD ARG 16 9.123 6.711 -10.707 125 HE ARG 16 HE ARG 16 9.246 4.788 -11.955 126 1HH1 ARG 16 1HH1 ARG 16 5.980 6.006 -12.051 127 2HH1 ARG 16 2HH1 ARG 16 5.474 4.915 -13.296 128 1HH2 ARG 16 1HH2 ARG 16 8.585 3.347 -13.595 129 2HH2 ARG 16 2HH2 ARG 16 6.953 3.404 -14.172 130 H TRP 17 H TRP 17 9.277 8.694 -8.205 131 HA TRP 17 HA TRP 17 11.531 7.303 -8.891 132 1HB TRP 17 1HB TRP 17 11.126 9.717 -9.338 133 2HB TRP 17 2HB TRP 17 11.541 10.057 -7.658 134 HD1 TRP 17 HD1 TRP 17 13.133 8.863 -10.944 135 HE1 TRP 17 HE1 TRP 17 15.680 9.203 -10.781 136 HE3 TRP 17 HE3 TRP 17 13.447 10.259 -6.042 137 HZ2 TRP 17 HZ2 TRP 17 17.572 9.968 -8.825 138 HZ3 TRP 17 HZ3 TRP 17 15.659 10.774 -5.097 139 HH2 TRP 17 HH2 TRP 17 17.679 10.630 -6.461 140 H VAL 18 H VAL 18 10.691 8.513 -5.671 141 HA VAL 18 HA VAL 18 13.183 7.823 -4.530 142 HB VAL 18 HB VAL 18 10.749 8.025 -2.826 143 1HG1 VAL 18 1HG1 VAL 18 12.204 8.779 -1.201 144 2HG1 VAL 18 2HG1 VAL 18 13.370 9.387 -2.376 145 3HG1 VAL 18 3HG1 VAL 18 13.226 7.652 -2.094 146 1HG2 VAL 18 1HG2 VAL 18 10.176 10.012 -3.655 147 2HG2 VAL 18 2HG2 VAL 18 11.569 10.029 -4.739 148 3HG2 VAL 18 3HG2 VAL 18 11.727 10.629 -3.090 149 H LEU 19 H LEU 19 10.006 6.291 -4.157 150 HA LEU 19 HA LEU 19 11.076 4.071 -2.752 151 1HB LEU 19 1HB LEU 19 8.571 5.056 -2.982 152 2HB LEU 19 2HB LEU 19 8.470 3.690 -4.075 153 HG LEU 19 HG LEU 19 9.136 2.169 -2.284 154 1HD1 LEU 19 1HD1 LEU 19 8.922 3.487 0.071 155 2HD1 LEU 19 2HD1 LEU 19 9.742 4.682 -0.925 156 3HD1 LEU 19 3HD1 LEU 19 10.448 3.082 -0.713 157 1HD2 LEU 19 1HD2 LEU 19 7.136 3.124 -0.648 158 2HD2 LEU 19 2HD2 LEU 19 6.927 2.067 -2.040 159 3HD2 LEU 19 3HD2 LEU 19 6.737 3.811 -2.222 160 H GLU 20 H GLU 20 10.725 4.724 -6.124 161 HA GLU 20 HA GLU 20 10.655 2.033 -6.983 162 1HB GLU 20 1HB GLU 20 11.071 2.808 -9.181 163 2HB GLU 20 2HB GLU 20 9.999 3.957 -8.411 164 1HG GLU 20 1HG GLU 20 11.855 5.484 -8.092 165 2HG GLU 20 2HG GLU 20 12.952 4.314 -8.817 166 H ARG 21 H ARG 21 13.362 4.336 -7.062 167 HA ARG 21 HA ARG 21 15.269 2.299 -7.615 168 1HB ARG 21 1HB ARG 21 15.627 5.152 -6.702 169 2HB ARG 21 2HB ARG 21 16.949 4.098 -7.184 170 1HG ARG 21 1HG ARG 21 14.834 4.216 -9.170 171 2HG ARG 21 2HG ARG 21 15.536 5.796 -8.823 172 1HD ARG 21 1HD ARG 21 16.964 3.305 -9.733 173 2HD ARG 21 2HD ARG 21 16.768 4.815 -10.621 174 HE ARG 21 HE ARG 21 18.090 5.597 -8.408 175 1HH1 ARG 21 1HH1 ARG 21 18.668 3.045 -10.719 176 2HH1 ARG 21 2HH1 ARG 21 20.388 3.092 -10.525 177 1HH2 ARG 21 1HH2 ARG 21 20.347 5.660 -8.153 178 2HH2 ARG 21 2HH2 ARG 21 21.343 4.577 -9.068 179 H ALA 22 H ALA 22 14.668 4.266 -4.697 180 HA ALA 22 HA ALA 22 16.580 3.177 -3.053 181 1HB ALA 22 1HB ALA 22 14.885 5.080 -2.611 182 2HB ALA 22 2HB ALA 22 15.465 4.115 -1.254 183 3HB ALA 22 3HB ALA 22 13.877 3.792 -1.949 184 H LEU 23 H LEU 23 13.209 2.125 -3.158 185 HA LEU 23 HA LEU 23 13.629 -0.141 -1.561 186 1HB LEU 23 1HB LEU 23 11.407 0.998 -2.202 187 2HB LEU 23 2HB LEU 23 11.471 0.006 -3.645 188 HG LEU 23 HG LEU 23 11.119 -1.967 -2.471 189 1HD1 LEU 23 1HD1 LEU 23 11.151 -1.770 0.184 190 2HD1 LEU 23 2HD1 LEU 23 12.344 -0.529 -0.190 191 3HD1 LEU 23 3HD1 LEU 23 12.588 -2.182 -0.750 192 1HD2 LEU 23 1HD2 LEU 23 9.089 -1.686 -1.468 193 2HD2 LEU 23 2HD2 LEU 23 9.244 -0.151 -2.327 194 3HD2 LEU 23 3HD2 LEU 23 9.594 -0.235 -0.600 195 H ALA 24 H ALA 24 14.294 0.468 -4.878 196 HA ALA 24 HA ALA 24 14.327 -2.220 -5.788 197 1HB ALA 24 1HB ALA 24 16.259 -0.642 -7.187 198 2HB ALA 24 2HB ALA 24 14.814 0.325 -6.916 199 3HB ALA 24 3HB ALA 24 14.693 -1.224 -7.748 200 H GLY 25 H GLY 25 16.640 -0.067 -4.250 201 1HA GLY 25 1HA GLY 25 18.930 -1.703 -4.522 202 2HA GLY 25 2HA GLY 25 18.696 -0.455 -3.304 203 H ALA 26 H ALA 26 16.180 -1.860 -2.422 204 HA ALA 26 HA ALA 26 17.426 -3.504 -0.446 205 1HB ALA 26 1HB ALA 26 15.639 -2.235 0.363 206 2HB ALA 26 2HB ALA 26 14.996 -3.873 0.261 207 3HB ALA 26 3HB ALA 26 14.591 -2.689 -0.982 208 H GLY 27 H GLY 27 16.157 -4.042 -3.561 209 1HA GLY 27 1HA GLY 27 16.576 -6.144 -4.629 210 2HA GLY 27 2HA GLY 27 16.317 -6.939 -3.089 211 H LEU 28 H LEU 28 14.051 -4.479 -4.133 212 HA LEU 28 HA LEU 28 12.216 -6.586 -4.979 213 1HB LEU 28 1HB LEU 28 10.959 -4.326 -3.585 214 2HB LEU 28 2HB LEU 28 10.568 -6.034 -3.538 215 HG LEU 28 HG LEU 28 12.849 -6.092 -2.142 216 1HD1 LEU 28 1HD1 LEU 28 11.930 -3.317 -2.094 217 2HD1 LEU 28 2HD1 LEU 28 13.558 -3.976 -1.999 218 3HD1 LEU 28 3HD1 LEU 28 12.503 -4.021 -0.584 219 1HD2 LEU 28 1HD2 LEU 28 10.568 -5.152 -0.543 220 2HD2 LEU 28 2HD2 LEU 28 11.530 -6.623 -0.389 221 3HD2 LEU 28 3HD2 LEU 28 10.247 -6.528 -1.598 222 H THR 29 H THR 29 10.176 -5.582 -5.978 223 HA THR 29 HA THR 29 11.057 -3.533 -7.901 224 HB THR 29 HB THR 29 8.885 -5.629 -8.075 225 HG1 THR 29 HG1 THR 29 11.491 -5.423 -9.037 226 1HG2 THR 29 1HG2 THR 29 7.957 -4.056 -9.436 227 2HG2 THR 29 2HG2 THR 29 9.019 -4.884 -10.575 228 3HG2 THR 29 3HG2 THR 29 9.511 -3.345 -9.865 229 H CYS 30 H CYS 30 10.448 -1.572 -7.179 230 HA CYS 30 HA CYS 30 7.821 -1.294 -5.928 231 1HB CYS 30 1HB CYS 30 9.991 -0.385 -4.888 232 2HB CYS 30 2HB CYS 30 9.864 0.883 -6.098 233 HG CYS 30 HG CYS 30 7.816 1.812 -4.952 234 H THR 31 H THR 31 6.190 -0.731 -7.136 235 HA THR 31 HA THR 31 6.644 1.146 -9.363 236 HB THR 31 HB THR 31 5.853 -1.289 -9.896 237 HG1 THR 31 HG1 THR 31 5.009 1.126 -10.899 238 1HG2 THR 31 1HG2 THR 31 4.130 -1.617 -8.342 239 2HG2 THR 31 2HG2 THR 31 3.345 -1.429 -9.906 240 3HG2 THR 31 3HG2 THR 31 3.357 -0.099 -8.753 241 H THR 32 H THR 32 4.862 2.680 -9.701 242 HA THR 32 HA THR 32 3.183 3.003 -7.324 243 HB THR 32 HB THR 32 3.581 5.364 -7.268 244 HG1 THR 32 HG1 THR 32 3.961 6.135 -9.200 245 1HG2 THR 32 1HG2 THR 32 6.364 4.462 -7.664 246 2HG2 THR 32 2HG2 THR 32 5.405 3.611 -6.449 247 3HG2 THR 32 3HG2 THR 32 5.636 5.358 -6.332 248 H PHE 33 H PHE 33 1.326 4.389 -7.638 249 HA PHE 33 HA PHE 33 0.409 4.493 -10.415 250 1HB PHE 33 1HB PHE 33 -1.252 3.497 -8.126 251 2HB PHE 33 2HB PHE 33 -1.748 3.619 -9.794 252 HD1 PHE 33 HD1 PHE 33 -1.771 1.652 -11.006 253 HD2 PHE 33 HD2 PHE 33 0.998 2.060 -7.807 254 HE1 PHE 33 HE1 PHE 33 -1.051 -0.667 -11.340 255 HE2 PHE 33 HE2 PHE 33 1.733 -0.252 -8.141 256 HZ PHE 33 HZ PHE 33 0.698 -1.634 -9.911 257 H GLU 34 H GLU 34 -1.797 5.670 -10.476 258 HA GLU 34 HA GLU 34 -1.343 8.332 -9.860 259 1HB GLU 34 1HB GLU 34 -3.732 8.659 -10.483 260 2HB GLU 34 2HB GLU 34 -2.806 7.713 -11.643 261 1HG GLU 34 1HG GLU 34 -4.617 6.379 -11.547 262 2HG GLU 34 2HG GLU 34 -3.768 5.722 -10.150 263 H ASN 35 H ASN 35 -3.629 6.115 -8.138 264 HA ASN 35 HA ASN 35 -3.254 7.729 -5.787 265 1HB ASN 35 1HB ASN 35 -5.662 7.936 -7.442 266 2HB ASN 35 2HB ASN 35 -5.972 7.698 -5.728 267 1HD2 ASN 35 1HD2 ASN 35 -3.989 9.085 -4.534 268 2HD2 ASN 35 2HD2 ASN 35 -4.107 10.763 -4.926 269 H GLY 36 H GLY 36 -5.327 5.230 -7.146 270 1HA GLY 36 1HA GLY 36 -4.540 3.285 -5.236 271 2HA GLY 36 2HA GLY 36 -6.050 4.020 -4.759 272 H ASN 37 H ASN 37 -7.280 4.373 -7.206 273 HA ASN 37 HA ASN 37 -8.371 1.821 -7.637 274 1HB ASN 37 1HB ASN 37 -8.654 4.489 -8.916 275 2HB ASN 37 2HB ASN 37 -9.213 3.091 -9.830 276 1HD2 ASN 37 1HD2 ASN 37 -10.357 1.471 -8.137 277 2HD2 ASN 37 2HD2 ASN 37 -11.650 2.221 -7.272 278 H GLU 38 H GLU 38 -5.714 3.492 -9.082 279 HA GLU 38 HA GLU 38 -5.509 2.089 -11.489 280 1HB GLU 38 1HB GLU 38 -3.947 3.930 -9.973 281 2HB GLU 38 2HB GLU 38 -2.910 2.635 -10.525 282 1HG GLU 38 1HG GLU 38 -4.762 4.021 -12.412 283 2HG GLU 38 2HG GLU 38 -3.189 4.707 -12.008 284 H VAL 39 H VAL 39 -4.058 1.352 -8.279 285 HA VAL 39 HA VAL 39 -2.701 -0.979 -9.121 286 HB VAL 39 HB VAL 39 -3.827 -0.538 -6.354 287 1HG1 VAL 39 1HG1 VAL 39 -1.243 -1.886 -6.918 288 2HG1 VAL 39 2HG1 VAL 39 -2.727 -2.772 -7.260 289 3HG1 VAL 39 3HG1 VAL 39 -2.409 -2.180 -5.631 290 1HG2 VAL 39 1HG2 VAL 39 -1.485 0.654 -7.739 291 2HG2 VAL 39 2HG2 VAL 39 -1.368 0.293 -6.021 292 3HG2 VAL 39 3HG2 VAL 39 -2.614 1.386 -6.613 293 H LEU 40 H LEU 40 -5.941 -0.496 -7.819 294 HA LEU 40 HA LEU 40 -6.743 -3.107 -7.444 295 1HB LEU 40 1HB LEU 40 -8.504 -0.960 -8.610 296 2HB LEU 40 2HB LEU 40 -8.993 -2.315 -7.610 297 HG LEU 40 HG LEU 40 -7.378 0.074 -6.712 298 1HD1 LEU 40 1HD1 LEU 40 -9.674 -0.212 -5.175 299 2HD1 LEU 40 2HD1 LEU 40 -10.203 -0.460 -6.836 300 3HD1 LEU 40 3HD1 LEU 40 -9.356 1.018 -6.388 301 1HD2 LEU 40 1HD2 LEU 40 -8.460 -1.812 -4.731 302 2HD2 LEU 40 2HD2 LEU 40 -6.935 -0.925 -4.745 303 3HD2 LEU 40 3HD2 LEU 40 -7.102 -2.407 -5.686 304 H ALA 41 H ALA 41 -6.734 -1.205 -10.427 305 HA ALA 41 HA ALA 41 -7.925 -3.247 -12.018 306 1HB ALA 41 1HB ALA 41 -7.529 -1.834 -13.879 307 2HB ALA 41 2HB ALA 41 -6.258 -0.960 -13.022 308 3HB ALA 41 3HB ALA 41 -7.942 -0.779 -12.527 309 H ALA 42 H ALA 42 -4.639 -2.065 -11.620 310 HA ALA 42 HA ALA 42 -3.388 -3.826 -13.414 311 1HB ALA 42 1HB ALA 42 -1.872 -2.243 -12.912 312 2HB ALA 42 2HB ALA 42 -1.423 -3.326 -11.594 313 3HB ALA 42 3HB ALA 42 -2.526 -1.983 -11.296 314 H LEU 43 H LEU 43 -4.350 -4.172 -10.078 315 HA LEU 43 HA LEU 43 -2.848 -6.495 -9.513 316 1HB LEU 43 1HB LEU 43 -5.150 -5.094 -8.257 317 2HB LEU 43 2HB LEU 43 -4.790 -6.732 -7.743 318 HG LEU 43 HG LEU 43 -2.681 -4.597 -7.744 319 1HD1 LEU 43 1HD1 LEU 43 -4.431 -5.317 -5.402 320 2HD1 LEU 43 2HD1 LEU 43 -4.687 -3.890 -6.405 321 3HD1 LEU 43 3HD1 LEU 43 -3.194 -4.063 -5.482 322 1HD2 LEU 43 1HD2 LEU 43 -2.026 -6.193 -5.760 323 2HD2 LEU 43 2HD2 LEU 43 -1.616 -6.597 -7.428 324 3HD2 LEU 43 3HD2 LEU 43 -3.015 -7.344 -6.656 325 H ALA 44 H ALA 44 -5.751 -5.970 -11.260 326 HA ALA 44 HA ALA 44 -7.086 -8.388 -10.912 327 1HB ALA 44 1HB ALA 44 -8.494 -7.601 -12.465 328 2HB ALA 44 2HB ALA 44 -7.204 -7.324 -13.634 329 3HB ALA 44 3HB ALA 44 -7.524 -6.131 -12.374 330 H SER 45 H SER 45 -4.134 -7.749 -12.537 331 HA SER 45 HA SER 45 -4.150 -10.467 -13.602 332 1HB SER 45 1HB SER 45 -3.571 -7.931 -14.964 333 2HB SER 45 2HB SER 45 -2.377 -9.198 -15.245 334 HG SER 45 HG SER 45 -5.121 -9.169 -15.863 335 H LYS 46 H LYS 46 -2.769 -8.510 -11.348 336 HA LYS 46 HA LYS 46 -0.510 -10.270 -11.071 337 1HB LYS 46 1HB LYS 46 -0.165 -7.815 -12.382 338 2HB LYS 46 2HB LYS 46 0.473 -7.575 -10.761 339 1HG LYS 46 1HG LYS 46 1.473 -10.048 -11.586 340 2HG LYS 46 2HG LYS 46 1.615 -8.988 -12.989 341 1HD LYS 46 1HD LYS 46 2.632 -7.287 -11.371 342 2HD LYS 46 2HD LYS 46 2.788 -8.635 -10.244 343 1HE LYS 46 1HE LYS 46 4.572 -9.435 -11.314 344 2HE LYS 46 2HE LYS 46 3.780 -9.307 -12.884 345 1HZ LYS 46 1HZ LYS 46 4.448 -7.051 -13.073 346 2HZ LYS 46 2HZ LYS 46 5.822 -7.929 -12.626 347 3HZ LYS 46 3HZ LYS 46 5.003 -6.998 -11.475 348 H THR 47 H THR 47 0.481 -10.154 -8.978 349 HA THR 47 HA THR 47 -0.873 -8.476 -7.030 350 HB THR 47 HB THR 47 -0.563 -11.466 -6.788 351 HG1 THR 47 HG1 THR 47 -2.595 -11.533 -7.281 352 1HG2 THR 47 1HG2 THR 47 -1.742 -9.578 -4.769 353 2HG2 THR 47 2HG2 THR 47 -0.161 -10.349 -4.626 354 3HG2 THR 47 3HG2 THR 47 -1.627 -11.332 -4.643 355 HA PRO 48 HA PRO 48 3.493 -8.223 -5.959 356 1HB PRO 48 1HB PRO 48 3.344 -5.990 -4.469 357 2HB PRO 48 2HB PRO 48 3.273 -5.937 -6.234 358 1HG PRO 48 1HG PRO 48 1.054 -5.765 -4.239 359 2HG PRO 48 2HG PRO 48 1.286 -4.850 -5.740 360 1HD PRO 48 1HD PRO 48 -0.378 -7.020 -5.493 361 2HD PRO 48 2HD PRO 48 0.347 -6.490 -7.021 362 H ASP 49 H ASP 49 4.697 -8.277 -3.906 363 HA ASP 49 HA ASP 49 3.367 -9.953 -2.012 364 1HB ASP 49 1HB ASP 49 6.119 -8.697 -1.894 365 2HB ASP 49 2HB ASP 49 5.520 -9.947 -0.809 366 H VAL 50 H VAL 50 4.032 -6.556 -2.268 367 HA VAL 50 HA VAL 50 2.582 -6.110 0.223 368 HB VAL 50 HB VAL 50 4.882 -6.096 0.941 369 1HG1 VAL 50 1HG1 VAL 50 5.696 -3.833 -0.757 370 2HG1 VAL 50 2HG1 VAL 50 5.555 -5.398 -1.551 371 3HG1 VAL 50 3HG1 VAL 50 6.629 -5.204 -0.167 372 1HG2 VAL 50 1HG2 VAL 50 5.120 -3.788 1.760 373 2HG2 VAL 50 2HG2 VAL 50 3.492 -4.430 1.980 374 3HG2 VAL 50 3HG2 VAL 50 3.822 -3.290 0.674 375 H LEU 51 H LEU 51 1.799 -3.832 0.385 376 HA LEU 51 HA LEU 51 1.951 -2.258 -2.048 377 1HB LEU 51 1HB LEU 51 0.160 -3.872 -2.516 378 2HB LEU 51 2HB LEU 51 -0.679 -3.362 -1.066 379 HG LEU 51 HG LEU 51 -0.691 -1.012 -2.179 380 1HD1 LEU 51 1HD1 LEU 51 -0.773 -1.117 -4.640 381 2HD1 LEU 51 2HD1 LEU 51 -0.215 -2.790 -4.567 382 3HD1 LEU 51 3HD1 LEU 51 0.826 -1.486 -3.994 383 1HD2 LEU 51 1HD2 LEU 51 -2.822 -1.660 -2.083 384 2HD2 LEU 51 2HD2 LEU 51 -2.424 -3.332 -2.471 385 3HD2 LEU 51 3HD2 LEU 51 -2.621 -2.152 -3.764 386 H LEU 52 H LEU 52 1.044 -0.166 -1.891 387 HA LEU 52 HA LEU 52 0.390 0.770 0.809 388 1HB LEU 52 1HB LEU 52 2.475 1.892 -1.053 389 2HB LEU 52 2HB LEU 52 1.885 2.748 0.352 390 HG LEU 52 HG LEU 52 2.839 0.075 0.993 391 1HD1 LEU 52 1HD1 LEU 52 4.642 1.963 -0.459 392 2HD1 LEU 52 2HD1 LEU 52 4.546 0.209 -0.560 393 3HD1 LEU 52 3HD1 LEU 52 5.282 0.976 0.852 394 1HD2 LEU 52 1HD2 LEU 52 3.520 1.091 2.899 395 2HD2 LEU 52 2HD2 LEU 52 2.322 2.283 2.374 396 3HD2 LEU 52 3HD2 LEU 52 4.043 2.548 2.058 397 H SER 53 H SER 53 -1.400 2.088 0.801 398 HA SER 53 HA SER 53 -2.344 3.096 -1.801 399 1HB SER 53 1HB SER 53 -3.886 1.567 -0.736 400 2HB SER 53 2HB SER 53 -3.874 2.532 0.739 401 HG SER 53 HG SER 53 -5.690 3.052 -0.475 402 H ASP 54 H ASP 54 -2.903 5.175 -2.177 403 HA ASP 54 HA ASP 54 -1.723 7.214 -0.638 404 1HB ASP 54 1HB ASP 54 -2.137 7.359 -3.088 405 2HB ASP 54 2HB ASP 54 -3.848 7.569 -2.736 406 H ILE 55 H ILE 55 -5.006 6.030 -0.786 407 HA ILE 55 HA ILE 55 -6.911 6.651 0.342 408 HB ILE 55 HB ILE 55 -5.663 5.429 2.029 409 1HG1 ILE 55 1HG1 ILE 55 -7.827 6.491 2.702 410 2HG1 ILE 55 2HG1 ILE 55 -6.736 6.161 4.027 411 1HG2 ILE 55 1HG2 ILE 55 -4.320 8.039 2.515 412 2HG2 ILE 55 2HG2 ILE 55 -3.622 6.446 2.257 413 3HG2 ILE 55 3HG2 ILE 55 -4.416 6.825 3.783 414 1HD1 ILE 55 1HD1 ILE 55 -6.069 8.707 3.468 415 2HD1 ILE 55 2HD1 ILE 55 -7.277 8.231 4.652 416 3HD1 ILE 55 3HD1 ILE 55 -7.773 8.711 3.029 417 H ARG 56 H ARG 56 -7.484 8.591 -0.748 418 HA ARG 56 HA ARG 56 -7.603 10.915 0.852 419 1HB ARG 56 1HB ARG 56 -5.140 10.768 -0.078 420 2HB ARG 56 2HB ARG 56 -5.876 11.456 -1.519 421 1HG ARG 56 1HG ARG 56 -6.811 12.952 0.690 422 2HG ARG 56 2HG ARG 56 -5.067 12.761 0.880 423 1HD ARG 56 1HD ARG 56 -5.221 13.357 -1.753 424 2HD ARG 56 2HD ARG 56 -6.603 14.256 -1.140 425 HE ARG 56 HE ARG 56 -3.822 14.618 -0.231 426 1HH1 ARG 56 1HH1 ARG 56 -7.051 15.877 -0.732 427 2HH1 ARG 56 2HH1 ARG 56 -6.624 17.482 -0.251 428 1HH2 ARG 56 1HH2 ARG 56 -3.275 16.734 0.390 429 2HH2 ARG 56 2HH2 ARG 56 -4.490 17.969 0.386 430 H MET 57 H MET 57 -9.754 10.835 0.258 431 HA MET 57 HA MET 57 -11.626 11.275 -0.941 432 1HB MET 57 1HB MET 57 -9.709 13.324 -1.455 433 2HB MET 57 2HB MET 57 -10.664 13.076 -2.909 434 1HG MET 57 1HG MET 57 -12.170 13.226 -0.383 435 2HG MET 57 2HG MET 57 -11.379 14.710 -0.910 436 1HE MET 57 1HE MET 57 -14.164 16.063 -1.658 437 2HE MET 57 2HE MET 57 -13.967 14.903 -0.344 438 3HE MET 57 3HE MET 57 -15.247 14.675 -1.537 439 HA PRO 58 HA PRO 58 -10.432 8.944 -4.841 440 1HB PRO 58 1HB PRO 58 -10.270 6.383 -4.089 441 2HB PRO 58 2HB PRO 58 -8.896 7.480 -3.909 442 1HG PRO 58 1HG PRO 58 -10.754 6.423 -1.846 443 2HG PRO 58 2HG PRO 58 -9.048 6.866 -1.710 444 1HD PRO 58 1HD PRO 58 -11.289 8.424 -0.951 445 2HD PRO 58 2HD PRO 58 -9.595 8.939 -1.005 446 H GLY 59 H GLY 59 -12.303 7.241 -2.342 447 1HA GLY 59 1HA GLY 59 -14.738 7.453 -3.925 448 2HA GLY 59 2HA GLY 59 -14.154 5.831 -3.570 449 H MET 60 H MET 60 -13.077 7.017 -0.959 450 HA MET 60 HA MET 60 -15.353 7.759 0.578 451 1HB MET 60 1HB MET 60 -15.647 5.250 0.230 452 2HB MET 60 2HB MET 60 -14.203 5.044 1.214 453 1HG MET 60 1HG MET 60 -16.059 4.749 2.641 454 2HG MET 60 2HG MET 60 -15.356 6.317 3.025 455 1HE MET 60 1HE MET 60 -18.167 4.657 3.308 456 2HE MET 60 2HE MET 60 -19.533 5.703 2.920 457 3HE MET 60 3HE MET 60 -18.396 6.170 4.185 458 H ASP 61 H ASP 61 -13.560 9.358 0.668 459 HA ASP 61 HA ASP 61 -12.097 10.526 1.954 460 1HB ASP 61 1HB ASP 61 -13.306 8.719 3.744 461 2HB ASP 61 2HB ASP 61 -11.581 8.676 4.093 462 H GLY 62 H GLY 62 -11.422 7.253 1.101 463 1HA GLY 62 1HA GLY 62 -9.101 7.298 -0.052 464 2HA GLY 62 2HA GLY 62 -8.568 7.637 1.576 465 H LEU 63 H LEU 63 -10.519 5.998 2.859 466 HA LEU 63 HA LEU 63 -9.123 3.525 2.750 467 1HB LEU 63 1HB LEU 63 -11.662 4.229 4.207 468 2HB LEU 63 2HB LEU 63 -10.689 2.796 4.482 469 HG LEU 63 HG LEU 63 -8.801 4.642 4.896 470 1HD1 LEU 63 1HD1 LEU 63 -10.570 6.211 6.430 471 2HD1 LEU 63 2HD1 LEU 63 -11.215 6.167 4.789 472 3HD1 LEU 63 3HD1 LEU 63 -9.562 6.715 5.073 473 1HD2 LEU 63 1HD2 LEU 63 -9.503 2.848 6.422 474 2HD2 LEU 63 2HD2 LEU 63 -10.852 3.847 6.955 475 3HD2 LEU 63 3HD2 LEU 63 -9.192 4.367 7.265 476 H ALA 64 H ALA 64 -11.778 4.794 1.029 477 HA ALA 64 HA ALA 64 -13.373 2.563 0.553 478 1HB ALA 64 1HB ALA 64 -12.929 4.081 -1.872 479 2HB ALA 64 2HB ALA 64 -13.156 5.129 -0.477 480 3HB ALA 64 3HB ALA 64 -14.385 3.936 -0.886 481 H LEU 65 H LEU 65 -10.240 3.434 -0.720 482 HA LEU 65 HA LEU 65 -10.088 1.619 -2.848 483 1HB LEU 65 1HB LEU 65 -7.908 2.731 -1.083 484 2HB LEU 65 2HB LEU 65 -7.630 1.875 -2.588 485 HG LEU 65 HG LEU 65 -9.269 4.394 -2.445 486 1HD1 LEU 65 1HD1 LEU 65 -7.035 4.858 -1.579 487 2HD1 LEU 65 2HD1 LEU 65 -7.290 5.613 -3.151 488 3HD1 LEU 65 3HD1 LEU 65 -6.324 4.144 -3.024 489 1HD2 LEU 65 1HD2 LEU 65 -9.451 4.229 -4.670 490 2HD2 LEU 65 2HD2 LEU 65 -9.013 2.538 -4.434 491 3HD2 LEU 65 3HD2 LEU 65 -7.779 3.715 -4.866 492 H LEU 66 H LEU 66 -9.495 1.261 0.594 493 HA LEU 66 HA LEU 66 -8.232 -1.249 0.543 494 1HB LEU 66 1HB LEU 66 -9.901 0.137 2.624 495 2HB LEU 66 2HB LEU 66 -9.231 -1.459 2.893 496 HG LEU 66 HG LEU 66 -7.874 0.330 3.901 497 1HD1 LEU 66 1HD1 LEU 66 -5.696 -0.366 2.829 498 2HD1 LEU 66 2HD1 LEU 66 -6.660 -1.314 1.703 499 3HD1 LEU 66 3HD1 LEU 66 -6.721 -1.666 3.427 500 1HD2 LEU 66 1HD2 LEU 66 -7.028 1.177 1.160 501 2HD2 LEU 66 2HD2 LEU 66 -6.861 2.025 2.696 502 3HD2 LEU 66 3HD2 LEU 66 -8.437 1.911 1.922 503 H LYS 67 H LYS 67 -11.631 -0.329 0.783 504 HA LYS 67 HA LYS 67 -12.764 -2.839 1.120 505 1HB LYS 67 1HB LYS 67 -13.950 -0.630 1.197 506 2HB LYS 67 2HB LYS 67 -13.913 -0.615 -0.563 507 1HG LYS 67 1HG LYS 67 -15.271 -2.596 -0.658 508 2HG LYS 67 2HG LYS 67 -15.219 -2.756 1.099 509 1HD LYS 67 1HD LYS 67 -16.540 -0.832 1.416 510 2HD LYS 67 2HD LYS 67 -16.317 -0.309 -0.256 511 1HE LYS 67 1HE LYS 67 -17.477 -2.549 -0.846 512 2HE LYS 67 2HE LYS 67 -18.030 -2.510 0.828 513 1HZ LYS 67 1HZ LYS 67 -18.486 -0.345 -1.152 514 2HZ LYS 67 2HZ LYS 67 -19.092 -0.406 0.425 515 3HZ LYS 67 3HZ LYS 67 -19.626 -1.522 -0.728 516 H GLN 68 H GLN 68 -11.776 -1.190 -1.845 517 HA GLN 68 HA GLN 68 -12.754 -3.140 -3.648 518 1HB GLN 68 1HB GLN 68 -10.630 -1.020 -3.882 519 2HB GLN 68 2HB GLN 68 -11.039 -2.083 -5.219 520 1HG GLN 68 1HG GLN 68 -12.884 -0.141 -3.850 521 2HG GLN 68 2HG GLN 68 -12.148 0.049 -5.443 522 1HE2 GLN 68 1HE2 GLN 68 -13.158 -0.773 -7.167 523 2HE2 GLN 68 2HE2 GLN 68 -14.587 -1.742 -7.111 524 H ILE 69 H ILE 69 -9.766 -2.751 -1.873 525 HA ILE 69 HA ILE 69 -8.206 -4.597 -3.280 526 HB ILE 69 HB ILE 69 -7.991 -3.689 -0.413 527 1HG1 ILE 69 1HG1 ILE 69 -6.433 -2.827 -2.855 528 2HG1 ILE 69 2HG1 ILE 69 -7.831 -1.963 -2.234 529 1HG2 ILE 69 1HG2 ILE 69 -5.931 -4.694 -0.208 530 2HG2 ILE 69 2HG2 ILE 69 -5.675 -4.771 -1.949 531 3HG2 ILE 69 3HG2 ILE 69 -6.785 -5.896 -1.173 532 1HD1 ILE 69 1HD1 ILE 69 -5.645 -1.003 -1.566 533 2HD1 ILE 69 2HD1 ILE 69 -5.332 -2.473 -0.648 534 3HD1 ILE 69 3HD1 ILE 69 -6.683 -1.434 -0.211 535 H LYS 70 H LYS 70 -10.388 -5.010 -0.580 536 HA LYS 70 HA LYS 70 -9.720 -7.759 -0.176 537 1HB LYS 70 1HB LYS 70 -11.471 -7.773 1.478 538 2HB LYS 70 2HB LYS 70 -10.545 -6.286 1.639 539 1HG LYS 70 1HG LYS 70 -12.414 -5.121 1.483 540 2HG LYS 70 2HG LYS 70 -12.646 -5.748 -0.149 541 1HD LYS 70 1HD LYS 70 -13.921 -7.593 0.657 542 2HD LYS 70 2HD LYS 70 -13.521 -7.209 2.332 543 1HE LYS 70 1HE LYS 70 -14.996 -5.468 2.429 544 2HE LYS 70 2HE LYS 70 -14.855 -5.114 0.708 545 1HZ LYS 70 1HZ LYS 70 -16.960 -5.999 0.885 546 2HZ LYS 70 2HZ LYS 70 -16.515 -7.143 2.049 547 3HZ LYS 70 3HZ LYS 70 -16.058 -7.358 0.435 548 H GLN 71 H GLN 71 -11.955 -6.033 -2.149 549 HA GLN 71 HA GLN 71 -13.642 -8.310 -2.604 550 1HB GLN 71 1HB GLN 71 -14.892 -6.367 -2.606 551 2HB GLN 71 2HB GLN 71 -13.654 -5.450 -3.442 552 1HG GLN 71 1HG GLN 71 -14.674 -7.550 -5.129 553 2HG GLN 71 2HG GLN 71 -15.981 -6.549 -4.508 554 1HE2 GLN 71 1HE2 GLN 71 -12.713 -5.406 -5.084 555 2HE2 GLN 71 2HE2 GLN 71 -13.115 -4.351 -6.392 556 H ARG 72 H ARG 72 -11.075 -6.628 -4.267 557 HA ARG 72 HA ARG 72 -11.422 -8.315 -6.616 558 1HB ARG 72 1HB ARG 72 -9.983 -5.790 -6.048 559 2HB ARG 72 2HB ARG 72 -9.295 -6.836 -7.281 560 1HG ARG 72 1HG ARG 72 -12.197 -6.170 -7.386 561 2HG ARG 72 2HG ARG 72 -11.007 -4.984 -7.926 562 1HD ARG 72 1HD ARG 72 -10.210 -7.390 -9.083 563 2HD ARG 72 2HD ARG 72 -11.965 -7.370 -9.240 564 HE ARG 72 HE ARG 72 -10.697 -4.909 -10.017 565 1HH1 ARG 72 1HH1 ARG 72 -11.711 -8.076 -11.075 566 2HH1 ARG 72 2HH1 ARG 72 -11.796 -7.626 -12.745 567 1HH2 ARG 72 1HH2 ARG 72 -10.815 -4.312 -12.203 568 2HH2 ARG 72 2HH2 ARG 72 -11.288 -5.485 -13.387 569 H HIS 73 H HIS 73 -9.337 -8.041 -3.867 570 HA HIS 73 HA HIS 73 -7.742 -10.267 -4.954 571 1HB HIS 73 1HB HIS 73 -6.404 -8.544 -2.964 572 2HB HIS 73 2HB HIS 73 -5.762 -9.297 -4.420 573 HD1 HIS 73 HD1 HIS 73 -6.597 -8.023 -6.734 574 HD2 HIS 73 HD2 HIS 73 -6.752 -5.892 -3.184 575 HE1 HIS 73 HE1 HIS 73 -6.760 -5.603 -7.408 576 HE2 HIS 73 HE2 HIS 73 -6.907 -4.335 -5.239 577 HA PRO 74 HA PRO 74 -8.600 -12.513 -1.293 578 1HB PRO 74 1HB PRO 74 -6.248 -13.777 -0.761 579 2HB PRO 74 2HB PRO 74 -7.323 -14.232 -2.085 580 1HG PRO 74 1HG PRO 74 -4.797 -12.658 -2.148 581 2HG PRO 74 2HG PRO 74 -5.430 -13.816 -3.326 582 1HD PRO 74 1HD PRO 74 -5.559 -11.089 -3.613 583 2HD PRO 74 2HD PRO 74 -6.667 -12.228 -4.398 584 H MET 75 H MET 75 -5.204 -11.978 -0.460 585 HA MET 75 HA MET 75 -6.019 -10.181 1.690 586 1HB MET 75 1HB MET 75 -4.459 -12.739 2.053 587 2HB MET 75 2HB MET 75 -4.538 -11.473 3.270 588 1HG MET 75 1HG MET 75 -6.273 -12.611 4.069 589 2HG MET 75 2HG MET 75 -7.174 -11.888 2.738 590 1HE MET 75 1HE MET 75 -7.629 -14.591 4.476 591 2HE MET 75 2HE MET 75 -8.143 -15.796 3.297 592 3HE MET 75 3HE MET 75 -8.866 -14.187 3.288 593 H LEU 76 H LEU 76 -4.818 -9.288 -0.539 594 HA LEU 76 HA LEU 76 -2.007 -9.289 -0.522 595 1HB LEU 76 1HB LEU 76 -3.267 -8.628 -2.481 596 2HB LEU 76 2HB LEU 76 -3.970 -7.277 -1.613 597 HG LEU 76 HG LEU 76 -1.373 -6.649 -1.348 598 1HD1 LEU 76 1HD1 LEU 76 -0.917 -8.766 -2.763 599 2HD1 LEU 76 2HD1 LEU 76 -0.048 -7.277 -3.136 600 3HD1 LEU 76 3HD1 LEU 76 -1.430 -7.761 -4.118 601 1HD2 LEU 76 1HD2 LEU 76 -1.700 -5.053 -3.090 602 2HD2 LEU 76 2HD2 LEU 76 -3.253 -5.291 -2.286 603 3HD2 LEU 76 3HD2 LEU 76 -2.943 -6.050 -3.847 604 HA PRO 77 HA PRO 77 -1.397 -6.871 3.223 605 1HB PRO 77 1HB PRO 77 1.306 -6.536 2.045 606 2HB PRO 77 2HB PRO 77 0.840 -7.114 3.647 607 1HG PRO 77 1HG PRO 77 1.734 -8.789 1.757 608 2HG PRO 77 2HG PRO 77 0.481 -9.270 2.914 609 1HD PRO 77 1HD PRO 77 0.227 -8.538 0.036 610 2HD PRO 77 2HD PRO 77 -0.699 -9.713 0.991 611 H VAL 78 H VAL 78 -2.175 -4.847 3.283 612 HA VAL 78 HA VAL 78 -1.175 -2.926 1.280 613 HB VAL 78 HB VAL 78 -3.758 -2.489 2.729 614 1HG1 VAL 78 1HG1 VAL 78 -2.699 -1.633 0.037 615 2HG1 VAL 78 2HG1 VAL 78 -2.824 -0.633 1.485 616 3HG1 VAL 78 3HG1 VAL 78 -4.284 -1.216 0.685 617 1HG2 VAL 78 1HG2 VAL 78 -4.957 -3.564 0.879 618 2HG2 VAL 78 2HG2 VAL 78 -3.974 -4.714 1.780 619 3HG2 VAL 78 3HG2 VAL 78 -3.423 -4.121 0.213 620 H ILE 79 H ILE 79 -0.446 -0.992 1.919 621 HA ILE 79 HA ILE 79 -0.445 -0.406 4.807 622 HB ILE 79 HB ILE 79 1.770 0.333 2.915 623 1HG1 ILE 79 1HG1 ILE 79 2.272 -1.759 4.929 624 2HG1 ILE 79 2HG1 ILE 79 1.271 -2.241 3.562 625 1HG2 ILE 79 1HG2 ILE 79 1.187 1.390 5.317 626 2HG2 ILE 79 2HG2 ILE 79 2.825 1.269 4.676 627 3HG2 ILE 79 3HG2 ILE 79 2.231 0.057 5.813 628 1HD1 ILE 79 1HD1 ILE 79 3.257 -0.956 2.283 629 2HD1 ILE 79 2HD1 ILE 79 3.244 -2.682 2.624 630 3HD1 ILE 79 3HD1 ILE 79 4.126 -1.589 3.682 631 H ILE 80 H ILE 80 -1.633 1.355 5.151 632 HA ILE 80 HA ILE 80 -2.014 3.218 2.959 633 HB ILE 80 HB ILE 80 -3.404 3.434 5.612 634 1HG1 ILE 80 1HG1 ILE 80 -3.655 1.106 5.009 635 2HG1 ILE 80 2HG1 ILE 80 -5.167 1.925 4.647 636 1HG2 ILE 80 1HG2 ILE 80 -5.002 4.633 4.464 637 2HG2 ILE 80 2HG2 ILE 80 -4.571 3.917 2.910 638 3HG2 ILE 80 3HG2 ILE 80 -3.512 5.108 3.657 639 1HD1 ILE 80 1HD1 ILE 80 -3.835 0.271 2.957 640 2HD1 ILE 80 2HD1 ILE 80 -3.295 1.856 2.411 641 3HD1 ILE 80 3HD1 ILE 80 -5.016 1.484 2.467 642 H MET 81 H MET 81 -1.148 5.126 2.781 643 HA MET 81 HA MET 81 0.731 6.031 4.750 644 1HB MET 81 1HB MET 81 1.051 7.947 3.117 645 2HB MET 81 2HB MET 81 1.481 6.335 2.572 646 1HG MET 81 1HG MET 81 -1.151 6.602 1.794 647 2HG MET 81 2HG MET 81 -0.467 8.199 1.522 648 1HE MET 81 1HE MET 81 1.531 4.707 1.225 649 2HE MET 81 2HE MET 81 1.036 4.305 -0.417 650 3HE MET 81 3HE MET 81 -0.168 4.424 0.862 651 H THR 82 H THR 82 -2.552 6.424 4.601 652 HA THR 82 HA THR 82 -2.388 8.754 6.338 653 HB THR 82 HB THR 82 -4.409 8.815 4.118 654 HG1 THR 82 HG1 THR 82 -3.009 10.139 2.963 655 1HG2 THR 82 1HG2 THR 82 -3.430 11.356 4.930 656 2HG2 THR 82 2HG2 THR 82 -3.958 10.443 6.344 657 3HG2 THR 82 3HG2 THR 82 -5.069 10.713 5.001 658 H ALA 83 H ALA 83 -4.023 8.850 7.862 659 HA ALA 83 HA ALA 83 -6.393 7.257 7.651 660 1HB ALA 83 1HB ALA 83 -5.849 5.410 8.753 661 2HB ALA 83 2HB ALA 83 -5.054 6.322 10.038 662 3HB ALA 83 3HB ALA 83 -4.163 5.904 8.576 663 H HIS 84 H HIS 84 -6.727 9.719 7.959 664 HA HIS 84 HA HIS 84 -6.634 10.458 10.789 665 1HB HIS 84 1HB HIS 84 -7.278 12.731 9.951 666 2HB HIS 84 2HB HIS 84 -5.738 12.140 9.337 667 HD1 HIS 84 HD1 HIS 84 -9.303 12.702 8.251 668 HD2 HIS 84 HD2 HIS 84 -5.571 11.937 6.597 669 HE1 HIS 84 HE1 HIS 84 -9.601 12.973 5.768 670 HE2 HIS 84 HE2 HIS 84 -7.342 12.449 4.782 671 H SER 85 H SER 85 -8.944 10.232 8.100 672 HA SER 85 HA SER 85 -11.102 10.094 10.104 673 1HB SER 85 1HB SER 85 -10.869 11.753 7.661 674 2HB SER 85 2HB SER 85 -12.436 10.993 7.930 675 HG SER 85 HG SER 85 -12.793 12.448 9.382 676 H ASP 86 H ASP 86 -13.089 9.017 9.259 677 HA ASP 86 HA ASP 86 -14.138 7.167 8.464 678 1HB ASP 86 1HB ASP 86 -12.584 8.214 6.244 679 2HB ASP 86 2HB ASP 86 -12.805 6.472 6.115 680 H LEU 87 H LEU 87 -11.630 6.924 10.105 681 HA LEU 87 HA LEU 87 -9.995 4.845 9.397 682 1HB LEU 87 1HB LEU 87 -10.842 6.088 11.884 683 2HB LEU 87 2HB LEU 87 -10.449 4.392 12.094 684 HG LEU 87 HG LEU 87 -8.624 6.534 10.999 685 1HD1 LEU 87 1HD1 LEU 87 -8.389 6.868 13.217 686 2HD1 LEU 87 2HD1 LEU 87 -7.339 5.456 13.096 687 3HD1 LEU 87 3HD1 LEU 87 -9.008 5.271 13.636 688 1HD2 LEU 87 1HD2 LEU 87 -8.482 3.579 10.941 689 2HD2 LEU 87 2HD2 LEU 87 -7.007 4.445 11.368 690 3HD2 LEU 87 3HD2 LEU 87 -7.808 4.771 9.830 691 H ASP 88 H ASP 88 -13.354 4.663 10.135 692 HA ASP 88 HA ASP 88 -13.727 2.145 11.118 693 1HB ASP 88 1HB ASP 88 -15.880 2.150 9.801 694 2HB ASP 88 2HB ASP 88 -15.605 3.572 10.801 695 H ALA 89 H ALA 89 -13.558 2.954 7.642 696 HA ALA 89 HA ALA 89 -13.673 0.315 6.714 697 1HB ALA 89 1HB ALA 89 -12.465 2.766 5.450 698 2HB ALA 89 2HB ALA 89 -14.086 2.118 5.199 699 3HB ALA 89 3HB ALA 89 -12.679 1.226 4.616 700 H ALA 90 H ALA 90 -11.124 2.048 8.218 701 HA ALA 90 HA ALA 90 -8.906 0.643 7.147 702 1HB ALA 90 1HB ALA 90 -8.816 2.811 8.445 703 2HB ALA 90 2HB ALA 90 -7.623 1.599 8.906 704 3HB ALA 90 3HB ALA 90 -9.051 1.851 9.902 705 H VAL 91 H VAL 91 -11.037 0.114 9.896 706 HA VAL 91 HA VAL 91 -9.596 -2.008 11.044 707 HB VAL 91 HB VAL 91 -12.578 -1.645 11.240 708 1HG1 VAL 91 1HG1 VAL 91 -10.562 -3.321 12.542 709 2HG1 VAL 91 2HG1 VAL 91 -12.314 -3.525 12.434 710 3HG1 VAL 91 3HG1 VAL 91 -11.625 -2.469 13.667 711 1HG2 VAL 91 1HG2 VAL 91 -10.581 -0.447 13.138 712 2HG2 VAL 91 2HG2 VAL 91 -12.294 -0.072 12.951 713 3HG2 VAL 91 3HG2 VAL 91 -11.141 0.439 11.722 714 H SER 92 H SER 92 -12.290 -1.980 8.738 715 HA SER 92 HA SER 92 -12.624 -4.762 8.569 716 1HB SER 92 1HB SER 92 -13.512 -4.122 6.191 717 2HB SER 92 2HB SER 92 -14.377 -3.550 7.619 718 HG SER 92 HG SER 92 -14.089 -1.811 6.268 719 H ALA 93 H ALA 93 -10.385 -2.561 7.045 720 HA ALA 93 HA ALA 93 -9.448 -4.174 4.978 721 1HB ALA 93 1HB ALA 93 -7.466 -2.761 4.992 722 2HB ALA 93 2HB ALA 93 -7.925 -2.127 6.570 723 3HB ALA 93 3HB ALA 93 -8.932 -1.799 5.160 724 H TYR 94 H TYR 94 -8.529 -4.032 8.361 725 HA TYR 94 HA TYR 94 -6.284 -5.724 8.208 726 1HB TYR 94 1HB TYR 94 -8.176 -5.483 10.555 727 2HB TYR 94 2HB TYR 94 -6.492 -5.995 10.598 728 HD1 TYR 94 HD1 TYR 94 -8.440 -3.450 11.599 729 HD2 TYR 94 HD2 TYR 94 -5.020 -4.064 9.140 730 HE1 TYR 94 HE1 TYR 94 -7.745 -1.121 11.985 731 HE2 TYR 94 HE2 TYR 94 -4.323 -1.737 9.520 732 HH TYR 94 HH TYR 94 -4.647 0.048 11.099 733 H GLN 95 H GLN 95 -9.637 -6.332 7.973 734 HA GLN 95 HA GLN 95 -9.558 -9.093 8.740 735 1HB GLN 95 1HB GLN 95 -11.805 -8.993 8.615 736 2HB GLN 95 2HB GLN 95 -11.567 -7.263 8.447 737 1HG GLN 95 1HG GLN 95 -11.381 -8.057 5.860 738 2HG GLN 95 2HG GLN 95 -12.512 -9.244 6.499 739 1HE2 GLN 95 1HE2 GLN 95 -12.567 -6.704 4.736 740 2HE2 GLN 95 2HE2 GLN 95 -13.954 -5.858 5.326 741 H GLN 96 H GLN 96 -9.526 -7.322 5.675 742 HA GLN 96 HA GLN 96 -9.472 -9.703 4.105 743 1HB GLN 96 1HB GLN 96 -9.173 -8.261 2.195 744 2HB GLN 96 2HB GLN 96 -10.402 -7.576 3.249 745 1HG GLN 96 1HG GLN 96 -9.272 -5.675 2.977 746 2HG GLN 96 2HG GLN 96 -8.171 -6.350 4.170 747 1HE2 GLN 96 1HE2 GLN 96 -6.128 -6.273 3.642 748 2HE2 GLN 96 2HE2 GLN 96 -5.479 -6.275 2.042 749 H GLY 97 H GLY 97 -7.119 -7.963 5.853 750 1HA GLY 97 1HA GLY 97 -5.024 -9.277 6.108 751 2HA GLY 97 2HA GLY 97 -4.996 -9.372 4.356 752 H ALA 98 H ALA 98 -5.962 -6.402 5.889 753 HA ALA 98 HA ALA 98 -3.957 -4.921 4.563 754 1HB ALA 98 1HB ALA 98 -4.730 -3.067 6.143 755 2HB ALA 98 2HB ALA 98 -5.909 -4.238 6.734 756 3HB ALA 98 3HB ALA 98 -5.921 -3.750 5.040 757 H PHE 99 H PHE 99 -2.021 -4.092 5.270 758 HA PHE 99 HA PHE 99 -0.765 -5.483 7.401 759 1HB PHE 99 1HB PHE 99 0.484 -4.791 5.408 760 2HB PHE 99 2HB PHE 99 0.222 -3.100 5.829 761 HD1 PHE 99 HD1 PHE 99 1.424 -6.184 7.551 762 HD2 PHE 99 HD2 PHE 99 2.016 -2.048 6.765 763 HE1 PHE 99 HE1 PHE 99 3.441 -6.211 8.958 764 HE2 PHE 99 HE2 PHE 99 4.038 -2.069 8.157 765 HZ PHE 99 HZ PHE 99 4.753 -4.149 9.263 766 H ASP 100 H ASP 100 -1.567 -2.036 6.934 767 HA ASP 100 HA ASP 100 -2.487 -1.608 9.529 768 1HB ASP 100 1HB ASP 100 -0.618 -0.488 10.609 769 2HB ASP 100 2HB ASP 100 -0.147 -2.122 10.169 770 H TYR 101 H TYR 101 -1.513 1.014 10.004 771 HA TYR 101 HA TYR 101 -2.118 2.514 7.565 772 1HB TYR 101 1HB TYR 101 -3.796 2.385 10.011 773 2HB TYR 101 2HB TYR 101 -3.556 3.981 9.309 774 HD1 TYR 101 HD1 TYR 101 -4.892 0.594 8.653 775 HD2 TYR 101 HD2 TYR 101 -4.643 4.614 7.304 776 HE1 TYR 101 HE1 TYR 101 -6.672 0.157 7.017 777 HE2 TYR 101 HE2 TYR 101 -6.431 4.191 5.685 778 HH TYR 101 HH TYR 101 -7.471 2.341 4.522 779 H LEU 102 H LEU 102 -0.433 3.845 7.340 780 HA LEU 102 HA LEU 102 0.801 4.975 9.756 781 1HB LEU 102 1HB LEU 102 2.829 4.922 8.726 782 2HB LEU 102 2HB LEU 102 2.058 3.615 7.853 783 HG LEU 102 HG LEU 102 1.422 5.761 6.290 784 1HD1 LEU 102 1HD1 LEU 102 2.979 7.369 6.273 785 2HD1 LEU 102 2HD1 LEU 102 4.286 6.275 6.713 786 3HD1 LEU 102 3HD1 LEU 102 3.193 6.893 7.954 787 1HD2 LEU 102 1HD2 LEU 102 2.179 3.799 5.271 788 2HD2 LEU 102 2HD2 LEU 102 3.690 3.800 6.180 789 3HD2 LEU 102 3HD2 LEU 102 3.434 4.984 4.895 790 HA PRO 103 HA PRO 103 -0.854 9.004 9.059 791 1HB PRO 103 1HB PRO 103 1.474 10.468 9.615 792 2HB PRO 103 2HB PRO 103 0.258 9.960 10.786 793 1HG PRO 103 1HG PRO 103 2.872 8.701 10.099 794 2HG PRO 103 2HG PRO 103 2.069 8.843 11.673 795 1HD PRO 103 1HD PRO 103 2.075 6.531 10.337 796 2HD PRO 103 2HD PRO 103 0.638 7.058 11.241 797 H LYS 104 H LYS 104 -0.509 10.987 7.730 798 HA LYS 104 HA LYS 104 -0.197 10.513 5.100 799 1HB LYS 104 1HB LYS 104 -1.027 12.639 6.042 800 2HB LYS 104 2HB LYS 104 0.634 13.112 6.369 801 1HG LYS 104 1HG LYS 104 -0.333 14.090 4.291 802 2HG LYS 104 2HG LYS 104 1.159 13.184 4.046 803 1HD LYS 104 1HD LYS 104 -0.956 11.340 3.739 804 2HD LYS 104 2HD LYS 104 -1.425 12.790 2.853 805 1HE LYS 104 1HE LYS 104 0.301 12.606 1.362 806 2HE LYS 104 2HE LYS 104 1.355 11.795 2.517 807 1HZ LYS 104 1HZ LYS 104 -1.040 10.411 1.506 808 2HZ LYS 104 2HZ LYS 104 0.404 9.759 2.090 809 3HZ LYS 104 3HZ LYS 104 0.360 10.460 0.550 810 HA PRO 105 HA PRO 105 4.618 11.814 5.433 811 1HB PRO 105 1HB PRO 105 5.548 10.092 7.490 812 2HB PRO 105 2HB PRO 105 5.537 11.857 7.512 813 1HG PRO 105 1HG PRO 105 3.585 9.936 8.680 814 2HG PRO 105 2HG PRO 105 4.091 11.530 9.272 815 1HD PRO 105 1HD PRO 105 1.717 11.221 8.128 816 2HD PRO 105 2HD PRO 105 2.689 12.657 7.782 817 H PHE 106 H PHE 106 6.311 10.262 4.674 818 HA PHE 106 HA PHE 106 5.704 7.493 4.513 819 1HB PHE 106 1HB PHE 106 3.957 8.485 3.039 820 2HB PHE 106 2HB PHE 106 5.227 9.098 1.994 821 HD1 PHE 106 HD1 PHE 106 6.567 7.531 0.633 822 HD2 PHE 106 HD2 PHE 106 3.300 6.220 3.035 823 HE1 PHE 106 HE1 PHE 106 6.492 5.427 -0.633 824 HE2 PHE 106 HE2 PHE 106 3.224 4.123 1.770 825 HZ PHE 106 HZ PHE 106 4.817 3.717 -0.063 826 H ASP 107 H ASP 107 6.965 9.073 1.651 827 HA ASP 107 HA ASP 107 8.983 8.771 0.622 828 1HB ASP 107 1HB ASP 107 10.824 9.831 1.750 829 2HB ASP 107 2HB ASP 107 9.358 10.720 2.150 830 H ILE 108 H ILE 108 11.451 7.917 1.337 831 HA ILE 108 HA ILE 108 11.091 5.126 1.522 832 HB ILE 108 HB ILE 108 13.393 6.931 1.262 833 1HG1 ILE 108 1HG1 ILE 108 13.833 5.683 -0.678 834 2HG1 ILE 108 2HG1 ILE 108 12.888 4.311 -0.102 835 1HG2 ILE 108 1HG2 ILE 108 13.868 4.060 2.023 836 2HG2 ILE 108 2HG2 ILE 108 14.121 5.428 3.105 837 3HG2 ILE 108 3HG2 ILE 108 15.082 5.276 1.638 838 1HD1 ILE 108 1HD1 ILE 108 11.790 6.989 -0.894 839 2HD1 ILE 108 2HD1 ILE 108 10.854 5.621 -0.328 840 3HD1 ILE 108 3HD1 ILE 108 11.724 5.522 -1.852 841 H ASP 109 H ASP 109 12.421 7.448 3.777 842 HA ASP 109 HA ASP 109 13.204 5.711 5.754 843 1HB ASP 109 1HB ASP 109 12.137 8.523 5.929 844 2HB ASP 109 2HB ASP 109 12.696 7.648 7.350 845 H GLU 110 H GLU 110 9.999 7.305 5.551 846 HA GLU 110 HA GLU 110 9.009 5.709 7.688 847 1HB GLU 110 1HB GLU 110 7.452 7.550 5.875 848 2HB GLU 110 2HB GLU 110 6.930 6.919 7.428 849 1HG GLU 110 1HG GLU 110 9.472 8.369 7.496 850 2HG GLU 110 2HG GLU 110 8.077 9.340 7.031 851 H ALA 111 H ALA 111 8.826 5.479 4.193 852 HA ALA 111 HA ALA 111 6.708 3.515 4.316 853 1HB ALA 111 1HB ALA 111 7.208 3.283 1.835 854 2HB ALA 111 2HB ALA 111 8.290 4.656 2.049 855 3HB ALA 111 3HB ALA 111 6.567 4.824 2.403 856 H VAL 112 H VAL 112 10.162 3.485 3.394 857 HA VAL 112 HA VAL 112 10.298 0.717 2.997 858 HB VAL 112 HB VAL 112 12.557 2.474 3.933 859 1HG1 VAL 112 1HG1 VAL 112 13.874 0.687 3.726 860 2HG1 VAL 112 2HG1 VAL 112 13.216 0.310 2.134 861 3HG1 VAL 112 3HG1 VAL 112 12.408 -0.288 3.586 862 1HG2 VAL 112 1HG2 VAL 112 12.938 2.178 1.276 863 2HG2 VAL 112 2HG2 VAL 112 12.121 3.557 2.010 864 3HG2 VAL 112 3HG2 VAL 112 11.178 2.227 1.344 865 H ALA 113 H ALA 113 10.510 2.697 5.828 866 HA ALA 113 HA ALA 113 11.564 0.852 7.661 867 1HB ALA 113 1HB ALA 113 11.239 2.535 9.105 868 2HB ALA 113 2HB ALA 113 9.508 2.582 8.765 869 3HB ALA 113 3HB ALA 113 10.628 3.452 7.727 870 H LEU 114 H LEU 114 8.242 1.694 6.841 871 HA LEU 114 HA LEU 114 7.084 -0.353 8.443 872 1HB LEU 114 1HB LEU 114 6.125 1.920 7.846 873 2HB LEU 114 2HB LEU 114 5.752 1.243 6.276 874 HG LEU 114 HG LEU 114 4.193 -0.313 7.242 875 1HD1 LEU 114 1HD1 LEU 114 3.717 -0.061 9.747 876 2HD1 LEU 114 2HD1 LEU 114 5.326 0.656 9.841 877 3HD1 LEU 114 3HD1 LEU 114 5.131 -0.998 9.266 878 1HD2 LEU 114 1HD2 LEU 114 4.012 2.568 7.765 879 2HD2 LEU 114 2HD2 LEU 114 2.896 1.577 8.703 880 3HD2 LEU 114 3HD2 LEU 114 2.886 1.492 6.946 881 H VAL 115 H VAL 115 8.245 -0.234 5.181 882 HA VAL 115 HA VAL 115 6.557 -2.374 4.275 883 HB VAL 115 HB VAL 115 7.527 -0.596 2.741 884 1HG1 VAL 115 1HG1 VAL 115 9.701 -0.836 1.870 885 2HG1 VAL 115 2HG1 VAL 115 9.918 -2.412 2.631 886 3HG1 VAL 115 3HG1 VAL 115 9.884 -0.954 3.615 887 1HG2 VAL 115 1HG2 VAL 115 8.017 -2.431 0.940 888 2HG2 VAL 115 2HG2 VAL 115 6.398 -2.257 1.619 889 3HG2 VAL 115 3HG2 VAL 115 7.470 -3.528 2.208 890 H GLU 116 H GLU 116 10.041 -2.149 5.027 891 HA GLU 116 HA GLU 116 10.586 -4.860 4.527 892 1HB GLU 116 1HB GLU 116 11.978 -2.813 6.245 893 2HB GLU 116 2HB GLU 116 12.595 -4.446 6.028 894 1HG GLU 116 1HG GLU 116 12.418 -3.917 3.502 895 2HG GLU 116 2HG GLU 116 12.362 -2.237 4.034 896 H ARG 117 H ARG 117 9.656 -3.165 7.484 897 HA ARG 117 HA ARG 117 9.885 -5.367 9.218 898 1HB ARG 117 1HB ARG 117 8.204 -2.866 9.353 899 2HB ARG 117 2HB ARG 117 8.275 -4.044 10.658 900 1HG ARG 117 1HG ARG 117 10.619 -3.647 10.970 901 2HG ARG 117 2HG ARG 117 10.674 -2.608 9.545 902 1HD ARG 117 1HD ARG 117 8.849 -1.247 10.825 903 2HD ARG 117 2HD ARG 117 9.496 -2.080 12.237 904 HE ARG 117 HE ARG 117 11.391 -0.695 10.509 905 1HH1 ARG 117 1HH1 ARG 117 9.559 -0.708 13.485 906 2HH1 ARG 117 2HH1 ARG 117 10.550 0.495 14.239 907 1HH2 ARG 117 1HH2 ARG 117 12.689 0.882 11.504 908 2HH2 ARG 117 2HH2 ARG 117 12.324 1.398 13.117 909 H ALA 118 H ALA 118 7.538 -4.496 6.865 910 HA ALA 118 HA ALA 118 5.368 -6.016 7.895 911 1HB ALA 118 1HB ALA 118 4.818 -4.250 6.416 912 2HB ALA 118 2HB ALA 118 4.459 -5.744 5.554 913 3HB ALA 118 3HB ALA 118 5.927 -4.845 5.184 914 H ILE 119 H ILE 119 7.563 -6.539 5.143 915 HA ILE 119 HA ILE 119 6.693 -9.160 4.596 916 HB ILE 119 HB ILE 119 9.405 -8.010 3.955 917 1HG1 ILE 119 1HG1 ILE 119 7.242 -7.903 1.935 918 2HG1 ILE 119 2HG1 ILE 119 7.093 -6.774 3.278 919 1HG2 ILE 119 1HG2 ILE 119 9.381 -10.314 3.455 920 2HG2 ILE 119 2HG2 ILE 119 9.108 -9.488 1.921 921 3HG2 ILE 119 3HG2 ILE 119 7.755 -10.229 2.776 922 1HD1 ILE 119 1HD1 ILE 119 8.252 -5.831 1.322 923 2HD1 ILE 119 2HD1 ILE 119 9.522 -7.039 1.529 924 3HD1 ILE 119 3HD1 ILE 119 9.241 -5.830 2.783 925 H SER 120 H SER 120 9.094 -7.859 6.741 926 HA SER 120 HA SER 120 10.506 -10.250 7.262 927 1HB SER 120 1HB SER 120 11.085 -7.748 7.834 928 2HB SER 120 2HB SER 120 10.249 -8.112 9.343 929 HG SER 120 HG SER 120 12.525 -9.414 8.266 930 H HIS 121 H HIS 121 7.709 -8.728 8.788 931 HA HIS 121 HA HIS 121 7.521 -10.545 10.955 932 1HB HIS 121 1HB HIS 121 5.733 -8.490 9.737 933 2HB HIS 121 2HB HIS 121 5.022 -9.666 10.838 934 HD1 HIS 121 HD1 HIS 121 8.184 -7.536 10.954 935 HD2 HIS 121 HD2 HIS 121 4.930 -8.602 13.307 936 HE1 HIS 121 HE1 HIS 121 8.521 -6.348 13.143 937 HE2 HIS 121 HE2 HIS 121 6.495 -6.938 14.520 938 H TYR 122 H TYR 122 6.535 -10.684 7.656 939 HA TYR 122 HA TYR 122 4.541 -12.686 7.946 940 1HB TYR 122 1HB TYR 122 5.962 -11.389 5.688 941 2HB TYR 122 2HB TYR 122 5.270 -12.977 5.374 942 HD1 TYR 122 HD1 TYR 122 2.784 -13.007 6.801 943 HD2 TYR 122 HD2 TYR 122 4.616 -9.775 4.729 944 HE1 TYR 122 HE1 TYR 122 0.577 -11.971 6.479 945 HE2 TYR 122 HE2 TYR 122 2.416 -8.729 4.401 946 HH TYR 122 HH TYR 122 -0.350 -10.158 4.549 947 H GLN 123 H GLN 123 7.951 -12.768 6.961 948 HA GLN 123 HA GLN 123 7.989 -15.611 6.749 949 1HB GLN 123 1HB GLN 123 10.481 -15.294 6.553 950 2HB GLN 123 2HB GLN 123 9.512 -14.480 5.336 951 1HG GLN 123 1HG GLN 123 9.700 -12.427 6.886 952 2HG GLN 123 2HG GLN 123 11.023 -13.315 7.636 953 1HE2 GLN 123 1HE2 GLN 123 9.999 -11.463 4.948 954 2HE2 GLN 123 2HE2 GLN 123 11.501 -11.457 4.092 955 H GLU 124 H GLU 124 9.520 -13.341 8.952 956 HA GLU 124 HA GLU 124 10.172 -15.461 10.815 957 1HB GLU 124 1HB GLU 124 10.610 -12.475 11.006 958 2HB GLU 124 2HB GLU 124 11.244 -13.671 12.128 959 1HG GLU 124 1HG GLU 124 12.010 -14.426 9.501 960 2HG GLU 124 2HG GLU 124 12.388 -12.718 9.723 Start of MODEL 19 1 1H MET 1 1H MET 1 8.938 -18.516 -4.368 2 2H MET 1 2H MET 1 7.766 -18.374 -3.122 3 3H MET 1 3H MET 1 9.249 -19.185 -2.819 4 HA MET 1 HA MET 1 8.817 -16.735 -2.090 5 1HB MET 1 1HB MET 1 11.234 -18.213 -3.020 6 2HB MET 1 2HB MET 1 11.418 -16.508 -2.633 7 1HG MET 1 1HG MET 1 11.500 -16.962 -0.476 8 2HG MET 1 2HG MET 1 9.939 -17.775 -0.550 9 1HE MET 1 1HE MET 1 10.430 -19.453 1.296 10 2HE MET 1 2HE MET 1 12.013 -18.739 1.611 11 3HE MET 1 3HE MET 1 11.860 -20.482 1.392 12 H GLN 2 H GLN 2 8.019 -15.004 -3.115 13 HA GLN 2 HA GLN 2 8.348 -14.514 -5.888 14 1HB GLN 2 1HB GLN 2 7.019 -13.228 -3.619 15 2HB GLN 2 2HB GLN 2 7.646 -12.080 -4.794 16 1HG GLN 2 1HG GLN 2 5.735 -12.403 -5.879 17 2HG GLN 2 2HG GLN 2 6.435 -13.939 -6.390 18 1HE2 GLN 2 1HE2 GLN 2 5.881 -15.836 -5.224 19 2HE2 GLN 2 2HE2 GLN 2 4.404 -15.924 -4.332 20 H ARG 3 H ARG 3 9.377 -12.567 -6.810 21 HA ARG 3 HA ARG 3 12.072 -12.348 -5.903 22 1HB ARG 3 1HB ARG 3 12.284 -10.711 -7.804 23 2HB ARG 3 2HB ARG 3 11.738 -12.320 -8.256 24 1HG ARG 3 1HG ARG 3 9.548 -10.494 -7.649 25 2HG ARG 3 2HG ARG 3 10.560 -9.953 -8.988 26 1HD ARG 3 1HD ARG 3 9.486 -11.378 -10.315 27 2HD ARG 3 2HD ARG 3 10.161 -12.707 -9.374 28 HE ARG 3 HE ARG 3 7.850 -11.624 -8.122 29 1HH1 ARG 3 1HH1 ARG 3 8.868 -13.693 -10.740 30 2HH1 ARG 3 2HH1 ARG 3 7.414 -14.633 -10.731 31 1HH2 ARG 3 1HH2 ARG 3 5.932 -12.857 -8.107 32 2HH2 ARG 3 2HH2 ARG 3 5.745 -14.158 -9.235 33 H GLY 4 H GLY 4 9.362 -10.927 -4.734 34 1HA GLY 4 1HA GLY 4 9.262 -9.268 -3.097 35 2HA GLY 4 2HA GLY 4 10.896 -8.780 -3.526 36 H ILE 5 H ILE 5 7.514 -8.382 -4.182 37 HA ILE 5 HA ILE 5 8.168 -6.102 -5.935 38 HB ILE 5 HB ILE 5 5.586 -7.648 -6.069 39 1HG1 ILE 5 1HG1 ILE 5 6.978 -8.251 -8.382 40 2HG1 ILE 5 2HG1 ILE 5 8.220 -8.351 -7.136 41 1HG2 ILE 5 1HG2 ILE 5 5.002 -6.284 -7.764 42 2HG2 ILE 5 2HG2 ILE 5 6.649 -6.171 -8.383 43 3HG2 ILE 5 3HG2 ILE 5 6.157 -5.191 -7.003 44 1HD1 ILE 5 1HD1 ILE 5 7.471 -10.333 -6.511 45 2HD1 ILE 5 2HD1 ILE 5 6.297 -10.273 -7.826 46 3HD1 ILE 5 3HD1 ILE 5 5.860 -9.675 -6.226 47 H VAL 6 H VAL 6 7.807 -4.258 -4.888 48 HA VAL 6 HA VAL 6 5.587 -4.137 -2.960 49 HB VAL 6 HB VAL 6 7.844 -3.493 -2.089 50 1HG1 VAL 6 1HG1 VAL 6 7.563 -1.230 -4.058 51 2HG1 VAL 6 2HG1 VAL 6 8.780 -2.504 -4.095 52 3HG1 VAL 6 3HG1 VAL 6 8.772 -1.326 -2.786 53 1HG2 VAL 6 1HG2 VAL 6 6.315 -0.966 -2.046 54 2HG2 VAL 6 2HG2 VAL 6 6.919 -1.949 -0.716 55 3HG2 VAL 6 3HG2 VAL 6 5.440 -2.417 -1.554 56 H TRP 7 H TRP 7 3.865 -2.866 -3.363 57 HA TRP 7 HA TRP 7 4.055 -1.062 -5.682 58 1HB TRP 7 1HB TRP 7 1.862 -2.921 -4.816 59 2HB TRP 7 2HB TRP 7 1.498 -1.514 -5.813 60 HD1 TRP 7 HD1 TRP 7 4.830 -2.966 -6.643 61 HE1 TRP 7 HE1 TRP 7 4.715 -4.288 -8.832 62 HE3 TRP 7 HE3 TRP 7 -0.242 -3.189 -7.168 63 HZ2 TRP 7 HZ2 TRP 7 2.733 -5.313 -10.554 64 HZ3 TRP 7 HZ3 TRP 7 -1.170 -4.363 -9.124 65 HH2 TRP 7 HH2 TRP 7 0.293 -5.404 -10.781 66 H VAL 8 H VAL 8 3.384 1.002 -5.466 67 HA VAL 8 HA VAL 8 2.185 1.772 -2.884 68 HB VAL 8 HB VAL 8 3.898 3.785 -4.200 69 1HG1 VAL 8 1HG1 VAL 8 3.570 2.846 -1.353 70 2HG1 VAL 8 2HG1 VAL 8 2.838 4.267 -2.093 71 3HG1 VAL 8 3HG1 VAL 8 4.584 4.195 -1.862 72 1HG2 VAL 8 1HG2 VAL 8 5.664 2.447 -4.494 73 2HG2 VAL 8 2HG2 VAL 8 4.957 1.139 -3.543 74 3HG2 VAL 8 3HG2 VAL 8 5.800 2.460 -2.735 75 H VAL 9 H VAL 9 0.567 3.249 -2.920 76 HA VAL 9 HA VAL 9 -0.069 4.494 -5.508 77 HB VAL 9 HB VAL 9 -2.420 4.026 -3.816 78 1HG1 VAL 9 1HG1 VAL 9 -3.070 3.017 -6.203 79 2HG1 VAL 9 2HG1 VAL 9 -1.622 3.913 -6.662 80 3HG1 VAL 9 3HG1 VAL 9 -2.954 4.757 -5.914 81 1HG2 VAL 9 1HG2 VAL 9 -0.896 1.676 -4.940 82 2HG2 VAL 9 2HG2 VAL 9 -2.605 1.620 -4.507 83 3HG2 VAL 9 3HG2 VAL 9 -1.397 1.930 -3.272 84 H ASP 10 H ASP 10 0.116 6.615 -5.364 85 HA ASP 10 HA ASP 10 -1.207 8.216 -3.435 86 1HB ASP 10 1HB ASP 10 0.902 7.255 -2.237 87 2HB ASP 10 2HB ASP 10 1.761 8.471 -3.168 88 H ASP 11 H ASP 11 0.838 10.343 -3.614 89 HA ASP 11 HA ASP 11 -0.116 11.600 -5.939 90 1HB ASP 11 1HB ASP 11 0.974 12.530 -3.694 91 2HB ASP 11 2HB ASP 11 2.420 12.548 -4.700 92 H ASP 12 H ASP 12 2.125 9.162 -5.758 93 HA ASP 12 HA ASP 12 3.705 8.335 -7.166 94 1HB ASP 12 1HB ASP 12 1.560 8.884 -8.629 95 2HB ASP 12 2HB ASP 12 2.661 10.024 -9.394 96 H SER 13 H SER 13 4.545 10.017 -9.625 97 HA SER 13 HA SER 13 6.527 11.040 -10.084 98 1HB SER 13 1HB SER 13 4.578 12.688 -9.908 99 2HB SER 13 2HB SER 13 5.383 13.273 -8.456 100 HG SER 13 HG SER 13 6.315 13.287 -11.122 101 H SER 14 H SER 14 6.294 12.883 -7.125 102 HA SER 14 HA SER 14 8.989 12.523 -6.474 103 1HB SER 14 1HB SER 14 7.195 14.283 -5.659 104 2HB SER 14 2HB SER 14 7.012 13.150 -4.321 105 HG SER 14 HG SER 14 9.116 13.463 -3.765 106 H ILE 15 H ILE 15 6.090 11.034 -5.050 107 HA ILE 15 HA ILE 15 7.444 9.422 -3.193 108 HB ILE 15 HB ILE 15 4.810 8.739 -4.485 109 1HG1 ILE 15 1HG1 ILE 15 4.868 11.098 -3.634 110 2HG1 ILE 15 2HG1 ILE 15 3.698 10.072 -2.815 111 1HG2 ILE 15 1HG2 ILE 15 5.731 8.163 -1.681 112 2HG2 ILE 15 2HG2 ILE 15 5.995 7.053 -3.026 113 3HG2 ILE 15 3HG2 ILE 15 4.353 7.477 -2.544 114 1HD1 ILE 15 1HD1 ILE 15 5.016 9.936 -0.881 115 2HD1 ILE 15 2HD1 ILE 15 5.063 11.629 -1.371 116 3HD1 ILE 15 3HD1 ILE 15 6.437 10.574 -1.706 117 H ARG 16 H ARG 16 6.674 8.971 -6.549 118 HA ARG 16 HA ARG 16 7.204 6.187 -6.670 119 1HB ARG 16 1HB ARG 16 5.821 7.281 -8.339 120 2HB ARG 16 2HB ARG 16 7.174 8.282 -8.845 121 1HG ARG 16 1HG ARG 16 8.354 6.336 -9.665 122 2HG ARG 16 2HG ARG 16 7.072 5.281 -9.072 123 1HD ARG 16 1HD ARG 16 5.681 5.785 -10.780 124 2HD ARG 16 2HD ARG 16 6.229 7.458 -10.874 125 HE ARG 16 HE ARG 16 8.342 6.259 -11.858 126 1HH1 ARG 16 1HH1 ARG 16 4.978 5.540 -12.481 127 2HH1 ARG 16 2HH1 ARG 16 5.277 4.961 -14.083 128 1HH2 ARG 16 1HH2 ARG 16 8.723 5.504 -13.964 129 2HH2 ARG 16 2HH2 ARG 16 7.398 4.942 -14.925 130 H TRP 17 H TRP 17 9.110 8.923 -7.943 131 HA TRP 17 HA TRP 17 11.326 7.587 -8.803 132 1HB TRP 17 1HB TRP 17 10.946 10.014 -9.083 133 2HB TRP 17 2HB TRP 17 11.366 10.256 -7.389 134 HD1 TRP 17 HD1 TRP 17 13.001 9.020 -10.675 135 HE1 TRP 17 HE1 TRP 17 15.528 9.484 -10.533 136 HE3 TRP 17 HE3 TRP 17 13.246 10.768 -5.871 137 HZ2 TRP 17 HZ2 TRP 17 17.381 10.456 -8.640 138 HZ3 TRP 17 HZ3 TRP 17 15.437 11.438 -4.971 139 HH2 TRP 17 HH2 TRP 17 17.460 11.285 -6.328 140 H VAL 18 H VAL 18 10.749 8.698 -5.486 141 HA VAL 18 HA VAL 18 13.270 7.891 -4.519 142 HB VAL 18 HB VAL 18 10.928 7.949 -2.678 143 1HG1 VAL 18 1HG1 VAL 18 13.603 9.248 -2.310 144 2HG1 VAL 18 2HG1 VAL 18 13.387 7.515 -2.061 145 3HG1 VAL 18 3HG1 VAL 18 12.471 8.666 -1.089 146 1HG2 VAL 18 1HG2 VAL 18 10.296 10.001 -3.260 147 2HG2 VAL 18 2HG2 VAL 18 11.566 10.092 -4.482 148 3HG2 VAL 18 3HG2 VAL 18 11.902 10.584 -2.824 149 H LEU 19 H LEU 19 10.119 6.433 -3.900 150 HA LEU 19 HA LEU 19 11.180 4.109 -2.734 151 1HB LEU 19 1HB LEU 19 8.465 4.788 -3.802 152 2HB LEU 19 2HB LEU 19 8.823 3.201 -3.155 153 HG LEU 19 HG LEU 19 9.290 5.685 -1.545 154 1HD1 LEU 19 1HD1 LEU 19 6.813 3.999 -1.420 155 2HD1 LEU 19 2HD1 LEU 19 6.910 5.455 -2.409 156 3HD1 LEU 19 3HD1 LEU 19 7.122 5.561 -0.663 157 1HD2 LEU 19 1HD2 LEU 19 8.713 2.848 -0.703 158 2HD2 LEU 19 2HD2 LEU 19 9.254 4.187 0.309 159 3HD2 LEU 19 3HD2 LEU 19 10.341 3.500 -0.896 160 H GLU 20 H GLU 20 10.584 4.887 -6.063 161 HA GLU 20 HA GLU 20 10.393 2.237 -7.002 162 1HB GLU 20 1HB GLU 20 10.655 3.079 -9.195 163 2HB GLU 20 2HB GLU 20 9.715 4.256 -8.306 164 1HG GLU 20 1HG GLU 20 11.620 5.704 -8.134 165 2HG GLU 20 2HG GLU 20 12.652 4.485 -8.869 166 H ARG 21 H ARG 21 13.160 4.452 -7.168 167 HA ARG 21 HA ARG 21 14.938 2.365 -7.935 168 1HB ARG 21 1HB ARG 21 15.539 5.168 -6.992 169 2HB ARG 21 2HB ARG 21 16.707 4.072 -7.717 170 1HG ARG 21 1HG ARG 21 14.353 4.376 -9.370 171 2HG ARG 21 2HG ARG 21 15.125 5.925 -9.032 172 1HD ARG 21 1HD ARG 21 17.056 5.347 -10.129 173 2HD ARG 21 2HD ARG 21 16.827 3.621 -9.850 174 HE ARG 21 HE ARG 21 14.780 4.345 -11.521 175 1HH1 ARG 21 1HH1 ARG 21 18.264 4.532 -11.652 176 2HH1 ARG 21 2HH1 ARG 21 18.331 4.402 -13.377 177 1HH2 ARG 21 1HH2 ARG 21 14.867 4.174 -13.794 178 2HH2 ARG 21 2HH2 ARG 21 16.404 4.200 -14.594 179 H ALA 22 H ALA 22 14.886 4.379 -4.978 180 HA ALA 22 HA ALA 22 16.815 3.108 -3.540 181 1HB ALA 22 1HB ALA 22 14.256 4.006 -2.261 182 2HB ALA 22 2HB ALA 22 15.479 5.129 -2.856 183 3HB ALA 22 3HB ALA 22 15.878 3.993 -1.567 184 H LEU 23 H LEU 23 13.405 2.185 -3.541 185 HA LEU 23 HA LEU 23 13.724 -0.027 -1.843 186 1HB LEU 23 1HB LEU 23 11.553 1.120 -2.500 187 2HB LEU 23 2HB LEU 23 11.627 0.192 -3.984 188 HG LEU 23 HG LEU 23 10.187 -0.657 -1.985 189 1HD1 LEU 23 1HD1 LEU 23 12.015 -2.672 -3.249 190 2HD1 LEU 23 2HD1 LEU 23 10.802 -1.804 -4.186 191 3HD1 LEU 23 3HD1 LEU 23 10.305 -2.830 -2.838 192 1HD2 LEU 23 1HD2 LEU 23 11.368 -2.195 -0.508 193 2HD2 LEU 23 2HD2 LEU 23 11.950 -0.542 -0.300 194 3HD2 LEU 23 3HD2 LEU 23 12.907 -1.705 -1.218 195 H ALA 24 H ALA 24 14.141 0.363 -5.271 196 HA ALA 24 HA ALA 24 14.207 -2.381 -5.942 197 1HB ALA 24 1HB ALA 24 15.877 -0.444 -7.463 198 2HB ALA 24 2HB ALA 24 14.130 -0.208 -7.448 199 3HB ALA 24 3HB ALA 24 14.809 -1.719 -8.050 200 H GLY 25 H GLY 25 16.584 -0.110 -4.720 201 1HA GLY 25 1HA GLY 25 18.888 -1.699 -5.130 202 2HA GLY 25 2HA GLY 25 18.723 -0.425 -3.929 203 H ALA 26 H ALA 26 16.317 -1.856 -2.815 204 HA ALA 26 HA ALA 26 17.734 -3.420 -0.891 205 1HB ALA 26 1HB ALA 26 15.945 -2.117 -0.060 206 2HB ALA 26 2HB ALA 26 15.422 -3.798 0.047 207 3HB ALA 26 3HB ALA 26 14.824 -2.769 -1.255 208 H GLY 27 H GLY 27 16.255 -4.084 -3.887 209 1HA GLY 27 1HA GLY 27 16.693 -6.243 -4.876 210 2HA GLY 27 2HA GLY 27 16.436 -6.964 -3.298 211 H LEU 28 H LEU 28 14.115 -4.535 -4.089 212 HA LEU 28 HA LEU 28 12.310 -6.619 -5.053 213 1HB LEU 28 1HB LEU 28 11.117 -4.492 -3.401 214 2HB LEU 28 2HB LEU 28 10.685 -6.179 -3.535 215 HG LEU 28 HG LEU 28 13.025 -6.458 -2.276 216 1HD1 LEU 28 1HD1 LEU 28 13.703 -4.259 -1.997 217 2HD1 LEU 28 2HD1 LEU 28 12.961 -4.659 -0.445 218 3HD1 LEU 28 3HD1 LEU 28 12.070 -3.705 -1.627 219 1HD2 LEU 28 1HD2 LEU 28 10.336 -6.734 -1.647 220 2HD2 LEU 28 2HD2 LEU 28 10.990 -5.761 -0.330 221 3HD2 LEU 28 3HD2 LEU 28 11.702 -7.330 -0.704 222 H THR 29 H THR 29 10.187 -5.576 -5.916 223 HA THR 29 HA THR 29 11.017 -3.428 -7.744 224 HB THR 29 HB THR 29 8.848 -5.517 -7.973 225 HG1 THR 29 HG1 THR 29 10.948 -6.260 -8.402 226 1HG2 THR 29 1HG2 THR 29 9.014 -4.554 -10.458 227 2HG2 THR 29 2HG2 THR 29 9.303 -3.070 -9.550 228 3HG2 THR 29 3HG2 THR 29 7.828 -3.995 -9.279 229 H CYS 30 H CYS 30 10.336 -1.459 -7.199 230 HA CYS 30 HA CYS 30 7.753 -1.215 -5.824 231 1HB CYS 30 1HB CYS 30 9.737 -0.338 -4.613 232 2HB CYS 30 2HB CYS 30 9.962 0.828 -5.912 233 HG CYS 30 HG CYS 30 8.203 2.236 -4.948 234 H THR 31 H THR 31 6.133 -0.671 -7.032 235 HA THR 31 HA THR 31 6.574 1.257 -9.211 236 HB THR 31 HB THR 31 5.865 -1.167 -9.839 237 HG1 THR 31 HG1 THR 31 5.599 0.922 -11.085 238 1HG2 THR 31 1HG2 THR 31 3.913 -1.988 -9.218 239 2HG2 THR 31 2HG2 THR 31 3.074 -0.516 -9.691 240 3HG2 THR 31 3HG2 THR 31 3.772 -0.652 -8.077 241 H THR 32 H THR 32 4.815 2.800 -9.528 242 HA THR 32 HA THR 32 3.132 3.058 -7.143 243 HB THR 32 HB THR 32 3.480 5.456 -7.152 244 HG1 THR 32 HG1 THR 32 4.140 5.173 -9.627 245 1HG2 THR 32 1HG2 THR 32 6.277 4.611 -7.428 246 2HG2 THR 32 2HG2 THR 32 5.304 3.666 -6.300 247 3HG2 THR 32 3HG2 THR 32 5.453 5.413 -6.090 248 H PHE 33 H PHE 33 1.221 4.360 -7.387 249 HA PHE 33 HA PHE 33 0.221 4.540 -10.126 250 1HB PHE 33 1HB PHE 33 -1.380 3.343 -7.874 251 2HB PHE 33 2HB PHE 33 -1.884 3.517 -9.541 252 HD1 PHE 33 HD1 PHE 33 0.901 2.004 -7.570 253 HD2 PHE 33 HD2 PHE 33 -1.761 1.661 -10.871 254 HE1 PHE 33 HE1 PHE 33 1.783 -0.242 -8.046 255 HE2 PHE 33 HE2 PHE 33 -0.886 -0.582 -11.354 256 HZ PHE 33 HZ PHE 33 0.879 -1.546 -9.941 257 H GLU 34 H GLU 34 -2.034 5.674 -10.071 258 HA GLU 34 HA GLU 34 -1.586 8.301 -9.321 259 1HB GLU 34 1HB GLU 34 -4.047 8.573 -9.862 260 2HB GLU 34 2HB GLU 34 -3.026 7.873 -11.111 261 1HG GLU 34 1HG GLU 34 -4.359 6.124 -11.233 262 2HG GLU 34 2HG GLU 34 -4.008 5.744 -9.551 263 H ASN 35 H ASN 35 -3.956 6.061 -7.726 264 HA ASN 35 HA ASN 35 -3.474 7.432 -5.251 265 1HB ASN 35 1HB ASN 35 -5.841 8.091 -4.891 266 2HB ASN 35 2HB ASN 35 -5.055 8.978 -6.193 267 1HD2 ASN 35 1HD2 ASN 35 -6.456 9.353 -7.736 268 2HD2 ASN 35 2HD2 ASN 35 -7.608 8.228 -8.363 269 H GLY 36 H GLY 36 -5.200 4.962 -6.992 270 1HA GLY 36 1HA GLY 36 -4.735 2.953 -5.174 271 2HA GLY 36 2HA GLY 36 -6.235 3.696 -4.656 272 H ASN 37 H ASN 37 -7.582 4.204 -6.923 273 HA ASN 37 HA ASN 37 -8.662 1.734 -7.586 274 1HB ASN 37 1HB ASN 37 -9.179 4.441 -8.232 275 2HB ASN 37 2HB ASN 37 -9.139 3.541 -9.744 276 1HD2 ASN 37 1HD2 ASN 37 -10.166 2.504 -6.525 277 2HD2 ASN 37 2HD2 ASN 37 -11.792 2.124 -6.968 278 H GLU 38 H GLU 38 -6.005 3.470 -9.004 279 HA GLU 38 HA GLU 38 -5.881 2.093 -11.449 280 1HB GLU 38 1HB GLU 38 -4.403 4.086 -10.205 281 2HB GLU 38 2HB GLU 38 -3.263 2.766 -10.399 282 1HG GLU 38 1HG GLU 38 -4.407 2.791 -12.842 283 2HG GLU 38 2HG GLU 38 -4.515 4.497 -12.413 284 H VAL 39 H VAL 39 -4.072 1.481 -8.377 285 HA VAL 39 HA VAL 39 -2.730 -0.795 -9.258 286 HB VAL 39 HB VAL 39 -3.842 -0.613 -6.474 287 1HG1 VAL 39 1HG1 VAL 39 -1.100 -1.406 -6.691 288 2HG1 VAL 39 2HG1 VAL 39 -2.084 -2.376 -7.788 289 3HG1 VAL 39 3HG1 VAL 39 -2.476 -2.317 -6.070 290 1HG2 VAL 39 1HG2 VAL 39 -2.232 1.332 -7.794 291 2HG2 VAL 39 2HG2 VAL 39 -1.270 0.540 -6.546 292 3HG2 VAL 39 3HG2 VAL 39 -2.805 1.300 -6.136 293 H LEU 40 H LEU 40 -6.037 -0.499 -8.054 294 HA LEU 40 HA LEU 40 -6.650 -3.183 -7.689 295 1HB LEU 40 1HB LEU 40 -8.574 -1.218 -8.911 296 2HB LEU 40 2HB LEU 40 -8.942 -2.604 -7.902 297 HG LEU 40 HG LEU 40 -7.680 -0.006 -7.030 298 1HD1 LEU 40 1HD1 LEU 40 -10.376 -1.155 -6.978 299 2HD1 LEU 40 2HD1 LEU 40 -9.854 0.523 -6.891 300 3HD1 LEU 40 3HD1 LEU 40 -9.833 -0.477 -5.444 301 1HD2 LEU 40 1HD2 LEU 40 -8.235 -1.408 -4.750 302 2HD2 LEU 40 2HD2 LEU 40 -6.635 -1.241 -5.475 303 3HD2 LEU 40 3HD2 LEU 40 -7.615 -2.666 -5.815 304 H ALA 41 H ALA 41 -6.723 -1.237 -10.637 305 HA ALA 41 HA ALA 41 -7.736 -3.280 -12.319 306 1HB ALA 41 1HB ALA 41 -7.802 -0.823 -12.795 307 2HB ALA 41 2HB ALA 41 -7.236 -1.820 -14.137 308 3HB ALA 41 3HB ALA 41 -6.077 -0.918 -13.156 309 H ALA 42 H ALA 42 -4.506 -2.056 -11.710 310 HA ALA 42 HA ALA 42 -3.144 -3.776 -13.478 311 1HB ALA 42 1HB ALA 42 -1.411 -2.510 -12.907 312 2HB ALA 42 2HB ALA 42 -1.497 -3.051 -11.231 313 3HB ALA 42 3HB ALA 42 -2.459 -1.673 -11.765 314 H LEU 43 H LEU 43 -4.119 -4.099 -10.124 315 HA LEU 43 HA LEU 43 -2.582 -6.379 -9.513 316 1HB LEU 43 1HB LEU 43 -4.969 -5.067 -8.310 317 2HB LEU 43 2HB LEU 43 -4.523 -6.676 -7.774 318 HG LEU 43 HG LEU 43 -2.602 -4.361 -7.735 319 1HD1 LEU 43 1HD1 LEU 43 -4.306 -5.415 -5.481 320 2HD1 LEU 43 2HD1 LEU 43 -4.552 -3.877 -6.307 321 3HD1 LEU 43 3HD1 LEU 43 -3.084 -4.149 -5.366 322 1HD2 LEU 43 1HD2 LEU 43 -1.869 -6.128 -5.813 323 2HD2 LEU 43 2HD2 LEU 43 -1.221 -6.106 -7.453 324 3HD2 LEU 43 3HD2 LEU 43 -2.535 -7.207 -7.040 325 H ALA 44 H ALA 44 -5.542 -5.984 -11.242 326 HA ALA 44 HA ALA 44 -6.734 -8.469 -10.893 327 1HB ALA 44 1HB ALA 44 -7.370 -7.906 -13.471 328 2HB ALA 44 2HB ALA 44 -6.897 -6.317 -12.872 329 3HB ALA 44 3HB ALA 44 -8.178 -7.216 -12.064 330 H SER 45 H SER 45 -3.821 -7.710 -12.531 331 HA SER 45 HA SER 45 -3.787 -10.388 -13.693 332 1HB SER 45 1HB SER 45 -3.322 -7.845 -14.943 333 2HB SER 45 2HB SER 45 -1.866 -8.835 -15.047 334 HG SER 45 HG SER 45 -3.225 -10.515 -15.902 335 H LYS 46 H LYS 46 -2.392 -8.401 -11.378 336 HA LYS 46 HA LYS 46 -0.256 -10.301 -10.982 337 1HB LYS 46 1HB LYS 46 0.344 -8.021 -12.357 338 2HB LYS 46 2HB LYS 46 0.689 -7.540 -10.702 339 1HG LYS 46 1HG LYS 46 1.828 -10.087 -11.049 340 2HG LYS 46 2HG LYS 46 2.249 -9.139 -12.477 341 1HD LYS 46 1HD LYS 46 2.708 -7.315 -10.547 342 2HD LYS 46 2HD LYS 46 3.063 -8.799 -9.660 343 1HE LYS 46 1HE LYS 46 5.044 -8.937 -10.650 344 2HE LYS 46 2HE LYS 46 4.267 -8.988 -12.231 345 1HZ LYS 46 1HZ LYS 46 5.170 -7.021 -12.628 346 2HZ LYS 46 2HZ LYS 46 5.752 -6.891 -11.046 347 3HZ LYS 46 3HZ LYS 46 4.197 -6.346 -11.420 348 H THR 47 H THR 47 0.749 -10.133 -8.881 349 HA THR 47 HA THR 47 -0.679 -8.509 -6.943 350 HB THR 47 HB THR 47 -0.312 -11.496 -6.758 351 HG1 THR 47 HG1 THR 47 -2.151 -10.552 -7.936 352 1HG2 THR 47 1HG2 THR 47 -1.361 -11.449 -4.607 353 2HG2 THR 47 2HG2 THR 47 -1.515 -9.694 -4.673 354 3HG2 THR 47 3HG2 THR 47 0.082 -10.435 -4.564 355 HA PRO 48 HA PRO 48 3.680 -8.128 -5.794 356 1HB PRO 48 1HB PRO 48 3.413 -5.969 -4.208 357 2HB PRO 48 2HB PRO 48 3.378 -5.838 -5.971 358 1HG PRO 48 1HG PRO 48 1.106 -5.863 -4.024 359 2HG PRO 48 2HG PRO 48 1.342 -4.846 -5.457 360 1HD PRO 48 1HD PRO 48 -0.257 -7.061 -5.420 361 2HD PRO 48 2HD PRO 48 0.548 -6.452 -6.879 362 H ASP 49 H ASP 49 4.843 -8.188 -3.697 363 HA ASP 49 HA ASP 49 3.571 -10.012 -1.894 364 1HB ASP 49 1HB ASP 49 6.253 -8.627 -1.890 365 2HB ASP 49 2HB ASP 49 5.736 -9.664 -0.564 366 H VAL 50 H VAL 50 4.014 -6.593 -2.047 367 HA VAL 50 HA VAL 50 2.444 -6.262 0.385 368 HB VAL 50 HB VAL 50 4.729 -6.105 1.199 369 1HG1 VAL 50 1HG1 VAL 50 6.432 -5.089 0.153 370 2HG1 VAL 50 2HG1 VAL 50 5.442 -3.721 -0.341 371 3HG1 VAL 50 3HG1 VAL 50 5.391 -5.220 -1.265 372 1HG2 VAL 50 1HG2 VAL 50 4.244 -3.233 1.196 373 2HG2 VAL 50 2HG2 VAL 50 4.271 -4.380 2.535 374 3HG2 VAL 50 3HG2 VAL 50 2.807 -4.178 1.582 375 H LEU 51 H LEU 51 1.579 -3.976 0.515 376 HA LEU 51 HA LEU 51 1.752 -2.435 -1.938 377 1HB LEU 51 1HB LEU 51 0.018 -4.053 -2.480 378 2HB LEU 51 2HB LEU 51 -0.846 -3.654 -1.007 379 HG LEU 51 HG LEU 51 -1.002 -1.269 -1.969 380 1HD1 LEU 51 1HD1 LEU 51 -1.117 -1.457 -4.552 381 2HD1 LEU 51 2HD1 LEU 51 -0.023 -2.825 -4.328 382 3HD1 LEU 51 3HD1 LEU 51 0.447 -1.213 -3.770 383 1HD2 LEU 51 1HD2 LEU 51 -2.810 -2.328 -3.701 384 2HD2 LEU 51 2HD2 LEU 51 -3.075 -2.125 -1.971 385 3HD2 LEU 51 3HD2 LEU 51 -2.543 -3.680 -2.602 386 H LEU 52 H LEU 52 1.148 -0.347 -1.751 387 HA LEU 52 HA LEU 52 0.243 0.590 0.887 388 1HB LEU 52 1HB LEU 52 2.380 1.737 -0.897 389 2HB LEU 52 2HB LEU 52 1.711 2.591 0.475 390 HG LEU 52 HG LEU 52 2.752 -0.060 1.144 391 1HD1 LEU 52 1HD1 LEU 52 4.468 0.270 -0.409 392 2HD1 LEU 52 2HD1 LEU 52 5.141 0.879 1.104 393 3HD1 LEU 52 3HD1 LEU 52 4.534 2.006 -0.107 394 1HD2 LEU 52 1HD2 LEU 52 3.859 2.337 2.392 395 2HD2 LEU 52 2HD2 LEU 52 3.088 0.933 3.123 396 3HD2 LEU 52 3HD2 LEU 52 2.096 2.240 2.461 397 H SER 53 H SER 53 -1.732 1.542 0.600 398 HA SER 53 HA SER 53 -2.262 2.827 -1.993 399 1HB SER 53 1HB SER 53 -3.751 0.970 -0.573 400 2HB SER 53 2HB SER 53 -4.588 2.493 -0.279 401 HG SER 53 HG SER 53 -5.439 1.846 -2.150 402 H ASP 54 H ASP 54 -3.072 4.876 -2.183 403 HA ASP 54 HA ASP 54 -2.465 6.690 -0.058 404 1HB ASP 54 1HB ASP 54 -2.360 7.134 -2.610 405 2HB ASP 54 2HB ASP 54 -4.092 7.414 -2.485 406 H ILE 55 H ILE 55 -4.261 8.457 0.341 407 HA ILE 55 HA ILE 55 -6.903 7.352 0.540 408 HB ILE 55 HB ILE 55 -6.036 6.423 2.522 409 1HG1 ILE 55 1HG1 ILE 55 -7.297 8.979 3.510 410 2HG1 ILE 55 2HG1 ILE 55 -8.236 7.738 2.689 411 1HG2 ILE 55 1HG2 ILE 55 -4.966 8.005 4.233 412 2HG2 ILE 55 2HG2 ILE 55 -4.724 9.076 2.858 413 3HG2 ILE 55 3HG2 ILE 55 -4.007 7.467 2.858 414 1HD1 ILE 55 1HD1 ILE 55 -8.185 6.350 4.459 415 2HD1 ILE 55 2HD1 ILE 55 -7.953 7.861 5.336 416 3HD1 ILE 55 3HD1 ILE 55 -6.567 6.845 4.945 417 H ARG 56 H ARG 56 -7.293 9.130 -0.877 418 HA ARG 56 HA ARG 56 -8.488 11.328 0.265 419 1HB ARG 56 1HB ARG 56 -6.954 13.168 -0.138 420 2HB ARG 56 2HB ARG 56 -6.209 12.015 0.955 421 1HG ARG 56 1HG ARG 56 -4.500 11.679 -0.420 422 2HG ARG 56 2HG ARG 56 -5.563 11.428 -1.803 423 1HD ARG 56 1HD ARG 56 -5.011 13.427 -2.598 424 2HD ARG 56 2HD ARG 56 -5.611 14.190 -1.127 425 HE ARG 56 HE ARG 56 -3.145 13.303 -0.425 426 1HH1 ARG 56 1HH1 ARG 56 -4.343 15.286 -3.031 427 2HH1 ARG 56 2HH1 ARG 56 -2.886 16.213 -3.166 428 1HH2 ARG 56 1HH2 ARG 56 -1.223 14.518 -0.597 429 2HH2 ARG 56 2HH2 ARG 56 -1.111 15.776 -1.782 430 H MET 57 H MET 57 -9.353 9.780 -1.674 431 HA MET 57 HA MET 57 -9.700 11.576 -3.873 432 1HB MET 57 1HB MET 57 -7.516 9.883 -4.077 433 2HB MET 57 2HB MET 57 -8.761 9.068 -5.013 434 1HG MET 57 1HG MET 57 -7.972 11.943 -5.393 435 2HG MET 57 2HG MET 57 -7.322 10.600 -6.330 436 1HE MET 57 1HE MET 57 -10.603 13.208 -7.150 437 2HE MET 57 2HE MET 57 -9.718 13.073 -5.629 438 3HE MET 57 3HE MET 57 -11.296 12.301 -5.807 439 HA PRO 58 HA PRO 58 -12.284 7.525 -4.828 440 1HB PRO 58 1HB PRO 58 -12.254 5.712 -2.738 441 2HB PRO 58 2HB PRO 58 -11.289 5.571 -4.211 442 1HG PRO 58 1HG PRO 58 -10.518 6.678 -1.538 443 2HG PRO 58 2HG PRO 58 -9.601 5.590 -2.601 444 1HD PRO 58 1HD PRO 58 -9.001 8.169 -2.514 445 2HD PRO 58 2HD PRO 58 -9.038 7.323 -4.076 446 H GLY 59 H GLY 59 -14.241 6.461 -3.567 447 1HA GLY 59 1HA GLY 59 -15.887 8.469 -2.644 448 2HA GLY 59 2HA GLY 59 -16.127 6.765 -2.288 449 H MET 60 H MET 60 -14.895 5.888 -0.424 450 HA MET 60 HA MET 60 -15.272 7.552 1.857 451 1HB MET 60 1HB MET 60 -14.927 4.786 1.344 452 2HB MET 60 2HB MET 60 -13.665 5.253 2.472 453 1HG MET 60 1HG MET 60 -15.225 5.978 4.073 454 2HG MET 60 2HG MET 60 -16.548 5.949 2.906 455 1HE MET 60 1HE MET 60 -15.743 4.554 5.931 456 2HE MET 60 2HE MET 60 -16.659 3.047 5.883 457 3HE MET 60 3HE MET 60 -17.437 4.570 5.446 458 H ASP 61 H ASP 61 -13.709 9.141 0.623 459 HA ASP 61 HA ASP 61 -11.776 10.329 0.638 460 1HB ASP 61 1HB ASP 61 -12.052 9.193 3.271 461 2HB ASP 61 2HB ASP 61 -10.347 9.291 2.842 462 H GLY 62 H GLY 62 -10.620 7.306 2.059 463 1HA GLY 62 1HA GLY 62 -9.169 6.651 -0.386 464 2HA GLY 62 2HA GLY 62 -8.222 6.951 1.049 465 H LEU 63 H LEU 63 -10.064 5.820 2.897 466 HA LEU 63 HA LEU 63 -9.149 3.217 2.977 467 1HB LEU 63 1HB LEU 63 -11.709 4.146 4.261 468 2HB LEU 63 2HB LEU 63 -10.676 2.824 4.776 469 HG LEU 63 HG LEU 63 -8.908 4.833 4.929 470 1HD1 LEU 63 1HD1 LEU 63 -10.922 6.359 4.248 471 2HD1 LEU 63 2HD1 LEU 63 -9.769 6.885 5.473 472 3HD1 LEU 63 3HD1 LEU 63 -11.326 6.221 5.954 473 1HD2 LEU 63 1HD2 LEU 63 -9.113 4.714 7.247 474 2HD2 LEU 63 2HD2 LEU 63 -9.709 3.161 6.663 475 3HD2 LEU 63 3HD2 LEU 63 -10.846 4.403 7.168 476 H ALA 64 H ALA 64 -11.800 4.550 1.207 477 HA ALA 64 HA ALA 64 -13.419 2.306 0.842 478 1HB ALA 64 1HB ALA 64 -13.001 4.853 -0.508 479 2HB ALA 64 2HB ALA 64 -14.489 3.942 -0.254 480 3HB ALA 64 3HB ALA 64 -13.448 3.562 -1.625 481 H LEU 65 H LEU 65 -10.395 3.236 -0.640 482 HA LEU 65 HA LEU 65 -10.269 1.413 -2.749 483 1HB LEU 65 1HB LEU 65 -8.641 3.361 -1.696 484 2HB LEU 65 2HB LEU 65 -7.726 1.900 -1.384 485 HG LEU 65 HG LEU 65 -7.107 2.989 -3.500 486 1HD1 LEU 65 1HD1 LEU 65 -7.142 0.994 -4.872 487 2HD1 LEU 65 2HD1 LEU 65 -8.424 0.308 -3.875 488 3HD1 LEU 65 3HD1 LEU 65 -6.821 0.571 -3.190 489 1HD2 LEU 65 1HD2 LEU 65 -8.579 3.184 -5.318 490 2HD2 LEU 65 2HD2 LEU 65 -9.481 3.787 -3.933 491 3HD2 LEU 65 3HD2 LEU 65 -9.795 2.167 -4.552 492 H LEU 66 H LEU 66 -9.364 1.078 0.644 493 HA LEU 66 HA LEU 66 -8.105 -1.416 0.512 494 1HB LEU 66 1HB LEU 66 -9.710 -0.122 2.717 495 2HB LEU 66 2HB LEU 66 -8.862 -1.644 2.921 496 HG LEU 66 HG LEU 66 -7.546 0.162 3.849 497 1HD1 LEU 66 1HD1 LEU 66 -5.656 -0.790 3.165 498 2HD1 LEU 66 2HD1 LEU 66 -5.866 -0.191 1.520 499 3HD1 LEU 66 3HD1 LEU 66 -6.628 -1.703 2.009 500 1HD2 LEU 66 1HD2 LEU 66 -7.000 2.115 2.771 501 2HD2 LEU 66 2HD2 LEU 66 -8.607 1.814 2.118 502 3HD2 LEU 66 3HD2 LEU 66 -7.180 1.409 1.166 503 H LYS 67 H LYS 67 -11.489 -0.518 0.918 504 HA LYS 67 HA LYS 67 -12.603 -3.030 1.307 505 1HB LYS 67 1HB LYS 67 -13.657 -0.600 1.228 506 2HB LYS 67 2HB LYS 67 -14.046 -1.073 -0.420 507 1HG LYS 67 1HG LYS 67 -14.769 -3.212 1.302 508 2HG LYS 67 2HG LYS 67 -15.414 -1.715 1.978 509 1HD LYS 67 1HD LYS 67 -16.305 -1.216 -0.342 510 2HD LYS 67 2HD LYS 67 -15.894 -2.881 -0.756 511 1HE LYS 67 1HE LYS 67 -18.084 -3.132 -0.129 512 2HE LYS 67 2HE LYS 67 -17.272 -3.431 1.407 513 1HZ LYS 67 1HZ LYS 67 -19.185 -1.488 0.823 514 2HZ LYS 67 2HZ LYS 67 -17.739 -0.673 1.150 515 3HZ LYS 67 3HZ LYS 67 -18.380 -1.747 2.287 516 H GLN 68 H GLN 68 -11.873 -1.336 -1.740 517 HA GLN 68 HA GLN 68 -12.898 -3.345 -3.452 518 1HB GLN 68 1HB GLN 68 -10.636 -1.485 -4.159 519 2HB GLN 68 2HB GLN 68 -11.810 -2.210 -5.242 520 1HG GLN 68 1HG GLN 68 -12.578 -0.228 -3.125 521 2HG GLN 68 2HG GLN 68 -12.070 0.250 -4.744 522 1HE2 GLN 68 1HE2 GLN 68 -14.319 -1.996 -3.164 523 2HE2 GLN 68 2HE2 GLN 68 -15.622 -1.735 -4.268 524 H ILE 69 H ILE 69 -9.795 -2.816 -1.924 525 HA ILE 69 HA ILE 69 -8.229 -4.597 -3.385 526 HB ILE 69 HB ILE 69 -8.022 -3.637 -0.545 527 1HG1 ILE 69 1HG1 ILE 69 -6.163 -3.056 -2.839 528 2HG1 ILE 69 2HG1 ILE 69 -7.641 -2.129 -2.602 529 1HG2 ILE 69 1HG2 ILE 69 -6.825 -5.558 -0.254 530 2HG2 ILE 69 2HG2 ILE 69 -5.558 -4.518 -0.903 531 3HG2 ILE 69 3HG2 ILE 69 -6.376 -5.671 -1.952 532 1HD1 ILE 69 1HD1 ILE 69 -5.110 -1.818 -1.350 533 2HD1 ILE 69 2HD1 ILE 69 -6.313 -2.214 -0.122 534 3HD1 ILE 69 3HD1 ILE 69 -6.562 -0.829 -1.183 535 H LYS 70 H LYS 70 -10.144 -5.123 -0.492 536 HA LYS 70 HA LYS 70 -9.431 -7.863 -0.220 537 1HB LYS 70 1HB LYS 70 -11.083 -7.929 1.550 538 2HB LYS 70 2HB LYS 70 -10.127 -6.460 1.682 539 1HG LYS 70 1HG LYS 70 -11.953 -5.217 1.602 540 2HG LYS 70 2HG LYS 70 -12.406 -5.936 0.058 541 1HD LYS 70 1HD LYS 70 -13.279 -7.904 1.458 542 2HD LYS 70 2HD LYS 70 -13.180 -6.792 2.826 543 1HE LYS 70 1HE LYS 70 -15.025 -5.703 2.194 544 2HE LYS 70 2HE LYS 70 -14.479 -5.592 0.522 545 1HZ LYS 70 1HZ LYS 70 -16.541 -6.862 0.752 546 2HZ LYS 70 2HZ LYS 70 -15.750 -7.986 1.738 547 3HZ LYS 70 3HZ LYS 70 -15.290 -7.810 0.120 548 H GLN 71 H GLN 71 -11.777 -6.171 -2.062 549 HA GLN 71 HA GLN 71 -13.538 -8.404 -2.371 550 1HB GLN 71 1HB GLN 71 -14.767 -6.485 -2.486 551 2HB GLN 71 2HB GLN 71 -13.473 -5.577 -3.239 552 1HG GLN 71 1HG GLN 71 -14.346 -7.516 -5.113 553 2HG GLN 71 2HG GLN 71 -15.772 -6.744 -4.428 554 1HE2 GLN 71 1HE2 GLN 71 -12.581 -5.319 -4.904 555 2HE2 GLN 71 2HE2 GLN 71 -13.090 -4.111 -6.031 556 H ARG 72 H ARG 72 -10.970 -6.915 -4.208 557 HA ARG 72 HA ARG 72 -11.410 -8.817 -6.382 558 1HB ARG 72 1HB ARG 72 -10.007 -6.203 -6.178 559 2HB ARG 72 2HB ARG 72 -9.453 -7.349 -7.392 560 1HG ARG 72 1HG ARG 72 -12.356 -6.954 -7.331 561 2HG ARG 72 2HG ARG 72 -11.424 -5.518 -7.757 562 1HD ARG 72 1HD ARG 72 -11.979 -6.707 -9.768 563 2HD ARG 72 2HD ARG 72 -10.248 -6.854 -9.482 564 HE ARG 72 HE ARG 72 -12.250 -8.975 -9.157 565 1HH1 ARG 72 1HH1 ARG 72 -8.897 -7.983 -9.224 566 2HH1 ARG 72 2HH1 ARG 72 -8.297 -9.602 -9.324 567 1HH2 ARG 72 1HH2 ARG 72 -11.451 -11.102 -9.288 568 2HH2 ARG 72 2HH2 ARG 72 -9.740 -11.369 -9.359 569 H HIS 73 H HIS 73 -8.939 -7.822 -4.102 570 HA HIS 73 HA HIS 73 -7.234 -10.027 -5.011 571 1HB HIS 73 1HB HIS 73 -6.358 -8.020 -2.975 572 2HB HIS 73 2HB HIS 73 -5.406 -8.865 -4.197 573 HD1 HIS 73 HD1 HIS 73 -6.543 -8.149 -6.780 574 HD2 HIS 73 HD2 HIS 73 -6.496 -5.417 -3.663 575 HE1 HIS 73 HE1 HIS 73 -6.796 -5.898 -7.864 576 HE2 HIS 73 HE2 HIS 73 -6.604 -4.249 -5.967 577 HA PRO 74 HA PRO 74 -8.044 -12.202 -1.235 578 1HB PRO 74 1HB PRO 74 -6.361 -14.232 -1.569 579 2HB PRO 74 2HB PRO 74 -7.703 -13.973 -2.689 580 1HG PRO 74 1HG PRO 74 -4.806 -13.489 -3.075 581 2HG PRO 74 2HG PRO 74 -6.050 -13.874 -4.273 582 1HD PRO 74 1HD PRO 74 -4.995 -11.296 -3.593 583 2HD PRO 74 2HD PRO 74 -6.271 -11.675 -4.766 584 H MET 75 H MET 75 -7.395 -11.015 0.521 585 HA MET 75 HA MET 75 -6.161 -10.382 2.307 586 1HB MET 75 1HB MET 75 -4.959 -12.984 1.495 587 2HB MET 75 2HB MET 75 -4.269 -12.085 2.840 588 1HG MET 75 1HG MET 75 -6.806 -12.044 3.604 589 2HG MET 75 2HG MET 75 -6.858 -13.501 2.614 590 1HE MET 75 1HE MET 75 -3.552 -14.573 3.428 591 2HE MET 75 2HE MET 75 -5.022 -15.244 2.723 592 3HE MET 75 3HE MET 75 -4.401 -15.884 4.244 593 H LEU 76 H LEU 76 -5.398 -9.295 -0.312 594 HA LEU 76 HA LEU 76 -2.591 -9.170 -0.550 595 1HB LEU 76 1HB LEU 76 -4.394 -8.510 -2.260 596 2HB LEU 76 2HB LEU 76 -4.458 -6.976 -1.406 597 HG LEU 76 HG LEU 76 -3.023 -7.073 -3.496 598 1HD1 LEU 76 1HD1 LEU 76 -1.678 -5.402 -2.656 599 2HD1 LEU 76 2HD1 LEU 76 -1.449 -6.223 -1.110 600 3HD1 LEU 76 3HD1 LEU 76 -2.994 -5.451 -1.478 601 1HD2 LEU 76 1HD2 LEU 76 -1.991 -9.305 -2.685 602 2HD2 LEU 76 2HD2 LEU 76 -0.943 -8.274 -1.712 603 3HD2 LEU 76 3HD2 LEU 76 -0.950 -8.116 -3.468 604 HA PRO 77 HA PRO 77 -1.945 -6.741 3.206 605 1HB PRO 77 1HB PRO 77 0.799 -6.647 2.073 606 2HB PRO 77 2HB PRO 77 0.264 -7.119 3.690 607 1HG PRO 77 1HG PRO 77 1.051 -8.960 1.943 608 2HG PRO 77 2HG PRO 77 -0.338 -9.259 3.007 609 1HD PRO 77 1HD PRO 77 -0.295 -8.497 0.110 610 2HD PRO 77 2HD PRO 77 -1.343 -9.657 0.953 611 H VAL 78 H VAL 78 -2.649 -4.724 3.162 612 HA VAL 78 HA VAL 78 -1.487 -2.844 1.225 613 HB VAL 78 HB VAL 78 -4.062 -2.204 2.574 614 1HG1 VAL 78 1HG1 VAL 78 -2.980 -1.686 -0.188 615 2HG1 VAL 78 2HG1 VAL 78 -2.925 -0.565 1.170 616 3HG1 VAL 78 3HG1 VAL 78 -4.476 -1.037 0.478 617 1HG2 VAL 78 1HG2 VAL 78 -5.394 -3.411 1.023 618 2HG2 VAL 78 2HG2 VAL 78 -4.259 -4.563 1.719 619 3HG2 VAL 78 3HG2 VAL 78 -3.981 -3.920 0.101 620 H ILE 79 H ILE 79 -1.057 -0.757 1.869 621 HA ILE 79 HA ILE 79 -1.131 -0.135 4.724 622 HB ILE 79 HB ILE 79 1.325 0.301 3.043 623 1HG1 ILE 79 1HG1 ILE 79 1.829 -1.525 5.160 624 2HG1 ILE 79 2HG1 ILE 79 0.416 -2.105 4.283 625 1HG2 ILE 79 1HG2 ILE 79 2.195 1.414 4.784 626 2HG2 ILE 79 2HG2 ILE 79 1.520 0.284 5.957 627 3HG2 ILE 79 3HG2 ILE 79 0.518 1.580 5.307 628 1HD1 ILE 79 1HD1 ILE 79 3.125 -2.366 3.587 629 2HD1 ILE 79 2HD1 ILE 79 2.385 -1.285 2.403 630 3HD1 ILE 79 3HD1 ILE 79 1.707 -2.891 2.679 631 H ILE 80 H ILE 80 -2.122 1.780 4.908 632 HA ILE 80 HA ILE 80 -2.175 3.531 2.590 633 HB ILE 80 HB ILE 80 -3.712 3.836 5.167 634 1HG1 ILE 80 1HG1 ILE 80 -4.328 1.715 4.252 635 2HG1 ILE 80 2HG1 ILE 80 -5.606 2.847 3.824 636 1HG2 ILE 80 1HG2 ILE 80 -3.384 5.707 3.279 637 2HG2 ILE 80 2HG2 ILE 80 -4.865 5.536 4.211 638 3HG2 ILE 80 3HG2 ILE 80 -4.756 4.842 2.595 639 1HD1 ILE 80 1HD1 ILE 80 -4.475 3.105 1.592 640 2HD1 ILE 80 2HD1 ILE 80 -5.194 1.529 1.912 641 3HD1 ILE 80 3HD1 ILE 80 -3.451 1.745 2.048 642 H MET 81 H MET 81 -1.685 5.741 2.678 643 HA MET 81 HA MET 81 0.583 6.287 4.360 644 1HB MET 81 1HB MET 81 0.007 8.620 2.906 645 2HB MET 81 2HB MET 81 1.243 7.420 2.571 646 1HG MET 81 1HG MET 81 -1.578 7.257 1.549 647 2HG MET 81 2HG MET 81 -0.241 7.970 0.655 648 1HE MET 81 1HE MET 81 2.137 5.393 -0.139 649 2HE MET 81 2HE MET 81 1.536 7.045 -0.254 650 3HE MET 81 3HE MET 81 0.957 5.810 -1.371 651 H THR 82 H THR 82 -2.764 7.273 4.290 652 HA THR 82 HA THR 82 -2.256 8.881 6.700 653 HB THR 82 HB THR 82 -4.194 9.701 4.532 654 HG1 THR 82 HG1 THR 82 -2.414 10.277 3.569 655 1HG2 THR 82 1HG2 THR 82 -4.719 11.534 5.710 656 2HG2 THR 82 2HG2 THR 82 -3.119 11.653 6.444 657 3HG2 THR 82 3HG2 THR 82 -4.295 10.504 7.074 658 H ALA 83 H ALA 83 -4.141 9.088 8.125 659 HA ALA 83 HA ALA 83 -6.373 7.308 7.579 660 1HB ALA 83 1HB ALA 83 -4.255 6.260 8.940 661 2HB ALA 83 2HB ALA 83 -5.920 5.688 9.050 662 3HB ALA 83 3HB ALA 83 -5.293 6.816 10.253 663 H HIS 84 H HIS 84 -6.949 9.767 7.551 664 HA HIS 84 HA HIS 84 -7.478 10.798 10.218 665 1HB HIS 84 1HB HIS 84 -8.508 12.744 8.788 666 2HB HIS 84 2HB HIS 84 -6.767 12.582 8.950 667 HD1 HIS 84 HD1 HIS 84 -6.573 13.957 6.725 668 HD2 HIS 84 HD2 HIS 84 -8.403 10.250 6.324 669 HE1 HIS 84 HE1 HIS 84 -6.607 13.490 4.257 670 HE2 HIS 84 HE2 HIS 84 -7.837 11.303 4.032 671 H SER 85 H SER 85 -9.747 11.407 7.602 672 HA SER 85 HA SER 85 -11.917 10.583 9.304 673 1HB SER 85 1HB SER 85 -11.706 12.566 7.505 674 2HB SER 85 2HB SER 85 -12.448 11.336 6.483 675 HG SER 85 HG SER 85 -14.025 12.590 7.538 676 H ASP 86 H ASP 86 -13.675 9.217 8.549 677 HA ASP 86 HA ASP 86 -14.526 7.243 7.820 678 1HB ASP 86 1HB ASP 86 -12.568 7.676 5.556 679 2HB ASP 86 2HB ASP 86 -13.836 6.455 5.564 680 H LEU 87 H LEU 87 -11.840 7.429 9.370 681 HA LEU 87 HA LEU 87 -10.119 5.390 8.812 682 1HB LEU 87 1HB LEU 87 -10.656 7.044 11.006 683 2HB LEU 87 2HB LEU 87 -10.660 5.410 11.640 684 HG LEU 87 HG LEU 87 -8.404 6.683 10.086 685 1HD1 LEU 87 1HD1 LEU 87 -9.101 6.666 12.903 686 2HD1 LEU 87 2HD1 LEU 87 -7.882 7.606 12.042 687 3HD1 LEU 87 3HD1 LEU 87 -7.505 5.977 12.601 688 1HD2 LEU 87 1HD2 LEU 87 -7.982 4.202 11.610 689 2HD2 LEU 87 2HD2 LEU 87 -7.336 4.702 10.047 690 3HD2 LEU 87 3HD2 LEU 87 -8.968 4.044 10.158 691 H ASP 88 H ASP 88 -13.383 5.073 9.862 692 HA ASP 88 HA ASP 88 -13.471 2.658 11.142 693 1HB ASP 88 1HB ASP 88 -15.393 3.742 9.081 694 2HB ASP 88 2HB ASP 88 -15.733 2.358 10.115 695 H ALA 89 H ALA 89 -13.466 3.142 7.607 696 HA ALA 89 HA ALA 89 -13.615 0.411 6.959 697 1HB ALA 89 1HB ALA 89 -12.763 1.133 4.711 698 2HB ALA 89 2HB ALA 89 -12.628 2.764 5.376 699 3HB ALA 89 3HB ALA 89 -14.203 1.977 5.287 700 H ALA 90 H ALA 90 -10.965 2.300 8.072 701 HA ALA 90 HA ALA 90 -8.818 0.939 6.896 702 1HB ALA 90 1HB ALA 90 -8.879 2.121 9.671 703 2HB ALA 90 2HB ALA 90 -8.546 3.022 8.195 704 3HB ALA 90 3HB ALA 90 -7.442 1.752 8.718 705 H VAL 91 H VAL 91 -10.864 0.127 9.620 706 HA VAL 91 HA VAL 91 -9.262 -1.985 10.604 707 HB VAL 91 HB VAL 91 -12.248 -1.920 10.912 708 1HG1 VAL 91 1HG1 VAL 91 -11.165 -2.578 13.310 709 2HG1 VAL 91 2HG1 VAL 91 -9.950 -3.225 12.205 710 3HG1 VAL 91 3HG1 VAL 91 -11.631 -3.750 12.077 711 1HG2 VAL 91 1HG2 VAL 91 -11.802 0.284 11.489 712 2HG2 VAL 91 2HG2 VAL 91 -10.197 -0.097 12.114 713 3HG2 VAL 91 3HG2 VAL 91 -11.633 -0.545 13.035 714 H SER 92 H SER 92 -11.803 -1.797 8.180 715 HA SER 92 HA SER 92 -12.150 -4.570 7.803 716 1HB SER 92 1HB SER 92 -12.482 -2.395 5.722 717 2HB SER 92 2HB SER 92 -13.222 -3.996 5.709 718 HG SER 92 HG SER 92 -14.634 -3.381 7.189 719 H ALA 93 H ALA 93 -9.642 -2.406 6.988 720 HA ALA 93 HA ALA 93 -8.556 -3.861 4.805 721 1HB ALA 93 1HB ALA 93 -7.151 -1.853 6.519 722 2HB ALA 93 2HB ALA 93 -8.248 -1.419 5.203 723 3HB ALA 93 3HB ALA 93 -6.766 -2.313 4.859 724 H TYR 94 H TYR 94 -7.526 -3.429 8.161 725 HA TYR 94 HA TYR 94 -5.363 -5.204 8.073 726 1HB TYR 94 1HB TYR 94 -6.967 -4.970 10.585 727 2HB TYR 94 2HB TYR 94 -5.222 -5.044 10.383 728 HD1 TYR 94 HD1 TYR 94 -7.814 -2.984 11.326 729 HD2 TYR 94 HD2 TYR 94 -4.292 -2.938 8.936 730 HE1 TYR 94 HE1 TYR 94 -7.698 -0.540 11.557 731 HE2 TYR 94 HE2 TYR 94 -4.168 -0.490 9.163 732 HH TYR 94 HH TYR 94 -5.120 1.341 9.998 733 H GLN 95 H GLN 95 -8.753 -5.729 8.578 734 HA GLN 95 HA GLN 95 -8.478 -8.453 9.412 735 1HB GLN 95 1HB GLN 95 -10.886 -8.579 9.261 736 2HB GLN 95 2HB GLN 95 -10.420 -7.069 10.032 737 1HG GLN 95 1HG GLN 95 -12.084 -6.395 8.605 738 2HG GLN 95 2HG GLN 95 -10.627 -6.076 7.672 739 1HE2 GLN 95 1HE2 GLN 95 -12.520 -6.125 6.051 740 2HE2 GLN 95 2HE2 GLN 95 -12.772 -7.638 5.256 741 H GLN 96 H GLN 96 -9.096 -6.849 6.321 742 HA GLN 96 HA GLN 96 -9.568 -9.298 4.939 743 1HB GLN 96 1HB GLN 96 -9.538 -7.990 2.905 744 2HB GLN 96 2HB GLN 96 -10.482 -7.154 4.129 745 1HG GLN 96 1HG GLN 96 -9.296 -5.379 3.470 746 2HG GLN 96 2HG GLN 96 -8.071 -6.044 4.538 747 1HE2 GLN 96 1HE2 GLN 96 -6.633 -4.784 3.149 748 2HE2 GLN 96 2HE2 GLN 96 -6.054 -5.501 1.688 749 H GLY 97 H GLY 97 -6.754 -7.651 5.988 750 1HA GLY 97 1HA GLY 97 -4.838 -9.360 5.778 751 2HA GLY 97 2HA GLY 97 -5.093 -9.130 4.058 752 H ALA 98 H ALA 98 -5.720 -6.172 5.212 753 HA ALA 98 HA ALA 98 -3.372 -5.025 4.254 754 1HB ALA 98 1HB ALA 98 -4.303 -2.995 4.728 755 2HB ALA 98 2HB ALA 98 -4.971 -3.539 6.268 756 3HB ALA 98 3HB ALA 98 -5.741 -4.014 4.754 757 H PHE 99 H PHE 99 -1.609 -4.008 5.272 758 HA PHE 99 HA PHE 99 -0.685 -5.376 7.604 759 1HB PHE 99 1HB PHE 99 0.815 -4.762 5.709 760 2HB PHE 99 2HB PHE 99 0.619 -3.070 6.152 761 HD1 PHE 99 HD1 PHE 99 1.439 -6.272 7.890 762 HD2 PHE 99 HD2 PHE 99 2.370 -2.156 7.311 763 HE1 PHE 99 HE1 PHE 99 3.311 -6.479 9.468 764 HE2 PHE 99 HE2 PHE 99 4.253 -2.359 8.892 765 HZ PHE 99 HZ PHE 99 4.724 -4.524 9.969 766 H ASP 100 H ASP 100 -1.300 -1.936 6.861 767 HA ASP 100 HA ASP 100 -2.492 -1.365 9.331 768 1HB ASP 100 1HB ASP 100 -0.579 -0.024 10.347 769 2HB ASP 100 2HB ASP 100 -0.425 -1.774 10.431 770 H TYR 101 H TYR 101 -1.715 1.256 9.799 771 HA TYR 101 HA TYR 101 -2.155 2.568 7.203 772 1HB TYR 101 1HB TYR 101 -3.778 2.679 9.661 773 2HB TYR 101 2HB TYR 101 -3.425 4.246 8.944 774 HD1 TYR 101 HD1 TYR 101 -4.730 0.868 8.030 775 HD2 TYR 101 HD2 TYR 101 -4.775 5.044 7.230 776 HE1 TYR 101 HE1 TYR 101 -6.523 0.524 6.389 777 HE2 TYR 101 HE2 TYR 101 -6.578 4.715 5.590 778 HH TYR 101 HH TYR 101 -8.480 2.772 5.296 779 H LEU 102 H LEU 102 -1.134 4.463 6.847 780 HA LEU 102 HA LEU 102 0.924 5.294 8.780 781 1HB LEU 102 1HB LEU 102 1.054 4.719 6.081 782 2HB LEU 102 2HB LEU 102 0.919 6.458 6.077 783 HG LEU 102 HG LEU 102 2.980 6.703 7.260 784 1HD1 LEU 102 1HD1 LEU 102 3.238 5.114 8.868 785 2HD1 LEU 102 2HD1 LEU 102 4.251 4.397 7.611 786 3HD1 LEU 102 3HD1 LEU 102 2.598 3.823 7.849 787 1HD2 LEU 102 1HD2 LEU 102 2.931 4.835 4.937 788 2HD2 LEU 102 2HD2 LEU 102 4.474 5.178 5.722 789 3HD2 LEU 102 3HD2 LEU 102 3.521 6.490 5.036 790 HA PRO 103 HA PRO 103 -1.460 8.976 9.550 791 1HB PRO 103 1HB PRO 103 0.540 10.729 10.215 792 2HB PRO 103 2HB PRO 103 -0.110 9.506 11.309 793 1HG PRO 103 1HG PRO 103 2.413 9.489 9.734 794 2HG PRO 103 2HG PRO 103 2.081 8.816 11.334 795 1HD PRO 103 1HD PRO 103 2.244 7.319 9.046 796 2HD PRO 103 2HD PRO 103 1.312 6.845 10.479 797 H LYS 104 H LYS 104 1.442 9.371 7.598 798 HA LYS 104 HA LYS 104 0.292 10.379 5.331 799 1HB LYS 104 1HB LYS 104 -0.060 12.352 7.133 800 2HB LYS 104 2HB LYS 104 1.536 12.784 6.534 801 1HG LYS 104 1HG LYS 104 -1.016 12.529 4.962 802 2HG LYS 104 2HG LYS 104 -0.051 13.978 5.234 803 1HD LYS 104 1HD LYS 104 0.739 13.499 3.164 804 2HD LYS 104 2HD LYS 104 1.798 12.406 4.055 805 1HE LYS 104 1HE LYS 104 0.581 10.526 3.452 806 2HE LYS 104 2HE LYS 104 -0.881 11.455 3.138 807 1HZ LYS 104 1HZ LYS 104 0.603 10.507 1.189 808 2HZ LYS 104 2HZ LYS 104 1.441 11.961 1.430 809 3HZ LYS 104 3HZ LYS 104 -0.206 11.992 1.049 810 HA PRO 105 HA PRO 105 5.155 11.428 5.599 811 1HB PRO 105 1HB PRO 105 6.132 9.607 7.527 812 2HB PRO 105 2HB PRO 105 6.129 11.367 7.653 813 1HG PRO 105 1HG PRO 105 4.226 9.383 8.787 814 2HG PRO 105 2HG PRO 105 4.750 10.944 9.445 815 1HD PRO 105 1HD PRO 105 2.331 10.655 8.365 816 2HD PRO 105 2HD PRO 105 3.260 12.140 8.118 817 H PHE 106 H PHE 106 6.765 9.855 4.714 818 HA PHE 106 HA PHE 106 5.999 7.115 4.451 819 1HB PHE 106 1HB PHE 106 4.504 8.684 2.895 820 2HB PHE 106 2HB PHE 106 5.885 8.543 1.826 821 HD1 PHE 106 HD1 PHE 106 6.529 6.367 0.921 822 HD2 PHE 106 HD2 PHE 106 3.021 6.872 3.267 823 HE1 PHE 106 HE1 PHE 106 5.660 4.222 0.080 824 HE2 PHE 106 HE2 PHE 106 2.151 4.728 2.436 825 HZ PHE 106 HZ PHE 106 3.475 3.409 0.833 826 H ASP 107 H ASP 107 7.454 8.877 1.753 827 HA ASP 107 HA ASP 107 9.480 8.527 0.748 828 1HB ASP 107 1HB ASP 107 11.351 9.361 2.067 829 2HB ASP 107 2HB ASP 107 9.925 10.357 2.339 830 H ILE 108 H ILE 108 11.867 7.528 1.388 831 HA ILE 108 HA ILE 108 11.382 4.750 1.464 832 HB ILE 108 HB ILE 108 13.809 6.430 1.305 833 1HG1 ILE 108 1HG1 ILE 108 14.026 5.524 -0.834 834 2HG1 ILE 108 2HG1 ILE 108 13.098 4.086 -0.413 835 1HG2 ILE 108 1HG2 ILE 108 14.230 4.425 2.889 836 2HG2 ILE 108 2HG2 ILE 108 15.355 4.728 1.569 837 3HG2 ILE 108 3HG2 ILE 108 14.138 3.470 1.411 838 1HD1 ILE 108 1HD1 ILE 108 11.063 5.290 -0.465 839 2HD1 ILE 108 2HD1 ILE 108 11.948 5.696 -1.925 840 3HD1 ILE 108 3HD1 ILE 108 11.900 6.832 -0.584 841 H ASP 109 H ASP 109 12.895 6.920 3.752 842 HA ASP 109 HA ASP 109 13.622 5.158 5.705 843 1HB ASP 109 1HB ASP 109 13.670 7.844 5.499 844 2HB ASP 109 2HB ASP 109 12.379 7.658 6.681 845 H GLU 110 H GLU 110 10.493 6.896 5.643 846 HA GLU 110 HA GLU 110 9.455 5.325 7.756 847 1HB GLU 110 1HB GLU 110 7.919 7.155 5.923 848 2HB GLU 110 2HB GLU 110 7.447 6.619 7.528 849 1HG GLU 110 1HG GLU 110 10.010 8.087 7.231 850 2HG GLU 110 2HG GLU 110 8.502 8.993 7.104 851 H ALA 111 H ALA 111 9.245 5.083 4.264 852 HA ALA 111 HA ALA 111 7.058 3.209 4.428 853 1HB ALA 111 1HB ALA 111 8.711 4.158 2.110 854 2HB ALA 111 2HB ALA 111 7.047 4.588 2.510 855 3HB ALA 111 3HB ALA 111 7.432 2.955 1.963 856 H VAL 112 H VAL 112 10.409 2.979 3.182 857 HA VAL 112 HA VAL 112 10.510 0.243 2.910 858 HB VAL 112 HB VAL 112 12.811 1.923 3.886 859 1HG1 VAL 112 1HG1 VAL 112 13.370 -0.225 2.017 860 2HG1 VAL 112 2HG1 VAL 112 12.618 -0.810 3.504 861 3HG1 VAL 112 3HG1 VAL 112 14.108 0.135 3.578 862 1HG2 VAL 112 1HG2 VAL 112 13.220 1.753 1.249 863 2HG2 VAL 112 2HG2 VAL 112 12.328 3.077 1.996 864 3HG2 VAL 112 3HG2 VAL 112 11.458 1.732 1.264 865 H ALA 113 H ALA 113 10.794 2.195 5.764 866 HA ALA 113 HA ALA 113 11.772 0.297 7.584 867 1HB ALA 113 1HB ALA 113 9.820 1.989 8.819 868 2HB ALA 113 2HB ALA 113 10.755 2.930 7.664 869 3HB ALA 113 3HB ALA 113 11.577 2.053 8.957 870 H LEU 114 H LEU 114 8.506 1.289 6.763 871 HA LEU 114 HA LEU 114 7.234 -0.724 8.309 872 1HB LEU 114 1HB LEU 114 6.345 1.562 7.795 873 2HB LEU 114 2HB LEU 114 6.033 0.998 6.165 874 HG LEU 114 HG LEU 114 4.656 -0.869 7.386 875 1HD1 LEU 114 1HD1 LEU 114 3.513 0.389 9.379 876 2HD1 LEU 114 2HD1 LEU 114 5.070 1.213 9.480 877 3HD1 LEU 114 3HD1 LEU 114 4.989 -0.543 9.637 878 1HD2 LEU 114 1HD2 LEU 114 3.580 0.562 5.892 879 2HD2 LEU 114 2HD2 LEU 114 3.879 1.983 6.892 880 3HD2 LEU 114 3HD2 LEU 114 2.702 0.774 7.406 881 H VAL 115 H VAL 115 8.457 -0.656 5.078 882 HA VAL 115 HA VAL 115 6.653 -2.676 4.124 883 HB VAL 115 HB VAL 115 7.824 -0.952 2.645 884 1HG1 VAL 115 1HG1 VAL 115 9.972 -1.465 1.764 885 2HG1 VAL 115 2HG1 VAL 115 10.032 -3.001 2.628 886 3HG1 VAL 115 3HG1 VAL 115 10.119 -1.483 3.518 887 1HG2 VAL 115 1HG2 VAL 115 6.529 -3.087 1.989 888 2HG2 VAL 115 2HG2 VAL 115 8.121 -3.747 1.614 889 3HG2 VAL 115 3HG2 VAL 115 7.546 -2.308 0.780 890 H GLU 116 H GLU 116 10.094 -2.651 5.026 891 HA GLU 116 HA GLU 116 10.555 -5.373 4.525 892 1HB GLU 116 1HB GLU 116 11.913 -3.450 6.411 893 2HB GLU 116 2HB GLU 116 12.502 -5.076 6.094 894 1HG GLU 116 1HG GLU 116 12.431 -4.327 3.603 895 2HG GLU 116 2HG GLU 116 12.429 -2.703 4.290 896 H ARG 117 H ARG 117 9.638 -3.694 7.528 897 HA ARG 117 HA ARG 117 9.605 -6.009 9.126 898 1HB ARG 117 1HB ARG 117 8.357 -4.692 10.746 899 2HB ARG 117 2HB ARG 117 9.683 -3.753 10.081 900 1HG ARG 117 1HG ARG 117 8.002 -2.714 8.512 901 2HG ARG 117 2HG ARG 117 6.749 -3.490 9.485 902 1HD ARG 117 1HD ARG 117 8.772 -2.005 11.015 903 2HD ARG 117 2HD ARG 117 7.766 -1.012 9.966 904 HE ARG 117 HE ARG 117 5.959 -2.546 11.258 905 1HH1 ARG 117 1HH1 ARG 117 8.604 -0.550 12.357 906 2HH1 ARG 117 2HH1 ARG 117 7.852 -0.168 13.869 907 1HH2 ARG 117 1HH2 ARG 117 4.968 -2.040 13.247 908 2HH2 ARG 117 2HH2 ARG 117 5.791 -1.012 14.374 909 H ALA 118 H ALA 118 7.398 -4.778 6.801 910 HA ALA 118 HA ALA 118 5.075 -6.134 7.726 911 1HB ALA 118 1HB ALA 118 4.151 -5.601 5.502 912 2HB ALA 118 2HB ALA 118 5.738 -5.009 5.008 913 3HB ALA 118 3HB ALA 118 4.855 -4.194 6.299 914 H ILE 119 H ILE 119 7.394 -6.776 5.104 915 HA ILE 119 HA ILE 119 6.264 -9.254 4.354 916 HB ILE 119 HB ILE 119 9.119 -8.375 3.954 917 1HG1 ILE 119 1HG1 ILE 119 7.135 -8.008 1.789 918 2HG1 ILE 119 2HG1 ILE 119 6.991 -6.908 3.156 919 1HG2 ILE 119 1HG2 ILE 119 7.373 -10.315 2.445 920 2HG2 ILE 119 2HG2 ILE 119 8.779 -10.705 3.438 921 3HG2 ILE 119 3HG2 ILE 119 8.981 -9.795 1.940 922 1HD1 ILE 119 1HD1 ILE 119 9.186 -6.088 2.831 923 2HD1 ILE 119 2HD1 ILE 119 8.391 -6.090 1.256 924 3HD1 ILE 119 3HD1 ILE 119 9.553 -7.356 1.660 925 H SER 120 H SER 120 8.604 -8.291 6.715 926 HA SER 120 HA SER 120 9.687 -10.857 7.246 927 1HB SER 120 1HB SER 120 9.798 -8.175 8.527 928 2HB SER 120 2HB SER 120 10.201 -9.564 9.537 929 HG SER 120 HG SER 120 11.951 -8.502 8.257 930 H HIS 121 H HIS 121 7.073 -8.952 8.662 931 HA HIS 121 HA HIS 121 6.505 -10.877 10.711 932 1HB HIS 121 1HB HIS 121 5.164 -8.375 9.736 933 2HB HIS 121 2HB HIS 121 4.335 -9.446 10.862 934 HD1 HIS 121 HD1 HIS 121 5.588 -6.444 11.291 935 HD2 HIS 121 HD2 HIS 121 6.957 -10.063 12.802 936 HE1 HIS 121 HE1 HIS 121 6.932 -5.853 13.332 937 HE2 HIS 121 HE2 HIS 121 7.829 -8.052 14.177 938 H TYR 122 H TYR 122 5.543 -10.380 7.440 939 HA TYR 122 HA TYR 122 3.240 -12.095 7.631 940 1HB TYR 122 1HB TYR 122 4.237 -10.160 5.746 941 2HB TYR 122 2HB TYR 122 3.813 -11.658 4.927 942 HD1 TYR 122 HD1 TYR 122 2.562 -8.593 5.515 943 HD2 TYR 122 HD2 TYR 122 1.488 -12.654 6.195 944 HE1 TYR 122 HE1 TYR 122 0.191 -7.951 5.577 945 HE2 TYR 122 HE2 TYR 122 -0.885 -12.020 6.256 946 HH TYR 122 HH TYR 122 -1.999 -8.962 5.259 947 H GLN 123 H GLN 123 6.585 -12.347 6.820 948 HA GLN 123 HA GLN 123 6.344 -15.193 6.552 949 1HB GLN 123 1HB GLN 123 6.196 -13.754 4.225 950 2HB GLN 123 2HB GLN 123 7.912 -14.125 4.320 951 1HG GLN 123 1HG GLN 123 6.560 -16.502 4.947 952 2HG GLN 123 2HG GLN 123 5.726 -15.806 3.558 953 1HE2 GLN 123 1HE2 GLN 123 8.560 -17.356 4.699 954 2HE2 GLN 123 2HE2 GLN 123 9.379 -17.473 3.182 955 H GLU 124 H GLU 124 8.436 -16.279 6.523 956 HA GLU 124 HA GLU 124 10.784 -14.691 7.098 957 1HB GLU 124 1HB GLU 124 9.259 -15.247 9.252 958 2HB GLU 124 2HB GLU 124 10.234 -16.710 9.197 959 1HG GLU 124 1HG GLU 124 12.257 -15.195 9.107 960 2HG GLU 124 2HG GLU 124 11.162 -13.874 9.512 Start of MODEL 20 1 1H MET 1 1H MET 1 8.474 -19.209 -6.181 2 2H MET 1 2H MET 1 8.307 -18.408 -7.690 3 3H MET 1 3H MET 1 7.256 -18.021 -6.390 4 HA MET 1 HA MET 1 9.609 -17.587 -5.268 5 1HB MET 1 1HB MET 1 9.812 -16.841 -8.194 6 2HB MET 1 2HB MET 1 10.925 -16.303 -6.944 7 1HG MET 1 1HG MET 1 11.600 -18.598 -6.532 8 2HG MET 1 2HG MET 1 10.452 -19.164 -7.744 9 1HE MET 1 1HE MET 1 13.167 -16.524 -7.195 10 2HE MET 1 2HE MET 1 12.418 -15.765 -8.600 11 3HE MET 1 3HE MET 1 14.036 -16.455 -8.729 12 H GLN 2 H GLN 2 9.926 -15.322 -4.773 13 HA GLN 2 HA GLN 2 7.492 -13.754 -5.263 14 1HB GLN 2 1HB GLN 2 9.271 -14.076 -2.920 15 2HB GLN 2 2HB GLN 2 8.653 -12.455 -3.205 16 1HG GLN 2 1HG GLN 2 6.615 -12.989 -2.496 17 2HG GLN 2 2HG GLN 2 6.597 -14.500 -3.405 18 1HE2 GLN 2 1HE2 GLN 2 6.045 -13.511 -0.500 19 2HE2 GLN 2 2HE2 GLN 2 6.764 -14.754 0.460 20 H ARG 3 H ARG 3 10.976 -13.615 -5.152 21 HA ARG 3 HA ARG 3 12.510 -12.292 -6.141 22 1HB ARG 3 1HB ARG 3 12.126 -11.674 -8.284 23 2HB ARG 3 2HB ARG 3 10.679 -12.637 -8.055 24 1HG ARG 3 1HG ARG 3 9.337 -10.698 -7.756 25 2HG ARG 3 2HG ARG 3 10.756 -9.657 -7.652 26 1HD ARG 3 1HD ARG 3 10.020 -9.314 -9.821 27 2HD ARG 3 2HD ARG 3 11.284 -10.525 -10.022 28 HE ARG 3 HE ARG 3 8.950 -11.944 -9.727 29 1HH1 ARG 3 1HH1 ARG 3 10.145 -9.512 -11.924 30 2HH1 ARG 3 2HH1 ARG 3 9.209 -10.084 -13.263 31 1HH2 ARG 3 1HH2 ARG 3 7.719 -12.699 -11.491 32 2HH2 ARG 3 2HH2 ARG 3 7.833 -11.891 -13.019 33 H GLY 4 H GLY 4 9.676 -10.781 -4.849 34 1HA GLY 4 1HA GLY 4 9.886 -9.047 -3.221 35 2HA GLY 4 2HA GLY 4 11.344 -8.508 -4.040 36 H ILE 5 H ILE 5 7.870 -8.381 -3.969 37 HA ILE 5 HA ILE 5 7.968 -6.270 -6.029 38 HB ILE 5 HB ILE 5 5.538 -7.961 -5.498 39 1HG1 ILE 5 1HG1 ILE 5 7.087 -9.601 -6.207 40 2HG1 ILE 5 2HG1 ILE 5 6.216 -9.147 -7.667 41 1HG2 ILE 5 1HG2 ILE 5 6.041 -6.821 -8.154 42 2HG2 ILE 5 2HG2 ILE 5 5.820 -5.635 -6.867 43 3HG2 ILE 5 3HG2 ILE 5 4.569 -6.837 -7.182 44 1HD1 ILE 5 1HD1 ILE 5 8.221 -8.923 -8.589 45 2HD1 ILE 5 2HD1 ILE 5 9.031 -8.921 -7.021 46 3HD1 ILE 5 3HD1 ILE 5 8.351 -7.427 -7.664 47 H VAL 6 H VAL 6 7.695 -4.374 -5.087 48 HA VAL 6 HA VAL 6 5.733 -4.125 -2.896 49 HB VAL 6 HB VAL 6 7.933 -3.579 -2.054 50 1HG1 VAL 6 1HG1 VAL 6 9.068 -3.246 -4.156 51 2HG1 VAL 6 2HG1 VAL 6 9.327 -1.855 -3.113 52 3HG1 VAL 6 3HG1 VAL 6 8.174 -1.757 -4.429 53 1HG2 VAL 6 1HG2 VAL 6 7.507 -1.489 -1.143 54 2HG2 VAL 6 2HG2 VAL 6 5.901 -2.054 -1.601 55 3HG2 VAL 6 3HG2 VAL 6 6.749 -0.888 -2.618 56 H TRP 7 H TRP 7 3.921 -3.028 -3.476 57 HA TRP 7 HA TRP 7 4.146 -1.141 -5.729 58 1HB TRP 7 1HB TRP 7 1.949 -3.005 -4.904 59 2HB TRP 7 2HB TRP 7 1.573 -1.564 -5.849 60 HD1 TRP 7 HD1 TRP 7 4.880 -2.734 -6.908 61 HE1 TRP 7 HE1 TRP 7 4.734 -4.079 -9.092 62 HE3 TRP 7 HE3 TRP 7 -0.173 -3.534 -7.032 63 HZ2 TRP 7 HZ2 TRP 7 2.745 -5.328 -10.657 64 HZ3 TRP 7 HZ3 TRP 7 -1.113 -4.819 -8.907 65 HH2 TRP 7 HH2 TRP 7 0.318 -5.698 -10.681 66 H VAL 8 H VAL 8 3.259 0.889 -5.590 67 HA VAL 8 HA VAL 8 2.141 1.682 -2.979 68 HB VAL 8 HB VAL 8 3.824 3.677 -4.377 69 1HG1 VAL 8 1HG1 VAL 8 2.901 4.434 -2.381 70 2HG1 VAL 8 2HG1 VAL 8 4.554 4.012 -1.942 71 3HG1 VAL 8 3HG1 VAL 8 3.231 2.924 -1.541 72 1HG2 VAL 8 1HG2 VAL 8 5.511 2.201 -4.633 73 2HG2 VAL 8 2HG2 VAL 8 4.899 1.108 -3.390 74 3HG2 VAL 8 3HG2 VAL 8 5.772 2.567 -2.930 75 H VAL 9 H VAL 9 0.620 3.313 -2.989 76 HA VAL 9 HA VAL 9 -0.065 4.495 -5.586 77 HB VAL 9 HB VAL 9 -2.404 4.029 -3.879 78 1HG1 VAL 9 1HG1 VAL 9 -3.072 4.753 -5.904 79 2HG1 VAL 9 2HG1 VAL 9 -2.995 3.048 -6.349 80 3HG1 VAL 9 3HG1 VAL 9 -1.652 4.134 -6.712 81 1HG2 VAL 9 1HG2 VAL 9 -0.950 1.687 -5.100 82 2HG2 VAL 9 2HG2 VAL 9 -2.632 1.645 -4.575 83 3HG2 VAL 9 3HG2 VAL 9 -1.354 1.919 -3.408 84 H ASP 10 H ASP 10 -0.060 6.617 -5.479 85 HA ASP 10 HA ASP 10 -1.318 8.185 -3.528 86 1HB ASP 10 1HB ASP 10 0.775 7.224 -2.288 87 2HB ASP 10 2HB ASP 10 1.652 8.440 -3.216 88 H ASP 11 H ASP 11 0.727 10.323 -3.699 89 HA ASP 11 HA ASP 11 -0.247 11.555 -6.034 90 1HB ASP 11 1HB ASP 11 1.965 12.266 -4.118 91 2HB ASP 11 2HB ASP 11 1.613 13.256 -5.532 92 H ASP 12 H ASP 12 1.983 9.117 -5.859 93 HA ASP 12 HA ASP 12 3.509 8.258 -7.303 94 1HB ASP 12 1HB ASP 12 1.423 9.226 -8.798 95 2HB ASP 12 2HB ASP 12 2.800 10.012 -9.557 96 H SER 13 H SER 13 4.620 9.876 -9.621 97 HA SER 13 HA SER 13 6.693 10.797 -9.901 98 1HB SER 13 1HB SER 13 6.504 13.186 -9.691 99 2HB SER 13 2HB SER 13 4.953 12.501 -10.187 100 HG SER 13 HG SER 13 5.263 14.120 -8.247 101 H SER 14 H SER 14 6.207 12.797 -7.107 102 HA SER 14 HA SER 14 8.764 12.536 -6.113 103 1HB SER 14 1HB SER 14 7.813 13.403 -3.963 104 2HB SER 14 2HB SER 14 7.334 14.333 -5.382 105 HG SER 14 HG SER 14 5.346 13.227 -5.350 106 H ILE 15 H ILE 15 5.852 10.956 -4.785 107 HA ILE 15 HA ILE 15 7.205 9.344 -2.942 108 HB ILE 15 HB ILE 15 4.618 8.592 -4.289 109 1HG1 ILE 15 1HG1 ILE 15 4.521 10.945 -3.516 110 2HG1 ILE 15 2HG1 ILE 15 3.444 9.896 -2.602 111 1HG2 ILE 15 1HG2 ILE 15 4.908 8.120 -1.430 112 2HG2 ILE 15 2HG2 ILE 15 6.112 7.270 -2.398 113 3HG2 ILE 15 3HG2 ILE 15 4.394 7.026 -2.713 114 1HD1 ILE 15 1HD1 ILE 15 6.167 10.378 -1.528 115 2HD1 ILE 15 2HD1 ILE 15 4.644 10.105 -0.682 116 3HD1 ILE 15 3HD1 ILE 15 4.975 11.674 -1.418 117 H ARG 16 H ARG 16 6.538 8.920 -6.326 118 HA ARG 16 HA ARG 16 7.150 6.139 -6.443 119 1HB ARG 16 1HB ARG 16 5.752 7.232 -8.134 120 2HB ARG 16 2HB ARG 16 7.116 8.218 -8.635 121 1HG ARG 16 1HG ARG 16 8.300 6.020 -9.150 122 2HG ARG 16 2HG ARG 16 6.711 5.271 -9.003 123 1HD ARG 16 1HD ARG 16 5.909 6.280 -10.894 124 2HD ARG 16 2HD ARG 16 6.977 7.671 -10.736 125 HE ARG 16 HE ARG 16 8.738 6.381 -11.679 126 1HH1 ARG 16 1HH1 ARG 16 5.632 4.764 -11.760 127 2HH1 ARG 16 2HH1 ARG 16 6.112 3.656 -13.000 128 1HH2 ARG 16 1HH2 ARG 16 9.353 4.917 -13.304 129 2HH2 ARG 16 2HH2 ARG 16 8.218 3.740 -13.873 130 H TRP 17 H TRP 17 8.952 8.963 -7.683 131 HA TRP 17 HA TRP 17 11.234 7.734 -8.511 132 1HB TRP 17 1HB TRP 17 10.650 10.193 -8.663 133 2HB TRP 17 2HB TRP 17 11.301 10.357 -7.034 134 HD1 TRP 17 HD1 TRP 17 12.481 9.199 -10.539 135 HE1 TRP 17 HE1 TRP 17 14.994 9.712 -10.744 136 HE3 TRP 17 HE3 TRP 17 13.338 10.951 -5.812 137 HZ2 TRP 17 HZ2 TRP 17 17.064 10.734 -9.120 138 HZ3 TRP 17 HZ3 TRP 17 15.613 11.674 -5.218 139 HH2 TRP 17 HH2 TRP 17 17.437 11.568 -6.839 140 H VAL 18 H VAL 18 10.555 8.746 -5.175 141 HA VAL 18 HA VAL 18 13.107 8.021 -4.208 142 HB VAL 18 HB VAL 18 10.845 7.900 -2.303 143 1HG1 VAL 18 1HG1 VAL 18 13.448 7.877 -1.925 144 2HG1 VAL 18 2HG1 VAL 18 12.369 8.698 -0.799 145 3HG1 VAL 18 3HG1 VAL 18 13.249 9.626 -2.011 146 1HG2 VAL 18 1HG2 VAL 18 11.232 10.157 -4.110 147 2HG2 VAL 18 2HG2 VAL 18 11.337 10.604 -2.408 148 3HG2 VAL 18 3HG2 VAL 18 9.897 9.792 -3.017 149 H LEU 19 H LEU 19 10.013 6.427 -3.602 150 HA LEU 19 HA LEU 19 11.207 4.102 -2.551 151 1HB LEU 19 1HB LEU 19 8.714 5.106 -2.469 152 2HB LEU 19 2HB LEU 19 8.493 3.844 -3.665 153 HG LEU 19 HG LEU 19 9.324 2.171 -2.072 154 1HD1 LEU 19 1HD1 LEU 19 10.849 3.448 -0.751 155 2HD1 LEU 19 2HD1 LEU 19 9.579 2.856 0.318 156 3HD1 LEU 19 3HD1 LEU 19 9.564 4.533 -0.221 157 1HD2 LEU 19 1HD2 LEU 19 7.407 3.037 -0.244 158 2HD2 LEU 19 2HD2 LEU 19 7.154 1.983 -1.634 159 3HD2 LEU 19 3HD2 LEU 19 6.907 3.722 -1.790 160 H GLU 20 H GLU 20 10.590 5.011 -5.825 161 HA GLU 20 HA GLU 20 10.396 2.389 -6.855 162 1HB GLU 20 1HB GLU 20 10.626 3.295 -9.019 163 2HB GLU 20 2HB GLU 20 9.680 4.433 -8.087 164 1HG GLU 20 1HG GLU 20 11.632 5.859 -7.845 165 2HG GLU 20 2HG GLU 20 12.595 4.699 -8.754 166 H ARG 21 H ARG 21 13.140 4.643 -6.994 167 HA ARG 21 HA ARG 21 14.928 2.580 -7.813 168 1HB ARG 21 1HB ARG 21 15.528 5.372 -6.833 169 2HB ARG 21 2HB ARG 21 16.689 4.294 -7.597 170 1HG ARG 21 1HG ARG 21 14.383 4.527 -9.264 171 2HG ARG 21 2HG ARG 21 14.951 6.136 -8.821 172 1HD ARG 21 1HD ARG 21 16.720 3.963 -9.933 173 2HD ARG 21 2HD ARG 21 15.947 5.206 -10.917 174 HE ARG 21 HE ARG 21 17.554 6.216 -8.743 175 1HH1 ARG 21 1HH1 ARG 21 17.505 5.236 -12.096 176 2HH1 ARG 21 2HH1 ARG 21 18.893 6.179 -12.520 177 1HH2 ARG 21 1HH2 ARG 21 19.383 7.454 -9.305 178 2HH2 ARG 21 2HH2 ARG 21 19.959 7.436 -10.939 179 H ALA 22 H ALA 22 14.522 4.350 -4.745 180 HA ALA 22 HA ALA 22 16.633 3.199 -3.376 181 1HB ALA 22 1HB ALA 22 15.906 4.504 -1.749 182 2HB ALA 22 2HB ALA 22 14.447 3.531 -1.572 183 3HB ALA 22 3HB ALA 22 14.485 4.865 -2.720 184 H LEU 23 H LEU 23 13.258 2.123 -3.239 185 HA LEU 23 HA LEU 23 13.800 -0.192 -1.770 186 1HB LEU 23 1HB LEU 23 11.507 0.902 -3.138 187 2HB LEU 23 2HB LEU 23 11.594 -0.829 -3.380 188 HG LEU 23 HG LEU 23 11.503 0.601 -0.720 189 1HD1 LEU 23 1HD1 LEU 23 9.428 0.053 -2.414 190 2HD1 LEU 23 2HD1 LEU 23 9.295 0.234 -0.665 191 3HD1 LEU 23 3HD1 LEU 23 9.443 -1.377 -1.376 192 1HD2 LEU 23 1HD2 LEU 23 11.178 -2.331 -0.895 193 2HD2 LEU 23 2HD2 LEU 23 11.912 -1.341 0.365 194 3HD2 LEU 23 3HD2 LEU 23 12.814 -1.706 -1.105 195 H ALA 24 H ALA 24 14.147 0.516 -5.149 196 HA ALA 24 HA ALA 24 14.278 -2.121 -6.137 197 1HB ALA 24 1HB ALA 24 15.182 -1.219 -8.097 198 2HB ALA 24 2HB ALA 24 15.953 0.115 -7.239 199 3HB ALA 24 3HB ALA 24 14.204 0.097 -7.450 200 H GLY 25 H GLY 25 16.629 -0.009 -4.592 201 1HA GLY 25 1HA GLY 25 18.919 -1.615 -5.054 202 2HA GLY 25 2HA GLY 25 18.750 -0.404 -3.788 203 H ALA 26 H ALA 26 16.294 -1.825 -2.806 204 HA ALA 26 HA ALA 26 17.627 -3.536 -0.944 205 1HB ALA 26 1HB ALA 26 15.933 -2.608 0.211 206 2HB ALA 26 2HB ALA 26 14.984 -3.936 -0.456 207 3HB ALA 26 3HB ALA 26 14.952 -2.354 -1.234 208 H GLY 27 H GLY 27 16.204 -3.977 -4.006 209 1HA GLY 27 1HA GLY 27 16.525 -6.035 -5.168 210 2HA GLY 27 2HA GLY 27 16.387 -6.884 -3.640 211 H LEU 28 H LEU 28 14.075 -4.383 -4.474 212 HA LEU 28 HA LEU 28 12.151 -6.467 -5.161 213 1HB LEU 28 1HB LEU 28 11.057 -4.159 -3.703 214 2HB LEU 28 2HB LEU 28 10.627 -5.856 -3.608 215 HG LEU 28 HG LEU 28 13.005 -5.973 -2.396 216 1HD1 LEU 28 1HD1 LEU 28 12.229 -3.151 -2.388 217 2HD1 LEU 28 2HD1 LEU 28 13.817 -3.899 -2.226 218 3HD1 LEU 28 3HD1 LEU 28 12.736 -3.815 -0.832 219 1HD2 LEU 28 1HD2 LEU 28 11.519 -6.809 -0.959 220 2HD2 LEU 28 2HD2 LEU 28 10.240 -5.749 -1.553 221 3HD2 LEU 28 3HD2 LEU 28 11.361 -5.174 -0.319 222 H THR 29 H THR 29 10.058 -5.433 -6.010 223 HA THR 29 HA THR 29 10.828 -3.443 -8.032 224 HB THR 29 HB THR 29 8.627 -5.510 -7.963 225 HG1 THR 29 HG1 THR 29 10.910 -5.154 -9.600 226 1HG2 THR 29 1HG2 THR 29 7.939 -4.835 -10.148 227 2HG2 THR 29 2HG2 THR 29 9.164 -3.567 -10.190 228 3HG2 THR 29 3HG2 THR 29 7.815 -3.453 -9.059 229 H CYS 30 H CYS 30 10.308 -1.428 -7.413 230 HA CYS 30 HA CYS 30 7.803 -1.058 -5.938 231 1HB CYS 30 1HB CYS 30 10.018 -0.279 -4.944 232 2HB CYS 30 2HB CYS 30 9.976 0.995 -6.155 233 HG CYS 30 HG CYS 30 8.183 2.172 -4.900 234 H THR 31 H THR 31 6.168 -0.552 -7.144 235 HA THR 31 HA THR 31 6.529 1.445 -9.273 236 HB THR 31 HB THR 31 5.960 -0.974 -9.996 237 HG1 THR 31 HG1 THR 31 4.059 0.931 -10.837 238 1HG2 THR 31 1HG2 THR 31 4.008 -1.926 -9.543 239 2HG2 THR 31 2HG2 THR 31 3.122 -0.413 -9.675 240 3HG2 THR 31 3HG2 THR 31 3.952 -0.819 -8.174 241 H THR 32 H THR 32 4.765 2.952 -9.513 242 HA THR 32 HA THR 32 3.013 3.030 -7.167 243 HB THR 32 HB THR 32 3.251 5.437 -7.065 244 HG1 THR 32 HG1 THR 32 4.667 5.035 -9.444 245 1HG2 THR 32 1HG2 THR 32 5.098 3.725 -6.186 246 2HG2 THR 32 2HG2 THR 32 5.227 5.475 -5.985 247 3HG2 THR 32 3HG2 THR 32 6.087 4.672 -7.297 248 H PHE 33 H PHE 33 1.079 4.321 -7.396 249 HA PHE 33 HA PHE 33 0.074 4.496 -10.143 250 1HB PHE 33 1HB PHE 33 -1.443 3.267 -7.845 251 2HB PHE 33 2HB PHE 33 -2.032 3.464 -9.480 252 HD1 PHE 33 HD1 PHE 33 0.908 1.984 -7.722 253 HD2 PHE 33 HD2 PHE 33 -2.002 1.576 -10.793 254 HE1 PHE 33 HE1 PHE 33 1.789 -0.248 -8.249 255 HE2 PHE 33 HE2 PHE 33 -1.132 -0.652 -11.330 256 HZ PHE 33 HZ PHE 33 0.761 -1.577 -10.060 257 H GLU 34 H GLU 34 -2.212 5.630 -10.066 258 HA GLU 34 HA GLU 34 -1.773 8.258 -9.311 259 1HB GLU 34 1HB GLU 34 -4.237 8.532 -9.794 260 2HB GLU 34 2HB GLU 34 -3.260 7.813 -11.067 261 1HG GLU 34 1HG GLU 34 -4.600 6.070 -11.131 262 2HG GLU 34 2HG GLU 34 -4.234 5.713 -9.449 263 H ASN 35 H ASN 35 -4.035 5.966 -7.653 264 HA ASN 35 HA ASN 35 -3.501 7.259 -5.167 265 1HB ASN 35 1HB ASN 35 -5.928 7.926 -4.784 266 2HB ASN 35 2HB ASN 35 -4.983 8.950 -5.860 267 1HD2 ASN 35 1HD2 ASN 35 -7.103 6.104 -5.964 268 2HD2 ASN 35 2HD2 ASN 35 -7.911 6.553 -7.423 269 H GLY 36 H GLY 36 -5.150 4.848 -6.994 270 1HA GLY 36 1HA GLY 36 -4.851 2.805 -5.226 271 2HA GLY 36 2HA GLY 36 -6.356 3.559 -4.728 272 H ASN 37 H ASN 37 -7.605 4.203 -7.001 273 HA ASN 37 HA ASN 37 -8.758 1.847 -7.859 274 1HB ASN 37 1HB ASN 37 -8.628 4.542 -9.206 275 2HB ASN 37 2HB ASN 37 -9.623 3.216 -9.800 276 1HD2 ASN 37 1HD2 ASN 37 -10.795 2.144 -7.717 277 2HD2 ASN 37 2HD2 ASN 37 -11.717 3.290 -6.815 278 H GLU 38 H GLU 38 -5.958 3.528 -9.133 279 HA GLU 38 HA GLU 38 -5.763 2.145 -11.572 280 1HB GLU 38 1HB GLU 38 -4.215 4.046 -10.161 281 2HB GLU 38 2HB GLU 38 -3.152 2.712 -10.559 282 1HG GLU 38 1HG GLU 38 -4.745 3.334 -12.837 283 2HG GLU 38 2HG GLU 38 -4.003 4.809 -12.228 284 H VAL 39 H VAL 39 -4.085 1.498 -8.442 285 HA VAL 39 HA VAL 39 -2.773 -0.828 -9.255 286 HB VAL 39 HB VAL 39 -3.965 -0.624 -6.511 287 1HG1 VAL 39 1HG1 VAL 39 -1.601 -1.931 -7.770 288 2HG1 VAL 39 2HG1 VAL 39 -2.752 -2.570 -6.599 289 3HG1 VAL 39 3HG1 VAL 39 -1.504 -1.441 -6.080 290 1HG2 VAL 39 1HG2 VAL 39 -2.281 1.319 -7.797 291 2HG2 VAL 39 2HG2 VAL 39 -1.465 0.592 -6.418 292 3HG2 VAL 39 3HG2 VAL 39 -3.040 1.356 -6.213 293 H LEU 40 H LEU 40 -6.090 -0.434 -8.098 294 HA LEU 40 HA LEU 40 -6.800 -3.072 -7.686 295 1HB LEU 40 1HB LEU 40 -8.600 -1.049 -9.003 296 2HB LEU 40 2HB LEU 40 -9.075 -2.414 -8.010 297 HG LEU 40 HG LEU 40 -7.702 0.106 -7.087 298 1HD1 LEU 40 1HD1 LEU 40 -10.466 -0.871 -7.117 299 2HD1 LEU 40 2HD1 LEU 40 -9.840 0.771 -7.042 300 3HD1 LEU 40 3HD1 LEU 40 -9.923 -0.200 -5.582 301 1HD2 LEU 40 1HD2 LEU 40 -7.693 -2.536 -5.934 302 2HD2 LEU 40 2HD2 LEU 40 -8.503 -1.383 -4.872 303 3HD2 LEU 40 3HD2 LEU 40 -6.851 -1.077 -5.411 304 H ALA 41 H ALA 41 -6.807 -1.251 -10.731 305 HA ALA 41 HA ALA 41 -7.837 -3.359 -12.314 306 1HB ALA 41 1HB ALA 41 -6.086 -1.157 -13.350 307 2HB ALA 41 2HB ALA 41 -7.759 -0.872 -12.867 308 3HB ALA 41 3HB ALA 41 -7.399 -1.998 -14.176 309 H ALA 42 H ALA 42 -4.581 -2.169 -11.771 310 HA ALA 42 HA ALA 42 -3.243 -4.002 -13.430 311 1HB ALA 42 1HB ALA 42 -2.512 -1.794 -12.016 312 2HB ALA 42 2HB ALA 42 -1.393 -2.894 -12.818 313 3HB ALA 42 3HB ALA 42 -1.729 -3.080 -11.097 314 H LEU 43 H LEU 43 -4.103 -4.120 -10.006 315 HA LEU 43 HA LEU 43 -2.638 -6.379 -9.281 316 1HB LEU 43 1HB LEU 43 -5.131 -5.112 -8.232 317 2HB LEU 43 2HB LEU 43 -4.599 -6.655 -7.587 318 HG LEU 43 HG LEU 43 -2.827 -4.226 -7.637 319 1HD1 LEU 43 1HD1 LEU 43 -4.712 -5.198 -5.511 320 2HD1 LEU 43 2HD1 LEU 43 -4.726 -3.631 -6.315 321 3HD1 LEU 43 3HD1 LEU 43 -3.410 -4.050 -5.219 322 1HD2 LEU 43 1HD2 LEU 43 -2.099 -5.831 -5.557 323 2HD2 LEU 43 2HD2 LEU 43 -1.350 -5.835 -7.152 324 3HD2 LEU 43 3HD2 LEU 43 -2.609 -7.007 -6.768 325 H ALA 44 H ALA 44 -5.565 -6.085 -11.087 326 HA ALA 44 HA ALA 44 -6.664 -8.625 -10.729 327 1HB ALA 44 1HB ALA 44 -7.511 -6.504 -12.037 328 2HB ALA 44 2HB ALA 44 -8.073 -8.121 -12.457 329 3HB ALA 44 3HB ALA 44 -6.807 -7.350 -13.414 330 H SER 45 H SER 45 -3.730 -7.753 -12.217 331 HA SER 45 HA SER 45 -3.590 -10.344 -13.550 332 1HB SER 45 1HB SER 45 -2.899 -7.674 -14.472 333 2HB SER 45 2HB SER 45 -1.567 -8.814 -14.662 334 HG SER 45 HG SER 45 -2.670 -9.876 -16.126 335 H LYS 46 H LYS 46 -2.375 -8.548 -10.970 336 HA LYS 46 HA LYS 46 -0.397 -10.548 -10.429 337 1HB LYS 46 1HB LYS 46 0.581 -8.625 -11.977 338 2HB LYS 46 2HB LYS 46 0.738 -7.798 -10.434 339 1HG LYS 46 1HG LYS 46 1.768 -10.339 -9.976 340 2HG LYS 46 2HG LYS 46 2.355 -9.893 -11.579 341 1HD LYS 46 1HD LYS 46 2.675 -7.589 -10.052 342 2HD LYS 46 2HD LYS 46 3.149 -8.904 -8.974 343 1HE LYS 46 1HE LYS 46 5.121 -8.302 -10.088 344 2HE LYS 46 2HE LYS 46 4.566 -9.759 -10.911 345 1HZ LYS 46 1HZ LYS 46 4.594 -6.983 -11.860 346 2HZ LYS 46 2HZ LYS 46 3.405 -8.031 -12.452 347 3HZ LYS 46 3HZ LYS 46 5.040 -8.401 -12.668 348 H THR 47 H THR 47 0.727 -10.153 -8.335 349 HA THR 47 HA THR 47 -0.726 -8.393 -6.537 350 HB THR 47 HB THR 47 -0.254 -11.337 -6.068 351 HG1 THR 47 HG1 THR 47 -2.409 -9.862 -6.897 352 1HG2 THR 47 1HG2 THR 47 0.087 -10.185 -3.977 353 2HG2 THR 47 2HG2 THR 47 -1.454 -11.045 -3.955 354 3HG2 THR 47 3HG2 THR 47 -1.424 -9.298 -4.191 355 HA PRO 48 HA PRO 48 3.586 -7.707 -5.455 356 1HB PRO 48 1HB PRO 48 3.205 -5.578 -3.863 357 2HB PRO 48 2HB PRO 48 3.057 -5.459 -5.622 358 1HG PRO 48 1HG PRO 48 0.901 -5.736 -3.558 359 2HG PRO 48 2HG PRO 48 0.970 -4.653 -4.960 360 1HD PRO 48 1HD PRO 48 -0.422 -6.986 -4.969 361 2HD PRO 48 2HD PRO 48 0.324 -6.300 -6.425 362 H ASP 49 H ASP 49 4.885 -7.905 -3.553 363 HA ASP 49 HA ASP 49 3.765 -9.653 -1.587 364 1HB ASP 49 1HB ASP 49 6.482 -8.333 -1.757 365 2HB ASP 49 2HB ASP 49 6.038 -9.543 -0.558 366 H VAL 50 H VAL 50 4.421 -6.245 -1.798 367 HA VAL 50 HA VAL 50 3.102 -5.860 0.774 368 HB VAL 50 HB VAL 50 5.450 -5.835 1.380 369 1HG1 VAL 50 1HG1 VAL 50 5.956 -4.961 -1.113 370 2HG1 VAL 50 2HG1 VAL 50 7.106 -4.849 0.219 371 3HG1 VAL 50 3HG1 VAL 50 6.120 -3.452 -0.215 372 1HG2 VAL 50 1HG2 VAL 50 3.733 -3.504 1.582 373 2HG2 VAL 50 2HG2 VAL 50 5.436 -3.104 1.759 374 3HG2 VAL 50 3HG2 VAL 50 4.700 -4.305 2.818 375 H LEU 51 H LEU 51 1.346 -4.877 -0.099 376 HA LEU 51 HA LEU 51 1.661 -2.823 -2.113 377 1HB LEU 51 1HB LEU 51 -0.167 -4.399 -2.333 378 2HB LEU 51 2HB LEU 51 -0.807 -3.915 -0.775 379 HG LEU 51 HG LEU 51 -1.225 -1.648 -1.670 380 1HD1 LEU 51 1HD1 LEU 51 -1.016 -2.414 -4.457 381 2HD1 LEU 51 2HD1 LEU 51 0.546 -2.393 -3.644 382 3HD1 LEU 51 3HD1 LEU 51 -0.468 -0.946 -3.642 383 1HD2 LEU 51 1HD2 LEU 51 -2.636 -3.223 -3.673 384 2HD2 LEU 51 2HD2 LEU 51 -3.265 -2.288 -2.318 385 3HD2 LEU 51 3HD2 LEU 51 -2.700 -3.935 -2.063 386 H LEU 52 H LEU 52 1.117 -0.706 -1.941 387 HA LEU 52 HA LEU 52 0.537 0.379 0.731 388 1HB LEU 52 1HB LEU 52 2.697 1.171 -1.200 389 2HB LEU 52 2HB LEU 52 2.061 2.326 -0.048 390 HG LEU 52 HG LEU 52 3.021 -0.265 1.026 391 1HD1 LEU 52 1HD1 LEU 52 4.747 1.741 -0.342 392 2HD1 LEU 52 2HD1 LEU 52 4.889 -0.016 -0.282 393 3HD1 LEU 52 3HD1 LEU 52 5.340 0.954 1.121 394 1HD2 LEU 52 1HD2 LEU 52 3.266 0.904 2.946 395 2HD2 LEU 52 2HD2 LEU 52 2.079 1.960 2.176 396 3HD2 LEU 52 3HD2 LEU 52 3.794 2.365 2.121 397 H SER 53 H SER 53 -1.421 1.395 0.511 398 HA SER 53 HA SER 53 -2.007 2.646 -2.089 399 1HB SER 53 1HB SER 53 -3.534 0.895 -0.407 400 2HB SER 53 2HB SER 53 -4.400 2.417 -0.616 401 HG SER 53 HG SER 53 -4.094 2.138 -2.896 402 H ASP 54 H ASP 54 -3.036 4.642 -2.234 403 HA ASP 54 HA ASP 54 -2.344 6.490 -0.131 404 1HB ASP 54 1HB ASP 54 -2.299 6.890 -2.726 405 2HB ASP 54 2HB ASP 54 -4.007 7.244 -2.514 406 H ILE 55 H ILE 55 -4.230 8.289 0.123 407 HA ILE 55 HA ILE 55 -6.832 7.141 0.381 408 HB ILE 55 HB ILE 55 -5.931 6.173 2.324 409 1HG1 ILE 55 1HG1 ILE 55 -7.081 8.599 3.619 410 2HG1 ILE 55 2HG1 ILE 55 -8.102 7.707 2.497 411 1HG2 ILE 55 1HG2 ILE 55 -4.594 8.806 2.682 412 2HG2 ILE 55 2HG2 ILE 55 -3.909 7.182 2.705 413 3HG2 ILE 55 3HG2 ILE 55 -4.864 7.755 4.068 414 1HD1 ILE 55 1HD1 ILE 55 -8.623 6.378 4.183 415 2HD1 ILE 55 2HD1 ILE 55 -7.389 7.097 5.213 416 3HD1 ILE 55 3HD1 ILE 55 -6.973 5.766 4.133 417 H ARG 56 H ARG 56 -6.976 9.043 -1.086 418 HA ARG 56 HA ARG 56 -8.260 11.188 0.127 419 1HB ARG 56 1HB ARG 56 -5.691 11.535 0.706 420 2HB ARG 56 2HB ARG 56 -5.657 12.214 -0.914 421 1HG ARG 56 1HG ARG 56 -7.852 13.199 0.747 422 2HG ARG 56 2HG ARG 56 -6.243 13.595 1.352 423 1HD ARG 56 1HD ARG 56 -5.682 14.473 -0.909 424 2HD ARG 56 2HD ARG 56 -7.358 14.201 -1.382 425 HE ARG 56 HE ARG 56 -8.003 16.014 -0.100 426 1HH1 ARG 56 1HH1 ARG 56 -4.619 15.321 0.426 427 2HH1 ARG 56 2HH1 ARG 56 -4.313 16.820 1.234 428 1HH2 ARG 56 1HH2 ARG 56 -7.598 17.979 0.966 429 2HH2 ARG 56 2HH2 ARG 56 -6.002 18.329 1.542 430 H MET 57 H MET 57 -9.266 9.971 -1.860 431 HA MET 57 HA MET 57 -9.282 11.857 -4.010 432 1HB MET 57 1HB MET 57 -7.339 9.959 -4.280 433 2HB MET 57 2HB MET 57 -8.673 9.216 -5.148 434 1HG MET 57 1HG MET 57 -7.471 10.412 -6.756 435 2HG MET 57 2HG MET 57 -8.893 11.394 -6.410 436 1HE MET 57 1HE MET 57 -5.436 11.065 -6.917 437 2HE MET 57 2HE MET 57 -4.831 11.291 -5.277 438 3HE MET 57 3HE MET 57 -4.677 12.591 -6.458 439 HA PRO 58 HA PRO 58 -12.464 8.329 -5.097 440 1HB PRO 58 1HB PRO 58 -12.702 6.384 -3.157 441 2HB PRO 58 2HB PRO 58 -11.753 6.214 -4.636 442 1HG PRO 58 1HG PRO 58 -10.847 6.967 -1.882 443 2HG PRO 58 2HG PRO 58 -10.089 5.867 -3.047 444 1HD PRO 58 1HD PRO 58 -9.157 8.336 -2.707 445 2HD PRO 58 2HD PRO 58 -9.233 7.610 -4.327 446 H GLY 59 H GLY 59 -14.559 7.499 -3.907 447 1HA GLY 59 1HA GLY 59 -15.837 9.674 -2.752 448 2HA GLY 59 2HA GLY 59 -16.395 8.012 -2.628 449 H MET 60 H MET 60 -15.067 6.679 -0.973 450 HA MET 60 HA MET 60 -15.342 7.978 1.562 451 1HB MET 60 1HB MET 60 -15.548 5.412 0.812 452 2HB MET 60 2HB MET 60 -13.873 5.397 1.342 453 1HG MET 60 1HG MET 60 -14.422 5.526 3.506 454 2HG MET 60 2HG MET 60 -15.717 6.685 3.213 455 1HE MET 60 1HE MET 60 -14.586 3.060 2.799 456 2HE MET 60 2HE MET 60 -15.995 2.120 3.288 457 3HE MET 60 3HE MET 60 -15.116 3.078 4.481 458 H ASP 61 H ASP 61 -13.653 9.587 0.382 459 HA ASP 61 HA ASP 61 -11.632 10.599 0.431 460 1HB ASP 61 1HB ASP 61 -12.071 9.477 3.031 461 2HB ASP 61 2HB ASP 61 -10.352 9.402 2.653 462 H GLY 62 H GLY 62 -10.654 7.496 1.836 463 1HA GLY 62 1HA GLY 62 -9.196 6.866 -0.620 464 2HA GLY 62 2HA GLY 62 -8.281 7.025 0.864 465 H LEU 63 H LEU 63 -10.362 5.847 2.538 466 HA LEU 63 HA LEU 63 -9.545 3.174 2.341 467 1HB LEU 63 1HB LEU 63 -12.047 4.004 3.777 468 2HB LEU 63 2HB LEU 63 -10.969 2.673 4.150 469 HG LEU 63 HG LEU 63 -9.260 4.716 4.471 470 1HD1 LEU 63 1HD1 LEU 63 -11.686 5.934 5.680 471 2HD1 LEU 63 2HD1 LEU 63 -11.366 6.214 3.970 472 3HD1 LEU 63 3HD1 LEU 63 -10.172 6.685 5.179 473 1HD2 LEU 63 1HD2 LEU 63 -9.940 4.618 6.933 474 2HD2 LEU 63 2HD2 LEU 63 -9.461 3.115 6.147 475 3HD2 LEU 63 3HD2 LEU 63 -11.167 3.463 6.409 476 H ALA 64 H ALA 64 -11.918 4.893 0.612 477 HA ALA 64 HA ALA 64 -13.848 2.955 0.082 478 1HB ALA 64 1HB ALA 64 -14.447 4.230 -1.791 479 2HB ALA 64 2HB ALA 64 -12.798 4.802 -2.038 480 3HB ALA 64 3HB ALA 64 -13.743 5.402 -0.680 481 H LEU 65 H LEU 65 -10.612 3.408 -1.172 482 HA LEU 65 HA LEU 65 -10.721 1.545 -3.283 483 1HB LEU 65 1HB LEU 65 -8.276 2.214 -1.650 484 2HB LEU 65 2HB LEU 65 -8.332 1.656 -3.312 485 HG LEU 65 HG LEU 65 -9.604 4.257 -2.572 486 1HD1 LEU 65 1HD1 LEU 65 -7.141 4.954 -3.562 487 2HD1 LEU 65 2HD1 LEU 65 -6.765 3.634 -2.454 488 3HD1 LEU 65 3HD1 LEU 65 -7.642 5.050 -1.874 489 1HD2 LEU 65 1HD2 LEU 65 -9.835 4.508 -4.772 490 2HD2 LEU 65 2HD2 LEU 65 -9.400 2.805 -4.915 491 3HD2 LEU 65 3HD2 LEU 65 -8.162 4.048 -5.079 492 H LEU 66 H LEU 66 -9.970 1.267 0.149 493 HA LEU 66 HA LEU 66 -8.989 -1.323 0.252 494 1HB LEU 66 1HB LEU 66 -10.592 0.336 2.160 495 2HB LEU 66 2HB LEU 66 -10.283 -1.344 2.533 496 HG LEU 66 HG LEU 66 -7.923 -0.980 2.620 497 1HD1 LEU 66 1HD1 LEU 66 -8.078 0.795 0.708 498 2HD1 LEU 66 2HD1 LEU 66 -6.785 0.872 1.897 499 3HD1 LEU 66 3HD1 LEU 66 -8.182 1.932 2.050 500 1HD2 LEU 66 1HD2 LEU 66 -9.188 1.369 4.006 501 2HD2 LEU 66 2HD2 LEU 66 -7.759 0.459 4.496 502 3HD2 LEU 66 3HD2 LEU 66 -9.350 -0.294 4.567 503 H LYS 67 H LYS 67 -12.348 -0.191 0.328 504 HA LYS 67 HA LYS 67 -13.667 -2.612 0.575 505 1HB LYS 67 1HB LYS 67 -14.589 -0.180 0.410 506 2HB LYS 67 2HB LYS 67 -14.664 -0.503 -1.316 507 1HG LYS 67 1HG LYS 67 -16.158 -2.360 -0.949 508 2HG LYS 67 2HG LYS 67 -16.012 -2.166 0.799 509 1HD LYS 67 1HD LYS 67 -16.772 0.334 -0.363 510 2HD LYS 67 2HD LYS 67 -17.857 -0.928 -0.949 511 1HE LYS 67 1HE LYS 67 -18.766 0.016 1.070 512 2HE LYS 67 2HE LYS 67 -18.233 -1.633 1.394 513 1HZ LYS 67 1HZ LYS 67 -16.398 -0.887 2.586 514 2HZ LYS 67 2HZ LYS 67 -17.633 0.159 3.077 515 3HZ LYS 67 3HZ LYS 67 -16.482 0.680 1.953 516 H GLN 68 H GLN 68 -12.392 -1.025 -2.324 517 HA GLN 68 HA GLN 68 -13.279 -2.971 -4.176 518 1HB GLN 68 1HB GLN 68 -10.874 -1.152 -4.381 519 2HB GLN 68 2HB GLN 68 -11.659 -1.978 -5.717 520 1HG GLN 68 1HG GLN 68 -12.992 0.097 -3.995 521 2HG GLN 68 2HG GLN 68 -12.195 0.443 -5.533 522 1HE2 GLN 68 1HE2 GLN 68 -13.895 1.026 -6.747 523 2HE2 GLN 68 2HE2 GLN 68 -15.246 0.009 -7.101 524 H ILE 69 H ILE 69 -10.430 -2.610 -2.173 525 HA ILE 69 HA ILE 69 -8.844 -4.617 -3.320 526 HB ILE 69 HB ILE 69 -8.867 -3.628 -0.471 527 1HG1 ILE 69 1HG1 ILE 69 -6.967 -2.880 -2.694 528 2HG1 ILE 69 2HG1 ILE 69 -8.411 -1.950 -2.326 529 1HG2 ILE 69 1HG2 ILE 69 -6.334 -4.462 -0.912 530 2HG2 ILE 69 2HG2 ILE 69 -7.240 -5.644 -1.853 531 3HG2 ILE 69 3HG2 ILE 69 -7.578 -5.440 -0.135 532 1HD1 ILE 69 1HD1 ILE 69 -7.233 -0.814 -0.848 533 2HD1 ILE 69 2HD1 ILE 69 -5.838 -1.862 -1.103 534 3HD1 ILE 69 3HD1 ILE 69 -7.053 -2.289 0.102 535 H LYS 70 H LYS 70 -11.146 -4.721 -0.660 536 HA LYS 70 HA LYS 70 -10.719 -7.425 -0.019 537 1HB LYS 70 1HB LYS 70 -12.770 -7.300 1.276 538 2HB LYS 70 2HB LYS 70 -11.786 -5.871 1.538 539 1HG LYS 70 1HG LYS 70 -13.225 -4.503 0.351 540 2HG LYS 70 2HG LYS 70 -13.981 -5.859 -0.488 541 1HD LYS 70 1HD LYS 70 -15.057 -6.569 1.557 542 2HD LYS 70 2HD LYS 70 -14.214 -5.317 2.471 543 1HE LYS 70 1HE LYS 70 -15.848 -3.885 2.026 544 2HE LYS 70 2HE LYS 70 -15.550 -4.071 0.298 545 1HZ LYS 70 1HZ LYS 70 -17.518 -5.438 2.000 546 2HZ LYS 70 2HZ LYS 70 -16.948 -6.213 0.609 547 3HZ LYS 70 3HZ LYS 70 -17.729 -4.717 0.484 548 H GLN 71 H GLN 71 -12.517 -5.903 -2.513 549 HA GLN 71 HA GLN 71 -14.200 -8.152 -3.054 550 1HB GLN 71 1HB GLN 71 -15.289 -6.285 -3.774 551 2HB GLN 71 2HB GLN 71 -13.800 -5.434 -4.137 552 1HG GLN 71 1HG GLN 71 -13.941 -7.442 -6.060 553 2HG GLN 71 2HG GLN 71 -15.595 -6.865 -5.887 554 1HE2 GLN 71 1HE2 GLN 71 -12.584 -5.065 -5.493 555 2HE2 GLN 71 2HE2 GLN 71 -12.877 -3.947 -6.779 556 H ARG 72 H ARG 72 -11.100 -6.999 -4.033 557 HA ARG 72 HA ARG 72 -10.887 -9.163 -6.009 558 1HB ARG 72 1HB ARG 72 -9.450 -6.528 -5.810 559 2HB ARG 72 2HB ARG 72 -8.923 -7.820 -6.879 560 1HG ARG 72 1HG ARG 72 -11.754 -7.127 -7.135 561 2HG ARG 72 2HG ARG 72 -10.639 -5.827 -7.561 562 1HD ARG 72 1HD ARG 72 -10.701 -6.860 -9.577 563 2HD ARG 72 2HD ARG 72 -9.444 -7.846 -8.838 564 HE ARG 72 HE ARG 72 -11.077 -9.550 -8.446 565 1HH1 ARG 72 1HH1 ARG 72 -12.192 -6.934 -10.484 566 2HH1 ARG 72 2HH1 ARG 72 -13.473 -7.865 -11.178 567 1HH2 ARG 72 1HH2 ARG 72 -12.766 -10.759 -9.359 568 2HH2 ARG 72 2HH2 ARG 72 -13.801 -10.029 -10.541 569 H HIS 73 H HIS 73 -8.545 -7.316 -4.149 570 HA HIS 73 HA HIS 73 -7.241 -9.844 -3.391 571 1HB HIS 73 1HB HIS 73 -5.156 -8.511 -3.198 572 2HB HIS 73 2HB HIS 73 -5.835 -8.479 -4.820 573 HD1 HIS 73 HD1 HIS 73 -4.384 -6.295 -2.438 574 HD2 HIS 73 HD2 HIS 73 -7.535 -5.973 -5.114 575 HE1 HIS 73 HE1 HIS 73 -4.778 -3.835 -2.711 576 HE2 HIS 73 HE2 HIS 73 -6.603 -3.663 -4.436 577 HA PRO 74 HA PRO 74 -8.943 -7.813 0.508 578 1HB PRO 74 1HB PRO 74 -9.874 -10.186 1.537 579 2HB PRO 74 2HB PRO 74 -10.845 -9.075 0.571 580 1HG PRO 74 1HG PRO 74 -9.427 -11.568 -0.266 581 2HG PRO 74 2HG PRO 74 -11.030 -10.974 -0.741 582 1HD PRO 74 1HD PRO 74 -8.892 -10.728 -2.353 583 2HD PRO 74 2HD PRO 74 -10.160 -9.488 -2.285 584 H MET 75 H MET 75 -7.086 -10.774 -0.037 585 HA MET 75 HA MET 75 -6.037 -10.693 2.662 586 1HB MET 75 1HB MET 75 -5.720 -12.590 0.359 587 2HB MET 75 2HB MET 75 -4.683 -12.704 1.775 588 1HG MET 75 1HG MET 75 -6.243 -13.801 2.888 589 2HG MET 75 2HG MET 75 -7.410 -12.510 2.609 590 1HE MET 75 1HE MET 75 -9.757 -13.979 2.080 591 2HE MET 75 2HE MET 75 -8.647 -14.908 3.087 592 3HE MET 75 3HE MET 75 -9.439 -15.674 1.711 593 H LEU 76 H LEU 76 -5.108 -9.549 -0.434 594 HA LEU 76 HA LEU 76 -2.312 -9.603 -0.202 595 1HB LEU 76 1HB LEU 76 -3.498 -9.168 -2.301 596 2HB LEU 76 2HB LEU 76 -4.070 -7.642 -1.661 597 HG LEU 76 HG LEU 76 -2.126 -7.597 -3.313 598 1HD1 LEU 76 1HD1 LEU 76 -1.755 -5.534 -2.564 599 2HD1 LEU 76 2HD1 LEU 76 -1.196 -6.110 -0.989 600 3HD1 LEU 76 3HD1 LEU 76 -2.924 -5.941 -1.303 601 1HD2 LEU 76 1HD2 LEU 76 -0.984 -9.329 -1.467 602 2HD2 LEU 76 2HD2 LEU 76 -0.159 -7.791 -1.211 603 3HD2 LEU 76 3HD2 LEU 76 -0.182 -8.526 -2.812 604 HA PRO 77 HA PRO 77 -1.790 -6.760 3.238 605 1HB PRO 77 1HB PRO 77 0.960 -6.688 2.098 606 2HB PRO 77 2HB PRO 77 0.437 -6.960 3.765 607 1HG PRO 77 1HG PRO 77 1.272 -8.992 2.276 608 2HG PRO 77 2HG PRO 77 -0.114 -9.183 3.367 609 1HD PRO 77 1HD PRO 77 -0.065 -8.848 0.400 610 2HD PRO 77 2HD PRO 77 -1.122 -9.863 1.402 611 H VAL 78 H VAL 78 -2.575 -4.782 2.999 612 HA VAL 78 HA VAL 78 -1.472 -2.981 0.961 613 HB VAL 78 HB VAL 78 -4.092 -2.504 2.352 614 1HG1 VAL 78 1HG1 VAL 78 -2.859 -0.760 0.968 615 2HG1 VAL 78 2HG1 VAL 78 -4.555 -1.046 0.581 616 3HG1 VAL 78 3HG1 VAL 78 -3.291 -1.736 -0.436 617 1HG2 VAL 78 1HG2 VAL 78 -4.196 -4.765 1.354 618 2HG2 VAL 78 2HG2 VAL 78 -3.781 -4.068 -0.211 619 3HG2 VAL 78 3HG2 VAL 78 -5.293 -3.624 0.580 620 H ILE 79 H ILE 79 -0.790 -0.961 1.602 621 HA ILE 79 HA ILE 79 -0.971 -0.347 4.473 622 HB ILE 79 HB ILE 79 1.476 0.118 2.784 623 1HG1 ILE 79 1HG1 ILE 79 1.810 -1.698 5.016 624 2HG1 ILE 79 2HG1 ILE 79 0.600 -2.296 3.886 625 1HG2 ILE 79 1HG2 ILE 79 1.588 0.169 5.724 626 2HG2 ILE 79 2HG2 ILE 79 0.711 1.494 4.966 627 3HG2 ILE 79 3HG2 ILE 79 2.396 1.199 4.545 628 1HD1 ILE 79 1HD1 ILE 79 2.349 -3.159 2.817 629 2HD1 ILE 79 2HD1 ILE 79 3.496 -2.073 3.600 630 3HD1 ILE 79 3HD1 ILE 79 2.577 -1.525 2.198 631 H ILE 80 H ILE 80 -2.063 1.473 4.703 632 HA ILE 80 HA ILE 80 -2.094 3.374 2.504 633 HB ILE 80 HB ILE 80 -3.749 3.462 5.019 634 1HG1 ILE 80 1HG1 ILE 80 -4.216 1.373 3.913 635 2HG1 ILE 80 2HG1 ILE 80 -5.541 2.477 3.560 636 1HG2 ILE 80 1HG2 ILE 80 -3.537 5.559 3.703 637 2HG2 ILE 80 2HG2 ILE 80 -5.183 4.943 3.794 638 3HG2 ILE 80 3HG2 ILE 80 -4.235 4.716 2.325 639 1HD1 ILE 80 1HD1 ILE 80 -5.212 1.687 1.475 640 2HD1 ILE 80 2HD1 ILE 80 -3.515 1.311 1.764 641 3HD1 ILE 80 3HD1 ILE 80 -4.008 2.971 1.437 642 H MET 81 H MET 81 -1.589 5.533 2.650 643 HA MET 81 HA MET 81 0.519 6.171 4.501 644 1HB MET 81 1HB MET 81 -0.031 8.524 3.141 645 2HB MET 81 2HB MET 81 1.188 7.334 2.723 646 1HG MET 81 1HG MET 81 -1.620 7.116 1.700 647 2HG MET 81 2HG MET 81 -0.420 8.130 0.906 648 1HE MET 81 1HE MET 81 2.288 5.563 -0.201 649 2HE MET 81 2HE MET 81 2.225 6.750 1.101 650 3HE MET 81 3HE MET 81 1.650 7.176 -0.509 651 H THR 82 H THR 82 -2.876 6.743 4.429 652 HA THR 82 HA THR 82 -2.643 8.252 6.899 653 HB THR 82 HB THR 82 -4.398 9.335 4.693 654 HG1 THR 82 HG1 THR 82 -2.689 10.182 3.862 655 1HG2 THR 82 1HG2 THR 82 -4.264 11.414 6.024 656 2HG2 THR 82 2HG2 THR 82 -3.439 10.501 7.287 657 3HG2 THR 82 3HG2 THR 82 -5.095 10.092 6.844 658 H ALA 83 H ALA 83 -4.686 8.339 8.106 659 HA ALA 83 HA ALA 83 -6.676 6.386 7.172 660 1HB ALA 83 1HB ALA 83 -6.229 6.327 10.062 661 2HB ALA 83 2HB ALA 83 -4.869 5.744 9.104 662 3HB ALA 83 3HB ALA 83 -6.463 5.007 8.915 663 H HIS 84 H HIS 84 -7.158 8.978 6.820 664 HA HIS 84 HA HIS 84 -8.723 9.927 9.108 665 1HB HIS 84 1HB HIS 84 -8.903 12.035 7.743 666 2HB HIS 84 2HB HIS 84 -7.262 11.595 8.205 667 HD1 HIS 84 HD1 HIS 84 -6.267 12.919 6.220 668 HD2 HIS 84 HD2 HIS 84 -8.834 9.852 5.099 669 HE1 HIS 84 HE1 HIS 84 -5.912 12.616 3.749 670 HE2 HIS 84 HE2 HIS 84 -7.401 10.686 3.114 671 H SER 85 H SER 85 -10.710 11.333 8.106 672 HA SER 85 HA SER 85 -12.768 11.310 7.143 673 1HB SER 85 1HB SER 85 -11.488 10.793 5.041 674 2HB SER 85 2HB SER 85 -11.780 9.084 5.351 675 HG SER 85 HG SER 85 -13.337 10.606 4.029 676 H ASP 86 H ASP 86 -11.979 7.860 6.750 677 HA ASP 86 HA ASP 86 -13.849 7.226 8.913 678 1HB ASP 86 1HB ASP 86 -14.097 6.449 6.039 679 2HB ASP 86 2HB ASP 86 -14.613 5.300 7.269 680 H LEU 87 H LEU 87 -11.791 6.790 9.977 681 HA LEU 87 HA LEU 87 -9.879 4.967 9.193 682 1HB LEU 87 1HB LEU 87 -9.737 6.444 11.166 683 2HB LEU 87 2HB LEU 87 -10.905 5.436 11.991 684 HG LEU 87 HG LEU 87 -8.493 5.112 12.649 685 1HD1 LEU 87 1HD1 LEU 87 -9.140 3.135 13.410 686 2HD1 LEU 87 2HD1 LEU 87 -9.156 2.447 11.787 687 3HD1 LEU 87 3HD1 LEU 87 -10.577 3.290 12.401 688 1HD2 LEU 87 1HD2 LEU 87 -7.777 3.245 10.645 689 2HD2 LEU 87 2HD2 LEU 87 -6.958 4.737 11.102 690 3HD2 LEU 87 3HD2 LEU 87 -8.192 4.761 9.846 691 H ASP 88 H ASP 88 -13.120 4.343 10.162 692 HA ASP 88 HA ASP 88 -13.055 1.833 11.235 693 1HB ASP 88 1HB ASP 88 -15.289 1.510 10.088 694 2HB ASP 88 2HB ASP 88 -15.126 2.955 11.080 695 H ALA 89 H ALA 89 -13.336 2.518 7.734 696 HA ALA 89 HA ALA 89 -13.142 -0.164 6.929 697 1HB ALA 89 1HB ALA 89 -12.659 0.751 4.678 698 2HB ALA 89 2HB ALA 89 -12.538 2.359 5.398 699 3HB ALA 89 3HB ALA 89 -14.068 1.483 5.447 700 H ALA 90 H ALA 90 -10.708 2.103 7.849 701 HA ALA 90 HA ALA 90 -8.493 1.111 6.482 702 1HB ALA 90 1HB ALA 90 -7.169 2.019 8.435 703 2HB ALA 90 2HB ALA 90 -8.712 2.444 9.166 704 3HB ALA 90 3HB ALA 90 -8.243 3.162 7.629 705 H VAL 91 H VAL 91 -9.330 0.383 9.878 706 HA VAL 91 HA VAL 91 -7.472 -1.645 10.226 707 HB VAL 91 HB VAL 91 -10.156 -1.616 11.590 708 1HG1 VAL 91 1HG1 VAL 91 -7.649 -3.055 11.933 709 2HG1 VAL 91 2HG1 VAL 91 -9.249 -3.395 12.595 710 3HG1 VAL 91 3HG1 VAL 91 -8.181 -2.251 13.410 711 1HG2 VAL 91 1HG2 VAL 91 -7.775 0.162 11.959 712 2HG2 VAL 91 2HG2 VAL 91 -8.819 -0.233 13.325 713 3HG2 VAL 91 3HG2 VAL 91 -9.486 0.582 11.911 714 H SER 92 H SER 92 -10.767 -1.826 8.975 715 HA SER 92 HA SER 92 -11.017 -4.616 8.981 716 1HB SER 92 1HB SER 92 -12.252 -2.953 6.807 717 2HB SER 92 2HB SER 92 -12.917 -4.352 7.655 718 HG SER 92 HG SER 92 -12.696 -1.684 8.525 719 H ALA 93 H ALA 93 -9.451 -2.432 6.731 720 HA ALA 93 HA ALA 93 -9.100 -4.297 4.644 721 1HB ALA 93 1HB ALA 93 -7.829 -1.681 5.310 722 2HB ALA 93 2HB ALA 93 -8.893 -2.093 3.965 723 3HB ALA 93 3HB ALA 93 -7.225 -2.665 3.977 724 H TYR 94 H TYR 94 -7.009 -3.245 7.277 725 HA TYR 94 HA TYR 94 -4.924 -5.088 6.578 726 1HB TYR 94 1HB TYR 94 -3.726 -3.713 7.831 727 2HB TYR 94 2HB TYR 94 -5.189 -2.800 8.177 728 HD1 TYR 94 HD1 TYR 94 -6.049 -2.728 10.295 729 HD2 TYR 94 HD2 TYR 94 -3.194 -5.669 9.283 730 HE1 TYR 94 HE1 TYR 94 -5.859 -3.328 12.684 731 HE2 TYR 94 HE2 TYR 94 -2.974 -6.306 11.662 732 HH TYR 94 HH TYR 94 -4.682 -6.074 13.789 733 H GLN 95 H GLN 95 -7.784 -5.142 8.423 734 HA GLN 95 HA GLN 95 -7.117 -7.396 10.058 735 1HB GLN 95 1HB GLN 95 -8.799 -6.110 11.001 736 2HB GLN 95 2HB GLN 95 -9.573 -5.804 9.457 737 1HG GLN 95 1HG GLN 95 -9.863 -8.545 9.856 738 2HG GLN 95 2HG GLN 95 -10.134 -7.821 11.437 739 1HE2 GLN 95 1HE2 GLN 95 -10.875 -6.786 8.121 740 2HE2 GLN 95 2HE2 GLN 95 -12.562 -6.527 8.394 741 H GLN 96 H GLN 96 -8.589 -6.892 6.912 742 HA GLN 96 HA GLN 96 -9.385 -9.638 6.626 743 1HB GLN 96 1HB GLN 96 -10.011 -8.989 4.322 744 2HB GLN 96 2HB GLN 96 -10.749 -7.962 5.547 745 1HG GLN 96 1HG GLN 96 -8.886 -6.327 5.125 746 2HG GLN 96 2HG GLN 96 -8.438 -7.315 3.739 747 1HE2 GLN 96 1HE2 GLN 96 -8.855 -5.156 2.725 748 2HE2 GLN 96 2HE2 GLN 96 -10.461 -4.836 2.179 749 H GLY 97 H GLY 97 -6.538 -7.817 6.065 750 1HA GLY 97 1HA GLY 97 -4.873 -9.898 5.534 751 2HA GLY 97 2HA GLY 97 -5.532 -9.500 3.958 752 H ALA 98 H ALA 98 -5.677 -6.582 4.764 753 HA ALA 98 HA ALA 98 -3.224 -5.847 3.655 754 1HB ALA 98 1HB ALA 98 -3.839 -3.598 3.942 755 2HB ALA 98 2HB ALA 98 -4.869 -3.963 5.318 756 3HB ALA 98 3HB ALA 98 -5.355 -4.465 3.703 757 H PHE 99 H PHE 99 -1.545 -4.430 4.701 758 HA PHE 99 HA PHE 99 -0.538 -5.800 6.979 759 1HB PHE 99 1HB PHE 99 0.903 -4.907 5.164 760 2HB PHE 99 2HB PHE 99 0.526 -3.275 5.712 761 HD1 PHE 99 HD1 PHE 99 1.507 -6.452 7.406 762 HD2 PHE 99 HD2 PHE 99 2.286 -2.311 6.816 763 HE1 PHE 99 HE1 PHE 99 3.351 -6.572 9.028 764 HE2 PHE 99 HE2 PHE 99 4.134 -2.423 8.437 765 HZ PHE 99 HZ PHE 99 4.670 -4.556 9.545 766 H ASP 100 H ASP 100 -1.478 -2.381 6.498 767 HA ASP 100 HA ASP 100 -2.877 -2.025 8.845 768 1HB ASP 100 1HB ASP 100 -0.234 -2.503 9.536 769 2HB ASP 100 2HB ASP 100 -0.334 -0.747 9.560 770 H TYR 101 H TYR 101 -1.843 0.538 9.671 771 HA TYR 101 HA TYR 101 -2.070 2.122 7.203 772 1HB TYR 101 1HB TYR 101 -3.790 2.149 9.599 773 2HB TYR 101 2HB TYR 101 -3.274 3.738 9.043 774 HD1 TYR 101 HD1 TYR 101 -4.739 0.570 7.711 775 HD2 TYR 101 HD2 TYR 101 -4.531 4.807 7.434 776 HE1 TYR 101 HE1 TYR 101 -6.501 0.537 6.000 777 HE2 TYR 101 HE2 TYR 101 -6.302 4.787 5.730 778 HH TYR 101 HH TYR 101 -7.361 3.382 4.194 779 H LEU 102 H LEU 102 -0.433 3.484 6.961 780 HA LEU 102 HA LEU 102 1.184 4.205 9.308 781 1HB LEU 102 1HB LEU 102 2.482 3.104 7.635 782 2HB LEU 102 2HB LEU 102 1.796 4.087 6.358 783 HG LEU 102 HG LEU 102 2.969 6.029 7.797 784 1HD1 LEU 102 1HD1 LEU 102 5.114 5.287 8.631 785 2HD1 LEU 102 2HD1 LEU 102 4.727 3.618 8.214 786 3HD1 LEU 102 3HD1 LEU 102 3.814 4.446 9.476 787 1HD2 LEU 102 1HD2 LEU 102 3.258 5.181 5.348 788 2HD2 LEU 102 2HD2 LEU 102 4.711 4.408 5.982 789 3HD2 LEU 102 3HD2 LEU 102 4.523 6.157 6.091 790 HA PRO 103 HA PRO 103 -0.396 8.360 9.293 791 1HB PRO 103 1HB PRO 103 2.446 9.090 9.839 792 2HB PRO 103 2HB PRO 103 0.978 9.567 10.699 793 1HG PRO 103 1HG PRO 103 2.601 7.727 11.724 794 2HG PRO 103 2HG PRO 103 0.842 7.556 11.851 795 1HD PRO 103 1HD PRO 103 2.762 6.137 10.060 796 2HD PRO 103 2HD PRO 103 1.283 5.535 10.836 797 H LYS 104 H LYS 104 0.043 10.492 8.212 798 HA LYS 104 HA LYS 104 0.259 10.292 5.514 799 1HB LYS 104 1HB LYS 104 -0.163 12.373 7.188 800 2HB LYS 104 2HB LYS 104 1.420 12.794 6.545 801 1HG LYS 104 1HG LYS 104 -1.106 12.300 4.983 802 2HG LYS 104 2HG LYS 104 -0.253 13.831 5.189 803 1HD LYS 104 1HD LYS 104 0.632 13.302 3.179 804 2HD LYS 104 2HD LYS 104 1.726 12.316 4.150 805 1HE LYS 104 1HE LYS 104 0.664 10.345 3.582 806 2HE LYS 104 2HE LYS 104 -0.865 11.148 3.230 807 1HZ LYS 104 1HZ LYS 104 0.439 10.282 1.256 808 2HZ LYS 104 2HZ LYS 104 1.543 11.534 1.547 809 3HZ LYS 104 3HZ LYS 104 -0.063 11.898 1.169 810 HA PRO 105 HA PRO 105 5.101 11.405 5.887 811 1HB PRO 105 1HB PRO 105 6.053 9.548 7.802 812 2HB PRO 105 2HB PRO 105 6.066 11.307 7.940 813 1HG PRO 105 1HG PRO 105 4.147 9.331 9.048 814 2HG PRO 105 2HG PRO 105 4.660 10.895 9.707 815 1HD PRO 105 1HD PRO 105 2.250 10.585 8.604 816 2HD PRO 105 2HD PRO 105 3.168 12.082 8.375 817 H PHE 106 H PHE 106 6.742 9.896 4.997 818 HA PHE 106 HA PHE 106 6.060 7.152 4.649 819 1HB PHE 106 1HB PHE 106 4.465 8.577 3.165 820 2HB PHE 106 2HB PHE 106 5.860 8.754 2.117 821 HD1 PHE 106 HD1 PHE 106 3.434 6.380 3.530 822 HD2 PHE 106 HD2 PHE 106 6.640 6.953 0.781 823 HE1 PHE 106 HE1 PHE 106 2.903 4.230 2.459 824 HE2 PHE 106 HE2 PHE 106 6.111 4.805 -0.293 825 HZ PHE 106 HZ PHE 106 4.240 3.441 0.544 826 H ASP 107 H ASP 107 7.468 8.924 1.959 827 HA ASP 107 HA ASP 107 9.505 8.632 0.960 828 1HB ASP 107 1HB ASP 107 11.370 9.491 2.281 829 2HB ASP 107 2HB ASP 107 9.932 10.471 2.548 830 H ILE 108 H ILE 108 11.917 7.677 1.628 831 HA ILE 108 HA ILE 108 11.494 4.888 1.665 832 HB ILE 108 HB ILE 108 13.821 6.657 1.457 833 1HG1 ILE 108 1HG1 ILE 108 14.276 5.418 -0.489 834 2HG1 ILE 108 2HG1 ILE 108 13.309 4.053 0.058 835 1HG2 ILE 108 1HG2 ILE 108 14.495 5.105 3.294 836 2HG2 ILE 108 2HG2 ILE 108 15.493 5.003 1.848 837 3HG2 ILE 108 3HG2 ILE 108 14.277 3.773 2.162 838 1HD1 ILE 108 1HD1 ILE 108 12.192 5.271 -1.710 839 2HD1 ILE 108 2HD1 ILE 108 12.262 6.746 -0.758 840 3HD1 ILE 108 3HD1 ILE 108 11.288 5.395 -0.207 841 H ASP 109 H ASP 109 12.843 7.085 4.022 842 HA ASP 109 HA ASP 109 13.605 5.287 5.945 843 1HB ASP 109 1HB ASP 109 12.636 8.116 6.080 844 2HB ASP 109 2HB ASP 109 12.925 7.231 7.574 845 H GLU 110 H GLU 110 10.427 6.925 5.822 846 HA GLU 110 HA GLU 110 9.402 5.263 7.888 847 1HB GLU 110 1HB GLU 110 7.875 7.170 6.121 848 2HB GLU 110 2HB GLU 110 7.345 6.508 7.659 849 1HG GLU 110 1HG GLU 110 9.901 7.957 7.714 850 2HG GLU 110 2HG GLU 110 8.474 8.928 7.354 851 H ALA 111 H ALA 111 9.286 5.152 4.396 852 HA ALA 111 HA ALA 111 7.118 3.251 4.427 853 1HB ALA 111 1HB ALA 111 7.434 3.136 1.992 854 2HB ALA 111 2HB ALA 111 8.817 4.212 2.143 855 3HB ALA 111 3HB ALA 111 7.205 4.783 2.578 856 H VAL 112 H VAL 112 10.556 3.163 3.463 857 HA VAL 112 HA VAL 112 10.661 0.410 3.018 858 HB VAL 112 HB VAL 112 12.926 2.108 4.041 859 1HG1 VAL 112 1HG1 VAL 112 14.220 0.306 3.820 860 2HG1 VAL 112 2HG1 VAL 112 13.592 -0.021 2.204 861 3HG1 VAL 112 3HG1 VAL 112 12.744 -0.642 3.622 862 1HG2 VAL 112 1HG2 VAL 112 11.608 1.917 1.407 863 2HG2 VAL 112 2HG2 VAL 112 13.373 1.895 1.396 864 3HG2 VAL 112 3HG2 VAL 112 12.511 3.244 2.133 865 H ALA 113 H ALA 113 10.829 2.297 5.911 866 HA ALA 113 HA ALA 113 11.832 0.384 7.702 867 1HB ALA 113 1HB ALA 113 9.896 1.903 9.061 868 2HB ALA 113 2HB ALA 113 10.575 2.963 7.832 869 3HB ALA 113 3HB ALA 113 11.636 2.186 9.010 870 H LEU 114 H LEU 114 8.531 1.319 6.916 871 HA LEU 114 HA LEU 114 7.320 -0.797 8.361 872 1HB LEU 114 1HB LEU 114 6.297 1.416 7.986 873 2HB LEU 114 2HB LEU 114 6.136 1.021 6.286 874 HG LEU 114 HG LEU 114 4.796 -1.048 7.222 875 1HD1 LEU 114 1HD1 LEU 114 4.918 0.866 9.499 876 2HD1 LEU 114 2HD1 LEU 114 4.889 -0.898 9.507 877 3HD1 LEU 114 3HD1 LEU 114 3.408 0.008 9.194 878 1HD2 LEU 114 1HD2 LEU 114 3.706 0.377 5.758 879 2HD2 LEU 114 2HD2 LEU 114 3.900 1.776 6.814 880 3HD2 LEU 114 3HD2 LEU 114 2.744 0.511 7.229 881 H VAL 115 H VAL 115 8.552 -0.582 5.133 882 HA VAL 115 HA VAL 115 6.807 -2.613 4.103 883 HB VAL 115 HB VAL 115 7.891 -0.821 2.677 884 1HG1 VAL 115 1HG1 VAL 115 10.196 -1.250 3.608 885 2HG1 VAL 115 2HG1 VAL 115 10.090 -1.120 1.857 886 3HG1 VAL 115 3HG1 VAL 115 10.235 -2.703 2.619 887 1HG2 VAL 115 1HG2 VAL 115 7.054 -2.138 1.093 888 2HG2 VAL 115 2HG2 VAL 115 7.283 -3.561 2.111 889 3HG2 VAL 115 3HG2 VAL 115 8.585 -3.014 1.056 890 H GLU 116 H GLU 116 10.263 -2.558 4.976 891 HA GLU 116 HA GLU 116 10.656 -5.303 4.417 892 1HB GLU 116 1HB GLU 116 12.243 -3.337 6.065 893 2HB GLU 116 2HB GLU 116 12.765 -4.991 5.776 894 1HG GLU 116 1HG GLU 116 12.393 -4.319 3.258 895 2HG GLU 116 2HG GLU 116 12.612 -2.691 3.898 896 H ARG 117 H ARG 117 9.825 -3.529 7.363 897 HA ARG 117 HA ARG 117 10.069 -5.732 9.115 898 1HB ARG 117 1HB ARG 117 8.878 -4.406 10.733 899 2HB ARG 117 2HB ARG 117 9.988 -3.358 9.863 900 1HG ARG 117 1HG ARG 117 8.334 -2.119 8.992 901 2HG ARG 117 2HG ARG 117 7.281 -3.505 8.731 902 1HD ARG 117 1HD ARG 117 6.375 -1.918 10.386 903 2HD ARG 117 2HD ARG 117 6.661 -3.519 11.063 904 HE ARG 117 HE ARG 117 8.361 -2.651 12.375 905 1HH1 ARG 117 1HH1 ARG 117 7.159 -0.203 10.192 906 2HH1 ARG 117 2HH1 ARG 117 7.946 1.095 11.021 907 1HH2 ARG 117 1HH2 ARG 117 9.390 -0.939 13.464 908 2HH2 ARG 117 2HH2 ARG 117 9.210 0.680 12.875 909 H ALA 118 H ALA 118 7.627 -4.731 6.902 910 HA ALA 118 HA ALA 118 5.468 -6.195 8.019 911 1HB ALA 118 1HB ALA 118 5.824 -5.254 5.178 912 2HB ALA 118 2HB ALA 118 5.155 -4.285 6.493 913 3HB ALA 118 3HB ALA 118 4.311 -5.736 5.947 914 H ILE 119 H ILE 119 7.631 -6.811 5.255 915 HA ILE 119 HA ILE 119 6.601 -9.364 4.662 916 HB ILE 119 HB ILE 119 9.400 -8.391 4.109 917 1HG1 ILE 119 1HG1 ILE 119 7.318 -8.184 2.017 918 2HG1 ILE 119 2HG1 ILE 119 7.184 -7.039 3.348 919 1HG2 ILE 119 1HG2 ILE 119 9.114 -9.874 2.092 920 2HG2 ILE 119 2HG2 ILE 119 7.671 -10.517 2.878 921 3HG2 ILE 119 3HG2 ILE 119 9.249 -10.700 3.645 922 1HD1 ILE 119 1HD1 ILE 119 9.674 -7.444 1.720 923 2HD1 ILE 119 2HD1 ILE 119 9.367 -6.185 2.918 924 3HD1 ILE 119 3HD1 ILE 119 8.464 -6.200 1.402 925 H SER 120 H SER 120 9.009 -8.228 6.883 926 HA SER 120 HA SER 120 10.175 -10.751 7.464 927 1HB SER 120 1HB SER 120 10.268 -8.033 8.716 928 2HB SER 120 2HB SER 120 10.884 -9.415 9.620 929 HG SER 120 HG SER 120 11.948 -9.712 7.303 930 H HIS 121 H HIS 121 7.647 -8.794 8.976 931 HA HIS 121 HA HIS 121 7.227 -10.518 11.183 932 1HB HIS 121 1HB HIS 121 5.651 -8.297 9.926 933 2HB HIS 121 2HB HIS 121 4.929 -9.282 11.194 934 HD1 HIS 121 HD1 HIS 121 8.554 -8.311 11.280 935 HD2 HIS 121 HD2 HIS 121 4.965 -7.243 13.083 936 HE1 HIS 121 HE1 HIS 121 9.184 -6.802 13.190 937 HE2 HIS 121 HE2 HIS 121 6.991 -6.101 14.214 938 H TYR 122 H TYR 122 6.042 -10.445 7.929 939 HA TYR 122 HA TYR 122 3.891 -12.268 8.330 940 1HB TYR 122 1HB TYR 122 5.244 -11.063 5.955 941 2HB TYR 122 2HB TYR 122 4.216 -12.472 5.718 942 HD1 TYR 122 HD1 TYR 122 4.161 -9.139 5.301 943 HD2 TYR 122 HD2 TYR 122 1.953 -12.119 7.387 944 HE1 TYR 122 HE1 TYR 122 2.179 -7.684 5.274 945 HE2 TYR 122 HE2 TYR 122 -0.034 -10.670 7.365 946 HH TYR 122 HH TYR 122 -0.680 -8.463 5.525 947 H GLN 123 H GLN 123 7.164 -12.543 6.995 948 HA GLN 123 HA GLN 123 6.969 -15.365 6.620 949 1HB GLN 123 1HB GLN 123 8.942 -13.264 6.106 950 2HB GLN 123 2HB GLN 123 9.654 -14.805 6.564 951 1HG GLN 123 1HG GLN 123 8.655 -15.918 4.740 952 2HG GLN 123 2HG GLN 123 7.602 -14.549 4.390 953 1HE2 GLN 123 1HE2 GLN 123 8.820 -15.340 2.280 954 2HE2 GLN 123 2HE2 GLN 123 10.190 -14.371 1.869 955 H GLU 124 H GLU 124 8.395 -16.928 7.674 956 HA GLU 124 HA GLU 124 9.222 -16.175 10.385 957 1HB GLU 124 1HB GLU 124 7.599 -18.644 9.752 958 2HB GLU 124 2HB GLU 124 8.183 -18.156 11.337 959 1HG GLU 124 1HG GLU 124 6.625 -16.055 10.134 960 2HG GLU 124 2HG GLU 124 5.720 -17.567 10.177 Start of MODEL 21 1 1H MET 1 1H MET 1 12.622 -16.008 -2.246 2 2H MET 1 2H MET 1 11.902 -16.738 -0.869 3 3H MET 1 3H MET 1 13.558 -16.287 -0.838 4 HA MET 1 HA MET 1 11.887 -14.822 0.323 5 1HB MET 1 1HB MET 1 13.222 -12.862 -0.286 6 2HB MET 1 2HB MET 1 14.245 -14.279 -0.101 7 1HG MET 1 1HG MET 1 13.708 -14.386 -2.750 8 2HG MET 1 2HG MET 1 13.682 -12.646 -2.473 9 1HE MET 1 1HE MET 1 15.259 -11.386 -2.881 10 2HE MET 1 2HE MET 1 16.954 -11.752 -3.204 11 3HE MET 1 3HE MET 1 16.439 -11.324 -1.572 12 H GLN 2 H GLN 2 10.598 -15.881 -2.243 13 HA GLN 2 HA GLN 2 8.926 -15.294 -3.665 14 1HB GLN 2 1HB GLN 2 8.634 -13.390 -1.393 15 2HB GLN 2 2HB GLN 2 7.695 -13.081 -2.847 16 1HG GLN 2 1HG GLN 2 6.314 -14.335 -1.410 17 2HG GLN 2 2HG GLN 2 6.849 -15.440 -2.675 18 1HE2 GLN 2 1HE2 GLN 2 8.302 -14.273 0.347 19 2HE2 GLN 2 2HE2 GLN 2 8.615 -15.841 1.001 20 H ARG 3 H ARG 3 8.094 -13.494 -5.126 21 HA ARG 3 HA ARG 3 10.253 -12.427 -6.577 22 1HB ARG 3 1HB ARG 3 8.127 -12.995 -7.630 23 2HB ARG 3 2HB ARG 3 7.313 -11.748 -6.701 24 1HG ARG 3 1HG ARG 3 7.594 -10.560 -8.590 25 2HG ARG 3 2HG ARG 3 9.194 -10.259 -7.911 26 1HD ARG 3 1HD ARG 3 8.595 -12.575 -9.732 27 2HD ARG 3 2HD ARG 3 9.126 -11.003 -10.327 28 HE ARG 3 HE ARG 3 11.060 -11.503 -8.615 29 1HH1 ARG 3 1HH1 ARG 3 9.550 -13.687 -10.888 30 2HH1 ARG 3 2HH1 ARG 3 10.962 -14.669 -11.067 31 1HH2 ARG 3 1HH2 ARG 3 12.913 -12.794 -8.859 32 2HH2 ARG 3 2HH2 ARG 3 12.871 -14.164 -9.917 33 H GLY 4 H GLY 4 8.469 -11.224 -3.900 34 1HA GLY 4 1HA GLY 4 8.586 -9.270 -2.706 35 2HA GLY 4 2HA GLY 4 10.205 -9.115 -3.368 36 H ILE 5 H ILE 5 6.794 -8.499 -4.087 37 HA ILE 5 HA ILE 5 7.631 -6.292 -5.855 38 HB ILE 5 HB ILE 5 4.910 -7.575 -5.777 39 1HG1 ILE 5 1HG1 ILE 5 5.965 -8.425 -8.123 40 2HG1 ILE 5 2HG1 ILE 5 7.397 -8.453 -7.098 41 1HG2 ILE 5 1HG2 ILE 5 5.911 -5.252 -7.021 42 2HG2 ILE 5 2HG2 ILE 5 4.314 -5.978 -7.188 43 3HG2 ILE 5 3HG2 ILE 5 5.610 -6.438 -8.291 44 1HD1 ILE 5 1HD1 ILE 5 6.571 -10.110 -5.758 45 2HD1 ILE 5 2HD1 ILE 5 5.852 -10.546 -7.309 46 3HD1 ILE 5 3HD1 ILE 5 4.890 -9.699 -6.098 47 H VAL 6 H VAL 6 7.518 -4.366 -4.886 48 HA VAL 6 HA VAL 6 5.449 -3.938 -2.836 49 HB VAL 6 HB VAL 6 7.693 -3.507 -2.003 50 1HG1 VAL 6 1HG1 VAL 6 8.318 -2.698 -4.520 51 2HG1 VAL 6 2HG1 VAL 6 9.313 -2.410 -3.096 52 3HG1 VAL 6 3HG1 VAL 6 8.215 -1.157 -3.673 53 1HG2 VAL 6 1HG2 VAL 6 5.610 -1.940 -1.585 54 2HG2 VAL 6 2HG2 VAL 6 6.648 -0.749 -2.370 55 3HG2 VAL 6 3HG2 VAL 6 7.195 -1.569 -0.907 56 H TRP 7 H TRP 7 3.685 -2.891 -3.528 57 HA TRP 7 HA TRP 7 3.996 -1.013 -5.769 58 1HB TRP 7 1HB TRP 7 1.739 -2.790 -4.924 59 2HB TRP 7 2HB TRP 7 1.434 -1.382 -5.941 60 HD1 TRP 7 HD1 TRP 7 4.749 -2.860 -6.696 61 HE1 TRP 7 HE1 TRP 7 4.660 -4.203 -8.882 62 HE3 TRP 7 HE3 TRP 7 -0.319 -3.097 -7.284 63 HZ2 TRP 7 HZ2 TRP 7 2.695 -5.247 -10.621 64 HZ3 TRP 7 HZ3 TRP 7 -1.225 -4.288 -9.236 65 HH2 TRP 7 HH2 TRP 7 0.253 -5.342 -10.870 66 H VAL 8 H VAL 8 2.939 0.993 -5.748 67 HA VAL 8 HA VAL 8 1.930 1.892 -3.131 68 HB VAL 8 HB VAL 8 3.679 3.767 -4.634 69 1HG1 VAL 8 1HG1 VAL 8 2.829 4.749 -2.744 70 2HG1 VAL 8 2HG1 VAL 8 4.395 4.176 -2.171 71 3HG1 VAL 8 3HG1 VAL 8 2.933 3.271 -1.795 72 1HG2 VAL 8 1HG2 VAL 8 5.487 2.477 -4.641 73 2HG2 VAL 8 2HG2 VAL 8 4.665 1.202 -3.749 74 3HG2 VAL 8 3HG2 VAL 8 5.440 2.516 -2.883 75 H VAL 9 H VAL 9 0.538 3.652 -3.161 76 HA VAL 9 HA VAL 9 -0.146 4.789 -5.773 77 HB VAL 9 HB VAL 9 -2.535 4.547 -4.122 78 1HG1 VAL 9 1HG1 VAL 9 -2.939 5.138 -6.307 79 2HG1 VAL 9 2HG1 VAL 9 -3.217 3.396 -6.406 80 3HG1 VAL 9 3HG1 VAL 9 -1.681 4.082 -6.935 81 1HG2 VAL 9 1HG2 VAL 9 -1.896 2.452 -3.355 82 2HG2 VAL 9 2HG2 VAL 9 -1.014 2.068 -4.821 83 3HG2 VAL 9 3HG2 VAL 9 -2.778 2.060 -4.822 84 H ASP 10 H ASP 10 0.075 6.901 -5.684 85 HA ASP 10 HA ASP 10 -1.097 8.592 -3.758 86 1HB ASP 10 1HB ASP 10 1.010 7.529 -2.564 87 2HB ASP 10 2HB ASP 10 1.881 8.735 -3.508 88 H ASP 11 H ASP 11 0.988 10.646 -3.999 89 HA ASP 11 HA ASP 11 0.106 11.812 -6.404 90 1HB ASP 11 1HB ASP 11 0.954 12.985 -4.298 91 2HB ASP 11 2HB ASP 11 2.576 12.656 -4.897 92 H ASP 12 H ASP 12 2.283 9.335 -6.054 93 HA ASP 12 HA ASP 12 3.840 8.385 -7.407 94 1HB ASP 12 1HB ASP 12 1.786 9.108 -8.980 95 2HB ASP 12 2HB ASP 12 3.053 10.065 -9.732 96 H SER 13 H SER 13 4.819 10.094 -9.853 97 HA SER 13 HA SER 13 6.873 11.000 -10.239 98 1HB SER 13 1HB SER 13 6.742 13.368 -9.912 99 2HB SER 13 2HB SER 13 5.124 12.741 -10.245 100 HG SER 13 HG SER 13 4.868 12.708 -7.888 101 H SER 14 H SER 14 6.943 13.032 -7.476 102 HA SER 14 HA SER 14 9.509 12.329 -6.732 103 1HB SER 14 1HB SER 14 7.923 14.337 -6.035 104 2HB SER 14 2HB SER 14 7.658 13.324 -4.616 105 HG SER 14 HG SER 14 9.440 14.827 -4.437 106 H ILE 15 H ILE 15 6.432 11.127 -5.434 107 HA ILE 15 HA ILE 15 7.565 9.569 -3.379 108 HB ILE 15 HB ILE 15 4.977 8.982 -4.800 109 1HG1 ILE 15 1HG1 ILE 15 5.133 11.368 -4.052 110 2HG1 ILE 15 2HG1 ILE 15 3.858 10.455 -3.254 111 1HG2 ILE 15 1HG2 ILE 15 5.422 8.533 -1.894 112 2HG2 ILE 15 2HG2 ILE 15 6.153 7.411 -3.041 113 3HG2 ILE 15 3HG2 ILE 15 4.406 7.652 -3.034 114 1HD1 ILE 15 1HD1 ILE 15 5.590 12.044 -1.969 115 2HD1 ILE 15 2HD1 ILE 15 6.452 10.508 -1.869 116 3HD1 ILE 15 3HD1 ILE 15 4.812 10.643 -1.230 117 H ARG 16 H ARG 16 6.861 8.927 -6.732 118 HA ARG 16 HA ARG 16 7.317 6.124 -6.644 119 1HB ARG 16 1HB ARG 16 5.996 7.205 -8.410 120 2HB ARG 16 2HB ARG 16 7.438 8.022 -8.992 121 1HG ARG 16 1HG ARG 16 8.396 5.630 -9.247 122 2HG ARG 16 2HG ARG 16 6.708 5.130 -9.173 123 1HD ARG 16 1HD ARG 16 6.414 7.024 -10.976 124 2HD ARG 16 2HD ARG 16 8.129 6.723 -11.249 125 HE ARG 16 HE ARG 16 5.919 4.931 -11.829 126 1HH1 ARG 16 1HH1 ARG 16 9.381 5.343 -11.575 127 2HH1 ARG 16 2HH1 ARG 16 9.738 3.944 -12.530 128 1HH2 ARG 16 1HH2 ARG 16 6.396 3.094 -13.078 129 2HH2 ARG 16 2HH2 ARG 16 8.048 2.670 -13.382 130 H TRP 17 H TRP 17 9.321 8.767 -7.971 131 HA TRP 17 HA TRP 17 11.516 7.337 -8.742 132 1HB TRP 17 1HB TRP 17 11.193 9.771 -9.101 133 2HB TRP 17 2HB TRP 17 11.638 10.044 -7.418 134 HD1 TRP 17 HD1 TRP 17 13.168 8.768 -10.718 135 HE1 TRP 17 HE1 TRP 17 15.719 9.088 -10.603 136 HE3 TRP 17 HE3 TRP 17 13.568 10.361 -5.876 137 HZ2 TRP 17 HZ2 TRP 17 17.645 9.909 -8.712 138 HZ3 TRP 17 HZ3 TRP 17 15.802 10.892 -4.991 139 HH2 TRP 17 HH2 TRP 17 17.797 10.670 -6.381 140 H VAL 18 H VAL 18 10.891 8.557 -5.463 141 HA VAL 18 HA VAL 18 13.382 7.731 -4.437 142 HB VAL 18 HB VAL 18 11.038 7.847 -2.606 143 1HG1 VAL 18 1HG1 VAL 18 12.575 8.536 -1.034 144 2HG1 VAL 18 2HG1 VAL 18 13.659 9.228 -2.242 145 3HG1 VAL 18 3HG1 VAL 18 13.557 7.479 -2.048 146 1HG2 VAL 18 1HG2 VAL 18 10.400 9.881 -3.217 147 2HG2 VAL 18 2HG2 VAL 18 11.645 9.945 -4.464 148 3HG2 VAL 18 3HG2 VAL 18 12.011 10.477 -2.825 149 H LEU 19 H LEU 19 10.195 6.307 -3.908 150 HA LEU 19 HA LEU 19 11.248 3.974 -2.710 151 1HB LEU 19 1HB LEU 19 8.836 5.105 -2.644 152 2HB LEU 19 2HB LEU 19 8.528 3.881 -3.859 153 HG LEU 19 HG LEU 19 9.279 2.138 -2.268 154 1HD1 LEU 19 1HD1 LEU 19 10.787 3.330 -0.876 155 2HD1 LEU 19 2HD1 LEU 19 9.439 2.810 0.138 156 3HD1 LEU 19 3HD1 LEU 19 9.537 4.484 -0.408 157 1HD2 LEU 19 1HD2 LEU 19 6.930 2.645 -2.455 158 2HD2 LEU 19 2HD2 LEU 19 7.082 3.948 -1.280 159 3HD2 LEU 19 3HD2 LEU 19 7.329 2.273 -0.782 160 H GLU 20 H GLU 20 10.692 4.775 -6.026 161 HA GLU 20 HA GLU 20 10.374 2.131 -6.962 162 1HB GLU 20 1HB GLU 20 10.716 2.954 -9.162 163 2HB GLU 20 2HB GLU 20 9.794 4.157 -8.289 164 1HG GLU 20 1HG GLU 20 11.783 5.512 -8.033 165 2HG GLU 20 2HG GLU 20 12.738 4.284 -8.850 166 H ARG 21 H ARG 21 13.247 4.219 -7.138 167 HA ARG 21 HA ARG 21 14.929 2.030 -7.844 168 1HB ARG 21 1HB ARG 21 15.705 4.802 -6.932 169 2HB ARG 21 2HB ARG 21 16.771 3.637 -7.703 170 1HG ARG 21 1HG ARG 21 14.456 4.020 -9.332 171 2HG ARG 21 2HG ARG 21 15.153 5.587 -8.924 172 1HD ARG 21 1HD ARG 21 17.251 4.989 -9.852 173 2HD ARG 21 2HD ARG 21 16.787 3.291 -9.970 174 HE ARG 21 HE ARG 21 15.301 5.270 -11.533 175 1HH1 ARG 21 1HH1 ARG 21 17.572 2.613 -11.451 176 2HH1 ARG 21 2HH1 ARG 21 17.430 2.283 -13.143 177 1HH2 ARG 21 1HH2 ARG 21 15.117 4.831 -13.750 178 2HH2 ARG 21 2HH2 ARG 21 16.035 3.538 -14.448 179 H ALA 22 H ALA 22 14.675 4.007 -4.889 180 HA ALA 22 HA ALA 22 16.643 2.807 -3.401 181 1HB ALA 22 1HB ALA 22 15.786 3.867 -1.571 182 2HB ALA 22 2HB ALA 22 14.117 3.515 -2.020 183 3HB ALA 22 3HB ALA 22 15.010 4.780 -2.864 184 H LEU 23 H LEU 23 13.219 1.901 -3.279 185 HA LEU 23 HA LEU 23 13.616 -0.358 -1.674 186 1HB LEU 23 1HB LEU 23 11.414 0.816 -3.088 187 2HB LEU 23 2HB LEU 23 11.406 -0.916 -3.340 188 HG LEU 23 HG LEU 23 11.329 0.512 -0.678 189 1HD1 LEU 23 1HD1 LEU 23 9.275 0.079 -2.417 190 2HD1 LEU 23 2HD1 LEU 23 9.108 0.235 -0.668 191 3HD1 LEU 23 3HD1 LEU 23 9.203 -1.365 -1.404 192 1HD2 LEU 23 1HD2 LEU 23 11.541 -1.472 0.421 193 2HD2 LEU 23 2HD2 LEU 23 12.563 -1.813 -0.975 194 3HD2 LEU 23 3HD2 LEU 23 10.907 -2.417 -0.927 195 H ALA 24 H ALA 24 14.007 0.160 -5.087 196 HA ALA 24 HA ALA 24 14.012 -2.525 -5.939 197 1HB ALA 24 1HB ALA 24 14.510 -0.008 -7.109 198 2HB ALA 24 2HB ALA 24 14.352 -1.564 -7.922 199 3HB ALA 24 3HB ALA 24 15.940 -0.993 -7.412 200 H GLY 25 H GLY 25 16.469 -0.449 -4.500 201 1HA GLY 25 1HA GLY 25 18.673 -2.190 -4.855 202 2HA GLY 25 2HA GLY 25 18.552 -0.918 -3.646 203 H ALA 26 H ALA 26 16.022 -2.187 -2.624 204 HA ALA 26 HA ALA 26 17.272 -3.869 -0.681 205 1HB ALA 26 1HB ALA 26 14.588 -2.686 -1.068 206 2HB ALA 26 2HB ALA 26 15.627 -2.700 0.356 207 3HB ALA 26 3HB ALA 26 14.695 -4.136 -0.070 208 H GLY 27 H GLY 27 15.844 -4.377 -3.727 209 1HA GLY 27 1HA GLY 27 16.091 -6.506 -4.787 210 2HA GLY 27 2HA GLY 27 15.869 -7.274 -3.225 211 H LEU 28 H LEU 28 13.723 -4.692 -4.168 212 HA LEU 28 HA LEU 28 11.688 -6.675 -4.835 213 1HB LEU 28 1HB LEU 28 10.775 -4.227 -3.471 214 2HB LEU 28 2HB LEU 28 10.174 -5.868 -3.353 215 HG LEU 28 HG LEU 28 12.499 -6.209 -2.095 216 1HD1 LEU 28 1HD1 LEU 28 13.558 -4.285 -1.829 217 2HD1 LEU 28 2HD1 LEU 28 12.347 -3.938 -0.593 218 3HD1 LEU 28 3HD1 LEU 28 12.134 -3.335 -2.241 219 1HD2 LEU 28 1HD2 LEU 28 10.634 -4.979 -0.257 220 2HD2 LEU 28 2HD2 LEU 28 11.139 -6.663 -0.390 221 3HD2 LEU 28 3HD2 LEU 28 9.822 -6.055 -1.394 222 H THR 29 H THR 29 9.715 -5.612 -5.828 223 HA THR 29 HA THR 29 10.635 -3.678 -7.844 224 HB THR 29 HB THR 29 8.372 -5.683 -7.864 225 HG1 THR 29 HG1 THR 29 9.604 -6.760 -9.261 226 1HG2 THR 29 1HG2 THR 29 8.713 -3.301 -9.487 227 2HG2 THR 29 2HG2 THR 29 7.326 -4.377 -9.320 228 3HG2 THR 29 3HG2 THR 29 8.627 -4.782 -10.438 229 H CYS 30 H CYS 30 10.184 -1.658 -7.163 230 HA CYS 30 HA CYS 30 7.626 -1.157 -5.823 231 1HB CYS 30 1HB CYS 30 9.775 -0.420 -4.757 232 2HB CYS 30 2HB CYS 30 9.951 0.731 -6.074 233 HG CYS 30 HG CYS 30 7.430 0.923 -4.288 234 H THR 31 H THR 31 6.016 -0.580 -7.058 235 HA THR 31 HA THR 31 6.534 1.318 -9.248 236 HB THR 31 HB THR 31 5.838 -1.090 -9.913 237 HG1 THR 31 HG1 THR 31 4.247 -0.114 -11.451 238 1HG2 THR 31 1HG2 THR 31 3.889 -1.926 -9.333 239 2HG2 THR 31 2HG2 THR 31 3.046 -0.465 -9.823 240 3HG2 THR 31 3HG2 THR 31 3.706 -0.595 -8.193 241 H THR 32 H THR 32 4.841 2.888 -9.607 242 HA THR 32 HA THR 32 3.033 3.168 -7.309 243 HB THR 32 HB THR 32 3.430 5.548 -7.270 244 HG1 THR 32 HG1 THR 32 4.652 5.025 -9.685 245 1HG2 THR 32 1HG2 THR 32 5.383 5.500 -6.160 246 2HG2 THR 32 2HG2 THR 32 6.227 4.657 -7.457 247 3HG2 THR 32 3HG2 THR 32 5.194 3.757 -6.350 248 H PHE 33 H PHE 33 1.096 4.283 -7.630 249 HA PHE 33 HA PHE 33 0.264 4.639 -10.421 250 1HB PHE 33 1HB PHE 33 -1.492 3.423 -8.292 251 2HB PHE 33 2HB PHE 33 -1.870 3.628 -9.990 252 HD1 PHE 33 HD1 PHE 33 0.846 2.093 -7.942 253 HD2 PHE 33 HD2 PHE 33 -1.806 1.718 -11.244 254 HE1 PHE 33 HE1 PHE 33 1.720 -0.159 -8.378 255 HE2 PHE 33 HE2 PHE 33 -0.939 -0.540 -11.692 256 HZ PHE 33 HZ PHE 33 0.824 -1.487 -10.257 257 H GLU 34 H GLU 34 -1.977 5.788 -10.433 258 HA GLU 34 HA GLU 34 -1.585 8.360 -9.493 259 1HB GLU 34 1HB GLU 34 -4.046 8.629 -10.127 260 2HB GLU 34 2HB GLU 34 -2.944 8.059 -11.374 261 1HG GLU 34 1HG GLU 34 -4.092 6.194 -11.654 262 2HG GLU 34 2HG GLU 34 -4.062 5.842 -9.928 263 H ASN 35 H ASN 35 -4.776 7.406 -8.610 264 HA ASN 35 HA ASN 35 -4.324 8.340 -5.947 265 1HB ASN 35 1HB ASN 35 -6.943 7.356 -7.031 266 2HB ASN 35 2HB ASN 35 -6.663 8.529 -5.748 267 1HD2 ASN 35 1HD2 ASN 35 -7.729 8.277 -8.768 268 2HD2 ASN 35 2HD2 ASN 35 -7.283 9.824 -9.397 269 H GLY 36 H GLY 36 -6.221 5.578 -7.046 270 1HA GLY 36 1HA GLY 36 -4.795 3.728 -5.386 271 2HA GLY 36 2HA GLY 36 -6.326 4.205 -4.675 272 H ASN 37 H ASN 37 -7.649 4.454 -7.297 273 HA ASN 37 HA ASN 37 -8.588 1.796 -7.497 274 1HB ASN 37 1HB ASN 37 -9.046 4.284 -9.126 275 2HB ASN 37 2HB ASN 37 -9.732 2.737 -9.616 276 1HD2 ASN 37 1HD2 ASN 37 -10.665 1.565 -7.508 277 2HD2 ASN 37 2HD2 ASN 37 -11.793 2.534 -6.631 278 H GLU 38 H GLU 38 -6.182 3.645 -9.219 279 HA GLU 38 HA GLU 38 -5.877 2.173 -11.539 280 1HB GLU 38 1HB GLU 38 -4.418 4.149 -10.148 281 2HB GLU 38 2HB GLU 38 -3.290 2.857 -10.519 282 1HG GLU 38 1HG GLU 38 -5.024 4.316 -12.496 283 2HG GLU 38 2HG GLU 38 -3.290 4.536 -12.264 284 H VAL 39 H VAL 39 -4.032 1.673 -8.480 285 HA VAL 39 HA VAL 39 -2.633 -0.578 -9.268 286 HB VAL 39 HB VAL 39 -3.807 -0.304 -6.506 287 1HG1 VAL 39 1HG1 VAL 39 -2.181 -2.237 -7.649 288 2HG1 VAL 39 2HG1 VAL 39 -2.428 -1.954 -5.926 289 3HG1 VAL 39 3HG1 VAL 39 -1.064 -1.205 -6.756 290 1HG2 VAL 39 1HG2 VAL 39 -1.378 1.022 -7.659 291 2HG2 VAL 39 2HG2 VAL 39 -1.760 0.945 -5.954 292 3HG2 VAL 39 3HG2 VAL 39 -2.822 1.818 -7.053 293 H LEU 40 H LEU 40 -5.901 -0.401 -7.944 294 HA LEU 40 HA LEU 40 -6.437 -3.081 -7.580 295 1HB LEU 40 1HB LEU 40 -8.442 -1.160 -8.737 296 2HB LEU 40 2HB LEU 40 -8.753 -2.562 -7.734 297 HG LEU 40 HG LEU 40 -7.391 -0.029 -6.811 298 1HD1 LEU 40 1HD1 LEU 40 -9.379 0.707 -6.006 299 2HD1 LEU 40 2HD1 LEU 40 -10.007 -0.920 -5.766 300 3HD1 LEU 40 3HD1 LEU 40 -9.982 -0.220 -7.379 301 1HD2 LEU 40 1HD2 LEU 40 -8.243 -1.395 -4.597 302 2HD2 LEU 40 2HD2 LEU 40 -6.590 -1.380 -5.211 303 3HD2 LEU 40 3HD2 LEU 40 -7.679 -2.695 -5.648 304 H ALA 41 H ALA 41 -6.724 -1.180 -10.550 305 HA ALA 41 HA ALA 41 -7.777 -3.224 -12.160 306 1HB ALA 41 1HB ALA 41 -6.050 -0.941 -13.084 307 2HB ALA 41 2HB ALA 41 -7.771 -0.796 -12.722 308 3HB ALA 41 3HB ALA 41 -7.231 -1.843 -14.035 309 H ALA 42 H ALA 42 -4.472 -2.095 -11.743 310 HA ALA 42 HA ALA 42 -3.265 -3.982 -13.451 311 1HB ALA 42 1HB ALA 42 -1.287 -3.365 -11.668 312 2HB ALA 42 2HB ALA 42 -2.362 -1.976 -11.520 313 3HB ALA 42 3HB ALA 42 -1.700 -2.414 -13.095 314 H LEU 43 H LEU 43 -4.276 -4.111 -10.122 315 HA LEU 43 HA LEU 43 -2.750 -6.357 -9.344 316 1HB LEU 43 1HB LEU 43 -5.223 -5.049 -8.284 317 2HB LEU 43 2HB LEU 43 -4.656 -6.564 -7.603 318 HG LEU 43 HG LEU 43 -2.635 -4.426 -7.822 319 1HD1 LEU 43 1HD1 LEU 43 -5.179 -4.006 -6.492 320 2HD1 LEU 43 2HD1 LEU 43 -3.893 -2.869 -6.847 321 3HD1 LEU 43 3HD1 LEU 43 -3.807 -3.861 -5.399 322 1HD2 LEU 43 1HD2 LEU 43 -1.770 -5.432 -5.928 323 2HD2 LEU 43 2HD2 LEU 43 -2.470 -6.790 -6.814 324 3HD2 LEU 43 3HD2 LEU 43 -3.332 -6.091 -5.441 325 H ALA 44 H ALA 44 -5.644 -6.010 -11.172 326 HA ALA 44 HA ALA 44 -6.904 -8.443 -10.769 327 1HB ALA 44 1HB ALA 44 -7.583 -6.398 -12.217 328 2HB ALA 44 2HB ALA 44 -8.120 -8.010 -12.687 329 3HB ALA 44 3HB ALA 44 -6.752 -7.261 -13.510 330 H SER 45 H SER 45 -3.847 -7.850 -12.188 331 HA SER 45 HA SER 45 -3.768 -10.597 -13.167 332 1HB SER 45 1HB SER 45 -3.223 -8.145 -14.586 333 2HB SER 45 2HB SER 45 -1.802 -9.190 -14.580 334 HG SER 45 HG SER 45 -2.779 -10.295 -16.060 335 H LYS 46 H LYS 46 -2.536 -8.528 -10.864 336 HA LYS 46 HA LYS 46 -0.387 -10.353 -10.296 337 1HB LYS 46 1HB LYS 46 0.272 -8.199 -11.834 338 2HB LYS 46 2HB LYS 46 0.561 -7.576 -10.214 339 1HG LYS 46 1HG LYS 46 1.749 -10.051 -10.139 340 2HG LYS 46 2HG LYS 46 2.089 -9.487 -11.777 341 1HD LYS 46 1HD LYS 46 2.583 -7.248 -10.290 342 2HD LYS 46 2HD LYS 46 3.113 -8.532 -9.203 343 1HE LYS 46 1HE LYS 46 4.924 -8.959 -10.437 344 2HE LYS 46 2HE LYS 46 4.001 -8.950 -11.938 345 1HZ LYS 46 1HZ LYS 46 5.413 -7.170 -12.203 346 2HZ LYS 46 2HZ LYS 46 5.341 -6.712 -10.576 347 3HZ LYS 46 3HZ LYS 46 4.028 -6.407 -11.599 348 H THR 47 H THR 47 0.558 -10.018 -8.178 349 HA THR 47 HA THR 47 -0.923 -8.215 -6.446 350 HB THR 47 HB THR 47 -0.586 -11.175 -5.964 351 HG1 THR 47 HG1 THR 47 -2.333 -10.622 -7.302 352 1HG2 THR 47 1HG2 THR 47 -1.714 -10.937 -3.886 353 2HG2 THR 47 2HG2 THR 47 -1.943 -9.209 -4.142 354 3HG2 THR 47 3HG2 THR 47 -0.323 -9.852 -3.872 355 HA PRO 48 HA PRO 48 3.397 -7.708 -5.209 356 1HB PRO 48 1HB PRO 48 3.029 -5.444 -3.772 357 2HB PRO 48 2HB PRO 48 3.115 -5.443 -5.538 358 1HG PRO 48 1HG PRO 48 0.706 -5.377 -3.761 359 2HG PRO 48 2HG PRO 48 1.041 -4.437 -5.225 360 1HD PRO 48 1HD PRO 48 -0.547 -6.620 -5.236 361 2HD PRO 48 2HD PRO 48 0.444 -6.155 -6.624 362 H ASP 49 H ASP 49 4.542 -7.868 -3.209 363 HA ASP 49 HA ASP 49 3.157 -9.395 -1.222 364 1HB ASP 49 1HB ASP 49 5.994 -8.356 -1.336 365 2HB ASP 49 2HB ASP 49 5.380 -9.408 -0.063 366 H VAL 50 H VAL 50 3.995 -6.061 -1.597 367 HA VAL 50 HA VAL 50 2.691 -5.470 0.947 368 HB VAL 50 HB VAL 50 5.037 -5.504 1.556 369 1HG1 VAL 50 1HG1 VAL 50 6.721 -4.715 0.299 370 2HG1 VAL 50 2HG1 VAL 50 5.834 -3.263 -0.158 371 3HG1 VAL 50 3HG1 VAL 50 5.540 -4.778 -1.009 372 1HG2 VAL 50 1HG2 VAL 50 5.314 -3.119 2.269 373 2HG2 VAL 50 2HG2 VAL 50 3.752 -3.826 2.674 374 3HG2 VAL 50 3HG2 VAL 50 3.893 -2.724 1.305 375 H LEU 51 H LEU 51 0.976 -4.554 -0.108 376 HA LEU 51 HA LEU 51 1.415 -2.565 -2.162 377 1HB LEU 51 1HB LEU 51 -0.404 -4.185 -2.383 378 2HB LEU 51 2HB LEU 51 -1.134 -3.582 -0.909 379 HG LEU 51 HG LEU 51 -1.644 -1.465 -1.957 380 1HD1 LEU 51 1HD1 LEU 51 -1.011 -2.000 -4.680 381 2HD1 LEU 51 2HD1 LEU 51 0.447 -2.177 -3.714 382 3HD1 LEU 51 3HD1 LEU 51 -0.466 -0.667 -3.658 383 1HD2 LEU 51 1HD2 LEU 51 -2.421 -3.564 -3.967 384 2HD2 LEU 51 2HD2 LEU 51 -3.356 -2.184 -3.396 385 3HD2 LEU 51 3HD2 LEU 51 -3.082 -3.563 -2.333 386 H LEU 52 H LEU 52 1.126 -0.430 -2.014 387 HA LEU 52 HA LEU 52 0.391 0.720 0.604 388 1HB LEU 52 1HB LEU 52 2.554 1.475 -1.340 389 2HB LEU 52 2HB LEU 52 1.914 2.647 -0.209 390 HG LEU 52 HG LEU 52 2.865 0.092 0.940 391 1HD1 LEU 52 1HD1 LEU 52 5.198 1.331 0.951 392 2HD1 LEU 52 2HD1 LEU 52 4.592 1.987 -0.569 393 3HD1 LEU 52 3HD1 LEU 52 4.741 0.242 -0.358 394 1HD2 LEU 52 1HD2 LEU 52 1.948 2.313 2.036 395 2HD2 LEU 52 2HD2 LEU 52 3.631 2.810 1.857 396 3HD2 LEU 52 3HD2 LEU 52 3.233 1.372 2.798 397 H SER 53 H SER 53 -1.271 2.220 0.501 398 HA SER 53 HA SER 53 -1.908 3.311 -2.152 399 1HB SER 53 1HB SER 53 -3.589 1.645 -0.414 400 2HB SER 53 2HB SER 53 -4.389 3.086 -1.044 401 HG SER 53 HG SER 53 -4.569 1.245 -2.435 402 H ASP 54 H ASP 54 -2.879 5.316 -2.274 403 HA ASP 54 HA ASP 54 -2.245 7.085 -0.106 404 1HB ASP 54 1HB ASP 54 -2.174 7.563 -2.669 405 2HB ASP 54 2HB ASP 54 -3.889 7.899 -2.482 406 H ILE 55 H ILE 55 -4.329 8.937 -0.221 407 HA ILE 55 HA ILE 55 -6.838 7.758 0.208 408 HB ILE 55 HB ILE 55 -5.875 6.855 2.160 409 1HG1 ILE 55 1HG1 ILE 55 -7.065 9.085 3.622 410 2HG1 ILE 55 2HG1 ILE 55 -8.046 8.557 2.263 411 1HG2 ILE 55 1HG2 ILE 55 -3.905 7.960 2.541 412 2HG2 ILE 55 2HG2 ILE 55 -4.894 8.517 3.882 413 3HG2 ILE 55 3HG2 ILE 55 -4.661 9.550 2.480 414 1HD1 ILE 55 1HD1 ILE 55 -7.303 6.200 3.492 415 2HD1 ILE 55 2HD1 ILE 55 -8.865 7.007 3.623 416 3HD1 ILE 55 3HD1 ILE 55 -7.615 7.306 4.830 417 H ARG 56 H ARG 56 -7.128 9.589 -1.281 418 HA ARG 56 HA ARG 56 -8.353 11.764 -0.041 419 1HB ARG 56 1HB ARG 56 -6.796 13.593 -0.555 420 2HB ARG 56 2HB ARG 56 -6.103 12.459 0.595 421 1HG ARG 56 1HG ARG 56 -4.563 11.658 -0.919 422 2HG ARG 56 2HG ARG 56 -5.527 12.139 -2.313 423 1HD ARG 56 1HD ARG 56 -4.395 14.196 -0.456 424 2HD ARG 56 2HD ARG 56 -3.396 13.486 -1.723 425 HE ARG 56 HE ARG 56 -5.370 15.475 -2.059 426 1HH1 ARG 56 1HH1 ARG 56 -4.087 12.615 -3.589 427 2HH1 ARG 56 2HH1 ARG 56 -4.564 13.098 -5.181 428 1HH2 ARG 56 1HH2 ARG 56 -6.003 16.114 -4.154 429 2HH2 ARG 56 2HH2 ARG 56 -5.652 15.085 -5.503 430 H MET 57 H MET 57 -9.383 10.316 -1.996 431 HA MET 57 HA MET 57 -9.672 12.235 -4.109 432 1HB MET 57 1HB MET 57 -7.654 10.941 -4.801 433 2HB MET 57 2HB MET 57 -8.658 9.510 -4.907 434 1HG MET 57 1HG MET 57 -8.503 10.318 -7.092 435 2HG MET 57 2HG MET 57 -10.101 10.806 -6.531 436 1HE MET 57 1HE MET 57 -10.175 12.886 -8.607 437 2HE MET 57 2HE MET 57 -8.833 11.813 -9.004 438 3HE MET 57 3HE MET 57 -8.593 13.561 -9.001 439 HA PRO 58 HA PRO 58 -12.874 8.698 -5.042 440 1HB PRO 58 1HB PRO 58 -12.921 6.674 -3.161 441 2HB PRO 58 2HB PRO 58 -12.130 6.568 -4.737 442 1HG PRO 58 1HG PRO 58 -10.949 7.200 -2.063 443 2HG PRO 58 2HG PRO 58 -10.313 6.169 -3.356 444 1HD PRO 58 1HD PRO 58 -9.355 8.629 -2.997 445 2HD PRO 58 2HD PRO 58 -9.603 7.976 -4.629 446 H GLY 59 H GLY 59 -14.696 7.564 -3.430 447 1HA GLY 59 1HA GLY 59 -15.944 9.762 -2.183 448 2HA GLY 59 2HA GLY 59 -16.452 8.085 -2.049 449 H MET 60 H MET 60 -14.650 6.798 -0.673 450 HA MET 60 HA MET 60 -14.755 8.057 1.938 451 1HB MET 60 1HB MET 60 -15.177 5.518 1.227 452 2HB MET 60 2HB MET 60 -13.450 5.411 1.538 453 1HG MET 60 1HG MET 60 -14.273 4.861 3.587 454 2HG MET 60 2HG MET 60 -14.086 6.603 3.778 455 1HE MET 60 1HE MET 60 -16.946 3.853 4.592 456 2HE MET 60 2HE MET 60 -17.151 5.160 5.760 457 3HE MET 60 3HE MET 60 -15.536 4.558 5.383 458 H ASP 61 H ASP 61 -13.072 9.516 0.422 459 HA ASP 61 HA ASP 61 -10.974 10.365 0.255 460 1HB ASP 61 1HB ASP 61 -11.349 9.475 2.983 461 2HB ASP 61 2HB ASP 61 -9.653 9.391 2.528 462 H GLY 62 H GLY 62 -9.925 7.512 2.040 463 1HA GLY 62 1HA GLY 62 -8.693 6.430 -0.405 464 2HA GLY 62 2HA GLY 62 -7.700 6.723 1.006 465 H LEU 63 H LEU 63 -10.193 5.897 2.612 466 HA LEU 63 HA LEU 63 -9.372 3.203 2.924 467 1HB LEU 63 1HB LEU 63 -10.181 4.892 4.676 468 2HB LEU 63 2HB LEU 63 -11.796 4.490 4.140 469 HG LEU 63 HG LEU 63 -11.775 2.452 5.158 470 1HD1 LEU 63 1HD1 LEU 63 -9.073 1.872 5.842 471 2HD1 LEU 63 2HD1 LEU 63 -9.170 2.179 4.114 472 3HD1 LEU 63 3HD1 LEU 63 -10.188 0.945 4.843 473 1HD2 LEU 63 1HD2 LEU 63 -9.682 3.747 6.872 474 2HD2 LEU 63 2HD2 LEU 63 -11.059 2.757 7.362 475 3HD2 LEU 63 3HD2 LEU 63 -11.322 4.386 6.747 476 H ALA 64 H ALA 64 -11.521 4.789 0.881 477 HA ALA 64 HA ALA 64 -13.568 2.860 0.594 478 1HB ALA 64 1HB ALA 64 -13.093 5.385 -0.389 479 2HB ALA 64 2HB ALA 64 -14.425 4.328 -0.861 480 3HB ALA 64 3HB ALA 64 -12.946 4.368 -1.821 481 H LEU 65 H LEU 65 -10.901 3.623 -1.679 482 HA LEU 65 HA LEU 65 -11.181 1.368 -3.250 483 1HB LEU 65 1HB LEU 65 -8.865 1.688 -3.997 484 2HB LEU 65 2HB LEU 65 -9.802 3.162 -4.029 485 HG LEU 65 HG LEU 65 -7.430 3.428 -3.301 486 1HD1 LEU 65 1HD1 LEU 65 -7.880 5.071 -1.698 487 2HD1 LEU 65 2HD1 LEU 65 -9.318 4.231 -1.124 488 3HD1 LEU 65 3HD1 LEU 65 -9.316 4.983 -2.712 489 1HD2 LEU 65 1HD2 LEU 65 -8.186 2.319 -0.639 490 2HD2 LEU 65 2HD2 LEU 65 -6.591 2.621 -1.317 491 3HD2 LEU 65 3HD2 LEU 65 -7.547 1.257 -1.892 492 H LEU 66 H LEU 66 -9.889 1.625 -0.076 493 HA LEU 66 HA LEU 66 -8.244 -0.663 -0.044 494 1HB LEU 66 1HB LEU 66 -8.865 1.275 1.759 495 2HB LEU 66 2HB LEU 66 -9.789 -0.070 2.401 496 HG LEU 66 HG LEU 66 -7.597 -1.403 2.285 497 1HD1 LEU 66 1HD1 LEU 66 -6.398 1.357 2.266 498 2HD1 LEU 66 2HD1 LEU 66 -6.464 0.314 0.844 499 3HD1 LEU 66 3HD1 LEU 66 -5.556 -0.192 2.269 500 1HD2 LEU 66 1HD2 LEU 66 -7.569 0.893 4.220 501 2HD2 LEU 66 2HD2 LEU 66 -7.039 -0.770 4.474 502 3HD2 LEU 66 3HD2 LEU 66 -8.758 -0.405 4.322 503 H LYS 67 H LYS 67 -11.674 -0.156 0.671 504 HA LYS 67 HA LYS 67 -12.375 -2.774 1.346 505 1HB LYS 67 1HB LYS 67 -14.047 -0.798 -0.216 506 2HB LYS 67 2HB LYS 67 -14.646 -2.153 0.735 507 1HG LYS 67 1HG LYS 67 -13.372 -0.929 2.681 508 2HG LYS 67 2HG LYS 67 -13.586 0.475 1.633 509 1HD LYS 67 1HD LYS 67 -15.477 0.506 3.003 510 2HD LYS 67 2HD LYS 67 -16.050 -0.244 1.512 511 1HE LYS 67 1HE LYS 67 -16.884 -1.783 2.940 512 2HE LYS 67 2HE LYS 67 -15.248 -2.433 2.847 513 1HZ LYS 67 1HZ LYS 67 -15.849 -2.288 5.122 514 2HZ LYS 67 2HZ LYS 67 -16.368 -0.686 4.967 515 3HZ LYS 67 3HZ LYS 67 -14.724 -1.060 4.835 516 H GLN 68 H GLN 68 -12.035 -1.186 -1.780 517 HA GLN 68 HA GLN 68 -13.016 -3.255 -3.415 518 1HB GLN 68 1HB GLN 68 -10.726 -1.494 -4.236 519 2HB GLN 68 2HB GLN 68 -12.006 -2.154 -5.239 520 1HG GLN 68 1HG GLN 68 -12.602 -0.151 -3.096 521 2HG GLN 68 2HG GLN 68 -12.019 0.349 -4.682 522 1HE2 GLN 68 1HE2 GLN 68 -13.655 1.120 -5.780 523 2HE2 GLN 68 2HE2 GLN 68 -15.218 0.400 -5.925 524 H ILE 69 H ILE 69 -9.925 -2.700 -1.888 525 HA ILE 69 HA ILE 69 -8.339 -4.504 -3.292 526 HB ILE 69 HB ILE 69 -8.156 -3.547 -0.444 527 1HG1 ILE 69 1HG1 ILE 69 -6.566 -2.787 -2.898 528 2HG1 ILE 69 2HG1 ILE 69 -7.948 -1.883 -2.297 529 1HG2 ILE 69 1HG2 ILE 69 -6.539 -4.993 -0.022 530 2HG2 ILE 69 2HG2 ILE 69 -5.625 -4.380 -1.399 531 3HG2 ILE 69 3HG2 ILE 69 -6.757 -5.715 -1.614 532 1HD1 ILE 69 1HD1 ILE 69 -5.191 -2.057 -1.250 533 2HD1 ILE 69 2HD1 ILE 69 -6.499 -1.888 -0.078 534 3HD1 ILE 69 3HD1 ILE 69 -6.290 -0.681 -1.345 535 H LYS 70 H LYS 70 -10.212 -5.023 -0.348 536 HA LYS 70 HA LYS 70 -9.473 -7.720 -0.027 537 1HB LYS 70 1HB LYS 70 -11.234 -7.896 1.574 538 2HB LYS 70 2HB LYS 70 -10.513 -6.304 1.746 539 1HG LYS 70 1HG LYS 70 -12.601 -5.543 1.701 540 2HG LYS 70 2HG LYS 70 -12.531 -5.849 -0.034 541 1HD LYS 70 1HD LYS 70 -14.012 -7.510 0.102 542 2HD LYS 70 2HD LYS 70 -13.169 -8.247 1.463 543 1HE LYS 70 1HE LYS 70 -14.607 -5.775 2.111 544 2HE LYS 70 2HE LYS 70 -15.638 -7.104 1.583 545 1HZ LYS 70 1HZ LYS 70 -13.643 -7.245 3.778 546 2HZ LYS 70 2HZ LYS 70 -14.658 -8.504 3.282 547 3HZ LYS 70 3HZ LYS 70 -15.318 -7.113 3.980 548 H GLN 71 H GLN 71 -11.872 -6.162 -1.967 549 HA GLN 71 HA GLN 71 -13.283 -8.574 -2.590 550 1HB GLN 71 1HB GLN 71 -13.452 -5.735 -3.547 551 2HB GLN 71 2HB GLN 71 -14.321 -7.012 -4.385 552 1HG GLN 71 1HG GLN 71 -15.757 -7.376 -2.626 553 2HG GLN 71 2HG GLN 71 -14.635 -6.718 -1.439 554 1HE2 GLN 71 1HE2 GLN 71 -14.041 -4.305 -2.132 555 2HE2 GLN 71 2HE2 GLN 71 -15.429 -3.298 -2.353 556 H ARG 72 H ARG 72 -10.722 -6.676 -3.945 557 HA ARG 72 HA ARG 72 -10.706 -8.158 -6.436 558 1HB ARG 72 1HB ARG 72 -8.993 -5.909 -5.403 559 2HB ARG 72 2HB ARG 72 -8.723 -6.693 -6.954 560 1HG ARG 72 1HG ARG 72 -11.473 -5.820 -6.618 561 2HG ARG 72 2HG ARG 72 -10.315 -4.495 -6.484 562 1HD ARG 72 1HD ARG 72 -10.143 -4.456 -8.696 563 2HD ARG 72 2HD ARG 72 -9.483 -6.089 -8.654 564 HE ARG 72 HE ARG 72 -12.373 -5.896 -8.577 565 1HH1 ARG 72 1HH1 ARG 72 -9.524 -6.312 -10.558 566 2HH1 ARG 72 2HH1 ARG 72 -10.390 -7.055 -11.860 567 1HH2 ARG 72 1HH2 ARG 72 -13.504 -6.871 -10.292 568 2HH2 ARG 72 2HH2 ARG 72 -12.646 -7.369 -11.710 569 H HIS 73 H HIS 73 -8.367 -7.496 -3.880 570 HA HIS 73 HA HIS 73 -6.780 -9.788 -4.720 571 1HB HIS 73 1HB HIS 73 -5.895 -8.357 -2.303 572 2HB HIS 73 2HB HIS 73 -4.989 -8.813 -3.736 573 HD1 HIS 73 HD1 HIS 73 -4.619 -6.063 -2.384 574 HD2 HIS 73 HD2 HIS 73 -7.145 -6.748 -5.588 575 HE1 HIS 73 HE1 HIS 73 -4.925 -3.833 -3.490 576 HE2 HIS 73 HE2 HIS 73 -6.613 -4.251 -5.301 577 HA PRO 74 HA PRO 74 -8.227 -12.573 -1.642 578 1HB PRO 74 1HB PRO 74 -5.934 -13.837 -0.862 579 2HB PRO 74 2HB PRO 74 -6.763 -14.163 -2.387 580 1HG PRO 74 1HG PRO 74 -4.349 -12.490 -1.860 581 2HG PRO 74 2HG PRO 74 -4.697 -13.562 -3.225 582 1HD PRO 74 1HD PRO 74 -4.932 -10.855 -3.357 583 2HD PRO 74 2HD PRO 74 -5.919 -11.963 -4.330 584 H MET 75 H MET 75 -5.067 -11.381 -0.489 585 HA MET 75 HA MET 75 -6.266 -10.153 1.827 586 1HB MET 75 1HB MET 75 -4.748 -12.726 2.001 587 2HB MET 75 2HB MET 75 -4.562 -11.543 3.287 588 1HG MET 75 1HG MET 75 -7.015 -11.558 3.597 589 2HG MET 75 2HG MET 75 -7.125 -12.835 2.387 590 1HE MET 75 1HE MET 75 -8.238 -13.355 5.615 591 2HE MET 75 2HE MET 75 -7.209 -11.929 5.745 592 3HE MET 75 3HE MET 75 -6.848 -13.367 6.701 593 H LEU 76 H LEU 76 -4.620 -9.440 -0.482 594 HA LEU 76 HA LEU 76 -1.932 -9.047 0.069 595 1HB LEU 76 1HB LEU 76 -3.346 -8.573 -2.052 596 2HB LEU 76 2HB LEU 76 -3.579 -6.992 -1.341 597 HG LEU 76 HG LEU 76 -0.957 -8.216 -2.164 598 1HD1 LEU 76 1HD1 LEU 76 -2.929 -6.489 -3.409 599 2HD1 LEU 76 2HD1 LEU 76 -1.576 -7.361 -4.121 600 3HD1 LEU 76 3HD1 LEU 76 -1.316 -5.776 -3.393 601 1HD2 LEU 76 1HD2 LEU 76 -1.582 -5.655 -0.707 602 2HD2 LEU 76 2HD2 LEU 76 -0.071 -5.925 -1.578 603 3HD2 LEU 76 3HD2 LEU 76 -0.494 -6.951 -0.207 604 HA PRO 77 HA PRO 77 -2.430 -6.247 3.571 605 1HB PRO 77 1HB PRO 77 0.521 -6.170 3.391 606 2HB PRO 77 2HB PRO 77 -0.513 -6.574 4.766 607 1HG PRO 77 1HG PRO 77 0.850 -8.474 3.479 608 2HG PRO 77 2HG PRO 77 -0.792 -8.773 4.081 609 1HD PRO 77 1HD PRO 77 0.118 -8.152 1.291 610 2HD PRO 77 2HD PRO 77 -1.082 -9.340 1.846 611 H VAL 78 H VAL 78 -3.081 -4.280 3.019 612 HA VAL 78 HA VAL 78 -1.541 -2.628 1.174 613 HB VAL 78 HB VAL 78 -4.202 -1.866 2.334 614 1HG1 VAL 78 1HG1 VAL 78 -2.967 -1.331 -0.361 615 2HG1 VAL 78 2HG1 VAL 78 -2.885 -0.238 1.020 616 3HG1 VAL 78 3HG1 VAL 78 -4.444 -0.621 0.290 617 1HG2 VAL 78 1HG2 VAL 78 -5.430 -3.159 0.878 618 2HG2 VAL 78 2HG2 VAL 78 -4.122 -4.264 1.287 619 3HG2 VAL 78 3HG2 VAL 78 -4.082 -3.379 -0.237 620 H ILE 79 H ILE 79 -0.968 -0.479 1.728 621 HA ILE 79 HA ILE 79 -1.149 0.201 4.581 622 HB ILE 79 HB ILE 79 1.349 0.615 2.954 623 1HG1 ILE 79 1HG1 ILE 79 1.815 -1.235 5.038 624 2HG1 ILE 79 2HG1 ILE 79 0.372 -1.786 4.196 625 1HG2 ILE 79 1HG2 ILE 79 0.632 2.018 5.063 626 2HG2 ILE 79 2HG2 ILE 79 2.303 1.509 4.826 627 3HG2 ILE 79 3HG2 ILE 79 1.255 0.609 5.923 628 1HD1 ILE 79 1HD1 ILE 79 2.378 -1.007 2.304 629 2HD1 ILE 79 2HD1 ILE 79 1.587 -2.568 2.527 630 3HD1 ILE 79 3HD1 ILE 79 3.031 -2.170 3.458 631 H ILE 80 H ILE 80 -2.206 2.055 4.727 632 HA ILE 80 HA ILE 80 -2.109 3.914 2.489 633 HB ILE 80 HB ILE 80 -3.939 3.902 4.882 634 1HG1 ILE 80 1HG1 ILE 80 -4.220 1.929 3.452 635 2HG1 ILE 80 2HG1 ILE 80 -5.600 3.011 3.309 636 1HG2 ILE 80 1HG2 ILE 80 -3.533 5.777 2.673 637 2HG2 ILE 80 2HG2 ILE 80 -4.331 6.008 4.227 638 3HG2 ILE 80 3HG2 ILE 80 -5.205 5.266 2.890 639 1HD1 ILE 80 1HD1 ILE 80 -4.520 3.935 1.239 640 2HD1 ILE 80 2HD1 ILE 80 -5.084 2.267 1.132 641 3HD1 ILE 80 3HD1 ILE 80 -3.368 2.605 1.350 642 H MET 81 H MET 81 -1.705 6.099 2.704 643 HA MET 81 HA MET 81 0.289 6.734 4.682 644 1HB MET 81 1HB MET 81 0.013 9.060 3.327 645 2HB MET 81 2HB MET 81 1.077 7.746 2.867 646 1HG MET 81 1HG MET 81 -1.565 7.364 1.766 647 2HG MET 81 2HG MET 81 -0.916 8.934 1.341 648 1HE MET 81 1HE MET 81 1.368 5.306 1.446 649 2HE MET 81 2HE MET 81 0.384 4.817 0.071 650 3HE MET 81 3HE MET 81 -0.387 5.269 1.590 651 H THR 82 H THR 82 -3.105 7.398 4.361 652 HA THR 82 HA THR 82 -2.954 8.885 6.859 653 HB THR 82 HB THR 82 -4.556 10.101 4.619 654 HG1 THR 82 HG1 THR 82 -2.700 10.576 3.747 655 1HG2 THR 82 1HG2 THR 82 -4.496 10.678 7.281 656 2HG2 THR 82 2HG2 THR 82 -4.976 11.789 6.000 657 3HG2 THR 82 3HG2 THR 82 -3.326 11.818 6.618 658 H ALA 83 H ALA 83 -4.737 8.614 8.174 659 HA ALA 83 HA ALA 83 -6.903 6.964 7.039 660 1HB ALA 83 1HB ALA 83 -6.838 5.559 8.770 661 2HB ALA 83 2HB ALA 83 -6.618 6.860 9.944 662 3HB ALA 83 3HB ALA 83 -5.230 6.229 9.060 663 H HIS 84 H HIS 84 -7.050 9.748 6.866 664 HA HIS 84 HA HIS 84 -8.651 10.733 9.057 665 1HB HIS 84 1HB HIS 84 -8.928 12.746 7.561 666 2HB HIS 84 2HB HIS 84 -7.265 12.349 7.979 667 HD1 HIS 84 HD1 HIS 84 -6.446 13.621 5.863 668 HD2 HIS 84 HD2 HIS 84 -8.871 10.341 5.070 669 HE1 HIS 84 HE1 HIS 84 -6.170 13.159 3.407 670 HE2 HIS 84 HE2 HIS 84 -7.685 11.202 2.938 671 H SER 85 H SER 85 -9.949 8.564 8.374 672 HA SER 85 HA SER 85 -12.467 9.544 7.393 673 1HB SER 85 1HB SER 85 -12.716 7.951 5.565 674 2HB SER 85 2HB SER 85 -11.287 8.946 5.284 675 HG SER 85 HG SER 85 -11.110 6.560 5.011 676 H ASP 86 H ASP 86 -13.761 7.128 6.966 677 HA ASP 86 HA ASP 86 -14.257 6.261 9.587 678 1HB ASP 86 1HB ASP 86 -15.424 5.883 7.065 679 2HB ASP 86 2HB ASP 86 -15.022 4.265 7.633 680 H LEU 87 H LEU 87 -12.225 5.702 10.463 681 HA LEU 87 HA LEU 87 -10.357 3.943 9.509 682 1HB LEU 87 1HB LEU 87 -11.121 4.982 12.113 683 2HB LEU 87 2HB LEU 87 -10.432 3.374 12.220 684 HG LEU 87 HG LEU 87 -9.117 5.812 11.020 685 1HD1 LEU 87 1HD1 LEU 87 -7.560 5.598 12.854 686 2HD1 LEU 87 2HD1 LEU 87 -8.402 4.161 13.439 687 3HD1 LEU 87 3HD1 LEU 87 -9.202 5.733 13.482 688 1HD2 LEU 87 1HD2 LEU 87 -7.140 4.048 11.113 689 2HD2 LEU 87 2HD2 LEU 87 -8.186 4.201 9.702 690 3HD2 LEU 87 3HD2 LEU 87 -8.473 2.919 10.877 691 H ASP 88 H ASP 88 -13.526 3.177 10.620 692 HA ASP 88 HA ASP 88 -13.349 0.605 11.537 693 1HB ASP 88 1HB ASP 88 -15.425 2.106 11.143 694 2HB ASP 88 2HB ASP 88 -15.478 1.352 9.552 695 H ALA 89 H ALA 89 -13.454 1.635 8.143 696 HA ALA 89 HA ALA 89 -13.320 -0.997 7.094 697 1HB ALA 89 1HB ALA 89 -14.298 0.539 5.659 698 2HB ALA 89 2HB ALA 89 -12.695 0.308 4.958 699 3HB ALA 89 3HB ALA 89 -13.039 1.738 5.931 700 H ALA 90 H ALA 90 -10.971 1.159 8.345 701 HA ALA 90 HA ALA 90 -8.737 0.164 6.854 702 1HB ALA 90 1HB ALA 90 -8.661 1.634 9.478 703 2HB ALA 90 2HB ALA 90 -8.820 2.423 7.911 704 3HB ALA 90 3HB ALA 90 -7.369 1.493 8.286 705 H VAL 91 H VAL 91 -9.982 -0.399 10.154 706 HA VAL 91 HA VAL 91 -7.932 -2.232 10.823 707 HB VAL 91 HB VAL 91 -10.656 -2.217 12.091 708 1HG1 VAL 91 1HG1 VAL 91 -8.044 -3.451 12.635 709 2HG1 VAL 91 2HG1 VAL 91 -9.664 -3.948 13.136 710 3HG1 VAL 91 3HG1 VAL 91 -8.811 -2.693 14.034 711 1HG2 VAL 91 1HG2 VAL 91 -9.613 0.082 11.975 712 2HG2 VAL 91 2HG2 VAL 91 -8.298 -0.553 12.963 713 3HG2 VAL 91 3HG2 VAL 91 -9.943 -0.521 13.599 714 H SER 92 H SER 92 -11.130 -2.578 9.433 715 HA SER 92 HA SER 92 -11.150 -5.417 9.506 716 1HB SER 92 1HB SER 92 -13.063 -5.270 7.998 717 2HB SER 92 2HB SER 92 -13.225 -4.083 9.294 718 HG SER 92 HG SER 92 -12.271 -3.568 6.669 719 H ALA 93 H ALA 93 -9.709 -3.052 7.456 720 HA ALA 93 HA ALA 93 -9.434 -4.570 5.108 721 1HB ALA 93 1HB ALA 93 -9.044 -2.282 4.855 722 2HB ALA 93 2HB ALA 93 -7.447 -3.016 4.705 723 3HB ALA 93 3HB ALA 93 -7.921 -2.241 6.214 724 H TYR 94 H TYR 94 -7.416 -4.207 7.958 725 HA TYR 94 HA TYR 94 -5.279 -5.820 7.055 726 1HB TYR 94 1HB TYR 94 -5.986 -5.755 9.963 727 2HB TYR 94 2HB TYR 94 -4.402 -5.696 9.205 728 HD1 TYR 94 HD1 TYR 94 -4.594 -3.435 7.397 729 HD2 TYR 94 HD2 TYR 94 -6.182 -3.879 11.318 730 HE1 TYR 94 HE1 TYR 94 -4.550 -0.998 7.677 731 HE2 TYR 94 HE2 TYR 94 -6.130 -1.437 11.613 732 HH TYR 94 HH TYR 94 -4.582 0.668 9.320 733 H GLN 95 H GLN 95 -8.380 -6.469 8.371 734 HA GLN 95 HA GLN 95 -7.904 -9.203 9.088 735 1HB GLN 95 1HB GLN 95 -9.679 -8.264 10.267 736 2HB GLN 95 2HB GLN 95 -10.317 -7.443 8.854 737 1HG GLN 95 1HG GLN 95 -10.361 -10.421 8.957 738 2HG GLN 95 2HG GLN 95 -11.551 -9.499 9.875 739 1HE2 GLN 95 1HE2 GLN 95 -12.174 -7.436 8.274 740 2HE2 GLN 95 2HE2 GLN 95 -12.851 -7.993 6.786 741 H GLN 96 H GLN 96 -9.067 -7.505 6.265 742 HA GLN 96 HA GLN 96 -9.558 -10.004 4.870 743 1HB GLN 96 1HB GLN 96 -10.396 -8.431 3.049 744 2HB GLN 96 2HB GLN 96 -11.351 -8.534 4.522 745 1HG GLN 96 1HG GLN 96 -9.596 -6.478 5.045 746 2HG GLN 96 2HG GLN 96 -9.974 -6.264 3.345 747 1HE2 GLN 96 1HE2 GLN 96 -11.041 -4.317 3.896 748 2HE2 GLN 96 2HE2 GLN 96 -12.629 -4.338 4.577 749 H GLY 97 H GLY 97 -7.034 -7.911 5.347 750 1HA GLY 97 1HA GLY 97 -4.999 -8.784 4.105 751 2HA GLY 97 2HA GLY 97 -5.926 -8.406 2.661 752 H ALA 98 H ALA 98 -4.433 -6.996 5.534 753 HA ALA 98 HA ALA 98 -3.442 -4.805 4.073 754 1HB ALA 98 1HB ALA 98 -6.012 -4.405 4.567 755 2HB ALA 98 2HB ALA 98 -4.838 -3.091 4.528 756 3HB ALA 98 3HB ALA 98 -5.349 -3.775 6.068 757 H PHE 99 H PHE 99 -1.730 -3.914 5.053 758 HA PHE 99 HA PHE 99 -0.802 -5.135 7.447 759 1HB PHE 99 1HB PHE 99 0.649 -4.460 5.516 760 2HB PHE 99 2HB PHE 99 0.423 -2.784 6.010 761 HD1 PHE 99 HD1 PHE 99 1.323 -6.030 7.607 762 HD2 PHE 99 HD2 PHE 99 2.132 -1.866 7.233 763 HE1 PHE 99 HE1 PHE 99 3.195 -6.258 9.187 764 HE2 PHE 99 HE2 PHE 99 4.006 -2.091 8.816 765 HZ PHE 99 HZ PHE 99 4.540 -4.286 9.791 766 H ASP 100 H ASP 100 -1.509 -1.718 6.652 767 HA ASP 100 HA ASP 100 -2.829 -1.081 8.986 768 1HB ASP 100 1HB ASP 100 -0.103 -1.564 9.535 769 2HB ASP 100 2HB ASP 100 -0.331 0.177 9.641 770 H TYR 101 H TYR 101 -1.884 1.436 9.618 771 HA TYR 101 HA TYR 101 -1.988 2.886 7.054 772 1HB TYR 101 1HB TYR 101 -3.724 3.086 9.441 773 2HB TYR 101 2HB TYR 101 -3.172 4.624 8.792 774 HD1 TYR 101 HD1 TYR 101 -4.579 1.405 7.457 775 HD2 TYR 101 HD2 TYR 101 -4.593 5.658 7.339 776 HE1 TYR 101 HE1 TYR 101 -6.402 1.353 5.803 777 HE2 TYR 101 HE2 TYR 101 -6.412 5.612 5.691 778 HH TYR 101 HH TYR 101 -7.212 3.192 3.878 779 H LEU 102 H LEU 102 -0.222 4.108 6.798 780 HA LEU 102 HA LEU 102 1.282 4.924 9.184 781 1HB LEU 102 1HB LEU 102 2.585 3.663 7.592 782 2HB LEU 102 2HB LEU 102 2.070 4.703 6.278 783 HG LEU 102 HG LEU 102 3.256 6.544 7.833 784 1HD1 LEU 102 1HD1 LEU 102 5.344 4.560 8.190 785 2HD1 LEU 102 2HD1 LEU 102 3.912 4.207 9.157 786 3HD1 LEU 102 3HD1 LEU 102 4.723 5.764 9.319 787 1HD2 LEU 102 1HD2 LEU 102 5.268 6.223 6.419 788 2HD2 LEU 102 2HD2 LEU 102 3.756 6.224 5.516 789 3HD2 LEU 102 3HD2 LEU 102 4.581 4.702 5.852 790 HA PRO 103 HA PRO 103 -0.179 9.100 8.865 791 1HB PRO 103 1HB PRO 103 2.264 10.322 9.525 792 2HB PRO 103 2HB PRO 103 1.001 9.843 10.655 793 1HG PRO 103 1HG PRO 103 3.500 8.409 9.885 794 2HG PRO 103 2HG PRO 103 2.698 8.505 11.464 795 1HD PRO 103 1HD PRO 103 2.514 6.304 9.969 796 2HD PRO 103 2HD PRO 103 1.111 6.895 10.889 797 H LYS 104 H LYS 104 0.359 11.159 7.674 798 HA LYS 104 HA LYS 104 0.645 10.812 5.010 799 1HB LYS 104 1HB LYS 104 0.377 13.016 6.588 800 2HB LYS 104 2HB LYS 104 1.971 13.283 5.892 801 1HG LYS 104 1HG LYS 104 -0.565 12.777 4.342 802 2HG LYS 104 2HG LYS 104 0.221 14.340 4.561 803 1HD LYS 104 1HD LYS 104 1.786 13.909 2.997 804 2HD LYS 104 2HD LYS 104 1.968 12.233 3.499 805 1HE LYS 104 1HE LYS 104 -0.613 12.625 2.302 806 2HE LYS 104 2HE LYS 104 0.651 13.213 1.222 807 1HZ LYS 104 1HZ LYS 104 0.839 11.078 0.614 808 2HZ LYS 104 2HZ LYS 104 -0.016 10.517 1.964 809 3HZ LYS 104 3HZ LYS 104 1.638 10.843 2.092 810 HA PRO 105 HA PRO 105 5.531 11.675 5.393 811 1HB PRO 105 1HB PRO 105 5.749 10.008 7.868 812 2HB PRO 105 2HB PRO 105 6.738 11.378 7.349 813 1HG PRO 105 1HG PRO 105 4.889 11.661 9.255 814 2HG PRO 105 2HG PRO 105 5.193 12.942 8.068 815 1HD PRO 105 1HD PRO 105 2.911 11.058 8.271 816 2HD PRO 105 2HD PRO 105 2.959 12.703 7.620 817 H PHE 106 H PHE 106 7.089 9.949 4.780 818 HA PHE 106 HA PHE 106 6.430 7.225 4.940 819 1HB PHE 106 1HB PHE 106 4.928 8.673 3.019 820 2HB PHE 106 2HB PHE 106 6.059 7.658 2.135 821 HD1 PHE 106 HD1 PHE 106 6.265 5.233 3.415 822 HD2 PHE 106 HD2 PHE 106 2.840 7.731 3.233 823 HE1 PHE 106 HE1 PHE 106 4.824 3.263 3.736 824 HE2 PHE 106 HE2 PHE 106 1.392 5.775 3.553 825 HZ PHE 106 HZ PHE 106 2.379 3.538 3.808 826 H ASP 107 H ASP 107 7.509 8.751 1.926 827 HA ASP 107 HA ASP 107 9.442 8.375 0.748 828 1HB ASP 107 1HB ASP 107 11.431 9.288 1.837 829 2HB ASP 107 2HB ASP 107 10.029 10.295 2.184 830 H ILE 108 H ILE 108 11.955 7.457 1.415 831 HA ILE 108 HA ILE 108 11.507 4.675 1.514 832 HB ILE 108 HB ILE 108 13.871 6.414 1.322 833 1HG1 ILE 108 1HG1 ILE 108 14.268 5.268 -0.679 834 2HG1 ILE 108 2HG1 ILE 108 13.323 3.874 -0.166 835 1HG2 ILE 108 1HG2 ILE 108 14.526 4.803 3.099 836 2HG2 ILE 108 2HG2 ILE 108 15.490 4.674 1.631 837 3HG2 ILE 108 3HG2 ILE 108 14.225 3.497 1.956 838 1HD1 ILE 108 1HD1 ILE 108 12.174 5.151 -1.870 839 2HD1 ILE 108 2HD1 ILE 108 12.224 6.587 -0.856 840 3HD1 ILE 108 3HD1 ILE 108 11.286 5.189 -0.355 841 H ASP 109 H ASP 109 12.891 6.908 3.812 842 HA ASP 109 HA ASP 109 13.639 5.157 5.785 843 1HB ASP 109 1HB ASP 109 13.773 7.791 5.585 844 2HB ASP 109 2HB ASP 109 12.338 7.717 6.600 845 H GLU 110 H GLU 110 10.490 6.854 5.656 846 HA GLU 110 HA GLU 110 9.466 5.237 7.753 847 1HB GLU 110 1HB GLU 110 7.963 7.164 5.995 848 2HB GLU 110 2HB GLU 110 7.421 6.512 7.530 849 1HG GLU 110 1HG GLU 110 9.981 8.024 7.421 850 2HG GLU 110 2HG GLU 110 8.454 8.904 7.361 851 H ALA 111 H ALA 111 9.291 5.031 4.256 852 HA ALA 111 HA ALA 111 7.083 3.173 4.407 853 1HB ALA 111 1HB ALA 111 8.302 4.671 2.294 854 2HB ALA 111 2HB ALA 111 6.739 3.871 2.341 855 3HB ALA 111 3HB ALA 111 8.173 2.975 1.843 856 H VAL 112 H VAL 112 10.482 2.992 3.342 857 HA VAL 112 HA VAL 112 10.553 0.239 2.993 858 HB VAL 112 HB VAL 112 12.855 1.916 3.968 859 1HG1 VAL 112 1HG1 VAL 112 12.610 -0.832 3.581 860 2HG1 VAL 112 2HG1 VAL 112 14.109 0.086 3.748 861 3HG1 VAL 112 3HG1 VAL 112 13.452 -0.245 2.145 862 1HG2 VAL 112 1HG2 VAL 112 11.491 1.748 1.362 863 2HG2 VAL 112 2HG2 VAL 112 13.251 1.635 1.308 864 3HG2 VAL 112 3HG2 VAL 112 12.479 3.036 2.047 865 H ALA 113 H ALA 113 10.766 2.195 5.834 866 HA ALA 113 HA ALA 113 11.735 0.313 7.678 867 1HB ALA 113 1HB ALA 113 11.562 2.136 8.962 868 2HB ALA 113 2HB ALA 113 9.809 1.941 8.955 869 3HB ALA 113 3HB ALA 113 10.585 2.930 7.726 870 H LEU 114 H LEU 114 8.461 1.293 6.839 871 HA LEU 114 HA LEU 114 7.195 -0.720 8.379 872 1HB LEU 114 1HB LEU 114 6.259 1.529 7.808 873 2HB LEU 114 2HB LEU 114 6.010 0.944 6.174 874 HG LEU 114 HG LEU 114 4.681 -0.966 7.475 875 1HD1 LEU 114 1HD1 LEU 114 4.717 -0.453 9.680 876 2HD1 LEU 114 2HD1 LEU 114 3.349 0.562 9.220 877 3HD1 LEU 114 3HD1 LEU 114 4.956 1.270 9.388 878 1HD2 LEU 114 1HD2 LEU 114 2.657 0.659 7.263 879 2HD2 LEU 114 2HD2 LEU 114 3.530 0.141 5.821 880 3HD2 LEU 114 3HD2 LEU 114 3.841 1.731 6.518 881 H VAL 115 H VAL 115 8.448 -0.691 5.148 882 HA VAL 115 HA VAL 115 6.704 -2.783 4.231 883 HB VAL 115 HB VAL 115 7.760 -1.096 2.678 884 1HG1 VAL 115 1HG1 VAL 115 10.159 -2.905 2.781 885 2HG1 VAL 115 2HG1 VAL 115 10.061 -1.388 3.664 886 3HG1 VAL 115 3HG1 VAL 115 9.973 -1.384 1.908 887 1HG2 VAL 115 1HG2 VAL 115 8.529 -3.334 1.196 888 2HG2 VAL 115 2HG2 VAL 115 6.942 -2.568 1.234 889 3HG2 VAL 115 3HG2 VAL 115 7.295 -3.916 2.314 890 H GLU 116 H GLU 116 10.174 -2.653 5.045 891 HA GLU 116 HA GLU 116 10.613 -5.412 4.690 892 1HB GLU 116 1HB GLU 116 12.095 -3.321 6.283 893 2HB GLU 116 2HB GLU 116 12.659 -4.980 6.121 894 1HG GLU 116 1HG GLU 116 12.328 -4.403 3.533 895 2HG GLU 116 2HG GLU 116 12.630 -2.778 4.147 896 H ARG 117 H ARG 117 9.904 -3.472 7.577 897 HA ARG 117 HA ARG 117 9.986 -5.582 9.428 898 1HB ARG 117 1HB ARG 117 8.533 -2.940 9.464 899 2HB ARG 117 2HB ARG 117 8.526 -4.050 10.827 900 1HG ARG 117 1HG ARG 117 11.084 -3.922 10.689 901 2HG ARG 117 2HG ARG 117 10.815 -2.499 9.681 902 1HD ARG 117 1HD ARG 117 9.145 -2.288 11.968 903 2HD ARG 117 2HD ARG 117 10.765 -2.706 12.515 904 HE ARG 117 HE ARG 117 10.073 -0.338 10.907 905 1HH1 ARG 117 1HH1 ARG 117 12.236 -2.003 13.098 906 2HH1 ARG 117 2HH1 ARG 117 13.237 -0.615 13.349 907 1HH2 ARG 117 1HH2 ARG 117 11.397 1.475 11.245 908 2HH2 ARG 117 2HH2 ARG 117 12.764 1.353 12.301 909 H ALA 118 H ALA 118 7.572 -4.549 7.185 910 HA ALA 118 HA ALA 118 5.360 -5.870 8.375 911 1HB ALA 118 1HB ALA 118 4.311 -5.555 6.111 912 2HB ALA 118 2HB ALA 118 5.831 -4.828 5.592 913 3HB ALA 118 3HB ALA 118 4.893 -4.082 6.885 914 H ILE 119 H ILE 119 7.357 -6.664 5.531 915 HA ILE 119 HA ILE 119 6.204 -9.210 5.142 916 HB ILE 119 HB ILE 119 8.931 -8.304 4.238 917 1HG1 ILE 119 1HG1 ILE 119 6.618 -8.150 2.396 918 2HG1 ILE 119 2HG1 ILE 119 6.654 -6.953 3.687 919 1HG2 ILE 119 1HG2 ILE 119 8.713 -10.628 3.879 920 2HG2 ILE 119 2HG2 ILE 119 8.392 -9.860 2.323 921 3HG2 ILE 119 3HG2 ILE 119 7.054 -10.458 3.305 922 1HD1 ILE 119 1HD1 ILE 119 8.747 -6.116 2.961 923 2HD1 ILE 119 2HD1 ILE 119 7.704 -6.240 1.543 924 3HD1 ILE 119 3HD1 ILE 119 8.954 -7.453 1.828 925 H SER 120 H SER 120 8.881 -8.059 7.033 926 HA SER 120 HA SER 120 10.065 -10.579 7.557 927 1HB SER 120 1HB SER 120 10.425 -7.823 8.479 928 2HB SER 120 2HB SER 120 10.766 -9.030 9.715 929 HG SER 120 HG SER 120 12.109 -8.466 7.365 930 H HIS 121 H HIS 121 7.654 -8.624 9.235 931 HA HIS 121 HA HIS 121 7.457 -10.107 11.585 932 1HB HIS 121 1HB HIS 121 5.598 -8.300 10.101 933 2HB HIS 121 2HB HIS 121 4.964 -9.246 11.444 934 HD1 HIS 121 HD1 HIS 121 8.197 -8.648 12.568 935 HD2 HIS 121 HD2 HIS 121 4.890 -6.185 12.064 936 HE1 HIS 121 HE1 HIS 121 8.603 -6.666 14.059 937 HE2 HIS 121 HE2 HIS 121 6.626 -5.152 13.677 938 H TYR 122 H TYR 122 6.284 -10.771 8.406 939 HA TYR 122 HA TYR 122 4.492 -12.850 9.269 940 1HB TYR 122 1HB TYR 122 5.301 -11.746 6.599 941 2HB TYR 122 2HB TYR 122 4.423 -13.269 6.704 942 HD1 TYR 122 HD1 TYR 122 3.893 -10.062 5.895 943 HD2 TYR 122 HD2 TYR 122 2.437 -12.901 8.710 944 HE1 TYR 122 HE1 TYR 122 1.773 -8.822 6.042 945 HE2 TYR 122 HE2 TYR 122 0.315 -11.670 8.864 946 HH TYR 122 HH TYR 122 -0.240 -8.700 6.991 947 H GLN 123 H GLN 123 7.489 -12.685 7.362 948 HA GLN 123 HA GLN 123 7.846 -15.519 7.379 949 1HB GLN 123 1HB GLN 123 8.744 -13.569 5.753 950 2HB GLN 123 2HB GLN 123 10.152 -13.754 6.789 951 1HG GLN 123 1HG GLN 123 10.230 -16.139 6.244 952 2HG GLN 123 2HG GLN 123 8.829 -15.937 5.193 953 1HE2 GLN 123 1HE2 GLN 123 12.172 -14.964 5.693 954 2HE2 GLN 123 2HE2 GLN 123 12.516 -14.628 4.033 955 H GLU 124 H GLU 124 10.119 -16.350 8.092 956 HA GLU 124 HA GLU 124 11.534 -16.866 9.795 957 1HB GLU 124 1HB GLU 124 11.258 -13.918 10.005 958 2HB GLU 124 2HB GLU 124 11.940 -14.748 11.396 959 1HG GLU 124 1HG GLU 124 13.313 -15.853 9.292 960 2HG GLU 124 2HG GLU 124 13.112 -14.173 8.798 Start of MODEL 22 1 1H MET 1 1H MET 1 8.047 -16.827 -2.129 2 2H MET 1 2H MET 1 8.377 -15.671 -3.351 3 3H MET 1 3H MET 1 8.529 -15.241 -1.697 4 HA MET 1 HA MET 1 10.421 -16.417 -1.403 5 1HB MET 1 1HB MET 1 9.128 -18.166 -3.268 6 2HB MET 1 2HB MET 1 10.778 -17.890 -3.807 7 1HG MET 1 1HG MET 1 11.685 -18.760 -1.826 8 2HG MET 1 2HG MET 1 10.141 -18.665 -0.983 9 1HE MET 1 1HE MET 1 11.850 -22.308 -2.748 10 2HE MET 1 2HE MET 1 12.377 -21.180 -1.501 11 3HE MET 1 3HE MET 1 12.491 -20.730 -3.203 12 H GLN 2 H GLN 2 9.616 -15.647 -4.802 13 HA GLN 2 HA GLN 2 12.039 -13.972 -4.872 14 1HB GLN 2 1HB GLN 2 11.969 -16.154 -6.284 15 2HB GLN 2 2HB GLN 2 10.908 -15.230 -7.340 16 1HG GLN 2 1HG GLN 2 12.802 -13.454 -7.251 17 2HG GLN 2 2HG GLN 2 13.799 -14.813 -6.734 18 1HE2 GLN 2 1HE2 GLN 2 14.487 -16.250 -8.205 19 2HE2 GLN 2 2HE2 GLN 2 14.109 -16.189 -9.890 20 H ARG 3 H ARG 3 8.657 -14.125 -5.399 21 HA ARG 3 HA ARG 3 8.464 -11.957 -7.224 22 1HB ARG 3 1HB ARG 3 6.732 -13.843 -6.613 23 2HB ARG 3 2HB ARG 3 6.198 -12.669 -5.418 24 1HG ARG 3 1HG ARG 3 5.007 -11.645 -6.969 25 2HG ARG 3 2HG ARG 3 6.489 -11.283 -7.856 26 1HD ARG 3 1HD ARG 3 5.586 -14.036 -8.204 27 2HD ARG 3 2HD ARG 3 4.404 -12.848 -8.747 28 HE ARG 3 HE ARG 3 5.850 -12.191 -10.428 29 1HH1 ARG 3 1HH1 ARG 3 7.447 -14.444 -8.287 30 2HH1 ARG 3 2HH1 ARG 3 8.783 -14.699 -9.356 31 1HH2 ARG 3 1HH2 ARG 3 7.617 -12.527 -11.826 32 2HH2 ARG 3 2HH2 ARG 3 8.880 -13.615 -11.359 33 H GLY 4 H GLY 4 10.147 -11.035 -5.325 34 1HA GLY 4 1HA GLY 4 8.895 -9.574 -3.226 35 2HA GLY 4 2HA GLY 4 10.524 -9.318 -3.837 36 H ILE 5 H ILE 5 7.119 -8.593 -4.398 37 HA ILE 5 HA ILE 5 7.963 -6.290 -6.036 38 HB ILE 5 HB ILE 5 5.177 -7.391 -6.035 39 1HG1 ILE 5 1HG1 ILE 5 6.253 -9.342 -6.694 40 2HG1 ILE 5 2HG1 ILE 5 5.946 -8.539 -8.228 41 1HG2 ILE 5 1HG2 ILE 5 6.162 -5.146 -7.114 42 2HG2 ILE 5 2HG2 ILE 5 4.815 -6.048 -7.806 43 3HG2 ILE 5 3HG2 ILE 5 6.442 -6.268 -8.444 44 1HD1 ILE 5 1HD1 ILE 5 8.082 -8.957 -8.658 45 2HD1 ILE 5 2HD1 ILE 5 8.463 -9.271 -6.967 46 3HD1 ILE 5 3HD1 ILE 5 8.436 -7.613 -7.574 47 H VAL 6 H VAL 6 7.815 -4.403 -5.068 48 HA VAL 6 HA VAL 6 5.789 -4.024 -2.967 49 HB VAL 6 HB VAL 6 7.970 -3.538 -2.093 50 1HG1 VAL 6 1HG1 VAL 6 8.495 -2.645 -4.746 51 2HG1 VAL 6 2HG1 VAL 6 9.627 -2.946 -3.433 52 3HG1 VAL 6 3HG1 VAL 6 8.892 -1.357 -3.618 53 1HG2 VAL 6 1HG2 VAL 6 7.755 -1.108 -1.588 54 2HG2 VAL 6 2HG2 VAL 6 6.269 -2.017 -1.352 55 3HG2 VAL 6 3HG2 VAL 6 6.468 -1.017 -2.786 56 H TRP 7 H TRP 7 4.079 -2.802 -3.460 57 HA TRP 7 HA TRP 7 4.322 -0.962 -5.744 58 1HB TRP 7 1HB TRP 7 2.034 -2.698 -4.841 59 2HB TRP 7 2HB TRP 7 1.765 -1.294 -5.874 60 HD1 TRP 7 HD1 TRP 7 4.981 -2.587 -6.897 61 HE1 TRP 7 HE1 TRP 7 4.799 -4.105 -8.957 62 HE3 TRP 7 HE3 TRP 7 -0.059 -3.394 -6.835 63 HZ2 TRP 7 HZ2 TRP 7 2.779 -5.484 -10.366 64 HZ3 TRP 7 HZ3 TRP 7 -1.040 -4.827 -8.574 65 HH2 TRP 7 HH2 TRP 7 0.352 -5.852 -10.303 66 H VAL 8 H VAL 8 3.560 1.105 -5.542 67 HA VAL 8 HA VAL 8 2.562 1.867 -2.882 68 HB VAL 8 HB VAL 8 4.179 3.898 -4.270 69 1HG1 VAL 8 1HG1 VAL 8 3.363 3.218 -1.595 70 2HG1 VAL 8 2HG1 VAL 8 4.011 4.731 -2.221 71 3HG1 VAL 8 3HG1 VAL 8 5.104 3.465 -1.669 72 1HG2 VAL 8 1HG2 VAL 8 5.380 1.292 -3.420 73 2HG2 VAL 8 2HG2 VAL 8 6.294 2.788 -3.239 74 3HG2 VAL 8 3HG2 VAL 8 5.737 2.286 -4.834 75 H VAL 9 H VAL 9 0.908 3.250 -2.806 76 HA VAL 9 HA VAL 9 0.096 4.545 -5.317 77 HB VAL 9 HB VAL 9 -1.459 2.795 -3.517 78 1HG1 VAL 9 1HG1 VAL 9 -2.385 5.475 -3.947 79 2HG1 VAL 9 2HG1 VAL 9 -3.152 4.157 -3.066 80 3HG1 VAL 9 3HG1 VAL 9 -3.405 4.328 -4.785 81 1HG2 VAL 9 1HG2 VAL 9 -2.722 2.527 -5.736 82 2HG2 VAL 9 2HG2 VAL 9 -1.037 1.987 -5.663 83 3HG2 VAL 9 3HG2 VAL 9 -1.433 3.532 -6.405 84 H ASP 10 H ASP 10 0.516 6.608 -5.083 85 HA ASP 10 HA ASP 10 -0.719 8.195 -3.032 86 1HB ASP 10 1HB ASP 10 1.400 7.272 -1.955 87 2HB ASP 10 2HB ASP 10 2.297 8.236 -3.122 88 H ASP 11 H ASP 11 1.264 10.344 -3.464 89 HA ASP 11 HA ASP 11 0.073 11.539 -5.719 90 1HB ASP 11 1HB ASP 11 2.369 12.251 -3.930 91 2HB ASP 11 2HB ASP 11 2.090 13.184 -5.396 92 H ASP 12 H ASP 12 2.337 9.130 -5.646 93 HA ASP 12 HA ASP 12 3.713 8.207 -7.183 94 1HB ASP 12 1HB ASP 12 1.547 8.976 -8.539 95 2HB ASP 12 2HB ASP 12 2.731 9.999 -9.345 96 H SER 13 H SER 13 4.629 9.780 -9.625 97 HA SER 13 HA SER 13 6.709 10.620 -10.102 98 1HB SER 13 1HB SER 13 4.847 12.388 -10.083 99 2HB SER 13 2HB SER 13 5.667 13.027 -8.661 100 HG SER 13 HG SER 13 6.801 12.640 -11.234 101 H SER 14 H SER 14 6.496 12.656 -7.273 102 HA SER 14 HA SER 14 9.148 12.325 -6.535 103 1HB SER 14 1HB SER 14 6.718 13.406 -5.193 104 2HB SER 14 2HB SER 14 8.122 13.069 -4.182 105 HG SER 14 HG SER 14 7.711 15.082 -5.964 106 H ILE 15 H ILE 15 6.267 10.807 -5.069 107 HA ILE 15 HA ILE 15 7.695 9.227 -3.234 108 HB ILE 15 HB ILE 15 5.010 8.529 -4.414 109 1HG1 ILE 15 1HG1 ILE 15 5.033 10.870 -3.619 110 2HG1 ILE 15 2HG1 ILE 15 4.003 9.848 -2.623 111 1HG2 ILE 15 1HG2 ILE 15 5.544 8.016 -1.583 112 2HG2 ILE 15 2HG2 ILE 15 6.576 7.106 -2.689 113 3HG2 ILE 15 3HG2 ILE 15 4.820 6.974 -2.811 114 1HD1 ILE 15 1HD1 ILE 15 5.854 11.582 -1.676 115 2HD1 ILE 15 2HD1 ILE 15 6.763 10.071 -1.678 116 3HD1 ILE 15 3HD1 ILE 15 5.242 10.183 -0.793 117 H ARG 16 H ARG 16 6.830 8.752 -6.561 118 HA ARG 16 HA ARG 16 7.394 5.960 -6.646 119 1HB ARG 16 1HB ARG 16 5.911 7.055 -8.269 120 2HB ARG 16 2HB ARG 16 7.272 7.977 -8.890 121 1HG ARG 16 1HG ARG 16 8.139 5.362 -9.057 122 2HG ARG 16 2HG ARG 16 6.434 5.266 -9.494 123 1HD ARG 16 1HD ARG 16 7.732 7.532 -10.745 124 2HD ARG 16 2HD ARG 16 8.542 6.021 -11.141 125 HE ARG 16 HE ARG 16 5.894 5.494 -11.534 126 1HH1 ARG 16 1HH1 ARG 16 8.142 7.880 -12.733 127 2HH1 ARG 16 2HH1 ARG 16 7.346 8.048 -14.261 128 1HH2 ARG 16 1HH2 ARG 16 4.841 5.718 -13.553 129 2HH2 ARG 16 2HH2 ARG 16 5.474 6.824 -14.726 130 H TRP 17 H TRP 17 9.194 8.784 -7.893 131 HA TRP 17 HA TRP 17 11.406 7.472 -8.867 132 1HB TRP 17 1HB TRP 17 10.952 9.914 -9.106 133 2HB TRP 17 2HB TRP 17 11.496 10.133 -7.445 134 HD1 TRP 17 HD1 TRP 17 12.892 8.856 -10.825 135 HE1 TRP 17 HE1 TRP 17 15.417 9.348 -10.881 136 HE3 TRP 17 HE3 TRP 17 13.459 10.746 -6.108 137 HZ2 TRP 17 HZ2 TRP 17 17.388 10.395 -9.157 138 HZ3 TRP 17 HZ3 TRP 17 15.699 11.469 -5.389 139 HH2 TRP 17 HH2 TRP 17 17.623 11.297 -6.885 140 H VAL 18 H VAL 18 10.842 8.529 -5.531 141 HA VAL 18 HA VAL 18 13.406 7.799 -4.617 142 HB VAL 18 HB VAL 18 11.070 7.756 -2.766 143 1HG1 VAL 18 1HG1 VAL 18 12.592 8.432 -1.155 144 2HG1 VAL 18 2HG1 VAL 18 13.715 9.091 -2.343 145 3HG1 VAL 18 3HG1 VAL 18 13.542 7.344 -2.164 146 1HG2 VAL 18 1HG2 VAL 18 12.046 10.407 -2.871 147 2HG2 VAL 18 2HG2 VAL 18 10.425 9.826 -3.237 148 3HG2 VAL 18 3HG2 VAL 18 11.630 9.941 -4.518 149 H LEU 19 H LEU 19 10.321 6.228 -3.917 150 HA LEU 19 HA LEU 19 11.495 3.915 -2.841 151 1HB LEU 19 1HB LEU 19 8.774 4.789 -3.522 152 2HB LEU 19 2HB LEU 19 9.011 3.061 -3.490 153 HG LEU 19 HG LEU 19 9.562 4.948 -1.217 154 1HD1 LEU 19 1HD1 LEU 19 7.628 3.971 -0.178 155 2HD1 LEU 19 2HD1 LEU 19 7.415 2.859 -1.533 156 3HD1 LEU 19 3HD1 LEU 19 7.184 4.592 -1.768 157 1HD2 LEU 19 1HD2 LEU 19 9.977 2.929 0.099 158 2HD2 LEU 19 2HD2 LEU 19 11.115 3.043 -1.239 159 3HD2 LEU 19 3HD2 LEU 19 9.747 1.934 -1.337 160 H GLU 20 H GLU 20 10.899 4.739 -6.144 161 HA GLU 20 HA GLU 20 10.730 2.086 -7.130 162 1HB GLU 20 1HB GLU 20 11.020 2.963 -9.310 163 2HB GLU 20 2HB GLU 20 10.039 4.108 -8.427 164 1HG GLU 20 1HG GLU 20 11.979 5.545 -8.146 165 2HG GLU 20 2HG GLU 20 12.969 4.380 -9.014 166 H ARG 21 H ARG 21 13.438 4.372 -7.168 167 HA ARG 21 HA ARG 21 15.263 2.321 -7.952 168 1HB ARG 21 1HB ARG 21 15.759 5.158 -7.057 169 2HB ARG 21 2HB ARG 21 17.001 4.081 -7.678 170 1HG ARG 21 1HG ARG 21 14.766 4.181 -9.480 171 2HG ARG 21 2HG ARG 21 15.361 5.805 -9.136 172 1HD ARG 21 1HD ARG 21 16.912 3.464 -10.231 173 2HD ARG 21 2HD ARG 21 16.534 4.978 -11.045 174 HE ARG 21 HE ARG 21 18.151 6.072 -9.715 175 1HH1 ARG 21 1HH1 ARG 21 18.042 2.628 -9.130 176 2HH1 ARG 21 2HH1 ARG 21 19.607 2.582 -8.393 177 1HH2 ARG 21 1HH2 ARG 21 20.215 5.997 -8.743 178 2HH2 ARG 21 2HH2 ARG 21 20.834 4.483 -8.173 179 H ALA 22 H ALA 22 14.795 4.128 -4.916 180 HA ALA 22 HA ALA 22 16.908 2.994 -3.517 181 1HB ALA 22 1HB ALA 22 15.112 3.375 -1.531 182 2HB ALA 22 2HB ALA 22 14.469 4.425 -2.791 183 3HB ALA 22 3HB ALA 22 16.123 4.641 -2.227 184 H LEU 23 H LEU 23 13.520 1.976 -3.378 185 HA LEU 23 HA LEU 23 14.036 -0.329 -1.865 186 1HB LEU 23 1HB LEU 23 11.765 0.840 -3.181 187 2HB LEU 23 2HB LEU 23 11.795 -0.884 -3.479 188 HG LEU 23 HG LEU 23 11.685 0.502 -0.803 189 1HD1 LEU 23 1HD1 LEU 23 9.493 -0.012 -0.753 190 2HD1 LEU 23 2HD1 LEU 23 9.718 -1.546 -1.601 191 3HD1 LEU 23 3HD1 LEU 23 9.666 -0.035 -2.509 192 1HD2 LEU 23 1HD2 LEU 23 11.459 -2.437 -0.975 193 2HD2 LEU 23 2HD2 LEU 23 12.157 -1.421 0.287 194 3HD2 LEU 23 3HD2 LEU 23 13.076 -1.766 -1.176 195 H ALA 24 H ALA 24 14.281 0.357 -5.266 196 HA ALA 24 HA ALA 24 14.344 -2.288 -6.236 197 1HB ALA 24 1HB ALA 24 15.328 0.339 -7.255 198 2HB ALA 24 2HB ALA 24 14.184 -0.791 -7.976 199 3HB ALA 24 3HB ALA 24 15.912 -1.134 -8.027 200 H GLY 25 H GLY 25 16.737 -0.228 -4.698 201 1HA GLY 25 1HA GLY 25 19.009 -1.868 -5.219 202 2HA GLY 25 2HA GLY 25 18.875 -0.652 -3.955 203 H ALA 26 H ALA 26 16.406 -2.033 -2.931 204 HA ALA 26 HA ALA 26 17.734 -3.758 -1.082 205 1HB ALA 26 1HB ALA 26 16.067 -2.716 0.051 206 2HB ALA 26 2HB ALA 26 15.145 -4.119 -0.483 207 3HB ALA 26 3HB ALA 26 15.033 -2.602 -1.373 208 H GLY 27 H GLY 27 16.254 -4.169 -4.122 209 1HA GLY 27 1HA GLY 27 16.516 -6.227 -5.300 210 2HA GLY 27 2HA GLY 27 16.385 -7.083 -3.771 211 H LEU 28 H LEU 28 14.109 -4.539 -4.541 212 HA LEU 28 HA LEU 28 12.138 -6.599 -5.178 213 1HB LEU 28 1HB LEU 28 11.173 -4.187 -3.771 214 2HB LEU 28 2HB LEU 28 10.623 -5.849 -3.660 215 HG LEU 28 HG LEU 28 12.989 -6.138 -2.465 216 1HD1 LEU 28 1HD1 LEU 28 12.895 -3.932 -0.927 217 2HD1 LEU 28 2HD1 LEU 28 12.473 -3.263 -2.507 218 3HD1 LEU 28 3HD1 LEU 28 13.981 -4.151 -2.300 219 1HD2 LEU 28 1HD2 LEU 28 10.298 -5.955 -1.663 220 2HD2 LEU 28 2HD2 LEU 28 11.236 -5.019 -0.499 221 3HD2 LEU 28 3HD2 LEU 28 11.636 -6.711 -0.796 222 H THR 29 H THR 29 10.088 -5.599 -6.095 223 HA THR 29 HA THR 29 10.869 -3.652 -8.157 224 HB THR 29 HB THR 29 8.633 -5.689 -8.069 225 HG1 THR 29 HG1 THR 29 9.813 -6.788 -9.473 226 1HG2 THR 29 1HG2 THR 29 7.527 -4.610 -9.637 227 2HG2 THR 29 2HG2 THR 29 8.952 -4.638 -10.672 228 3HG2 THR 29 3HG2 THR 29 8.692 -3.289 -9.569 229 H CYS 30 H CYS 30 10.396 -1.648 -7.465 230 HA CYS 30 HA CYS 30 7.890 -1.232 -6.003 231 1HB CYS 30 1HB CYS 30 10.170 -0.474 -5.093 232 2HB CYS 30 2HB CYS 30 10.034 0.826 -6.271 233 HG CYS 30 HG CYS 30 8.031 1.768 -5.013 234 H THR 31 H THR 31 6.231 -0.650 -7.189 235 HA THR 31 HA THR 31 6.639 1.351 -9.309 236 HB THR 31 HB THR 31 5.984 -1.056 -10.069 237 HG1 THR 31 HG1 THR 31 5.695 0.322 -11.656 238 1HG2 THR 31 1HG2 THR 31 3.953 -0.786 -8.265 239 2HG2 THR 31 2HG2 THR 31 3.981 -1.917 -9.617 240 3HG2 THR 31 3HG2 THR 31 3.173 -0.361 -9.785 241 H THR 32 H THR 32 4.774 2.822 -9.569 242 HA THR 32 HA THR 32 3.159 2.939 -7.125 243 HB THR 32 HB THR 32 3.439 5.338 -7.036 244 HG1 THR 32 HG1 THR 32 3.748 5.420 -9.454 245 1HG2 THR 32 1HG2 THR 32 5.522 5.392 -6.154 246 2HG2 THR 32 2HG2 THR 32 6.244 4.556 -7.527 247 3HG2 THR 32 3HG2 THR 32 5.360 3.641 -6.306 248 H PHE 33 H PHE 33 1.168 4.126 -7.254 249 HA PHE 33 HA PHE 33 0.105 4.436 -9.965 250 1HB PHE 33 1HB PHE 33 -1.502 3.108 -7.811 251 2HB PHE 33 2HB PHE 33 -1.836 3.205 -9.517 252 HD1 PHE 33 HD1 PHE 33 -1.611 1.303 -10.686 253 HD2 PHE 33 HD2 PHE 33 0.937 1.926 -7.336 254 HE1 PHE 33 HE1 PHE 33 -0.606 -0.895 -11.051 255 HE2 PHE 33 HE2 PHE 33 1.968 -0.282 -7.710 256 HZ PHE 33 HZ PHE 33 1.167 -1.712 -9.575 257 H GLU 34 H GLU 34 -2.157 5.450 -9.876 258 HA GLU 34 HA GLU 34 -1.945 7.994 -8.710 259 1HB GLU 34 1HB GLU 34 -3.767 8.533 -9.960 260 2HB GLU 34 2HB GLU 34 -3.314 7.051 -10.774 261 1HG GLU 34 1HG GLU 34 -5.113 6.335 -8.697 262 2HG GLU 34 2HG GLU 34 -5.782 7.735 -9.521 263 H ASN 35 H ASN 35 -4.086 5.290 -7.870 264 HA ASN 35 HA ASN 35 -4.125 6.056 -5.124 265 1HB ASN 35 1HB ASN 35 -5.912 7.433 -6.625 266 2HB ASN 35 2HB ASN 35 -6.875 6.023 -6.193 267 1HD2 ASN 35 1HD2 ASN 35 -7.861 6.044 -4.302 268 2HD2 ASN 35 2HD2 ASN 35 -7.518 7.116 -2.992 269 H GLY 36 H GLY 36 -5.626 4.548 -3.869 270 1HA GLY 36 1HA GLY 36 -4.970 1.948 -4.238 271 2HA GLY 36 2HA GLY 36 -6.462 2.427 -3.462 272 H ASN 37 H ASN 37 -7.442 3.677 -6.011 273 HA ASN 37 HA ASN 37 -8.838 1.453 -7.025 274 1HB ASN 37 1HB ASN 37 -9.086 4.209 -7.245 275 2HB ASN 37 2HB ASN 37 -8.745 3.680 -8.890 276 1HD2 ASN 37 1HD2 ASN 37 -10.533 2.127 -6.257 277 2HD2 ASN 37 2HD2 ASN 37 -12.018 1.967 -7.126 278 H GLU 38 H GLU 38 -6.128 3.348 -8.385 279 HA GLU 38 HA GLU 38 -5.864 2.046 -10.800 280 1HB GLU 38 1HB GLU 38 -4.496 4.007 -9.769 281 2HB GLU 38 2HB GLU 38 -3.443 2.730 -9.190 282 1HG GLU 38 1HG GLU 38 -2.404 2.776 -11.139 283 2HG GLU 38 2HG GLU 38 -3.875 2.156 -11.884 284 H VAL 39 H VAL 39 -4.259 1.135 -7.686 285 HA VAL 39 HA VAL 39 -2.866 -1.077 -8.568 286 HB VAL 39 HB VAL 39 -4.395 -1.011 -5.964 287 1HG1 VAL 39 1HG1 VAL 39 -3.212 -3.141 -6.835 288 2HG1 VAL 39 2HG1 VAL 39 -2.952 -2.635 -5.171 289 3HG1 VAL 39 3HG1 VAL 39 -1.731 -2.298 -6.395 290 1HG2 VAL 39 1HG2 VAL 39 -2.280 -0.074 -5.035 291 2HG2 VAL 39 2HG2 VAL 39 -3.165 1.009 -6.102 292 3HG2 VAL 39 3HG2 VAL 39 -1.731 0.174 -6.692 293 H LEU 40 H LEU 40 -6.281 -0.879 -7.723 294 HA LEU 40 HA LEU 40 -6.989 -3.541 -7.759 295 1HB LEU 40 1HB LEU 40 -8.690 -1.449 -9.081 296 2HB LEU 40 2HB LEU 40 -9.207 -2.876 -8.204 297 HG LEU 40 HG LEU 40 -7.921 -0.444 -6.966 298 1HD1 LEU 40 1HD1 LEU 40 -10.113 0.113 -7.700 299 2HD1 LEU 40 2HD1 LEU 40 -10.175 -0.163 -5.959 300 3HD1 LEU 40 3HD1 LEU 40 -10.764 -1.397 -7.069 301 1HD2 LEU 40 1HD2 LEU 40 -9.201 -1.921 -5.013 302 2HD2 LEU 40 2HD2 LEU 40 -7.457 -1.834 -5.285 303 3HD2 LEU 40 3HD2 LEU 40 -8.398 -3.138 -6.005 304 H ALA 41 H ALA 41 -6.776 -1.315 -10.513 305 HA ALA 41 HA ALA 41 -7.517 -3.182 -12.483 306 1HB ALA 41 1HB ALA 41 -7.408 -0.656 -12.685 307 2HB ALA 41 2HB ALA 41 -6.851 -1.589 -14.072 308 3HB ALA 41 3HB ALA 41 -5.680 -0.864 -12.970 309 H ALA 42 H ALA 42 -4.345 -2.111 -11.413 310 HA ALA 42 HA ALA 42 -2.835 -3.727 -13.152 311 1HB ALA 42 1HB ALA 42 -2.188 -1.701 -11.591 312 2HB ALA 42 2HB ALA 42 -0.992 -2.893 -12.096 313 3HB ALA 42 3HB ALA 42 -1.719 -3.000 -10.494 314 H LEU 43 H LEU 43 -3.985 -4.276 -9.848 315 HA LEU 43 HA LEU 43 -2.583 -6.631 -9.345 316 1HB LEU 43 1HB LEU 43 -5.118 -5.494 -8.248 317 2HB LEU 43 2HB LEU 43 -4.582 -7.101 -7.779 318 HG LEU 43 HG LEU 43 -2.898 -4.640 -7.463 319 1HD1 LEU 43 1HD1 LEU 43 -4.551 -6.103 -5.409 320 2HD1 LEU 43 2HD1 LEU 43 -4.943 -4.526 -6.092 321 3HD1 LEU 43 3HD1 LEU 43 -3.491 -4.725 -5.111 322 1HD2 LEU 43 1HD2 LEU 43 -1.837 -6.310 -5.800 323 2HD2 LEU 43 2HD2 LEU 43 -1.467 -6.440 -7.514 324 3HD2 LEU 43 3HD2 LEU 43 -2.648 -7.524 -6.783 325 H ALA 44 H ALA 44 -5.300 -6.106 -11.370 326 HA ALA 44 HA ALA 44 -6.567 -8.580 -11.273 327 1HB ALA 44 1HB ALA 44 -6.697 -6.273 -12.888 328 2HB ALA 44 2HB ALA 44 -7.855 -7.599 -12.784 329 3HB ALA 44 3HB ALA 44 -6.552 -7.658 -13.971 330 H SER 45 H SER 45 -3.405 -7.882 -12.345 331 HA SER 45 HA SER 45 -3.284 -10.492 -13.639 332 1HB SER 45 1HB SER 45 -2.565 -7.914 -14.710 333 2HB SER 45 2HB SER 45 -1.163 -8.984 -14.684 334 HG SER 45 HG SER 45 -2.000 -9.882 -16.374 335 H LYS 46 H LYS 46 -2.172 -8.682 -11.048 336 HA LYS 46 HA LYS 46 -0.261 -10.685 -10.344 337 1HB LYS 46 1HB LYS 46 0.865 -8.949 -11.971 338 2HB LYS 46 2HB LYS 46 0.939 -7.958 -10.521 339 1HG LYS 46 1HG LYS 46 1.896 -10.474 -9.760 340 2HG LYS 46 2HG LYS 46 2.618 -10.135 -11.332 341 1HD LYS 46 1HD LYS 46 2.716 -7.761 -9.746 342 2HD LYS 46 2HD LYS 46 3.362 -9.108 -8.803 343 1HE LYS 46 1HE LYS 46 5.097 -9.478 -10.263 344 2HE LYS 46 2HE LYS 46 4.228 -8.791 -11.634 345 1HZ LYS 46 1HZ LYS 46 5.210 -6.853 -11.277 346 2HZ LYS 46 2HZ LYS 46 6.124 -7.548 -10.035 347 3HZ LYS 46 3HZ LYS 46 4.650 -6.799 -9.682 348 H THR 47 H THR 47 0.842 -10.153 -8.230 349 HA THR 47 HA THR 47 -0.634 -8.240 -6.625 350 HB THR 47 HB THR 47 -0.210 -11.111 -5.805 351 HG1 THR 47 HG1 THR 47 -2.453 -9.693 -6.745 352 1HG2 THR 47 1HG2 THR 47 -0.222 -10.041 -3.773 353 2HG2 THR 47 2HG2 THR 47 -1.947 -10.339 -4.025 354 3HG2 THR 47 3HG2 THR 47 -1.274 -8.743 -4.348 355 HA PRO 48 HA PRO 48 3.598 -7.632 -5.294 356 1HB PRO 48 1HB PRO 48 3.229 -5.370 -3.906 357 2HB PRO 48 2HB PRO 48 3.165 -5.384 -5.673 358 1HG PRO 48 1HG PRO 48 0.920 -5.362 -3.697 359 2HG PRO 48 2HG PRO 48 1.078 -4.469 -5.220 360 1HD PRO 48 1HD PRO 48 -0.369 -6.790 -4.917 361 2HD PRO 48 2HD PRO 48 0.302 -6.223 -6.458 362 H ASP 49 H ASP 49 4.765 -7.791 -3.327 363 HA ASP 49 HA ASP 49 3.424 -9.323 -1.321 364 1HB ASP 49 1HB ASP 49 6.250 -8.255 -1.463 365 2HB ASP 49 2HB ASP 49 5.665 -9.331 -0.199 366 H VAL 50 H VAL 50 4.285 -5.969 -1.662 367 HA VAL 50 HA VAL 50 2.963 -5.438 0.887 368 HB VAL 50 HB VAL 50 5.249 -5.535 1.576 369 1HG1 VAL 50 1HG1 VAL 50 5.915 -4.889 -0.952 370 2HG1 VAL 50 2HG1 VAL 50 7.032 -4.799 0.408 371 3HG1 VAL 50 3HG1 VAL 50 6.204 -3.349 -0.148 372 1HG2 VAL 50 1HG2 VAL 50 4.296 -3.859 2.813 373 2HG2 VAL 50 2HG2 VAL 50 3.972 -2.849 1.407 374 3HG2 VAL 50 3HG2 VAL 50 5.605 -2.964 2.050 375 H LEU 51 H LEU 51 1.281 -4.551 -0.242 376 HA LEU 51 HA LEU 51 1.747 -2.408 -2.128 377 1HB LEU 51 1HB LEU 51 0.026 -4.002 -2.633 378 2HB LEU 51 2HB LEU 51 -0.760 -3.711 -1.093 379 HG LEU 51 HG LEU 51 -1.150 -1.329 -1.890 380 1HD1 LEU 51 1HD1 LEU 51 -0.778 -0.732 -4.074 381 2HD1 LEU 51 2HD1 LEU 51 -0.805 -2.398 -4.647 382 3HD1 LEU 51 3HD1 LEU 51 0.605 -1.784 -3.789 383 1HD2 LEU 51 1HD2 LEU 51 -2.434 -3.558 -3.461 384 2HD2 LEU 51 2HD2 LEU 51 -3.110 -1.955 -3.169 385 3HD2 LEU 51 3HD2 LEU 51 -2.887 -3.078 -1.826 386 H LEU 52 H LEU 52 1.160 -0.297 -1.907 387 HA LEU 52 HA LEU 52 0.322 0.621 0.764 388 1HB LEU 52 1HB LEU 52 2.395 1.783 -1.084 389 2HB LEU 52 2HB LEU 52 1.724 2.674 0.261 390 HG LEU 52 HG LEU 52 2.835 0.068 1.003 391 1HD1 LEU 52 1HD1 LEU 52 4.322 1.668 -0.822 392 2HD1 LEU 52 2HD1 LEU 52 4.818 0.194 0.000 393 3HD1 LEU 52 3HD1 LEU 52 5.098 1.762 0.754 394 1HD2 LEU 52 1HD2 LEU 52 2.154 2.408 2.263 395 2HD2 LEU 52 2HD2 LEU 52 3.915 2.510 2.179 396 3HD2 LEU 52 3HD2 LEU 52 3.154 1.125 2.951 397 H SER 53 H SER 53 -1.330 2.166 0.740 398 HA SER 53 HA SER 53 -2.098 3.201 -1.899 399 1HB SER 53 1HB SER 53 -3.618 1.440 -0.123 400 2HB SER 53 2HB SER 53 -4.527 2.841 -0.687 401 HG SER 53 HG SER 53 -4.673 1.028 -2.105 402 H ASP 54 H ASP 54 -2.763 5.251 -2.021 403 HA ASP 54 HA ASP 54 -2.406 7.055 0.110 404 1HB ASP 54 1HB ASP 54 -2.206 7.449 -2.433 405 2HB ASP 54 2HB ASP 54 -3.950 7.666 -2.394 406 H ILE 55 H ILE 55 -4.213 8.750 0.505 407 HA ILE 55 HA ILE 55 -6.856 7.615 0.650 408 HB ILE 55 HB ILE 55 -5.989 6.680 2.634 409 1HG1 ILE 55 1HG1 ILE 55 -7.291 9.219 3.598 410 2HG1 ILE 55 2HG1 ILE 55 -8.181 7.932 2.808 411 1HG2 ILE 55 1HG2 ILE 55 -4.969 8.269 4.378 412 2HG2 ILE 55 2HG2 ILE 55 -4.683 9.337 3.009 413 3HG2 ILE 55 3HG2 ILE 55 -3.971 7.722 3.035 414 1HD1 ILE 55 1HD1 ILE 55 -8.270 7.905 5.297 415 2HD1 ILE 55 2HD1 ILE 55 -6.551 7.525 5.286 416 3HD1 ILE 55 3HD1 ILE 55 -7.703 6.407 4.559 417 H ARG 56 H ARG 56 -7.130 9.452 -0.818 418 HA ARG 56 HA ARG 56 -8.385 11.620 0.364 419 1HB ARG 56 1HB ARG 56 -5.788 12.030 0.824 420 2HB ARG 56 2HB ARG 56 -5.864 12.703 -0.797 421 1HG ARG 56 1HG ARG 56 -7.492 14.315 -0.132 422 2HG ARG 56 2HG ARG 56 -7.687 13.544 1.442 423 1HD ARG 56 1HD ARG 56 -4.948 14.115 1.172 424 2HD ARG 56 2HD ARG 56 -5.814 15.548 0.617 425 HE ARG 56 HE ARG 56 -6.640 14.387 3.158 426 1HH1 ARG 56 1HH1 ARG 56 -4.888 16.897 1.474 427 2HH1 ARG 56 2HH1 ARG 56 -4.833 17.948 2.847 428 1HH2 ARG 56 1HH2 ARG 56 -6.579 15.772 4.954 429 2HH2 ARG 56 2HH2 ARG 56 -5.791 17.309 4.825 430 H MET 57 H MET 57 -9.506 10.398 -1.523 431 HA MET 57 HA MET 57 -9.505 12.202 -3.762 432 1HB MET 57 1HB MET 57 -7.841 9.981 -4.004 433 2HB MET 57 2HB MET 57 -9.295 9.528 -4.882 434 1HG MET 57 1HG MET 57 -9.102 11.324 -6.369 435 2HG MET 57 2HG MET 57 -7.917 12.142 -5.353 436 1HE MET 57 1HE MET 57 -5.106 11.831 -6.092 437 2HE MET 57 2HE MET 57 -6.398 12.696 -6.925 438 3HE MET 57 3HE MET 57 -5.304 11.653 -7.836 439 HA PRO 58 HA PRO 58 -13.190 9.199 -4.441 440 1HB PRO 58 1HB PRO 58 -13.350 6.921 -2.989 441 2HB PRO 58 2HB PRO 58 -12.459 7.021 -4.512 442 1HG PRO 58 1HG PRO 58 -11.427 7.203 -1.703 443 2HG PRO 58 2HG PRO 58 -10.800 6.256 -3.066 444 1HD PRO 58 1HD PRO 58 -9.701 8.607 -2.367 445 2HD PRO 58 2HD PRO 58 -9.812 8.094 -4.058 446 H GLY 59 H GLY 59 -14.920 7.907 -2.780 447 1HA GLY 59 1HA GLY 59 -15.946 9.984 -1.198 448 2HA GLY 59 2HA GLY 59 -16.494 8.316 -1.174 449 H MET 60 H MET 60 -14.687 6.827 -0.045 450 HA MET 60 HA MET 60 -14.484 7.885 2.647 451 1HB MET 60 1HB MET 60 -13.770 5.177 1.533 452 2HB MET 60 2HB MET 60 -13.678 5.609 3.230 453 1HG MET 60 1HG MET 60 -15.840 5.260 3.533 454 2HG MET 60 2HG MET 60 -16.267 6.230 2.122 455 1HE MET 60 1HE MET 60 -15.086 1.858 2.226 456 2HE MET 60 2HE MET 60 -16.428 2.284 3.287 457 3HE MET 60 3HE MET 60 -14.874 3.101 3.458 458 H ASP 61 H ASP 61 -12.857 9.330 1.026 459 HA ASP 61 HA ASP 61 -10.744 10.102 0.717 460 1HB ASP 61 1HB ASP 61 -10.947 9.153 3.484 461 2HB ASP 61 2HB ASP 61 -9.298 9.327 2.901 462 H GLY 62 H GLY 62 -9.889 7.124 2.458 463 1HA GLY 62 1HA GLY 62 -8.528 6.146 0.043 464 2HA GLY 62 2HA GLY 62 -7.633 6.287 1.540 465 H LEU 63 H LEU 63 -9.840 5.486 3.219 466 HA LEU 63 HA LEU 63 -9.340 2.759 3.353 467 1HB LEU 63 1HB LEU 63 -11.917 3.804 4.419 468 2HB LEU 63 2HB LEU 63 -10.785 2.673 5.142 469 HG LEU 63 HG LEU 63 -9.258 4.876 5.184 470 1HD1 LEU 63 1HD1 LEU 63 -11.653 5.910 4.312 471 2HD1 LEU 63 2HD1 LEU 63 -10.321 6.818 5.023 472 3HD1 LEU 63 3HD1 LEU 63 -11.654 6.264 6.037 473 1HD2 LEU 63 1HD2 LEU 63 -10.889 5.139 7.463 474 2HD2 LEU 63 2HD2 LEU 63 -9.345 4.302 7.318 475 3HD2 LEU 63 3HD2 LEU 63 -10.854 3.423 7.056 476 H ALA 64 H ALA 64 -11.532 4.523 1.364 477 HA ALA 64 HA ALA 64 -13.429 2.518 0.762 478 1HB ALA 64 1HB ALA 64 -12.741 5.139 -0.187 479 2HB ALA 64 2HB ALA 64 -14.273 4.281 -0.317 480 3HB ALA 64 3HB ALA 64 -13.035 4.067 -1.554 481 H LEU 65 H LEU 65 -10.284 3.342 -0.560 482 HA LEU 65 HA LEU 65 -10.261 1.683 -2.804 483 1HB LEU 65 1HB LEU 65 -8.027 2.659 -1.035 484 2HB LEU 65 2HB LEU 65 -7.749 1.745 -2.500 485 HG LEU 65 HG LEU 65 -7.426 3.934 -3.189 486 1HD1 LEU 65 1HD1 LEU 65 -10.343 3.923 -3.751 487 2HD1 LEU 65 2HD1 LEU 65 -9.349 2.618 -4.393 488 3HD1 LEU 65 3HD1 LEU 65 -8.987 4.290 -4.817 489 1HD2 LEU 65 1HD2 LEU 65 -8.996 4.559 -0.944 490 2HD2 LEU 65 2HD2 LEU 65 -9.725 5.352 -2.326 491 3HD2 LEU 65 3HD2 LEU 65 -8.038 5.642 -1.937 492 H LEU 66 H LEU 66 -9.499 1.085 0.548 493 HA LEU 66 HA LEU 66 -8.336 -1.449 0.301 494 1HB LEU 66 1HB LEU 66 -9.937 -0.200 2.531 495 2HB LEU 66 2HB LEU 66 -9.150 -1.759 2.674 496 HG LEU 66 HG LEU 66 -7.823 0.016 3.715 497 1HD1 LEU 66 1HD1 LEU 66 -6.175 -1.373 3.204 498 2HD1 LEU 66 2HD1 LEU 66 -5.850 -0.359 1.800 499 3HD1 LEU 66 3HD1 LEU 66 -6.897 -1.770 1.646 500 1HD2 LEU 66 1HD2 LEU 66 -7.339 1.180 0.991 501 2HD2 LEU 66 2HD2 LEU 66 -6.924 1.844 2.569 502 3HD2 LEU 66 3HD2 LEU 66 -8.605 1.790 2.053 503 H LYS 67 H LYS 67 -11.702 -0.428 0.658 504 HA LYS 67 HA LYS 67 -12.890 -2.935 0.903 505 1HB LYS 67 1HB LYS 67 -14.068 -0.779 1.211 506 2HB LYS 67 2HB LYS 67 -14.015 -0.523 -0.528 507 1HG LYS 67 1HG LYS 67 -15.855 -1.718 -0.810 508 2HG LYS 67 2HG LYS 67 -15.138 -3.094 0.029 509 1HD LYS 67 1HD LYS 67 -16.374 -2.721 1.845 510 2HD LYS 67 2HD LYS 67 -15.891 -1.025 1.895 511 1HE LYS 67 1HE LYS 67 -17.588 -0.679 0.013 512 2HE LYS 67 2HE LYS 67 -18.196 -2.278 0.440 513 1HZ LYS 67 1HZ LYS 67 -19.465 -0.666 1.610 514 2HZ LYS 67 2HZ LYS 67 -18.081 0.115 2.185 515 3HZ LYS 67 3HZ LYS 67 -18.469 -1.433 2.742 516 H GLN 68 H GLN 68 -12.048 -1.104 -2.023 517 HA GLN 68 HA GLN 68 -13.114 -2.914 -3.898 518 1HB GLN 68 1HB GLN 68 -10.803 -0.988 -4.151 519 2HB GLN 68 2HB GLN 68 -11.544 -1.841 -5.494 520 1HG GLN 68 1HG GLN 68 -13.108 -0.306 -5.686 521 2HG GLN 68 2HG GLN 68 -13.552 -0.474 -3.987 522 1HE2 GLN 68 1HE2 GLN 68 -13.883 1.689 -3.621 523 2HE2 GLN 68 2HE2 GLN 68 -12.612 2.858 -3.638 524 H ILE 69 H ILE 69 -9.971 -2.668 -2.367 525 HA ILE 69 HA ILE 69 -8.551 -4.501 -3.874 526 HB ILE 69 HB ILE 69 -8.275 -3.741 -0.973 527 1HG1 ILE 69 1HG1 ILE 69 -6.495 -2.919 -3.251 528 2HG1 ILE 69 2HG1 ILE 69 -7.991 -2.046 -2.916 529 1HG2 ILE 69 1HG2 ILE 69 -7.117 -5.972 -2.077 530 2HG2 ILE 69 2HG2 ILE 69 -6.505 -5.077 -0.691 531 3HG2 ILE 69 3HG2 ILE 69 -5.875 -4.743 -2.300 532 1HD1 ILE 69 1HD1 ILE 69 -6.564 -2.358 -0.478 533 2HD1 ILE 69 2HD1 ILE 69 -6.958 -0.878 -1.349 534 3HD1 ILE 69 3HD1 ILE 69 -5.458 -1.736 -1.703 535 H LYS 70 H LYS 70 -10.313 -5.057 -0.879 536 HA LYS 70 HA LYS 70 -9.834 -7.831 -0.748 537 1HB LYS 70 1HB LYS 70 -11.622 -7.891 0.912 538 2HB LYS 70 2HB LYS 70 -10.561 -6.521 1.188 539 1HG LYS 70 1HG LYS 70 -12.271 -5.123 1.082 540 2HG LYS 70 2HG LYS 70 -12.688 -5.716 -0.524 541 1HD LYS 70 1HD LYS 70 -13.446 -7.421 1.771 542 2HD LYS 70 2HD LYS 70 -14.336 -5.911 1.573 543 1HE LYS 70 1HE LYS 70 -14.037 -7.282 -0.951 544 2HE LYS 70 2HE LYS 70 -14.792 -8.327 0.252 545 1HZ LYS 70 1HZ LYS 70 -16.642 -7.074 0.305 546 2HZ LYS 70 2HZ LYS 70 -16.134 -6.565 -1.226 547 3HZ LYS 70 3HZ LYS 70 -15.808 -5.611 0.132 548 H GLN 71 H GLN 71 -12.065 -5.959 -2.571 549 HA GLN 71 HA GLN 71 -14.070 -7.868 -3.007 550 1HB GLN 71 1HB GLN 71 -13.542 -5.234 -3.814 551 2HB GLN 71 2HB GLN 71 -13.751 -6.163 -5.292 552 1HG GLN 71 1HG GLN 71 -15.946 -6.358 -4.986 553 2HG GLN 71 2HG GLN 71 -15.760 -6.774 -3.286 554 1HE2 GLN 71 1HE2 GLN 71 -14.614 -4.607 -2.211 555 2HE2 GLN 71 2HE2 GLN 71 -15.642 -3.227 -2.365 556 H ARG 72 H ARG 72 -11.277 -7.029 -4.983 557 HA ARG 72 HA ARG 72 -11.780 -9.372 -6.655 558 1HB ARG 72 1HB ARG 72 -10.007 -6.969 -7.033 559 2HB ARG 72 2HB ARG 72 -9.967 -8.364 -8.105 560 1HG ARG 72 1HG ARG 72 -12.120 -7.970 -8.900 561 2HG ARG 72 2HG ARG 72 -12.525 -6.917 -7.543 562 1HD ARG 72 1HD ARG 72 -11.326 -5.135 -8.402 563 2HD ARG 72 2HD ARG 72 -10.324 -6.167 -9.422 564 HE ARG 72 HE ARG 72 -12.639 -6.544 -10.593 565 1HH1 ARG 72 1HH1 ARG 72 -11.330 -3.556 -9.347 566 2HH1 ARG 72 2HH1 ARG 72 -12.187 -2.564 -10.477 567 1HH2 ARG 72 1HH2 ARG 72 -13.765 -5.233 -12.086 568 2HH2 ARG 72 2HH2 ARG 72 -13.563 -3.514 -12.033 569 H HIS 73 H HIS 73 -9.642 -8.299 -4.181 570 HA HIS 73 HA HIS 73 -7.882 -10.595 -4.752 571 1HB HIS 73 1HB HIS 73 -6.979 -8.343 -3.002 572 2HB HIS 73 2HB HIS 73 -6.026 -9.406 -4.040 573 HD1 HIS 73 HD1 HIS 73 -6.721 -8.986 -6.753 574 HD2 HIS 73 HD2 HIS 73 -7.198 -5.870 -4.048 575 HE1 HIS 73 HE1 HIS 73 -6.852 -6.895 -8.148 576 HE2 HIS 73 HE2 HIS 73 -7.210 -5.030 -6.494 577 HA PRO 74 HA PRO 74 -9.167 -12.564 -1.043 578 1HB PRO 74 1HB PRO 74 -6.746 -13.619 -0.215 579 2HB PRO 74 2HB PRO 74 -7.818 -14.356 -1.409 580 1HG PRO 74 1HG PRO 74 -5.374 -12.689 -1.825 581 2HG PRO 74 2HG PRO 74 -5.930 -14.115 -2.722 582 1HD PRO 74 1HD PRO 74 -6.226 -11.631 -3.700 583 2HD PRO 74 2HD PRO 74 -7.449 -12.890 -3.973 584 H MET 75 H MET 75 -5.834 -11.686 -0.179 585 HA MET 75 HA MET 75 -6.776 -9.663 1.680 586 1HB MET 75 1HB MET 75 -5.519 -12.259 2.531 587 2HB MET 75 2HB MET 75 -5.414 -10.816 3.533 588 1HG MET 75 1HG MET 75 -7.967 -10.733 3.333 589 2HG MET 75 2HG MET 75 -7.839 -12.394 2.761 590 1HE MET 75 1HE MET 75 -5.384 -11.157 6.038 591 2HE MET 75 2HE MET 75 -6.888 -10.587 6.764 592 3HE MET 75 3HE MET 75 -6.400 -10.001 5.174 593 H LEU 76 H LEU 76 -5.414 -8.910 -0.367 594 HA LEU 76 HA LEU 76 -2.593 -9.093 -0.267 595 1HB LEU 76 1HB LEU 76 -4.127 -8.353 -2.201 596 2HB LEU 76 2HB LEU 76 -4.126 -6.781 -1.429 597 HG LEU 76 HG LEU 76 -1.749 -8.230 -2.575 598 1HD1 LEU 76 1HD1 LEU 76 -3.513 -5.994 -3.404 599 2HD1 LEU 76 2HD1 LEU 76 -2.793 -7.281 -4.368 600 3HD1 LEU 76 3HD1 LEU 76 -1.805 -5.920 -3.840 601 1HD2 LEU 76 1HD2 LEU 76 -1.942 -5.808 -0.827 602 2HD2 LEU 76 2HD2 LEU 76 -0.671 -5.926 -2.044 603 3HD2 LEU 76 3HD2 LEU 76 -0.789 -7.140 -0.774 604 HA PRO 77 HA PRO 77 -2.082 -6.431 3.327 605 1HB PRO 77 1HB PRO 77 0.734 -6.404 2.389 606 2HB PRO 77 2HB PRO 77 0.081 -6.804 3.983 607 1HG PRO 77 1HG PRO 77 0.992 -8.717 2.365 608 2HG PRO 77 2HG PRO 77 -0.449 -8.977 3.367 609 1HD PRO 77 1HD PRO 77 -0.257 -8.378 0.443 610 2HD PRO 77 2HD PRO 77 -1.353 -9.482 1.296 611 H VAL 78 H VAL 78 -2.767 -4.440 3.069 612 HA VAL 78 HA VAL 78 -1.534 -2.666 1.081 613 HB VAL 78 HB VAL 78 -4.137 -2.103 2.471 614 1HG1 VAL 78 1HG1 VAL 78 -4.368 -1.034 0.033 615 2HG1 VAL 78 2HG1 VAL 78 -2.612 -0.995 0.201 616 3HG1 VAL 78 3HG1 VAL 78 -3.632 -0.188 1.393 617 1HG2 VAL 78 1HG2 VAL 78 -5.329 -3.537 1.245 618 2HG2 VAL 78 2HG2 VAL 78 -3.802 -4.337 0.889 619 3HG2 VAL 78 3HG2 VAL 78 -4.445 -3.140 -0.227 620 H ILE 79 H ILE 79 -0.994 -0.562 1.715 621 HA ILE 79 HA ILE 79 -1.057 0.013 4.591 622 HB ILE 79 HB ILE 79 1.374 0.467 2.885 623 1HG1 ILE 79 1HG1 ILE 79 1.725 -1.452 5.028 624 2HG1 ILE 79 2HG1 ILE 79 0.522 -1.997 3.862 625 1HG2 ILE 79 1HG2 ILE 79 2.368 1.411 4.678 626 2HG2 ILE 79 2HG2 ILE 79 1.507 0.391 5.828 627 3HG2 ILE 79 3HG2 ILE 79 0.699 1.780 5.105 628 1HD1 ILE 79 1HD1 ILE 79 2.288 -1.337 2.101 629 2HD1 ILE 79 2HD1 ILE 79 2.485 -2.840 3.003 630 3HD1 ILE 79 3HD1 ILE 79 3.413 -1.409 3.455 631 H ILE 80 H ILE 80 -2.132 1.887 4.781 632 HA ILE 80 HA ILE 80 -2.097 3.742 2.547 633 HB ILE 80 HB ILE 80 -3.739 4.031 5.061 634 1HG1 ILE 80 1HG1 ILE 80 -4.132 1.811 4.041 635 2HG1 ILE 80 2HG1 ILE 80 -5.544 2.854 3.931 636 1HG2 ILE 80 1HG2 ILE 80 -3.413 5.895 3.251 637 2HG2 ILE 80 2HG2 ILE 80 -4.996 5.587 3.951 638 3HG2 ILE 80 3HG2 ILE 80 -4.597 4.943 2.360 639 1HD1 ILE 80 1HD1 ILE 80 -5.111 3.290 1.613 640 2HD1 ILE 80 2HD1 ILE 80 -5.104 1.547 1.880 641 3HD1 ILE 80 3HD1 ILE 80 -3.583 2.417 1.697 642 H MET 81 H MET 81 -1.664 5.948 2.741 643 HA MET 81 HA MET 81 0.571 6.507 4.449 644 1HB MET 81 1HB MET 81 -0.129 8.905 3.212 645 2HB MET 81 2HB MET 81 1.119 7.779 2.711 646 1HG MET 81 1HG MET 81 -1.735 7.505 1.830 647 2HG MET 81 2HG MET 81 -0.580 8.519 0.974 648 1HE MET 81 1HE MET 81 1.719 7.472 -0.179 649 2HE MET 81 2HE MET 81 2.149 5.777 0.012 650 3HE MET 81 3HE MET 81 2.081 6.835 1.414 651 H THR 82 H THR 82 -2.809 7.287 4.492 652 HA THR 82 HA THR 82 -2.437 8.624 7.059 653 HB THR 82 HB THR 82 -4.272 9.870 5.029 654 HG1 THR 82 HG1 THR 82 -2.466 10.309 3.998 655 1HG2 THR 82 1HG2 THR 82 -3.394 10.499 7.730 656 2HG2 THR 82 2HG2 THR 82 -4.792 11.080 6.830 657 3HG2 THR 82 3HG2 THR 82 -3.220 11.842 6.605 658 H ALA 83 H ALA 83 -4.718 8.990 8.094 659 HA ALA 83 HA ALA 83 -6.449 6.739 7.311 660 1HB ALA 83 1HB ALA 83 -6.369 7.371 10.181 661 2HB ALA 83 2HB ALA 83 -4.898 6.667 9.512 662 3HB ALA 83 3HB ALA 83 -6.434 5.814 9.356 663 H HIS 84 H HIS 84 -7.008 9.265 6.409 664 HA HIS 84 HA HIS 84 -8.757 10.714 8.113 665 1HB HIS 84 1HB HIS 84 -8.564 10.676 5.096 666 2HB HIS 84 2HB HIS 84 -9.454 11.866 6.039 667 HD1 HIS 84 HD1 HIS 84 -7.394 12.544 8.186 668 HD2 HIS 84 HD2 HIS 84 -6.482 12.115 4.156 669 HE1 HIS 84 HE1 HIS 84 -5.268 13.826 7.833 670 HE2 HIS 84 HE2 HIS 84 -4.749 13.587 5.382 671 H SER 85 H SER 85 -11.052 11.193 6.900 672 HA SER 85 HA SER 85 -13.206 10.469 6.797 673 1HB SER 85 1HB SER 85 -12.465 9.872 4.554 674 2HB SER 85 2HB SER 85 -11.885 8.311 5.138 675 HG SER 85 HG SER 85 -14.542 9.236 4.908 676 H ASP 86 H ASP 86 -14.374 7.973 6.634 677 HA ASP 86 HA ASP 86 -14.543 7.209 9.312 678 1HB ASP 86 1HB ASP 86 -15.898 5.322 8.507 679 2HB ASP 86 2HB ASP 86 -16.345 6.821 7.699 680 H LEU 87 H LEU 87 -12.764 6.520 10.353 681 HA LEU 87 HA LEU 87 -10.665 4.969 9.383 682 1HB LEU 87 1HB LEU 87 -11.250 6.222 11.722 683 2HB LEU 87 2HB LEU 87 -11.437 4.549 12.200 684 HG LEU 87 HG LEU 87 -9.190 5.530 12.658 685 1HD1 LEU 87 1HD1 LEU 87 -9.366 3.154 10.832 686 2HD1 LEU 87 2HD1 LEU 87 -9.452 3.159 12.591 687 3HD1 LEU 87 3HD1 LEU 87 -7.944 3.578 11.779 688 1HD2 LEU 87 1HD2 LEU 87 -7.684 6.064 10.957 689 2HD2 LEU 87 2HD2 LEU 87 -9.197 6.810 10.442 690 3HD2 LEU 87 3HD2 LEU 87 -8.669 5.293 9.714 691 H ASP 88 H ASP 88 -13.855 4.065 10.283 692 HA ASP 88 HA ASP 88 -13.680 1.485 11.147 693 1HB ASP 88 1HB ASP 88 -15.686 2.922 9.466 694 2HB ASP 88 2HB ASP 88 -15.859 1.186 9.704 695 H ALA 89 H ALA 89 -13.622 2.538 7.738 696 HA ALA 89 HA ALA 89 -13.480 -0.086 6.708 697 1HB ALA 89 1HB ALA 89 -14.259 1.770 5.351 698 2HB ALA 89 2HB ALA 89 -12.891 0.960 4.582 699 3HB ALA 89 3HB ALA 89 -12.659 2.496 5.415 700 H ALA 90 H ALA 90 -11.115 1.912 8.181 701 HA ALA 90 HA ALA 90 -8.791 0.917 6.894 702 1HB ALA 90 1HB ALA 90 -8.967 2.949 8.460 703 2HB ALA 90 2HB ALA 90 -7.527 1.934 8.586 704 3HB ALA 90 3HB ALA 90 -8.825 1.778 9.769 705 H VAL 91 H VAL 91 -10.306 0.057 9.998 706 HA VAL 91 HA VAL 91 -8.612 -2.107 10.559 707 HB VAL 91 HB VAL 91 -11.462 -2.006 11.491 708 1HG1 VAL 91 1HG1 VAL 91 -10.664 -3.866 12.471 709 2HG1 VAL 91 2HG1 VAL 91 -9.919 -2.735 13.599 710 3HG1 VAL 91 3HG1 VAL 91 -8.980 -3.385 12.251 711 1HG2 VAL 91 1HG2 VAL 91 -9.886 -0.746 13.427 712 2HG2 VAL 91 2HG2 VAL 91 -11.116 -0.002 12.405 713 3HG2 VAL 91 3HG2 VAL 91 -9.427 0.004 11.897 714 H SER 92 H SER 92 -11.677 -1.905 8.828 715 HA SER 92 HA SER 92 -12.056 -4.679 8.495 716 1HB SER 92 1HB SER 92 -13.657 -4.127 6.776 717 2HB SER 92 2HB SER 92 -13.826 -2.947 8.080 718 HG SER 92 HG SER 92 -13.764 -2.070 5.889 719 H ALA 93 H ALA 93 -9.785 -2.537 7.202 720 HA ALA 93 HA ALA 93 -9.335 -3.840 4.720 721 1HB ALA 93 1HB ALA 93 -7.798 -2.225 4.299 722 2HB ALA 93 2HB ALA 93 -7.205 -2.214 5.961 723 3HB ALA 93 3HB ALA 93 -8.724 -1.410 5.560 724 H TYR 94 H TYR 94 -7.433 -3.620 7.684 725 HA TYR 94 HA TYR 94 -5.445 -5.417 7.034 726 1HB TYR 94 1HB TYR 94 -6.475 -5.408 9.843 727 2HB TYR 94 2HB TYR 94 -4.815 -5.446 9.269 728 HD1 TYR 94 HD1 TYR 94 -4.276 -3.194 7.767 729 HD2 TYR 94 HD2 TYR 94 -7.050 -3.504 10.980 730 HE1 TYR 94 HE1 TYR 94 -4.097 -0.771 8.147 731 HE2 TYR 94 HE2 TYR 94 -6.876 -1.086 11.371 732 HH TYR 94 HH TYR 94 -6.258 0.975 9.908 733 H GLN 95 H GLN 95 -8.660 -6.035 8.188 734 HA GLN 95 HA GLN 95 -8.234 -8.827 8.681 735 1HB GLN 95 1HB GLN 95 -10.610 -8.957 9.072 736 2HB GLN 95 2HB GLN 95 -9.984 -7.497 9.829 737 1HG GLN 95 1HG GLN 95 -11.756 -6.548 8.845 738 2HG GLN 95 2HG GLN 95 -10.686 -6.514 7.449 739 1HE2 GLN 95 1HE2 GLN 95 -13.156 -6.367 6.745 740 2HE2 GLN 95 2HE2 GLN 95 -13.793 -7.873 6.183 741 H GLN 96 H GLN 96 -9.349 -6.910 5.969 742 HA GLN 96 HA GLN 96 -9.905 -9.318 4.438 743 1HB GLN 96 1HB GLN 96 -10.921 -7.868 2.784 744 2HB GLN 96 2HB GLN 96 -11.593 -7.522 4.373 745 1HG GLN 96 1HG GLN 96 -9.783 -5.667 4.451 746 2HG GLN 96 2HG GLN 96 -9.735 -5.877 2.706 747 1HE2 GLN 96 1HE2 GLN 96 -10.453 -3.618 2.708 748 2HE2 GLN 96 2HE2 GLN 96 -12.142 -3.282 2.853 749 H GLY 97 H GLY 97 -7.248 -7.589 5.122 750 1HA GLY 97 1HA GLY 97 -5.283 -8.387 3.783 751 2HA GLY 97 2HA GLY 97 -6.183 -7.829 2.383 752 H ALA 98 H ALA 98 -4.562 -6.775 5.334 753 HA ALA 98 HA ALA 98 -3.473 -4.515 4.047 754 1HB ALA 98 1HB ALA 98 -4.791 -2.807 4.607 755 2HB ALA 98 2HB ALA 98 -5.130 -3.470 6.203 756 3HB ALA 98 3HB ALA 98 -6.021 -4.052 4.802 757 H PHE 99 H PHE 99 -1.653 -3.889 5.016 758 HA PHE 99 HA PHE 99 -0.775 -5.304 7.325 759 1HB PHE 99 1HB PHE 99 0.748 -4.717 5.469 760 2HB PHE 99 2HB PHE 99 0.560 -3.014 5.871 761 HD1 PHE 99 HD1 PHE 99 1.617 -6.251 7.361 762 HD2 PHE 99 HD2 PHE 99 2.062 -2.016 7.337 763 HE1 PHE 99 HE1 PHE 99 3.487 -6.447 8.944 764 HE2 PHE 99 HE2 PHE 99 3.937 -2.203 8.926 765 HZ PHE 99 HZ PHE 99 4.654 -4.424 9.732 766 H ASP 100 H ASP 100 -1.284 -1.823 6.676 767 HA ASP 100 HA ASP 100 -2.461 -1.296 9.165 768 1HB ASP 100 1HB ASP 100 0.284 -1.703 9.422 769 2HB ASP 100 2HB ASP 100 0.101 0.049 9.431 770 H TYR 101 H TYR 101 -1.654 1.251 9.725 771 HA TYR 101 HA TYR 101 -2.133 2.699 7.211 772 1HB TYR 101 1HB TYR 101 -3.673 2.677 9.709 773 2HB TYR 101 2HB TYR 101 -3.289 4.294 9.128 774 HD1 TYR 101 HD1 TYR 101 -4.752 1.048 7.999 775 HD2 TYR 101 HD2 TYR 101 -4.622 5.273 7.492 776 HE1 TYR 101 HE1 TYR 101 -6.619 0.911 6.404 777 HE2 TYR 101 HE2 TYR 101 -6.497 5.143 5.905 778 HH TYR 101 HH TYR 101 -7.397 2.995 4.276 779 H LEU 102 H LEU 102 -1.050 4.560 6.898 780 HA LEU 102 HA LEU 102 1.078 5.251 8.807 781 1HB LEU 102 1HB LEU 102 1.150 4.771 6.103 782 2HB LEU 102 2HB LEU 102 0.995 6.511 6.135 783 HG LEU 102 HG LEU 102 3.086 6.762 7.255 784 1HD1 LEU 102 1HD1 LEU 102 4.428 4.555 7.620 785 2HD1 LEU 102 2HD1 LEU 102 2.816 3.845 7.778 786 3HD1 LEU 102 3HD1 LEU 102 3.318 5.146 8.861 787 1HD2 LEU 102 1HD2 LEU 102 3.984 6.557 5.232 788 2HD2 LEU 102 2HD2 LEU 102 2.845 5.290 4.788 789 3HD2 LEU 102 3HD2 LEU 102 4.345 4.879 5.619 790 HA PRO 103 HA PRO 103 -1.112 8.996 9.814 791 1HB PRO 103 1HB PRO 103 1.443 10.441 10.013 792 2HB PRO 103 2HB PRO 103 0.280 10.050 11.282 793 1HG PRO 103 1HG PRO 103 2.677 8.834 11.139 794 2HG PRO 103 2HG PRO 103 1.228 7.980 11.698 795 1HD PRO 103 1HD PRO 103 2.559 7.901 9.013 796 2HD PRO 103 2HD PRO 103 1.898 6.565 9.981 797 H LYS 104 H LYS 104 1.646 9.419 7.676 798 HA LYS 104 HA LYS 104 0.378 10.374 5.462 799 1HB LYS 104 1HB LYS 104 0.011 12.353 7.247 800 2HB LYS 104 2HB LYS 104 1.583 12.827 6.612 801 1HG LYS 104 1HG LYS 104 -0.982 12.462 5.080 802 2HG LYS 104 2HG LYS 104 -0.085 13.957 5.341 803 1HD LYS 104 1HD LYS 104 0.695 13.515 3.260 804 2HD LYS 104 2HD LYS 104 1.822 12.478 4.135 805 1HE LYS 104 1HE LYS 104 0.669 10.539 3.573 806 2HE LYS 104 2HE LYS 104 -0.827 11.404 3.237 807 1HZ LYS 104 1HZ LYS 104 1.615 11.630 1.559 808 2HZ LYS 104 2HZ LYS 104 0.072 12.215 1.199 809 3HZ LYS 104 3HZ LYS 104 0.354 10.545 1.226 810 HA PRO 105 HA PRO 105 5.227 11.565 5.594 811 1HB PRO 105 1HB PRO 105 5.737 9.579 7.773 812 2HB PRO 105 2HB PRO 105 6.606 11.071 7.393 813 1HG PRO 105 1HG PRO 105 4.918 10.979 9.445 814 2HG PRO 105 2HG PRO 105 5.008 12.416 8.409 815 1HD PRO 105 1HD PRO 105 2.933 10.289 8.530 816 2HD PRO 105 2HD PRO 105 2.756 12.015 8.163 817 H PHE 106 H PHE 106 6.858 10.011 4.654 818 HA PHE 106 HA PHE 106 6.109 7.261 4.377 819 1HB PHE 106 1HB PHE 106 4.525 8.754 2.901 820 2HB PHE 106 2HB PHE 106 5.888 8.802 1.805 821 HD1 PHE 106 HD1 PHE 106 3.445 6.607 3.443 822 HD2 PHE 106 HD2 PHE 106 6.451 6.948 0.458 823 HE1 PHE 106 HE1 PHE 106 2.730 4.447 2.493 824 HE2 PHE 106 HE2 PHE 106 5.748 4.802 -0.502 825 HZ PHE 106 HZ PHE 106 3.883 3.544 0.509 826 H ASP 107 H ASP 107 7.453 8.886 1.572 827 HA ASP 107 HA ASP 107 9.458 8.551 0.548 828 1HB ASP 107 1HB ASP 107 11.315 9.553 1.707 829 2HB ASP 107 2HB ASP 107 9.861 10.458 2.115 830 H ILE 108 H ILE 108 11.894 7.640 1.258 831 HA ILE 108 HA ILE 108 11.469 4.861 1.386 832 HB ILE 108 HB ILE 108 13.782 6.616 1.104 833 1HG1 ILE 108 1HG1 ILE 108 14.282 5.232 -0.746 834 2HG1 ILE 108 2HG1 ILE 108 13.291 3.921 -0.117 835 1HG2 ILE 108 1HG2 ILE 108 15.420 4.800 1.490 836 2HG2 ILE 108 2HG2 ILE 108 14.132 3.841 2.206 837 3HG2 ILE 108 3HG2 ILE 108 14.630 5.350 2.966 838 1HD1 ILE 108 1HD1 ILE 108 12.063 6.545 -0.814 839 2HD1 ILE 108 2HD1 ILE 108 11.324 4.956 -0.714 840 3HD1 ILE 108 3HD1 ILE 108 12.394 5.342 -2.050 841 H ASP 109 H ASP 109 12.938 7.079 3.673 842 HA ASP 109 HA ASP 109 13.652 5.302 5.631 843 1HB ASP 109 1HB ASP 109 12.612 8.120 5.930 844 2HB ASP 109 2HB ASP 109 13.304 7.193 7.257 845 H GLU 110 H GLU 110 10.501 6.996 5.482 846 HA GLU 110 HA GLU 110 9.477 5.429 7.623 847 1HB GLU 110 1HB GLU 110 7.961 7.288 5.802 848 2HB GLU 110 2HB GLU 110 7.448 6.707 7.377 849 1HG GLU 110 1HG GLU 110 10.029 8.101 7.346 850 2HG GLU 110 2HG GLU 110 8.630 9.088 6.925 851 H ALA 111 H ALA 111 9.256 5.235 4.129 852 HA ALA 111 HA ALA 111 7.091 3.339 4.292 853 1HB ALA 111 1HB ALA 111 8.701 4.239 1.910 854 2HB ALA 111 2HB ALA 111 7.117 4.843 2.409 855 3HB ALA 111 3HB ALA 111 7.293 3.180 1.847 856 H VAL 112 H VAL 112 10.510 3.234 3.269 857 HA VAL 112 HA VAL 112 10.601 0.472 2.851 858 HB VAL 112 HB VAL 112 12.889 2.194 3.773 859 1HG1 VAL 112 1HG1 VAL 112 12.736 -0.551 3.458 860 2HG1 VAL 112 2HG1 VAL 112 14.213 0.413 3.484 861 3HG1 VAL 112 3HG1 VAL 112 13.454 0.005 1.945 862 1HG2 VAL 112 1HG2 VAL 112 11.446 2.013 1.225 863 2HG2 VAL 112 2HG2 VAL 112 13.199 1.873 1.089 864 3HG2 VAL 112 3HG2 VAL 112 12.484 3.288 1.856 865 H ALA 113 H ALA 113 10.850 2.400 5.711 866 HA ALA 113 HA ALA 113 11.912 0.519 7.504 867 1HB ALA 113 1HB ALA 113 10.721 3.101 7.616 868 2HB ALA 113 2HB ALA 113 11.680 2.284 8.854 869 3HB ALA 113 3HB ALA 113 9.929 2.080 8.811 870 H LEU 114 H LEU 114 8.591 1.400 6.731 871 HA LEU 114 HA LEU 114 7.416 -0.682 8.262 872 1HB LEU 114 1HB LEU 114 6.396 1.538 7.787 873 2HB LEU 114 2HB LEU 114 6.157 1.027 6.126 874 HG LEU 114 HG LEU 114 4.877 -0.978 7.315 875 1HD1 LEU 114 1HD1 LEU 114 5.035 1.184 9.355 876 2HD1 LEU 114 2HD1 LEU 114 5.064 -0.568 9.559 877 3HD1 LEU 114 3HD1 LEU 114 3.544 0.255 9.205 878 1HD2 LEU 114 1HD2 LEU 114 2.821 0.660 7.286 879 2HD2 LEU 114 2HD2 LEU 114 3.625 0.183 5.792 880 3HD2 LEU 114 3HD2 LEU 114 3.979 1.747 6.522 881 H VAL 115 H VAL 115 8.609 -0.551 5.020 882 HA VAL 115 HA VAL 115 6.916 -2.654 4.052 883 HB VAL 115 HB VAL 115 7.957 -0.895 2.564 884 1HG1 VAL 115 1HG1 VAL 115 10.263 -1.211 3.528 885 2HG1 VAL 115 2HG1 VAL 115 10.167 -1.146 1.775 886 3HG1 VAL 115 3HG1 VAL 115 10.362 -2.697 2.593 887 1HG2 VAL 115 1HG2 VAL 115 8.739 -3.165 1.069 888 2HG2 VAL 115 2HG2 VAL 115 7.215 -2.282 1.008 889 3HG2 VAL 115 3HG2 VAL 115 7.398 -3.649 2.109 890 H GLU 116 H GLU 116 10.387 -2.495 4.873 891 HA GLU 116 HA GLU 116 10.814 -5.266 4.458 892 1HB GLU 116 1HB GLU 116 12.393 -3.156 5.919 893 2HB GLU 116 2HB GLU 116 12.937 -4.822 5.781 894 1HG GLU 116 1HG GLU 116 12.763 -4.558 3.277 895 2HG GLU 116 2HG GLU 116 12.505 -2.837 3.561 896 H ARG 117 H ARG 117 10.085 -3.310 7.307 897 HA ARG 117 HA ARG 117 10.344 -5.399 9.189 898 1HB ARG 117 1HB ARG 117 8.831 -2.791 9.270 899 2HB ARG 117 2HB ARG 117 8.911 -3.894 10.637 900 1HG ARG 117 1HG ARG 117 11.322 -2.692 9.305 901 2HG ARG 117 2HG ARG 117 10.533 -2.015 10.730 902 1HD ARG 117 1HD ARG 117 11.027 -3.984 12.011 903 2HD ARG 117 2HD ARG 117 11.631 -4.819 10.580 904 HE ARG 117 HE ARG 117 13.637 -3.779 10.878 905 1HH1 ARG 117 1HH1 ARG 117 11.207 -2.000 12.646 906 2HH1 ARG 117 2HH1 ARG 117 12.349 -0.927 13.381 907 1HH2 ARG 117 1HH2 ARG 117 15.139 -2.364 11.840 908 2HH2 ARG 117 2HH2 ARG 117 14.582 -1.133 12.923 909 H ALA 118 H ALA 118 7.844 -4.452 7.011 910 HA ALA 118 HA ALA 118 5.696 -5.803 8.285 911 1HB ALA 118 1HB ALA 118 5.014 -4.132 6.821 912 2HB ALA 118 2HB ALA 118 4.679 -5.615 5.926 913 3HB ALA 118 3HB ALA 118 6.116 -4.664 5.549 914 H ILE 119 H ILE 119 7.635 -6.595 5.392 915 HA ILE 119 HA ILE 119 6.552 -9.183 5.072 916 HB ILE 119 HB ILE 119 9.254 -8.233 4.126 917 1HG1 ILE 119 1HG1 ILE 119 6.934 -8.177 2.290 918 2HG1 ILE 119 2HG1 ILE 119 6.943 -6.948 3.551 919 1HG2 ILE 119 1HG2 ILE 119 8.753 -9.843 2.253 920 2HG2 ILE 119 2HG2 ILE 119 7.420 -10.446 3.240 921 3HG2 ILE 119 3HG2 ILE 119 9.081 -10.571 3.828 922 1HD1 ILE 119 1HD1 ILE 119 9.026 -6.090 2.799 923 2HD1 ILE 119 2HD1 ILE 119 7.963 -6.249 1.397 924 3HD1 ILE 119 3HD1 ILE 119 9.239 -7.438 1.678 925 H SER 120 H SER 120 9.195 -7.899 6.912 926 HA SER 120 HA SER 120 10.513 -10.334 7.473 927 1HB SER 120 1HB SER 120 11.536 -8.071 7.738 928 2HB SER 120 2HB SER 120 10.504 -7.814 9.145 929 HG SER 120 HG SER 120 11.503 -9.861 9.925 930 H HIS 121 H HIS 121 8.054 -8.469 9.216 931 HA HIS 121 HA HIS 121 7.945 -10.167 11.472 932 1HB HIS 121 1HB HIS 121 6.181 -8.032 10.341 933 2HB HIS 121 2HB HIS 121 5.559 -9.055 11.630 934 HD1 HIS 121 HD1 HIS 121 9.154 -8.014 11.585 935 HD2 HIS 121 HD2 HIS 121 5.613 -6.974 13.499 936 HE1 HIS 121 HE1 HIS 121 9.831 -6.496 13.472 937 HE2 HIS 121 HE2 HIS 121 7.681 -5.946 14.666 938 H TYR 122 H TYR 122 6.589 -10.374 8.312 939 HA TYR 122 HA TYR 122 4.435 -12.118 8.893 940 1HB TYR 122 1HB TYR 122 5.689 -10.992 6.519 941 2HB TYR 122 2HB TYR 122 5.165 -12.653 6.273 942 HD1 TYR 122 HD1 TYR 122 4.162 -9.472 5.680 943 HD2 TYR 122 HD2 TYR 122 2.719 -12.992 7.591 944 HE1 TYR 122 HE1 TYR 122 1.850 -8.705 5.334 945 HE2 TYR 122 HE2 TYR 122 0.406 -12.238 7.249 946 HH TYR 122 HH TYR 122 -0.543 -9.368 6.761 947 H GLN 123 H GLN 123 7.788 -12.630 7.937 948 HA GLN 123 HA GLN 123 7.527 -15.464 7.736 949 1HB GLN 123 1HB GLN 123 9.673 -13.481 7.415 950 2HB GLN 123 2HB GLN 123 10.207 -15.046 8.013 951 1HG GLN 123 1HG GLN 123 9.582 -16.149 6.086 952 2HG GLN 123 2HG GLN 123 8.421 -14.903 5.629 953 1HE2 GLN 123 1HE2 GLN 123 9.080 -14.165 3.728 954 2HE2 GLN 123 2HE2 GLN 123 10.675 -13.616 3.360 955 H GLU 124 H GLU 124 9.532 -16.615 9.041 956 HA GLU 124 HA GLU 124 10.174 -17.501 11.032 957 1HB GLU 124 1HB GLU 124 10.258 -14.678 11.388 958 2HB GLU 124 2HB GLU 124 9.628 -15.384 12.869 959 1HG GLU 124 1HG GLU 124 11.783 -17.000 12.197 960 2HG GLU 124 2HG GLU 124 12.320 -15.364 11.823 Start of MODEL 23 1 1H MET 1 1H MET 1 2.832 -14.905 -4.063 2 2H MET 1 2H MET 1 2.101 -13.418 -4.507 3 3H MET 1 3H MET 1 3.450 -13.431 -3.446 4 HA MET 1 HA MET 1 3.660 -14.575 -6.121 5 1HB MET 1 1HB MET 1 3.024 -11.848 -5.485 6 2HB MET 1 2HB MET 1 4.654 -11.920 -6.136 7 1HG MET 1 1HG MET 1 2.493 -13.384 -7.555 8 2HG MET 1 2HG MET 1 2.565 -11.628 -7.695 9 1HE MET 1 1HE MET 1 2.571 -13.199 -10.150 10 2HE MET 1 2HE MET 1 3.474 -14.643 -9.694 11 3HE MET 1 3HE MET 1 4.105 -13.563 -10.937 12 H GLN 2 H GLN 2 5.980 -13.773 -6.881 13 HA GLN 2 HA GLN 2 7.822 -14.062 -4.601 14 1HB GLN 2 1HB GLN 2 7.379 -16.044 -6.392 15 2HB GLN 2 2HB GLN 2 8.684 -15.186 -7.197 16 1HG GLN 2 1HG GLN 2 9.558 -15.376 -4.590 17 2HG GLN 2 2HG GLN 2 8.745 -16.914 -4.870 18 1HE2 GLN 2 1HE2 GLN 2 11.124 -17.475 -4.473 19 2HE2 GLN 2 2HE2 GLN 2 12.102 -17.640 -5.888 20 H ARG 3 H ARG 3 10.168 -13.608 -5.432 21 HA ARG 3 HA ARG 3 11.702 -12.161 -6.262 22 1HB ARG 3 1HB ARG 3 11.511 -11.533 -8.416 23 2HB ARG 3 2HB ARG 3 10.066 -12.527 -8.385 24 1HG ARG 3 1HG ARG 3 8.936 -10.262 -7.641 25 2HG ARG 3 2HG ARG 3 10.341 -9.570 -8.453 26 1HD ARG 3 1HD ARG 3 9.653 -11.305 -10.328 27 2HD ARG 3 2HD ARG 3 8.071 -11.135 -9.569 28 HE ARG 3 HE ARG 3 9.193 -8.590 -10.064 29 1HH1 ARG 3 1HH1 ARG 3 7.734 -11.291 -11.723 30 2HH1 ARG 3 2HH1 ARG 3 7.126 -10.325 -13.025 31 1HH2 ARG 3 1HH2 ARG 3 8.395 -7.316 -11.777 32 2HH2 ARG 3 2HH2 ARG 3 7.501 -8.069 -13.056 33 H GLY 4 H GLY 4 9.093 -11.342 -4.513 34 1HA GLY 4 1HA GLY 4 8.582 -9.541 -3.196 35 2HA GLY 4 2HA GLY 4 10.227 -8.997 -3.484 36 H ILE 5 H ILE 5 6.930 -8.499 -4.152 37 HA ILE 5 HA ILE 5 7.629 -6.347 -6.045 38 HB ILE 5 HB ILE 5 4.969 -7.760 -5.981 39 1HG1 ILE 5 1HG1 ILE 5 6.120 -8.613 -8.285 40 2HG1 ILE 5 2HG1 ILE 5 7.530 -8.539 -7.233 41 1HG2 ILE 5 1HG2 ILE 5 5.733 -5.383 -7.127 42 2HG2 ILE 5 2HG2 ILE 5 4.346 -6.361 -7.608 43 3HG2 ILE 5 3HG2 ILE 5 5.882 -6.529 -8.459 44 1HD1 ILE 5 1HD1 ILE 5 5.077 -9.908 -6.262 45 2HD1 ILE 5 2HD1 ILE 5 6.771 -10.206 -5.867 46 3HD1 ILE 5 3HD1 ILE 5 6.124 -10.722 -7.425 47 H VAL 6 H VAL 6 7.460 -4.464 -5.058 48 HA VAL 6 HA VAL 6 5.295 -4.067 -3.098 49 HB VAL 6 HB VAL 6 7.527 -3.833 -2.106 50 1HG1 VAL 6 1HG1 VAL 6 8.082 -1.375 -3.668 51 2HG1 VAL 6 2HG1 VAL 6 8.408 -2.931 -4.422 52 3HG1 VAL 6 3HG1 VAL 6 9.191 -2.512 -2.909 53 1HG2 VAL 6 1HG2 VAL 6 6.927 -2.075 -0.819 54 2HG2 VAL 6 2HG2 VAL 6 5.422 -2.224 -1.725 55 3HG2 VAL 6 3HG2 VAL 6 6.626 -1.023 -2.200 56 H TRP 7 H TRP 7 3.740 -2.650 -3.627 57 HA TRP 7 HA TRP 7 4.325 -0.715 -5.770 58 1HB TRP 7 1HB TRP 7 1.763 -2.188 -5.167 59 2HB TRP 7 2HB TRP 7 1.887 -0.878 -6.337 60 HD1 TRP 7 HD1 TRP 7 4.959 -2.277 -7.093 61 HE1 TRP 7 HE1 TRP 7 4.876 -4.145 -8.853 62 HE3 TRP 7 HE3 TRP 7 -0.023 -3.411 -6.833 63 HZ2 TRP 7 HZ2 TRP 7 2.958 -5.894 -9.967 64 HZ3 TRP 7 HZ3 TRP 7 -0.897 -5.202 -8.277 65 HH2 TRP 7 HH2 TRP 7 0.565 -6.423 -9.809 66 H VAL 8 H VAL 8 3.789 1.387 -5.466 67 HA VAL 8 HA VAL 8 2.555 2.105 -2.882 68 HB VAL 8 HB VAL 8 4.373 4.088 -4.073 69 1HG1 VAL 8 1HG1 VAL 8 3.429 4.508 -1.921 70 2HG1 VAL 8 2HG1 VAL 8 5.154 4.211 -1.705 71 3HG1 VAL 8 3HG1 VAL 8 3.990 2.952 -1.307 72 1HG2 VAL 8 1HG2 VAL 8 5.345 1.363 -3.311 73 2HG2 VAL 8 2HG2 VAL 8 6.355 2.774 -2.999 74 3HG2 VAL 8 3HG2 VAL 8 5.847 2.400 -4.648 75 H VAL 9 H VAL 9 0.675 3.165 -3.122 76 HA VAL 9 HA VAL 9 0.219 4.672 -5.610 77 HB VAL 9 HB VAL 9 -2.093 4.291 -3.818 78 1HG1 VAL 9 1HG1 VAL 9 -2.770 3.271 -6.278 79 2HG1 VAL 9 2HG1 VAL 9 -1.480 4.423 -6.666 80 3HG1 VAL 9 3HG1 VAL 9 -2.894 4.971 -5.795 81 1HG2 VAL 9 1HG2 VAL 9 -0.879 1.904 -5.197 82 2HG2 VAL 9 2HG2 VAL 9 -2.434 1.949 -4.364 83 3HG2 VAL 9 3HG2 VAL 9 -0.944 2.156 -3.459 84 H ASP 10 H ASP 10 0.876 6.715 -5.325 85 HA ASP 10 HA ASP 10 -0.495 8.643 -3.982 86 1HB ASP 10 1HB ASP 10 0.135 7.566 -1.841 87 2HB ASP 10 2HB ASP 10 1.836 7.777 -2.246 88 H ASP 11 H ASP 11 0.055 10.357 -5.121 89 HA ASP 11 HA ASP 11 1.259 12.022 -6.082 90 1HB ASP 11 1HB ASP 11 2.878 11.244 -4.024 91 2HB ASP 11 2HB ASP 11 3.939 11.028 -5.414 92 H ASP 12 H ASP 12 2.048 8.707 -6.685 93 HA ASP 12 HA ASP 12 2.500 7.630 -8.631 94 1HB ASP 12 1HB ASP 12 1.089 9.696 -9.521 95 2HB ASP 12 2HB ASP 12 2.637 10.157 -10.218 96 H SER 13 H SER 13 4.132 9.147 -10.788 97 HA SER 13 HA SER 13 6.552 8.147 -10.582 98 1HB SER 13 1HB SER 13 5.741 9.718 -12.368 99 2HB SER 13 2HB SER 13 6.229 11.049 -11.318 100 HG SER 13 HG SER 13 7.736 9.736 -13.005 101 H SER 14 H SER 14 5.654 11.074 -8.851 102 HA SER 14 HA SER 14 8.118 11.759 -7.786 103 1HB SER 14 1HB SER 14 5.306 12.266 -7.070 104 2HB SER 14 2HB SER 14 6.441 12.403 -5.728 105 HG SER 14 HG SER 14 6.921 13.660 -8.210 106 H ILE 15 H ILE 15 5.613 10.069 -5.907 107 HA ILE 15 HA ILE 15 7.366 9.155 -3.921 108 HB ILE 15 HB ILE 15 4.641 8.170 -4.778 109 1HG1 ILE 15 1HG1 ILE 15 4.847 10.439 -3.755 110 2HG1 ILE 15 2HG1 ILE 15 3.859 9.329 -2.813 111 1HG2 ILE 15 1HG2 ILE 15 5.858 6.305 -3.752 112 2HG2 ILE 15 2HG2 ILE 15 4.553 6.872 -2.711 113 3HG2 ILE 15 3HG2 ILE 15 6.223 7.313 -2.352 114 1HD1 ILE 15 1HD1 ILE 15 5.335 10.702 -1.424 115 2HD1 ILE 15 2HD1 ILE 15 6.733 9.998 -2.237 116 3HD1 ILE 15 3HD1 ILE 15 5.673 8.978 -1.263 117 H ARG 16 H ARG 16 6.786 8.036 -7.104 118 HA ARG 16 HA ARG 16 7.553 5.315 -6.750 119 1HB ARG 16 1HB ARG 16 6.210 6.374 -8.670 120 2HB ARG 16 2HB ARG 16 7.765 6.870 -9.316 121 1HG ARG 16 1HG ARG 16 8.436 4.438 -9.246 122 2HG ARG 16 2HG ARG 16 6.744 4.075 -8.908 123 1HD ARG 16 1HD ARG 16 7.156 3.858 -11.276 124 2HD ARG 16 2HD ARG 16 6.107 5.242 -10.978 125 HE ARG 16 HE ARG 16 8.993 5.643 -11.332 126 1HH1 ARG 16 1HH1 ARG 16 5.717 6.155 -12.447 127 2HH1 ARG 16 2HH1 ARG 16 6.170 7.379 -13.583 128 1HH2 ARG 16 1HH2 ARG 16 9.577 7.246 -12.827 129 2HH2 ARG 16 2HH2 ARG 16 8.358 7.996 -13.801 130 H TRP 17 H TRP 17 9.235 7.975 -8.426 131 HA TRP 17 HA TRP 17 11.628 6.756 -8.893 132 1HB TRP 17 1HB TRP 17 11.072 8.986 -9.727 133 2HB TRP 17 2HB TRP 17 11.230 9.643 -8.099 134 HD1 TRP 17 HD1 TRP 17 13.399 8.061 -10.874 135 HE1 TRP 17 HE1 TRP 17 15.823 8.865 -10.549 136 HE3 TRP 17 HE3 TRP 17 12.817 10.615 -6.489 137 HZ2 TRP 17 HZ2 TRP 17 17.295 10.384 -8.676 138 HZ3 TRP 17 HZ3 TRP 17 14.780 11.716 -5.494 139 HH2 TRP 17 HH2 TRP 17 16.971 11.602 -6.565 140 H VAL 18 H VAL 18 10.772 8.524 -5.922 141 HA VAL 18 HA VAL 18 13.264 8.154 -4.679 142 HB VAL 18 HB VAL 18 10.942 8.277 -2.867 143 1HG1 VAL 18 1HG1 VAL 18 12.316 9.581 -1.593 144 2HG1 VAL 18 2HG1 VAL 18 13.124 10.291 -2.992 145 3HG1 VAL 18 3HG1 VAL 18 13.518 8.647 -2.486 146 1HG2 VAL 18 1HG2 VAL 18 9.860 9.682 -4.306 147 2HG2 VAL 18 2HG2 VAL 18 11.352 10.242 -5.061 148 3HG2 VAL 18 3HG2 VAL 18 10.892 10.838 -3.466 149 H LEU 19 H LEU 19 10.223 6.537 -3.924 150 HA LEU 19 HA LEU 19 11.430 4.600 -2.280 151 1HB LEU 19 1HB LEU 19 8.714 4.847 -3.505 152 2HB LEU 19 2HB LEU 19 9.165 3.403 -2.620 153 HG LEU 19 HG LEU 19 9.124 6.205 -1.495 154 1HD1 LEU 19 1HD1 LEU 19 6.932 5.821 -1.337 155 2HD1 LEU 19 2HD1 LEU 19 7.353 4.653 -0.083 156 3HD1 LEU 19 3HD1 LEU 19 7.113 4.115 -1.745 157 1HD2 LEU 19 1HD2 LEU 19 10.758 4.290 -0.625 158 2HD2 LEU 19 2HD2 LEU 19 9.293 3.792 0.215 159 3HD2 LEU 19 3HD2 LEU 19 9.947 5.410 0.466 160 H GLU 20 H GLU 20 11.010 4.686 -5.707 161 HA GLU 20 HA GLU 20 10.978 1.899 -6.091 162 1HB GLU 20 1HB GLU 20 11.359 2.269 -8.394 163 2HB GLU 20 2HB GLU 20 10.306 3.548 -7.834 164 1HG GLU 20 1HG GLU 20 12.205 5.071 -7.782 165 2HG GLU 20 2HG GLU 20 13.255 3.778 -8.353 166 H ARG 21 H ARG 21 13.643 4.179 -6.507 167 HA ARG 21 HA ARG 21 15.618 2.250 -6.939 168 1HB ARG 21 1HB ARG 21 15.851 5.022 -5.765 169 2HB ARG 21 2HB ARG 21 17.229 4.037 -6.237 170 1HG ARG 21 1HG ARG 21 15.194 4.348 -8.316 171 2HG ARG 21 2HG ARG 21 15.989 5.848 -7.832 172 1HD ARG 21 1HD ARG 21 17.882 5.279 -8.868 173 2HD ARG 21 2HD ARG 21 17.874 3.667 -8.157 174 HE ARG 21 HE ARG 21 15.999 4.015 -10.313 175 1HH1 ARG 21 1HH1 ARG 21 19.272 3.158 -9.456 176 2HH1 ARG 21 2HH1 ARG 21 19.540 2.235 -10.896 177 1HH2 ARG 21 1HH2 ARG 21 16.349 2.801 -12.208 178 2HH2 ARG 21 2HH2 ARG 21 17.880 2.033 -12.460 179 H ALA 22 H ALA 22 14.754 3.887 -3.892 180 HA ALA 22 HA ALA 22 16.615 2.582 -2.286 181 1HB ALA 22 1HB ALA 22 15.560 3.523 -0.473 182 2HB ALA 22 2HB ALA 22 13.952 3.299 -1.163 183 3HB ALA 22 3HB ALA 22 15.005 4.576 -1.774 184 H LEU 23 H LEU 23 13.229 1.731 -2.828 185 HA LEU 23 HA LEU 23 13.366 -0.637 -1.284 186 1HB LEU 23 1HB LEU 23 11.352 0.798 -2.537 187 2HB LEU 23 2HB LEU 23 11.371 -0.732 -3.384 188 HG LEU 23 HG LEU 23 11.162 -0.487 -0.388 189 1HD1 LEU 23 1HD1 LEU 23 9.116 0.334 -0.860 190 2HD1 LEU 23 2HD1 LEU 23 8.743 -1.361 -1.175 191 3HD1 LEU 23 3HD1 LEU 23 9.132 -0.280 -2.513 192 1HD2 LEU 23 1HD2 LEU 23 10.197 -2.849 -0.794 193 2HD2 LEU 23 2HD2 LEU 23 11.948 -2.627 -0.854 194 3HD2 LEU 23 3HD2 LEU 23 11.020 -2.746 -2.351 195 H ALA 24 H ALA 24 14.334 0.144 -4.496 196 HA ALA 24 HA ALA 24 14.266 -2.483 -5.574 197 1HB ALA 24 1HB ALA 24 16.405 -1.014 -6.747 198 2HB ALA 24 2HB ALA 24 15.066 0.097 -6.479 199 3HB ALA 24 3HB ALA 24 14.817 -1.367 -7.426 200 H GLY 25 H GLY 25 16.532 -0.623 -3.636 201 1HA GLY 25 1HA GLY 25 18.773 -2.312 -3.838 202 2HA GLY 25 2HA GLY 25 18.405 -1.267 -2.471 203 H ALA 26 H ALA 26 15.791 -2.592 -2.068 204 HA ALA 26 HA ALA 26 16.692 -4.666 -0.322 205 1HB ALA 26 1HB ALA 26 14.180 -4.915 0.088 206 2HB ALA 26 2HB ALA 26 13.994 -3.508 -0.959 207 3HB ALA 26 3HB ALA 26 14.926 -3.380 0.533 208 H GLY 27 H GLY 27 15.726 -4.498 -3.576 209 1HA GLY 27 1HA GLY 27 15.978 -6.291 -5.073 210 2HA GLY 27 2HA GLY 27 15.772 -7.409 -3.739 211 H LEU 28 H LEU 28 13.442 -4.812 -4.152 212 HA LEU 28 HA LEU 28 11.591 -6.798 -5.224 213 1HB LEU 28 1HB LEU 28 10.635 -4.585 -3.475 214 2HB LEU 28 2HB LEU 28 9.895 -6.144 -3.799 215 HG LEU 28 HG LEU 28 12.141 -6.959 -2.611 216 1HD1 LEU 28 1HD1 LEU 28 11.870 -4.170 -1.900 217 2HD1 LEU 28 2HD1 LEU 28 13.270 -5.220 -1.865 218 3HD1 LEU 28 3HD1 LEU 28 12.106 -5.257 -0.539 219 1HD2 LEU 28 1HD2 LEU 28 10.753 -7.723 -1.008 220 2HD2 LEU 28 2HD2 LEU 28 9.502 -7.046 -2.050 221 3HD2 LEU 28 3HD2 LEU 28 10.099 -6.119 -0.672 222 H THR 29 H THR 29 9.717 -5.982 -6.369 223 HA THR 29 HA THR 29 10.475 -3.926 -8.250 224 HB THR 29 HB THR 29 8.024 -5.686 -8.031 225 HG1 THR 29 HG1 THR 29 10.087 -6.619 -8.660 226 1HG2 THR 29 1HG2 THR 29 6.989 -4.333 -9.444 227 2HG2 THR 29 2HG2 THR 29 8.192 -4.810 -10.642 228 3HG2 THR 29 3HG2 THR 29 8.435 -3.351 -9.682 229 H CYS 30 H CYS 30 9.903 -1.858 -8.175 230 HA CYS 30 HA CYS 30 7.788 -1.046 -6.274 231 1HB CYS 30 1HB CYS 30 9.804 0.934 -7.121 232 2HB CYS 30 2HB CYS 30 9.094 0.645 -5.536 233 HG CYS 30 HG CYS 30 10.860 -1.593 -5.787 234 H THR 31 H THR 31 5.993 -0.584 -7.405 235 HA THR 31 HA THR 31 6.250 1.321 -9.628 236 HB THR 31 HB THR 31 5.700 -1.125 -10.349 237 HG1 THR 31 HG1 THR 31 3.986 1.014 -11.093 238 1HG2 THR 31 1HG2 THR 31 3.807 -2.094 -9.764 239 2HG2 THR 31 2HG2 THR 31 2.876 -0.652 -10.159 240 3HG2 THR 31 3HG2 THR 31 3.594 -0.825 -8.561 241 H THR 32 H THR 32 4.671 2.957 -9.623 242 HA THR 32 HA THR 32 2.917 2.891 -7.269 243 HB THR 32 HB THR 32 3.078 5.334 -7.189 244 HG1 THR 32 HG1 THR 32 4.531 4.920 -9.533 245 1HG2 THR 32 1HG2 THR 32 5.013 5.388 -6.044 246 2HG2 THR 32 2HG2 THR 32 5.919 4.585 -7.324 247 3HG2 THR 32 3HG2 THR 32 4.903 3.637 -6.242 248 H PHE 33 H PHE 33 0.993 4.218 -7.350 249 HA PHE 33 HA PHE 33 -0.163 4.502 -10.019 250 1HB PHE 33 1HB PHE 33 -1.584 3.120 -7.738 251 2HB PHE 33 2HB PHE 33 -2.183 3.354 -9.364 252 HD1 PHE 33 HD1 PHE 33 0.767 1.892 -7.630 253 HD2 PHE 33 HD2 PHE 33 -2.052 1.566 -10.801 254 HE1 PHE 33 HE1 PHE 33 1.758 -0.258 -8.281 255 HE2 PHE 33 HE2 PHE 33 -1.068 -0.594 -11.455 256 HZ PHE 33 HZ PHE 33 0.839 -1.509 -10.194 257 H GLU 34 H GLU 34 -2.443 5.630 -9.767 258 HA GLU 34 HA GLU 34 -1.931 8.184 -8.765 259 1HB GLU 34 1HB GLU 34 -4.315 8.645 -9.273 260 2HB GLU 34 2HB GLU 34 -3.440 7.876 -10.590 261 1HG GLU 34 1HG GLU 34 -5.171 6.489 -10.697 262 2HG GLU 34 2HG GLU 34 -4.468 5.730 -9.275 263 H ASN 35 H ASN 35 -4.424 5.908 -7.467 264 HA ASN 35 HA ASN 35 -3.857 6.913 -4.832 265 1HB ASN 35 1HB ASN 35 -5.912 8.066 -6.324 266 2HB ASN 35 2HB ASN 35 -6.712 7.000 -5.174 267 1HD2 ASN 35 1HD2 ASN 35 -6.915 7.638 -3.123 268 2HD2 ASN 35 2HD2 ASN 35 -6.219 9.072 -2.459 269 H GLY 36 H GLY 36 -6.392 5.109 -6.499 270 1HA GLY 36 1HA GLY 36 -5.713 2.752 -4.933 271 2HA GLY 36 2HA GLY 36 -7.300 3.435 -4.644 272 H ASN 37 H ASN 37 -8.342 4.012 -7.018 273 HA ASN 37 HA ASN 37 -9.114 1.552 -8.024 274 1HB ASN 37 1HB ASN 37 -9.648 4.298 -8.654 275 2HB ASN 37 2HB ASN 37 -9.444 3.377 -10.142 276 1HD2 ASN 37 1HD2 ASN 37 -10.688 2.182 -7.070 277 2HD2 ASN 37 2HD2 ASN 37 -12.278 1.823 -7.641 278 H GLU 38 H GLU 38 -6.387 3.523 -8.875 279 HA GLU 38 HA GLU 38 -5.791 2.335 -11.349 280 1HB GLU 38 1HB GLU 38 -4.805 4.426 -10.249 281 2HB GLU 38 2HB GLU 38 -3.694 3.328 -9.458 282 1HG GLU 38 1HG GLU 38 -2.395 3.582 -11.249 283 2HG GLU 38 2HG GLU 38 -3.564 2.579 -12.106 284 H VAL 39 H VAL 39 -4.236 1.628 -8.126 285 HA VAL 39 HA VAL 39 -2.776 -0.574 -8.943 286 HB VAL 39 HB VAL 39 -4.276 -0.493 -6.328 287 1HG1 VAL 39 1HG1 VAL 39 -2.791 -2.059 -5.539 288 2HG1 VAL 39 2HG1 VAL 39 -1.540 -1.620 -6.703 289 3HG1 VAL 39 3HG1 VAL 39 -2.935 -2.566 -7.222 290 1HG2 VAL 39 1HG2 VAL 39 -2.255 1.280 -7.343 291 2HG2 VAL 39 2HG2 VAL 39 -1.666 0.398 -5.934 292 3HG2 VAL 39 3HG2 VAL 39 -3.152 1.341 -5.829 293 H LEU 40 H LEU 40 -6.193 -0.486 -8.005 294 HA LEU 40 HA LEU 40 -6.828 -3.150 -7.905 295 1HB LEU 40 1HB LEU 40 -8.535 -1.154 -9.383 296 2HB LEU 40 2HB LEU 40 -9.066 -2.606 -8.562 297 HG LEU 40 HG LEU 40 -7.990 -0.114 -7.248 298 1HD1 LEU 40 1HD1 LEU 40 -10.261 0.073 -8.185 299 2HD1 LEU 40 2HD1 LEU 40 -10.237 0.165 -6.420 300 3HD1 LEU 40 3HD1 LEU 40 -10.743 -1.323 -7.223 301 1HD2 LEU 40 1HD2 LEU 40 -9.142 -1.598 -5.282 302 2HD2 LEU 40 2HD2 LEU 40 -7.409 -1.533 -5.608 303 3HD2 LEU 40 3HD2 LEU 40 -8.381 -2.848 -6.268 304 H ALA 41 H ALA 41 -6.571 -1.149 -10.820 305 HA ALA 41 HA ALA 41 -7.276 -3.069 -12.708 306 1HB ALA 41 1HB ALA 41 -5.188 -0.958 -13.154 307 2HB ALA 41 2HB ALA 41 -6.913 -0.595 -13.082 308 3HB ALA 41 3HB ALA 41 -6.288 -1.664 -14.338 309 H ALA 42 H ALA 42 -4.131 -2.234 -11.403 310 HA ALA 42 HA ALA 42 -2.663 -4.154 -12.875 311 1HB ALA 42 1HB ALA 42 -1.124 -2.720 -12.120 312 2HB ALA 42 2HB ALA 42 -1.144 -3.683 -10.641 313 3HB ALA 42 3HB ALA 42 -2.126 -2.222 -10.757 314 H LEU 43 H LEU 43 -4.105 -4.155 -9.646 315 HA LEU 43 HA LEU 43 -3.064 -6.645 -8.842 316 1HB LEU 43 1HB LEU 43 -5.313 -4.917 -7.911 317 2HB LEU 43 2HB LEU 43 -5.164 -6.550 -7.286 318 HG LEU 43 HG LEU 43 -2.922 -4.552 -7.137 319 1HD1 LEU 43 1HD1 LEU 43 -5.356 -4.825 -5.507 320 2HD1 LEU 43 2HD1 LEU 43 -4.270 -3.451 -5.707 321 3HD1 LEU 43 3HD1 LEU 43 -3.843 -4.758 -4.603 322 1HD2 LEU 43 1HD2 LEU 43 -2.412 -6.178 -5.182 323 2HD2 LEU 43 2HD2 LEU 43 -2.027 -6.659 -6.835 324 3HD2 LEU 43 3HD2 LEU 43 -3.485 -7.274 -6.054 325 H ALA 44 H ALA 44 -5.805 -5.739 -10.743 326 HA ALA 44 HA ALA 44 -7.339 -8.068 -10.557 327 1HB ALA 44 1HB ALA 44 -8.254 -7.374 -12.778 328 2HB ALA 44 2HB ALA 44 -7.049 -6.087 -12.805 329 3HB ALA 44 3HB ALA 44 -8.283 -6.112 -11.546 330 H SER 45 H SER 45 -4.326 -7.514 -12.098 331 HA SER 45 HA SER 45 -4.524 -10.110 -13.415 332 1HB SER 45 1HB SER 45 -4.457 -8.255 -15.044 333 2HB SER 45 2HB SER 45 -2.913 -7.740 -14.362 334 HG SER 45 HG SER 45 -2.002 -9.670 -15.049 335 H LYS 46 H LYS 46 -3.112 -8.609 -10.859 336 HA LYS 46 HA LYS 46 -1.157 -10.651 -10.580 337 1HB LYS 46 1HB LYS 46 0.464 -9.623 -11.737 338 2HB LYS 46 2HB LYS 46 -0.355 -8.072 -11.710 339 1HG LYS 46 1HG LYS 46 1.537 -7.572 -10.603 340 2HG LYS 46 2HG LYS 46 0.509 -8.036 -9.242 341 1HD LYS 46 1HD LYS 46 2.309 -9.237 -8.740 342 2HD LYS 46 2HD LYS 46 1.536 -10.399 -9.822 343 1HE LYS 46 1HE LYS 46 3.318 -8.415 -11.086 344 2HE LYS 46 2HE LYS 46 4.107 -9.610 -10.057 345 1HZ LYS 46 1HZ LYS 46 3.308 -11.362 -11.368 346 2HZ LYS 46 2HZ LYS 46 3.845 -10.205 -12.478 347 3HZ LYS 46 3HZ LYS 46 2.192 -10.380 -12.176 348 H THR 47 H THR 47 0.126 -10.368 -8.557 349 HA THR 47 HA THR 47 -1.199 -8.677 -6.593 350 HB THR 47 HB THR 47 -0.803 -11.656 -6.346 351 HG1 THR 47 HG1 THR 47 -3.050 -11.624 -6.059 352 1HG2 THR 47 1HG2 THR 47 -1.958 -9.903 -4.208 353 2HG2 THR 47 2HG2 THR 47 -0.264 -10.397 -4.216 354 3HG2 THR 47 3HG2 THR 47 -1.540 -11.613 -4.120 355 HA PRO 48 HA PRO 48 3.189 -8.204 -5.680 356 1HB PRO 48 1HB PRO 48 2.996 -5.998 -4.164 357 2HB PRO 48 2HB PRO 48 2.806 -5.929 -5.921 358 1HG PRO 48 1HG PRO 48 0.706 -5.968 -3.786 359 2HG PRO 48 2HG PRO 48 0.800 -4.961 -5.244 360 1HD PRO 48 1HD PRO 48 -0.736 -7.212 -5.063 361 2HD PRO 48 2HD PRO 48 -0.054 -6.613 -6.583 362 H ASP 49 H ASP 49 4.501 -8.188 -3.699 363 HA ASP 49 HA ASP 49 3.360 -9.905 -1.696 364 1HB ASP 49 1HB ASP 49 6.099 -8.663 -2.018 365 2HB ASP 49 2HB ASP 49 5.670 -9.691 -0.654 366 H VAL 50 H VAL 50 4.161 -6.530 -2.015 367 HA VAL 50 HA VAL 50 2.770 -5.950 0.483 368 HB VAL 50 HB VAL 50 5.059 -6.035 1.226 369 1HG1 VAL 50 1HG1 VAL 50 5.675 -5.223 -1.373 370 2HG1 VAL 50 2HG1 VAL 50 6.799 -5.580 -0.063 371 3HG1 VAL 50 3HG1 VAL 50 6.247 -3.927 -0.322 372 1HG2 VAL 50 1HG2 VAL 50 4.696 -4.248 2.485 373 2HG2 VAL 50 2HG2 VAL 50 3.512 -3.663 1.322 374 3HG2 VAL 50 3HG2 VAL 50 5.202 -3.193 1.168 375 H LEU 51 H LEU 51 1.845 -3.813 0.488 376 HA LEU 51 HA LEU 51 2.290 -2.151 -1.858 377 1HB LEU 51 1HB LEU 51 0.708 -3.646 -2.776 378 2HB LEU 51 2HB LEU 51 -0.270 -3.632 -1.325 379 HG LEU 51 HG LEU 51 -0.348 -0.989 -2.141 380 1HD1 LEU 51 1HD1 LEU 51 -1.195 -1.455 -4.575 381 2HD1 LEU 51 2HD1 LEU 51 -0.053 -2.796 -4.489 382 3HD1 LEU 51 3HD1 LEU 51 0.507 -1.138 -4.255 383 1HD2 LEU 51 1HD2 LEU 51 -2.120 -2.827 -1.422 384 2HD2 LEU 51 2HD2 LEU 51 -2.416 -2.855 -3.160 385 3HD2 LEU 51 3HD2 LEU 51 -2.592 -1.349 -2.259 386 H LEU 52 H LEU 52 1.627 -0.066 -1.666 387 HA LEU 52 HA LEU 52 0.471 0.776 0.915 388 1HB LEU 52 1HB LEU 52 2.668 2.041 -0.718 389 2HB LEU 52 2HB LEU 52 1.859 2.866 0.595 390 HG LEU 52 HG LEU 52 2.875 0.309 1.473 391 1HD1 LEU 52 1HD1 LEU 52 5.162 2.080 0.964 392 2HD1 LEU 52 2HD1 LEU 52 4.497 1.293 -0.469 393 3HD1 LEU 52 3HD1 LEU 52 5.048 0.321 0.895 394 1HD2 LEU 52 1HD2 LEU 52 3.344 1.480 3.341 395 2HD2 LEU 52 2HD2 LEU 52 2.261 2.664 2.600 396 3HD2 LEU 52 3HD2 LEU 52 4.013 2.842 2.443 397 H SER 53 H SER 53 -1.463 1.833 0.608 398 HA SER 53 HA SER 53 -1.917 3.012 -2.057 399 1HB SER 53 1HB SER 53 -3.377 1.060 -0.989 400 2HB SER 53 2HB SER 53 -4.217 2.431 -0.265 401 HG SER 53 HG SER 53 -4.880 1.603 -2.463 402 H ASP 54 H ASP 54 -3.004 4.974 -2.292 403 HA ASP 54 HA ASP 54 -2.423 6.895 -0.243 404 1HB ASP 54 1HB ASP 54 -2.403 7.177 -2.865 405 2HB ASP 54 2HB ASP 54 -4.099 7.578 -2.618 406 H ILE 55 H ILE 55 -4.092 8.581 0.280 407 HA ILE 55 HA ILE 55 -6.779 7.518 0.588 408 HB ILE 55 HB ILE 55 -5.929 6.766 2.614 409 1HG1 ILE 55 1HG1 ILE 55 -6.886 9.567 3.253 410 2HG1 ILE 55 2HG1 ILE 55 -7.920 8.162 3.024 411 1HG2 ILE 55 1HG2 ILE 55 -4.373 7.994 4.026 412 2HG2 ILE 55 2HG2 ILE 55 -4.372 9.324 2.867 413 3HG2 ILE 55 3HG2 ILE 55 -3.730 7.748 2.404 414 1HD1 ILE 55 1HD1 ILE 55 -6.535 7.148 4.958 415 2HD1 ILE 55 2HD1 ILE 55 -7.798 8.328 5.309 416 3HD1 ILE 55 3HD1 ILE 55 -6.106 8.825 5.288 417 H ARG 56 H ARG 56 -8.264 9.226 1.478 418 HA ARG 56 HA ARG 56 -9.252 11.240 1.362 419 1HB ARG 56 1HB ARG 56 -8.073 13.191 1.935 420 2HB ARG 56 2HB ARG 56 -7.273 11.889 2.794 421 1HG ARG 56 1HG ARG 56 -5.325 12.332 1.830 422 2HG ARG 56 2HG ARG 56 -6.041 12.382 0.220 423 1HD ARG 56 1HD ARG 56 -5.182 14.532 0.547 424 2HD ARG 56 2HD ARG 56 -6.908 14.692 0.868 425 HE ARG 56 HE ARG 56 -5.798 14.199 3.313 426 1HH1 ARG 56 1HH1 ARG 56 -5.274 16.580 0.816 427 2HH1 ARG 56 2HH1 ARG 56 -4.785 17.816 1.924 428 1HH2 ARG 56 1HH2 ARG 56 -5.157 15.824 4.772 429 2HH2 ARG 56 2HH2 ARG 56 -4.717 17.388 4.171 430 H MET 57 H MET 57 -9.666 10.249 -0.808 431 HA MET 57 HA MET 57 -9.378 12.317 -2.775 432 1HB MET 57 1HB MET 57 -7.305 10.696 -2.886 433 2HB MET 57 2HB MET 57 -8.425 9.649 -3.735 434 1HG MET 57 1HG MET 57 -8.451 12.382 -4.724 435 2HG MET 57 2HG MET 57 -6.879 11.597 -4.863 436 1HE MET 57 1HE MET 57 -10.426 11.802 -6.875 437 2HE MET 57 2HE MET 57 -9.230 11.717 -8.169 438 3HE MET 57 3HE MET 57 -8.975 12.801 -6.802 439 HA PRO 58 HA PRO 58 -12.440 8.994 -4.490 440 1HB PRO 58 1HB PRO 58 -12.717 6.659 -3.159 441 2HB PRO 58 2HB PRO 58 -11.475 6.894 -4.394 442 1HG PRO 58 1HG PRO 58 -11.231 7.135 -1.409 443 2HG PRO 58 2HG PRO 58 -10.203 6.233 -2.538 444 1HD PRO 58 1HD PRO 58 -9.476 8.645 -1.662 445 2HD PRO 58 2HD PRO 58 -9.180 8.153 -3.338 446 H GLY 59 H GLY 59 -14.333 7.416 -3.141 447 1HA GLY 59 1HA GLY 59 -15.913 9.377 -1.887 448 2HA GLY 59 2HA GLY 59 -16.244 7.651 -1.896 449 H MET 60 H MET 60 -14.936 6.342 -0.304 450 HA MET 60 HA MET 60 -15.274 7.462 2.293 451 1HB MET 60 1HB MET 60 -15.149 4.914 1.254 452 2HB MET 60 2HB MET 60 -13.640 5.034 2.145 453 1HG MET 60 1HG MET 60 -14.878 5.659 4.157 454 2HG MET 60 2HG MET 60 -16.391 5.524 3.262 455 1HE MET 60 1HE MET 60 -17.307 2.888 5.135 456 2HE MET 60 2HE MET 60 -17.616 2.441 3.456 457 3HE MET 60 3HE MET 60 -17.701 4.132 3.948 458 H ASP 61 H ASP 61 -13.684 9.266 1.369 459 HA ASP 61 HA ASP 61 -11.739 10.407 1.598 460 1HB ASP 61 1HB ASP 61 -12.162 9.003 4.027 461 2HB ASP 61 2HB ASP 61 -10.442 8.899 3.664 462 H GLY 62 H GLY 62 -10.535 7.250 2.624 463 1HA GLY 62 1HA GLY 62 -9.091 6.937 0.107 464 2HA GLY 62 2HA GLY 62 -8.130 7.095 1.565 465 H LEU 63 H LEU 63 -10.075 5.660 3.210 466 HA LEU 63 HA LEU 63 -9.030 3.076 2.915 467 1HB LEU 63 1HB LEU 63 -11.571 3.711 4.390 468 2HB LEU 63 2HB LEU 63 -10.417 2.433 4.722 469 HG LEU 63 HG LEU 63 -8.807 4.547 5.070 470 1HD1 LEU 63 1HD1 LEU 63 -9.894 6.471 5.106 471 2HD1 LEU 63 2HD1 LEU 63 -10.700 5.920 6.575 472 3HD1 LEU 63 3HD1 LEU 63 -11.457 5.661 5.003 473 1HD2 LEU 63 1HD2 LEU 63 -9.107 2.784 6.679 474 2HD2 LEU 63 2HD2 LEU 63 -10.706 3.392 7.101 475 3HD2 LEU 63 3HD2 LEU 63 -9.271 4.345 7.484 476 H ALA 64 H ALA 64 -11.590 4.654 1.299 477 HA ALA 64 HA ALA 64 -13.302 2.507 0.726 478 1HB ALA 64 1HB ALA 64 -12.921 4.386 -1.480 479 2HB ALA 64 2HB ALA 64 -13.215 5.166 0.073 480 3HB ALA 64 3HB ALA 64 -14.374 3.998 -0.559 481 H LEU 65 H LEU 65 -10.292 3.583 -0.744 482 HA LEU 65 HA LEU 65 -10.311 1.932 -3.010 483 1HB LEU 65 1HB LEU 65 -7.859 2.777 -1.477 484 2HB LEU 65 2HB LEU 65 -7.960 2.363 -3.178 485 HG LEU 65 HG LEU 65 -9.294 4.763 -1.930 486 1HD1 LEU 65 1HD1 LEU 65 -7.196 5.394 -3.776 487 2HD1 LEU 65 2HD1 LEU 65 -6.569 4.383 -2.474 488 3HD1 LEU 65 3HD1 LEU 65 -7.397 5.894 -2.097 489 1HD2 LEU 65 1HD2 LEU 65 -9.430 3.497 -4.548 490 2HD2 LEU 65 2HD2 LEU 65 -8.985 5.202 -4.630 491 3HD2 LEU 65 3HD2 LEU 65 -10.476 4.717 -3.822 492 H LEU 66 H LEU 66 -9.215 1.383 0.282 493 HA LEU 66 HA LEU 66 -7.879 -1.032 -0.046 494 1HB LEU 66 1HB LEU 66 -9.474 0.103 2.235 495 2HB LEU 66 2HB LEU 66 -8.708 -1.468 2.353 496 HG LEU 66 HG LEU 66 -7.300 0.195 3.394 497 1HD1 LEU 66 1HD1 LEU 66 -5.340 -0.551 2.532 498 2HD1 LEU 66 2HD1 LEU 66 -5.828 -0.252 0.864 499 3HD1 LEU 66 3HD1 LEU 66 -6.430 -1.673 1.717 500 1HD2 LEU 66 1HD2 LEU 66 -6.720 1.619 0.871 501 2HD2 LEU 66 2HD2 LEU 66 -6.771 2.217 2.530 502 3HD2 LEU 66 3HD2 LEU 66 -8.268 1.969 1.635 503 H LYS 67 H LYS 67 -11.309 -0.370 0.460 504 HA LYS 67 HA LYS 67 -12.224 -2.994 0.673 505 1HB LYS 67 1HB LYS 67 -13.571 -0.946 1.120 506 2HB LYS 67 2HB LYS 67 -13.678 -0.682 -0.617 507 1HG LYS 67 1HG LYS 67 -14.921 -2.705 -0.911 508 2HG LYS 67 2HG LYS 67 -14.676 -3.158 0.774 509 1HD LYS 67 1HD LYS 67 -16.217 -0.757 -0.208 510 2HD LYS 67 2HD LYS 67 -16.920 -2.254 0.407 511 1HE LYS 67 1HE LYS 67 -15.186 -0.325 1.952 512 2HE LYS 67 2HE LYS 67 -16.929 -0.520 2.118 513 1HZ LYS 67 1HZ LYS 67 -16.661 -2.656 3.028 514 2HZ LYS 67 2HZ LYS 67 -15.518 -1.690 3.816 515 3HZ LYS 67 3HZ LYS 67 -15.030 -2.743 2.587 516 H GLN 68 H GLN 68 -11.691 -0.978 -2.190 517 HA GLN 68 HA GLN 68 -12.714 -2.801 -4.083 518 1HB GLN 68 1HB GLN 68 -10.639 -0.626 -4.401 519 2HB GLN 68 2HB GLN 68 -11.401 -1.492 -5.721 520 1HG GLN 68 1HG GLN 68 -13.136 -0.141 -5.712 521 2HG GLN 68 2HG GLN 68 -13.399 -0.407 -3.986 522 1HE2 GLN 68 1HE2 GLN 68 -13.757 1.583 -3.237 523 2HE2 GLN 68 2HE2 GLN 68 -12.683 2.924 -3.421 524 H ILE 69 H ILE 69 -9.483 -2.272 -2.785 525 HA ILE 69 HA ILE 69 -8.030 -3.932 -4.462 526 HB ILE 69 HB ILE 69 -7.541 -3.323 -1.550 527 1HG1 ILE 69 1HG1 ILE 69 -6.184 -2.009 -3.882 528 2HG1 ILE 69 2HG1 ILE 69 -7.760 -1.440 -3.343 529 1HG2 ILE 69 1HG2 ILE 69 -5.935 -4.890 -1.752 530 2HG2 ILE 69 2HG2 ILE 69 -5.081 -3.639 -2.658 531 3HG2 ILE 69 3HG2 ILE 69 -6.007 -4.866 -3.518 532 1HD1 ILE 69 1HD1 ILE 69 -6.102 -1.686 -1.062 533 2HD1 ILE 69 2HD1 ILE 69 -6.767 -0.224 -1.789 534 3HD1 ILE 69 3HD1 ILE 69 -5.195 -0.830 -2.307 535 H LYS 70 H LYS 70 -9.505 -4.707 -1.365 536 HA LYS 70 HA LYS 70 -8.759 -7.421 -1.340 537 1HB LYS 70 1HB LYS 70 -10.371 -7.671 0.478 538 2HB LYS 70 2HB LYS 70 -9.379 -6.235 0.680 539 1HG LYS 70 1HG LYS 70 -11.228 -5.052 0.930 540 2HG LYS 70 2HG LYS 70 -11.619 -5.401 -0.753 541 1HD LYS 70 1HD LYS 70 -13.009 -7.181 -0.194 542 2HD LYS 70 2HD LYS 70 -12.287 -7.364 1.406 543 1HE LYS 70 1HE LYS 70 -13.856 -6.055 2.276 544 2HE LYS 70 2HE LYS 70 -13.371 -4.741 1.208 545 1HZ LYS 70 1HZ LYS 70 -14.901 -5.443 -0.428 546 2HZ LYS 70 2HZ LYS 70 -15.749 -5.446 1.036 547 3HZ LYS 70 3HZ LYS 70 -15.214 -6.903 0.369 548 H GLN 71 H GLN 71 -11.330 -5.795 -2.941 549 HA GLN 71 HA GLN 71 -13.061 -8.006 -3.231 550 1HB GLN 71 1HB GLN 71 -12.881 -5.299 -4.266 551 2HB GLN 71 2HB GLN 71 -13.466 -6.429 -5.477 552 1HG GLN 71 1HG GLN 71 -15.394 -6.860 -4.352 553 2HG GLN 71 2HG GLN 71 -14.673 -6.552 -2.772 554 1HE2 GLN 71 1HE2 GLN 71 -13.794 -4.135 -2.736 555 2HE2 GLN 71 2HE2 GLN 71 -14.993 -2.963 -3.152 556 H ARG 72 H ARG 72 -10.123 -7.115 -4.780 557 HA ARG 72 HA ARG 72 -10.564 -9.115 -6.884 558 1HB ARG 72 1HB ARG 72 -8.541 -6.881 -6.750 559 2HB ARG 72 2HB ARG 72 -8.708 -8.017 -8.081 560 1HG ARG 72 1HG ARG 72 -11.225 -6.740 -7.467 561 2HG ARG 72 2HG ARG 72 -9.961 -5.559 -7.813 562 1HD ARG 72 1HD ARG 72 -9.435 -7.082 -9.839 563 2HD ARG 72 2HD ARG 72 -11.051 -7.731 -9.558 564 HE ARG 72 HE ARG 72 -10.841 -4.843 -9.778 565 1HH1 ARG 72 1HH1 ARG 72 -11.550 -7.865 -11.380 566 2HH1 ARG 72 2HH1 ARG 72 -12.464 -7.120 -12.646 567 1HH2 ARG 72 1HH2 ARG 72 -12.038 -3.866 -11.445 568 2HH2 ARG 72 2HH2 ARG 72 -12.740 -4.849 -12.685 569 H HIS 73 H HIS 73 -8.670 -8.519 -4.065 570 HA HIS 73 HA HIS 73 -6.873 -10.740 -4.811 571 1HB HIS 73 1HB HIS 73 -5.209 -9.823 -3.369 572 2HB HIS 73 2HB HIS 73 -5.842 -8.485 -4.321 573 HD1 HIS 73 HD1 HIS 73 -6.690 -10.021 -0.919 574 HD2 HIS 73 HD2 HIS 73 -6.317 -6.369 -2.809 575 HE1 HIS 73 HE1 HIS 73 -7.119 -8.308 0.869 576 HE2 HIS 73 HE2 HIS 73 -6.756 -6.090 -0.274 577 HA PRO 74 HA PRO 74 -8.289 -13.010 -1.278 578 1HB PRO 74 1HB PRO 74 -6.176 -14.583 -0.775 579 2HB PRO 74 2HB PRO 74 -7.093 -14.721 -2.279 580 1HG PRO 74 1HG PRO 74 -4.423 -13.535 -1.798 581 2HG PRO 74 2HG PRO 74 -5.062 -14.312 -3.254 582 1HD PRO 74 1HD PRO 74 -4.861 -11.532 -2.740 583 2HD PRO 74 2HD PRO 74 -5.668 -12.308 -4.114 584 H MET 75 H MET 75 -4.943 -11.812 -0.780 585 HA MET 75 HA MET 75 -5.689 -10.593 1.709 586 1HB MET 75 1HB MET 75 -4.109 -13.115 1.629 587 2HB MET 75 2HB MET 75 -3.668 -11.895 2.814 588 1HG MET 75 1HG MET 75 -6.377 -12.041 3.127 589 2HG MET 75 2HG MET 75 -5.950 -13.707 2.742 590 1HE MET 75 1HE MET 75 -6.050 -14.522 6.336 591 2HE MET 75 2HE MET 75 -6.803 -14.579 4.742 592 3HE MET 75 3HE MET 75 -7.150 -13.239 5.835 593 H LEU 76 H LEU 76 -4.845 -9.177 -0.360 594 HA LEU 76 HA LEU 76 -2.019 -8.891 -0.484 595 1HB LEU 76 1HB LEU 76 -3.923 -8.303 -2.221 596 2HB LEU 76 2HB LEU 76 -3.883 -6.751 -1.400 597 HG LEU 76 HG LEU 76 -2.489 -7.019 -3.519 598 1HD1 LEU 76 1HD1 LEU 76 -2.285 -5.407 -1.368 599 2HD1 LEU 76 2HD1 LEU 76 -1.289 -5.259 -2.818 600 3HD1 LEU 76 3HD1 LEU 76 -0.667 -6.111 -1.404 601 1HD2 LEU 76 1HD2 LEU 76 -1.555 -9.243 -2.388 602 2HD2 LEU 76 2HD2 LEU 76 -0.336 -8.106 -1.810 603 3HD2 LEU 76 3HD2 LEU 76 -0.616 -8.295 -3.539 604 HA PRO 77 HA PRO 77 -1.972 -6.379 3.268 605 1HB PRO 77 1HB PRO 77 0.731 -6.011 3.303 606 2HB PRO 77 2HB PRO 77 -0.060 -7.468 3.914 607 1HG PRO 77 1HG PRO 77 1.280 -7.001 1.282 608 2HG PRO 77 2HG PRO 77 1.352 -8.423 2.338 609 1HD PRO 77 1HD PRO 77 -0.206 -8.334 0.135 610 2HD PRO 77 2HD PRO 77 -0.670 -9.240 1.588 611 H VAL 78 H VAL 78 -2.679 -4.356 3.006 612 HA VAL 78 HA VAL 78 -1.257 -2.588 1.137 613 HB VAL 78 HB VAL 78 -3.932 -1.905 2.303 614 1HG1 VAL 78 1HG1 VAL 78 -2.986 -0.112 1.150 615 2HG1 VAL 78 2HG1 VAL 78 -4.095 -0.830 -0.017 616 3HG1 VAL 78 3HG1 VAL 78 -2.364 -1.144 -0.137 617 1HG2 VAL 78 1HG2 VAL 78 -4.742 -3.818 1.404 618 2HG2 VAL 78 2HG2 VAL 78 -3.358 -4.028 0.332 619 3HG2 VAL 78 3HG2 VAL 78 -4.645 -2.902 -0.100 620 H ILE 79 H ILE 79 -0.810 -0.450 1.763 621 HA ILE 79 HA ILE 79 -0.969 0.132 4.635 622 HB ILE 79 HB ILE 79 1.505 0.718 3.031 623 1HG1 ILE 79 1HG1 ILE 79 1.682 -1.363 5.100 624 2HG1 ILE 79 2HG1 ILE 79 0.764 -1.830 3.678 625 1HG2 ILE 79 1HG2 ILE 79 1.852 0.477 5.873 626 2HG2 ILE 79 2HG2 ILE 79 0.559 1.618 5.506 627 3HG2 ILE 79 3HG2 ILE 79 2.163 1.856 4.820 628 1HD1 ILE 79 1HD1 ILE 79 2.666 -1.273 2.265 629 2HD1 ILE 79 2HD1 ILE 79 3.089 -2.478 3.477 630 3HD1 ILE 79 3HD1 ILE 79 3.588 -0.801 3.691 631 H ILE 80 H ILE 80 -2.012 2.012 4.853 632 HA ILE 80 HA ILE 80 -2.015 3.844 2.590 633 HB ILE 80 HB ILE 80 -3.621 4.165 5.115 634 1HG1 ILE 80 1HG1 ILE 80 -4.153 1.972 4.257 635 2HG1 ILE 80 2HG1 ILE 80 -5.473 3.062 3.846 636 1HG2 ILE 80 1HG2 ILE 80 -3.270 5.965 3.202 637 2HG2 ILE 80 2HG2 ILE 80 -4.820 5.759 4.014 638 3HG2 ILE 80 3HG2 ILE 80 -4.549 5.029 2.433 639 1HD1 ILE 80 1HD1 ILE 80 -3.267 2.407 1.925 640 2HD1 ILE 80 2HD1 ILE 80 -4.827 3.157 1.589 641 3HD1 ILE 80 3HD1 ILE 80 -4.748 1.459 2.051 642 H MET 81 H MET 81 -1.422 5.944 2.637 643 HA MET 81 HA MET 81 0.706 6.608 4.451 644 1HB MET 81 1HB MET 81 0.356 8.903 3.054 645 2HB MET 81 2HB MET 81 1.328 7.547 2.506 646 1HG MET 81 1HG MET 81 -1.573 7.667 1.819 647 2HG MET 81 2HG MET 81 -0.415 8.644 0.924 648 1HE MET 81 1HE MET 81 1.771 6.462 -0.931 649 2HE MET 81 2HE MET 81 2.218 6.004 0.703 650 3HE MET 81 3HE MET 81 1.825 7.680 0.342 651 H THR 82 H THR 82 -2.665 7.163 4.486 652 HA THR 82 HA THR 82 -2.340 8.841 6.836 653 HB THR 82 HB THR 82 -4.297 9.756 4.741 654 HG1 THR 82 HG1 THR 82 -2.571 10.213 3.603 655 1HG2 THR 82 1HG2 THR 82 -3.119 10.928 7.207 656 2HG2 THR 82 2HG2 THR 82 -4.799 10.881 6.672 657 3HG2 THR 82 3HG2 THR 82 -3.657 11.980 5.898 658 H ALA 83 H ALA 83 -4.580 9.190 7.905 659 HA ALA 83 HA ALA 83 -6.452 7.036 7.269 660 1HB ALA 83 1HB ALA 83 -6.141 5.803 9.106 661 2HB ALA 83 2HB ALA 83 -5.937 7.217 10.140 662 3HB ALA 83 3HB ALA 83 -4.575 6.611 9.197 663 H HIS 84 H HIS 84 -6.802 9.778 6.870 664 HA HIS 84 HA HIS 84 -8.125 11.062 9.018 665 1HB HIS 84 1HB HIS 84 -8.253 11.571 6.044 666 2HB HIS 84 2HB HIS 84 -8.927 12.640 7.269 667 HD1 HIS 84 HD1 HIS 84 -6.481 12.402 9.257 668 HD2 HIS 84 HD2 HIS 84 -6.255 13.273 5.201 669 HE1 HIS 84 HE1 HIS 84 -4.295 13.601 8.948 670 HE2 HIS 84 HE2 HIS 84 -4.165 14.097 6.481 671 H SER 85 H SER 85 -9.965 10.444 9.901 672 HA SER 85 HA SER 85 -12.033 9.534 10.203 673 1HB SER 85 1HB SER 85 -12.796 10.624 7.514 674 2HB SER 85 2HB SER 85 -13.723 10.610 9.014 675 HG SER 85 HG SER 85 -12.937 12.687 8.593 676 H ASP 86 H ASP 86 -13.951 8.402 8.851 677 HA ASP 86 HA ASP 86 -14.615 6.403 7.987 678 1HB ASP 86 1HB ASP 86 -12.474 7.104 5.969 679 2HB ASP 86 2HB ASP 86 -13.717 5.877 5.737 680 H LEU 87 H LEU 87 -12.380 6.413 9.944 681 HA LEU 87 HA LEU 87 -10.408 4.548 9.367 682 1HB LEU 87 1HB LEU 87 -11.027 6.070 11.503 683 2HB LEU 87 2HB LEU 87 -11.541 4.502 12.097 684 HG LEU 87 HG LEU 87 -9.224 5.116 12.748 685 1HD1 LEU 87 1HD1 LEU 87 -8.279 2.964 12.323 686 2HD1 LEU 87 2HD1 LEU 87 -9.325 2.725 10.927 687 3HD1 LEU 87 3HD1 LEU 87 -10.016 2.762 12.547 688 1HD2 LEU 87 1HD2 LEU 87 -8.929 6.108 10.278 689 2HD2 LEU 87 2HD2 LEU 87 -8.221 4.511 10.034 690 3HD2 LEU 87 3HD2 LEU 87 -7.570 5.583 11.274 691 H ASP 88 H ASP 88 -13.766 4.066 9.913 692 HA ASP 88 HA ASP 88 -13.954 1.533 10.949 693 1HB ASP 88 1HB ASP 88 -15.614 3.087 9.020 694 2HB ASP 88 2HB ASP 88 -15.970 1.375 9.224 695 H ALA 89 H ALA 89 -13.351 2.406 7.557 696 HA ALA 89 HA ALA 89 -13.371 -0.265 6.622 697 1HB ALA 89 1HB ALA 89 -12.452 2.322 5.445 698 2HB ALA 89 2HB ALA 89 -13.803 1.295 4.965 699 3HB ALA 89 3HB ALA 89 -12.148 0.793 4.618 700 H ALA 90 H ALA 90 -10.960 1.661 8.161 701 HA ALA 90 HA ALA 90 -8.657 0.337 7.199 702 1HB ALA 90 1HB ALA 90 -9.060 2.494 8.807 703 2HB ALA 90 2HB ALA 90 -7.506 1.693 8.572 704 3HB ALA 90 3HB ALA 90 -8.505 1.288 9.966 705 H VAL 91 H VAL 91 -10.826 -0.285 9.917 706 HA VAL 91 HA VAL 91 -9.277 -2.413 10.987 707 HB VAL 91 HB VAL 91 -12.249 -2.118 11.361 708 1HG1 VAL 91 1HG1 VAL 91 -11.787 -4.006 12.502 709 2HG1 VAL 91 2HG1 VAL 91 -11.184 -2.894 13.731 710 3HG1 VAL 91 3HG1 VAL 91 -10.059 -3.650 12.596 711 1HG2 VAL 91 1HG2 VAL 91 -11.766 -0.675 13.280 712 2HG2 VAL 91 2HG2 VAL 91 -11.210 0.062 11.778 713 3HG2 VAL 91 3HG2 VAL 91 -10.051 -0.695 12.870 714 H SER 92 H SER 92 -12.085 -2.260 8.838 715 HA SER 92 HA SER 92 -12.416 -5.039 8.523 716 1HB SER 92 1HB SER 92 -13.089 -2.792 6.601 717 2HB SER 92 2HB SER 92 -13.681 -4.449 6.475 718 HG SER 92 HG SER 92 -14.787 -4.166 8.406 719 H ALA 93 H ALA 93 -10.248 -2.712 7.143 720 HA ALA 93 HA ALA 93 -9.389 -4.135 4.892 721 1HB ALA 93 1HB ALA 93 -8.264 -1.930 6.531 722 2HB ALA 93 2HB ALA 93 -8.718 -1.945 4.827 723 3HB ALA 93 3HB ALA 93 -7.227 -2.727 5.351 724 H TYR 94 H TYR 94 -8.294 -4.120 8.217 725 HA TYR 94 HA TYR 94 -6.060 -5.796 7.893 726 1HB TYR 94 1HB TYR 94 -7.815 -5.696 10.351 727 2HB TYR 94 2HB TYR 94 -6.104 -6.098 10.269 728 HD1 TYR 94 HD1 TYR 94 -5.103 -3.908 8.538 729 HD2 TYR 94 HD2 TYR 94 -7.892 -3.833 11.759 730 HE1 TYR 94 HE1 TYR 94 -4.524 -1.558 8.977 731 HE2 TYR 94 HE2 TYR 94 -7.314 -1.485 12.203 732 HH TYR 94 HH TYR 94 -6.366 0.448 10.969 733 H GLN 95 H GLN 95 -9.424 -6.409 7.852 734 HA GLN 95 HA GLN 95 -9.336 -9.171 8.556 735 1HB GLN 95 1HB GLN 95 -11.576 -9.013 8.538 736 2HB GLN 95 2HB GLN 95 -11.329 -7.295 8.277 737 1HG GLN 95 1HG GLN 95 -11.259 -8.151 5.730 738 2HG GLN 95 2HG GLN 95 -12.310 -9.378 6.432 739 1HE2 GLN 95 1HE2 GLN 95 -12.533 -6.843 4.645 740 2HE2 GLN 95 2HE2 GLN 95 -13.943 -6.064 5.272 741 H GLN 96 H GLN 96 -9.364 -7.395 5.492 742 HA GLN 96 HA GLN 96 -9.384 -9.786 3.937 743 1HB GLN 96 1HB GLN 96 -9.213 -8.362 2.003 744 2HB GLN 96 2HB GLN 96 -10.387 -7.686 3.123 745 1HG GLN 96 1HG GLN 96 -7.981 -6.483 3.813 746 2HG GLN 96 2HG GLN 96 -7.974 -6.531 2.054 747 1HE2 GLN 96 1HE2 GLN 96 -8.262 -4.342 1.779 748 2HE2 GLN 96 2HE2 GLN 96 -9.736 -3.530 2.173 749 H GLY 97 H GLY 97 -6.926 -7.991 5.510 750 1HA GLY 97 1HA GLY 97 -4.843 -9.425 5.593 751 2HA GLY 97 2HA GLY 97 -4.897 -9.343 3.843 752 H ALA 98 H ALA 98 -5.877 -6.376 5.069 753 HA ALA 98 HA ALA 98 -3.721 -4.978 4.040 754 1HB ALA 98 1HB ALA 98 -4.860 -3.141 4.614 755 2HB ALA 98 2HB ALA 98 -5.019 -3.644 6.297 756 3HB ALA 98 3HB ALA 98 -6.124 -4.276 5.078 757 H PHE 99 H PHE 99 -1.979 -3.816 5.040 758 HA PHE 99 HA PHE 99 -0.777 -5.330 7.173 759 1HB PHE 99 1HB PHE 99 0.569 -4.656 5.226 760 2HB PHE 99 2HB PHE 99 0.318 -2.964 5.651 761 HD1 PHE 99 HD1 PHE 99 1.343 -6.061 7.467 762 HD2 PHE 99 HD2 PHE 99 2.157 -1.976 6.607 763 HE1 PHE 99 HE1 PHE 99 3.315 -6.146 8.935 764 HE2 PHE 99 HE2 PHE 99 4.131 -2.055 8.065 765 HZ PHE 99 HZ PHE 99 4.713 -4.142 9.234 766 H ASP 100 H ASP 100 -1.511 -1.868 6.639 767 HA ASP 100 HA ASP 100 -2.556 -1.385 9.157 768 1HB ASP 100 1HB ASP 100 0.250 -1.789 9.272 769 2HB ASP 100 2HB ASP 100 -0.039 -0.076 9.559 770 H TYR 101 H TYR 101 -1.548 1.137 9.778 771 HA TYR 101 HA TYR 101 -1.964 2.699 7.326 772 1HB TYR 101 1HB TYR 101 -3.600 2.689 9.789 773 2HB TYR 101 2HB TYR 101 -3.174 4.285 9.178 774 HD1 TYR 101 HD1 TYR 101 -4.673 1.045 8.103 775 HD2 TYR 101 HD2 TYR 101 -4.398 5.238 7.457 776 HE1 TYR 101 HE1 TYR 101 -6.456 0.896 6.421 777 HE2 TYR 101 HE2 TYR 101 -6.191 5.103 5.780 778 HH TYR 101 HH TYR 101 -7.950 2.112 5.204 779 H LEU 102 H LEU 102 -0.385 4.086 7.016 780 HA LEU 102 HA LEU 102 1.321 4.858 9.280 781 1HB LEU 102 1HB LEU 102 2.502 3.769 7.502 782 2HB LEU 102 2HB LEU 102 1.778 4.809 6.299 783 HG LEU 102 HG LEU 102 3.035 6.688 7.715 784 1HD1 LEU 102 1HD1 LEU 102 3.848 4.659 9.191 785 2HD1 LEU 102 2HD1 LEU 102 4.902 6.029 8.847 786 3HD1 LEU 102 3HD1 LEU 102 5.071 4.535 7.927 787 1HD2 LEU 102 1HD2 LEU 102 4.673 5.013 5.839 788 2HD2 LEU 102 2HD2 LEU 102 4.613 6.767 6.003 789 3HD2 LEU 102 3HD2 LEU 102 3.265 5.907 5.262 790 HA PRO 103 HA PRO 103 -0.269 9.002 9.241 791 1HB PRO 103 1HB PRO 103 2.061 10.326 9.942 792 2HB PRO 103 2HB PRO 103 0.953 9.566 11.082 793 1HG PRO 103 1HG PRO 103 3.509 8.524 9.941 794 2HG PRO 103 2HG PRO 103 2.878 8.385 11.592 795 1HD PRO 103 1HD PRO 103 2.747 6.335 9.877 796 2HD PRO 103 2HD PRO 103 1.438 6.655 11.032 797 H LYS 104 H LYS 104 0.226 11.177 8.212 798 HA LYS 104 HA LYS 104 0.461 11.013 5.513 799 1HB LYS 104 1HB LYS 104 -0.258 13.041 6.762 800 2HB LYS 104 2HB LYS 104 1.436 13.393 7.089 801 1HG LYS 104 1HG LYS 104 0.543 14.690 5.199 802 2HG LYS 104 2HG LYS 104 1.884 13.646 4.730 803 1HD LYS 104 1HD LYS 104 -0.550 12.191 4.418 804 2HD LYS 104 2HD LYS 104 -0.733 13.759 3.636 805 1HE LYS 104 1HE LYS 104 1.030 13.367 2.160 806 2HE LYS 104 2HE LYS 104 1.721 12.099 3.170 807 1HZ LYS 104 1HZ LYS 104 -0.812 11.903 1.634 808 2HZ LYS 104 2HZ LYS 104 -0.165 10.685 2.607 809 3HZ LYS 104 3HZ LYS 104 0.653 11.164 1.201 810 HA PRO 105 HA PRO 105 5.309 12.113 5.928 811 1HB PRO 105 1HB PRO 105 6.213 10.245 7.867 812 2HB PRO 105 2HB PRO 105 6.257 12.004 7.987 813 1HG PRO 105 1HG PRO 105 4.289 10.080 9.097 814 2HG PRO 105 2HG PRO 105 4.814 11.647 9.735 815 1HD PRO 105 1HD PRO 105 2.417 11.359 8.600 816 2HD PRO 105 2HD PRO 105 3.368 12.832 8.351 817 H PHE 106 H PHE 106 6.962 10.603 5.065 818 HA PHE 106 HA PHE 106 6.286 7.855 4.706 819 1HB PHE 106 1HB PHE 106 4.852 9.502 3.101 820 2HB PHE 106 2HB PHE 106 6.249 9.219 2.080 821 HD1 PHE 106 HD1 PHE 106 3.618 7.457 4.019 822 HD2 PHE 106 HD2 PHE 106 6.417 7.293 0.815 823 HE1 PHE 106 HE1 PHE 106 2.651 5.322 3.286 824 HE2 PHE 106 HE2 PHE 106 5.447 5.157 0.082 825 HZ PHE 106 HZ PHE 106 3.568 4.177 1.307 826 H ASP 107 H ASP 107 7.767 9.806 2.158 827 HA ASP 107 HA ASP 107 9.817 9.550 1.181 828 1HB ASP 107 1HB ASP 107 11.577 10.449 2.479 829 2HB ASP 107 2HB ASP 107 10.112 11.194 3.107 830 H ILE 108 H ILE 108 12.180 8.485 1.776 831 HA ILE 108 HA ILE 108 11.676 5.714 1.616 832 HB ILE 108 HB ILE 108 14.043 7.427 1.491 833 1HG1 ILE 108 1HG1 ILE 108 14.447 6.263 -0.536 834 2HG1 ILE 108 2HG1 ILE 108 13.394 4.937 -0.052 835 1HG2 ILE 108 1HG2 ILE 108 14.372 4.500 2.096 836 2HG2 ILE 108 2HG2 ILE 108 14.775 5.816 3.197 837 3HG2 ILE 108 3HG2 ILE 108 15.656 5.630 1.682 838 1HD1 ILE 108 1HD1 ILE 108 11.471 6.498 -0.169 839 2HD1 ILE 108 2HD1 ILE 108 12.282 6.245 -1.707 840 3HD1 ILE 108 3HD1 ILE 108 12.562 7.727 -0.804 841 H ASP 109 H ASP 109 13.104 7.693 4.116 842 HA ASP 109 HA ASP 109 13.789 5.716 5.912 843 1HB ASP 109 1HB ASP 109 12.763 8.493 6.531 844 2HB ASP 109 2HB ASP 109 13.630 7.455 7.657 845 H GLU 110 H GLU 110 10.707 7.552 5.888 846 HA GLU 110 HA GLU 110 9.590 5.884 7.892 847 1HB GLU 110 1HB GLU 110 8.127 7.855 6.146 848 2HB GLU 110 2HB GLU 110 7.618 7.237 7.708 849 1HG GLU 110 1HG GLU 110 10.217 8.643 7.587 850 2HG GLU 110 2HG GLU 110 8.755 9.612 7.393 851 H ALA 111 H ALA 111 9.478 5.872 4.392 852 HA ALA 111 HA ALA 111 7.247 4.035 4.369 853 1HB ALA 111 1HB ALA 111 7.490 4.030 1.951 854 2HB ALA 111 2HB ALA 111 8.972 4.974 2.091 855 3HB ALA 111 3HB ALA 111 7.428 5.672 2.591 856 H VAL 112 H VAL 112 10.657 3.846 3.268 857 HA VAL 112 HA VAL 112 10.672 1.108 2.786 858 HB VAL 112 HB VAL 112 12.997 2.683 3.888 859 1HG1 VAL 112 1HG1 VAL 112 14.221 0.843 3.612 860 2HG1 VAL 112 2HG1 VAL 112 13.595 0.594 1.981 861 3HG1 VAL 112 3HG1 VAL 112 12.710 -0.037 3.373 862 1HG2 VAL 112 1HG2 VAL 112 12.578 3.910 2.016 863 2HG2 VAL 112 2HG2 VAL 112 11.747 2.587 1.199 864 3HG2 VAL 112 3HG2 VAL 112 13.509 2.607 1.280 865 H ALA 113 H ALA 113 10.909 2.893 5.742 866 HA ALA 113 HA ALA 113 11.845 0.902 7.476 867 1HB ALA 113 1HB ALA 113 11.781 2.806 8.675 868 2HB ALA 113 2HB ALA 113 10.108 2.359 9.011 869 3HB ALA 113 3HB ALA 113 10.472 3.477 7.699 870 H LEU 114 H LEU 114 8.547 1.955 6.781 871 HA LEU 114 HA LEU 114 7.320 -0.167 8.199 872 1HB LEU 114 1HB LEU 114 6.338 2.083 7.836 873 2HB LEU 114 2HB LEU 114 6.120 1.675 6.144 874 HG LEU 114 HG LEU 114 4.594 -0.170 6.827 875 1HD1 LEU 114 1HD1 LEU 114 5.152 0.951 9.556 876 2HD1 LEU 114 2HD1 LEU 114 5.241 -0.724 9.014 877 3HD1 LEU 114 3HD1 LEU 114 3.671 0.063 9.193 878 1HD2 LEU 114 1HD2 LEU 114 2.772 1.393 7.664 879 2HD2 LEU 114 2HD2 LEU 114 3.552 1.813 6.139 880 3HD2 LEU 114 3HD2 LEU 114 3.999 2.658 7.618 881 H VAL 115 H VAL 115 8.529 0.076 4.965 882 HA VAL 115 HA VAL 115 6.761 -1.927 3.929 883 HB VAL 115 HB VAL 115 7.909 -0.080 2.561 884 1HG1 VAL 115 1HG1 VAL 115 10.214 -0.737 3.333 885 2HG1 VAL 115 2HG1 VAL 115 10.018 -0.527 1.597 886 3HG1 VAL 115 3HG1 VAL 115 10.075 -2.148 2.289 887 1HG2 VAL 115 1HG2 VAL 115 6.802 -1.266 1.043 888 2HG2 VAL 115 2HG2 VAL 115 7.098 -2.772 1.911 889 3HG2 VAL 115 3HG2 VAL 115 8.292 -2.167 0.764 890 H GLU 116 H GLU 116 10.199 -1.898 4.858 891 HA GLU 116 HA GLU 116 10.626 -4.633 4.243 892 1HB GLU 116 1HB GLU 116 12.104 -2.690 6.014 893 2HB GLU 116 2HB GLU 116 12.626 -4.355 5.797 894 1HG GLU 116 1HG GLU 116 12.611 -3.846 3.293 895 2HG GLU 116 2HG GLU 116 12.515 -2.151 3.773 896 H ARG 117 H ARG 117 9.610 -2.926 7.150 897 HA ARG 117 HA ARG 117 9.751 -5.117 8.916 898 1HB ARG 117 1HB ARG 117 8.128 -2.579 8.958 899 2HB ARG 117 2HB ARG 117 8.070 -3.759 10.259 900 1HG ARG 117 1HG ARG 117 10.478 -3.468 10.618 901 2HG ARG 117 2HG ARG 117 10.510 -2.258 9.332 902 1HD ARG 117 1HD ARG 117 9.355 -0.708 10.585 903 2HD ARG 117 2HD ARG 117 8.587 -1.934 11.588 904 HE ARG 117 HE ARG 117 10.626 -2.143 12.817 905 1HH1 ARG 117 1HH1 ARG 117 10.583 0.533 10.561 906 2HH1 ARG 117 2HH1 ARG 117 11.858 1.383 11.362 907 1HH2 ARG 117 1HH2 ARG 117 12.302 -1.019 13.859 908 2HH2 ARG 117 2HH2 ARG 117 12.835 0.504 13.230 909 H ALA 118 H ALA 118 7.501 -4.204 6.483 910 HA ALA 118 HA ALA 118 5.289 -5.709 7.453 911 1HB ALA 118 1HB ALA 118 5.722 -4.829 4.615 912 2HB ALA 118 2HB ALA 118 5.176 -3.733 5.883 913 3HB ALA 118 3HB ALA 118 4.194 -5.130 5.441 914 H ILE 119 H ILE 119 7.612 -6.213 4.798 915 HA ILE 119 HA ILE 119 6.701 -8.755 4.057 916 HB ILE 119 HB ILE 119 9.537 -7.755 3.850 917 1HG1 ILE 119 1HG1 ILE 119 7.705 -7.527 1.538 918 2HG1 ILE 119 2HG1 ILE 119 7.406 -6.410 2.865 919 1HG2 ILE 119 1HG2 ILE 119 9.539 -9.206 1.810 920 2HG2 ILE 119 2HG2 ILE 119 7.990 -9.854 2.352 921 3HG2 ILE 119 3HG2 ILE 119 9.432 -10.073 3.343 922 1HD1 ILE 119 1HD1 ILE 119 8.907 -5.564 1.052 923 2HD1 ILE 119 2HD1 ILE 119 10.094 -6.759 1.582 924 3HD1 ILE 119 3HD1 ILE 119 9.574 -5.483 2.685 925 H SER 120 H SER 120 8.841 -7.689 6.566 926 HA SER 120 HA SER 120 9.952 -10.220 7.202 927 1HB SER 120 1HB SER 120 9.861 -7.545 8.536 928 2HB SER 120 2HB SER 120 10.363 -8.950 9.477 929 HG SER 120 HG SER 120 11.892 -9.334 7.698 930 H HIS 121 H HIS 121 7.248 -8.329 8.484 931 HA HIS 121 HA HIS 121 6.570 -10.294 10.461 932 1HB HIS 121 1HB HIS 121 5.360 -7.727 9.514 933 2HB HIS 121 2HB HIS 121 4.386 -8.828 10.484 934 HD1 HIS 121 HD1 HIS 121 7.464 -6.675 10.677 935 HD2 HIS 121 HD2 HIS 121 4.999 -8.891 13.184 936 HE1 HIS 121 HE1 HIS 121 8.157 -6.061 13.014 937 HE2 HIS 121 HE2 HIS 121 6.611 -7.367 14.516 938 H TYR 122 H TYR 122 5.678 -9.617 7.188 939 HA TYR 122 HA TYR 122 3.323 -11.224 7.169 940 1HB TYR 122 1HB TYR 122 4.021 -9.281 5.568 941 2HB TYR 122 2HB TYR 122 4.869 -10.551 4.690 942 HD1 TYR 122 HD1 TYR 122 3.684 -10.995 2.752 943 HD2 TYR 122 HD2 TYR 122 1.547 -10.511 6.399 944 HE1 TYR 122 HE1 TYR 122 1.594 -11.595 1.601 945 HE2 TYR 122 HE2 TYR 122 -0.547 -11.111 5.259 946 HH TYR 122 HH TYR 122 -1.338 -10.948 2.658 947 H GLN 123 H GLN 123 6.550 -11.640 5.712 948 HA GLN 123 HA GLN 123 7.729 -13.493 5.124 949 1HB GLN 123 1HB GLN 123 7.270 -13.892 7.632 950 2HB GLN 123 2HB GLN 123 6.075 -15.061 7.090 951 1HG GLN 123 1HG GLN 123 7.638 -16.531 6.345 952 2HG GLN 123 2HG GLN 123 8.810 -15.269 5.971 953 1HE2 GLN 123 1HE2 GLN 123 7.317 -17.078 8.587 954 2HE2 GLN 123 2HE2 GLN 123 8.622 -16.901 9.705 955 H GLU 124 H GLU 124 7.479 -15.841 4.339 956 HA GLU 124 HA GLU 124 5.119 -15.924 2.610 957 1HB GLU 124 1HB GLU 124 6.487 -17.756 1.448 958 2HB GLU 124 2HB GLU 124 7.063 -16.102 1.310 959 1HG GLU 124 1HG GLU 124 8.949 -16.523 2.449 960 2HG GLU 124 2HG GLU 124 8.144 -17.605 3.585 Start of MODEL 24 1 1H MET 1 1H MET 1 12.103 -16.307 2.742 2 2H MET 1 2H MET 1 10.864 -17.403 2.288 3 3H MET 1 3H MET 1 10.616 -15.711 2.134 4 HA MET 1 HA MET 1 12.795 -15.983 0.696 5 1HB MET 1 1HB MET 1 11.182 -18.505 0.257 6 2HB MET 1 2HB MET 1 12.611 -18.011 -0.638 7 1HG MET 1 1HG MET 1 12.861 -18.293 2.300 8 2HG MET 1 2HG MET 1 12.708 -19.765 1.341 9 1HE MET 1 1HE MET 1 16.448 -19.598 2.264 10 2HE MET 1 2HE MET 1 14.845 -19.797 2.972 11 3HE MET 1 3HE MET 1 15.662 -18.237 3.062 12 H GLN 2 H GLN 2 12.018 -14.229 -0.342 13 HA GLN 2 HA GLN 2 9.946 -14.657 -2.324 14 1HB GLN 2 1HB GLN 2 9.642 -12.757 -0.017 15 2HB GLN 2 2HB GLN 2 8.862 -12.429 -1.556 16 1HG GLN 2 1HG GLN 2 7.636 -14.506 -1.419 17 2HG GLN 2 2HG GLN 2 8.472 -14.929 0.074 18 1HE2 GLN 2 1HE2 GLN 2 6.601 -12.238 -1.290 19 2HE2 GLN 2 2HE2 GLN 2 5.678 -11.931 0.138 20 H ARG 3 H ARG 3 10.203 -13.400 -4.114 21 HA ARG 3 HA ARG 3 12.673 -12.180 -4.587 22 1HB ARG 3 1HB ARG 3 11.607 -11.288 -6.656 23 2HB ARG 3 2HB ARG 3 11.370 -13.015 -6.425 24 1HG ARG 3 1HG ARG 3 9.162 -11.958 -5.201 25 2HG ARG 3 2HG ARG 3 9.418 -10.853 -6.553 26 1HD ARG 3 1HD ARG 3 8.473 -12.341 -7.905 27 2HD ARG 3 2HD ARG 3 9.792 -13.455 -7.561 28 HE ARG 3 HE ARG 3 8.453 -14.431 -5.832 29 1HH1 ARG 3 1HH1 ARG 3 6.730 -12.183 -7.887 30 2HH1 ARG 3 2HH1 ARG 3 5.176 -12.826 -7.486 31 1HH2 ARG 3 1HH2 ARG 3 6.405 -15.264 -5.312 32 2HH2 ARG 3 2HH2 ARG 3 4.989 -14.566 -6.025 33 H GLY 4 H GLY 4 9.836 -10.958 -3.090 34 1HA GLY 4 1HA GLY 4 9.614 -8.967 -1.910 35 2HA GLY 4 2HA GLY 4 11.164 -8.452 -2.555 36 H ILE 5 H ILE 5 7.798 -8.115 -2.765 37 HA ILE 5 HA ILE 5 8.133 -6.383 -5.125 38 HB ILE 5 HB ILE 5 5.714 -8.114 -4.662 39 1HG1 ILE 5 1HG1 ILE 5 7.033 -8.931 -6.998 40 2HG1 ILE 5 2HG1 ILE 5 8.297 -8.767 -5.783 41 1HG2 ILE 5 1HG2 ILE 5 6.040 -5.830 -6.195 42 2HG2 ILE 5 2HG2 ILE 5 4.753 -7.024 -6.351 43 3HG2 ILE 5 3HG2 ILE 5 6.199 -7.151 -7.352 44 1HD1 ILE 5 1HD1 ILE 5 6.910 -11.001 -6.127 45 2HD1 ILE 5 2HD1 ILE 5 5.844 -10.198 -4.975 46 3HD1 ILE 5 3HD1 ILE 5 7.530 -10.500 -4.554 47 H VAL 6 H VAL 6 7.743 -4.349 -4.490 48 HA VAL 6 HA VAL 6 5.570 -3.885 -2.550 49 HB VAL 6 HB VAL 6 7.860 -3.136 -1.837 50 1HG1 VAL 6 1HG1 VAL 6 7.517 -1.039 -3.970 51 2HG1 VAL 6 2HG1 VAL 6 8.587 -2.432 -4.112 52 3HG1 VAL 6 3HG1 VAL 6 8.870 -1.228 -2.864 53 1HG2 VAL 6 1HG2 VAL 6 6.329 -0.624 -2.099 54 2HG2 VAL 6 2HG2 VAL 6 6.982 -1.409 -0.662 55 3HG2 VAL 6 3HG2 VAL 6 5.474 -1.983 -1.371 56 H TRP 7 H TRP 7 3.805 -2.869 -3.244 57 HA TRP 7 HA TRP 7 3.999 -1.294 -5.723 58 1HB TRP 7 1HB TRP 7 1.871 -3.161 -4.739 59 2HB TRP 7 2HB TRP 7 1.421 -1.808 -5.784 60 HD1 TRP 7 HD1 TRP 7 4.799 -3.250 -6.531 61 HE1 TRP 7 HE1 TRP 7 4.711 -4.598 -8.712 62 HE3 TRP 7 HE3 TRP 7 -0.268 -3.467 -7.136 63 HZ2 TRP 7 HZ2 TRP 7 2.752 -5.647 -10.446 64 HZ3 TRP 7 HZ3 TRP 7 -1.171 -4.671 -9.084 65 HH2 TRP 7 HH2 TRP 7 0.310 -5.740 -10.702 66 H VAL 8 H VAL 8 3.494 0.799 -5.588 67 HA VAL 8 HA VAL 8 2.223 1.725 -3.093 68 HB VAL 8 HB VAL 8 4.054 3.555 -4.536 69 1HG1 VAL 8 1HG1 VAL 8 3.249 4.551 -2.645 70 2HG1 VAL 8 2HG1 VAL 8 4.730 3.833 -2.012 71 3HG1 VAL 8 3HG1 VAL 8 3.182 3.042 -1.743 72 1HG2 VAL 8 1HG2 VAL 8 5.005 1.005 -4.109 73 2HG2 VAL 8 2HG2 VAL 8 5.509 1.859 -2.654 74 3HG2 VAL 8 3HG2 VAL 8 5.989 2.460 -4.239 75 H VAL 9 H VAL 9 0.794 3.416 -3.148 76 HA VAL 9 HA VAL 9 0.180 4.604 -5.756 77 HB VAL 9 HB VAL 9 -2.228 4.227 -4.144 78 1HG1 VAL 9 1HG1 VAL 9 -2.546 3.088 -6.680 79 2HG1 VAL 9 2HG1 VAL 9 -1.400 4.415 -6.896 80 3HG1 VAL 9 3HG1 VAL 9 -2.970 4.722 -6.176 81 1HG2 VAL 9 1HG2 VAL 9 -1.422 2.112 -3.523 82 2HG2 VAL 9 2HG2 VAL 9 -0.725 1.813 -5.110 83 3HG2 VAL 9 3HG2 VAL 9 -2.477 1.819 -4.896 84 H ASP 10 H ASP 10 0.731 6.654 -5.423 85 HA ASP 10 HA ASP 10 -0.752 8.495 -4.066 86 1HB ASP 10 1HB ASP 10 0.026 7.262 -1.990 87 2HB ASP 10 2HB ASP 10 1.647 7.840 -2.352 88 H ASP 11 H ASP 11 -0.255 10.276 -5.118 89 HA ASP 11 HA ASP 11 0.876 11.981 -6.086 90 1HB ASP 11 1HB ASP 11 2.605 11.098 -4.059 91 2HB ASP 11 2HB ASP 11 3.610 11.291 -5.492 92 H ASP 12 H ASP 12 2.151 8.735 -6.558 93 HA ASP 12 HA ASP 12 2.729 7.639 -8.460 94 1HB ASP 12 1HB ASP 12 0.896 9.227 -9.425 95 2HB ASP 12 2HB ASP 12 2.257 10.104 -10.114 96 H SER 13 H SER 13 3.947 9.531 -10.714 97 HA SER 13 HA SER 13 6.461 9.034 -10.838 98 1HB SER 13 1HB SER 13 5.458 10.740 -12.247 99 2HB SER 13 2HB SER 13 5.460 11.876 -10.898 100 HG SER 13 HG SER 13 7.726 11.811 -10.919 101 H SER 14 H SER 14 5.537 11.676 -8.692 102 HA SER 14 HA SER 14 8.007 12.189 -7.569 103 1HB SER 14 1HB SER 14 5.214 12.489 -6.479 104 2HB SER 14 2HB SER 14 6.626 12.974 -5.539 105 HG SER 14 HG SER 14 7.197 14.233 -7.495 106 H ILE 15 H ILE 15 5.461 10.417 -5.828 107 HA ILE 15 HA ILE 15 7.188 9.330 -3.914 108 HB ILE 15 HB ILE 15 4.470 8.371 -4.835 109 1HG1 ILE 15 1HG1 ILE 15 4.655 10.681 -3.862 110 2HG1 ILE 15 2HG1 ILE 15 3.606 9.592 -2.962 111 1HG2 ILE 15 1HG2 ILE 15 4.927 7.606 -2.167 112 2HG2 ILE 15 2HG2 ILE 15 6.359 7.114 -3.068 113 3HG2 ILE 15 3HG2 ILE 15 4.764 6.558 -3.575 114 1HD1 ILE 15 1HD1 ILE 15 5.475 11.162 -1.842 115 2HD1 ILE 15 2HD1 ILE 15 6.405 9.681 -2.068 116 3HD1 ILE 15 3HD1 ILE 15 4.909 9.648 -1.135 117 H ARG 16 H ARG 16 6.603 8.429 -7.169 118 HA ARG 16 HA ARG 16 7.321 5.682 -6.965 119 1HB ARG 16 1HB ARG 16 6.005 6.760 -8.843 120 2HB ARG 16 2HB ARG 16 7.530 7.409 -9.426 121 1HG ARG 16 1HG ARG 16 8.409 5.147 -9.683 122 2HG ARG 16 2HG ARG 16 6.886 4.485 -9.093 123 1HD ARG 16 1HD ARG 16 5.801 5.786 -11.018 124 2HD ARG 16 2HD ARG 16 7.437 5.933 -11.661 125 HE ARG 16 HE ARG 16 6.632 3.241 -10.993 126 1HH1 ARG 16 1HH1 ARG 16 6.759 5.685 -13.483 127 2HH1 ARG 16 2HH1 ARG 16 6.672 4.543 -14.781 128 1HH2 ARG 16 1HH2 ARG 16 6.507 1.740 -12.699 129 2HH2 ARG 16 2HH2 ARG 16 6.525 2.305 -14.337 130 H TRP 17 H TRP 17 9.095 8.409 -8.437 131 HA TRP 17 HA TRP 17 11.478 7.178 -8.944 132 1HB TRP 17 1HB TRP 17 10.981 9.485 -9.603 133 2HB TRP 17 2HB TRP 17 11.116 10.001 -7.925 134 HD1 TRP 17 HD1 TRP 17 13.328 8.562 -10.752 135 HE1 TRP 17 HE1 TRP 17 15.747 9.343 -10.352 136 HE3 TRP 17 HE3 TRP 17 12.691 10.907 -6.251 137 HZ2 TRP 17 HZ2 TRP 17 17.197 10.762 -8.391 138 HZ3 TRP 17 HZ3 TRP 17 14.651 11.947 -5.178 139 HH2 TRP 17 HH2 TRP 17 16.854 11.875 -6.227 140 H VAL 18 H VAL 18 10.475 8.596 -5.855 141 HA VAL 18 HA VAL 18 12.951 8.181 -4.577 142 HB VAL 18 HB VAL 18 10.500 8.159 -2.911 143 1HG1 VAL 18 1HG1 VAL 18 12.865 9.970 -2.653 144 2HG1 VAL 18 2HG1 VAL 18 12.982 8.275 -2.181 145 3HG1 VAL 18 3HG1 VAL 18 11.805 9.330 -1.398 146 1HG2 VAL 18 1HG2 VAL 18 9.680 9.766 -4.356 147 2HG2 VAL 18 2HG2 VAL 18 11.284 10.388 -4.742 148 3HG2 VAL 18 3HG2 VAL 18 10.555 10.738 -3.174 149 H LEU 19 H LEU 19 9.919 6.448 -4.047 150 HA LEU 19 HA LEU 19 11.179 4.394 -2.576 151 1HB LEU 19 1HB LEU 19 8.657 5.208 -2.674 152 2HB LEU 19 2HB LEU 19 8.530 3.890 -3.822 153 HG LEU 19 HG LEU 19 9.363 2.325 -2.115 154 1HD1 LEU 19 1HD1 LEU 19 9.789 2.941 0.106 155 2HD1 LEU 19 2HD1 LEU 19 9.099 4.548 -0.117 156 3HD1 LEU 19 3HD1 LEU 19 10.640 4.138 -0.868 157 1HD2 LEU 19 1HD2 LEU 19 6.870 3.810 -2.000 158 2HD2 LEU 19 2HD2 LEU 19 7.307 3.093 -0.448 159 3HD2 LEU 19 3HD2 LEU 19 7.166 2.076 -1.881 160 H GLU 20 H GLU 20 10.721 4.788 -5.970 161 HA GLU 20 HA GLU 20 10.732 2.044 -6.643 162 1HB GLU 20 1HB GLU 20 11.054 2.680 -8.891 163 2HB GLU 20 2HB GLU 20 10.024 3.898 -8.175 164 1HG GLU 20 1HG GLU 20 11.886 5.428 -8.038 165 2HG GLU 20 2HG GLU 20 12.973 4.190 -8.660 166 H ARG 21 H ARG 21 13.330 4.436 -6.819 167 HA ARG 21 HA ARG 21 15.336 2.535 -7.412 168 1HB ARG 21 1HB ARG 21 15.521 5.357 -6.366 169 2HB ARG 21 2HB ARG 21 16.919 4.401 -6.840 170 1HG ARG 21 1HG ARG 21 14.884 4.441 -8.901 171 2HG ARG 21 2HG ARG 21 15.424 6.062 -8.466 172 1HD ARG 21 1HD ARG 21 17.372 3.848 -9.022 173 2HD ARG 21 2HD ARG 21 16.688 4.819 -10.323 174 HE ARG 21 HE ARG 21 18.572 5.697 -8.284 175 1HH1 ARG 21 1HH1 ARG 21 16.491 6.566 -10.955 176 2HH1 ARG 21 2HH1 ARG 21 17.293 8.072 -11.245 177 1HH2 ARG 21 1HH2 ARG 21 19.614 7.680 -8.666 178 2HH2 ARG 21 2HH2 ARG 21 19.062 8.704 -9.949 179 H ALA 22 H ALA 22 14.762 4.339 -4.377 180 HA ALA 22 HA ALA 22 16.728 3.119 -2.873 181 1HB ALA 22 1HB ALA 22 15.456 5.110 -2.171 182 2HB ALA 22 2HB ALA 22 15.565 3.883 -0.908 183 3HB ALA 22 3HB ALA 22 14.073 4.070 -1.829 184 H LEU 23 H LEU 23 13.486 1.964 -3.522 185 HA LEU 23 HA LEU 23 13.654 -0.183 -1.648 186 1HB LEU 23 1HB LEU 23 11.541 0.915 -2.650 187 2HB LEU 23 2HB LEU 23 11.799 -0.169 -4.003 188 HG LEU 23 HG LEU 23 10.178 -0.804 -2.048 189 1HD1 LEU 23 1HD1 LEU 23 10.908 -2.145 -4.067 190 2HD1 LEU 23 2HD1 LEU 23 10.378 -3.062 -2.657 191 3HD1 LEU 23 3HD1 LEU 23 12.099 -2.896 -3.010 192 1HD2 LEU 23 1HD2 LEU 23 11.141 -2.052 -0.269 193 2HD2 LEU 23 2HD2 LEU 23 11.946 -0.485 -0.309 194 3HD2 LEU 23 3HD2 LEU 23 12.757 -1.908 -0.960 195 H ALA 24 H ALA 24 14.586 0.276 -4.940 196 HA ALA 24 HA ALA 24 14.815 -2.465 -5.640 197 1HB ALA 24 1HB ALA 24 15.397 -1.677 -7.656 198 2HB ALA 24 2HB ALA 24 16.689 -0.681 -6.986 199 3HB ALA 24 3HB ALA 24 15.031 -0.081 -7.000 200 H GLY 25 H GLY 25 16.861 -0.133 -4.011 201 1HA GLY 25 1HA GLY 25 19.281 -1.608 -4.126 202 2HA GLY 25 2HA GLY 25 18.891 -0.356 -2.955 203 H ALA 26 H ALA 26 16.429 -1.869 -2.178 204 HA ALA 26 HA ALA 26 17.618 -3.412 -0.090 205 1HB ALA 26 1HB ALA 26 15.715 -2.202 0.547 206 2HB ALA 26 2HB ALA 26 15.173 -3.878 0.470 207 3HB ALA 26 3HB ALA 26 14.788 -2.766 -0.843 208 H GLY 27 H GLY 27 16.574 -4.078 -3.262 209 1HA GLY 27 1HA GLY 27 17.084 -6.167 -4.285 210 2HA GLY 27 2HA GLY 27 16.870 -6.946 -2.727 211 H LEU 28 H LEU 28 14.474 -4.642 -3.854 212 HA LEU 28 HA LEU 28 12.788 -6.864 -4.686 213 1HB LEU 28 1HB LEU 28 11.352 -4.805 -3.186 214 2HB LEU 28 2HB LEU 28 11.176 -6.541 -3.161 215 HG LEU 28 HG LEU 28 13.487 -6.362 -1.834 216 1HD1 LEU 28 1HD1 LEU 28 13.315 -4.446 -0.262 217 2HD1 LEU 28 2HD1 LEU 28 12.062 -3.773 -1.299 218 3HD1 LEU 28 3HD1 LEU 28 13.698 -3.983 -1.920 219 1HD2 LEU 28 1HD2 LEU 28 11.594 -7.525 -0.973 220 2HD2 LEU 28 2HD2 LEU 28 10.697 -6.024 -0.751 221 3HD2 LEU 28 3HD2 LEU 28 12.104 -6.369 0.257 222 H THR 29 H THR 29 10.552 -5.853 -5.479 223 HA THR 29 HA THR 29 11.311 -3.813 -7.461 224 HB THR 29 HB THR 29 9.271 -6.026 -7.493 225 HG1 THR 29 HG1 THR 29 10.490 -6.129 -9.667 226 1HG2 THR 29 1HG2 THR 29 9.273 -3.546 -9.132 227 2HG2 THR 29 2HG2 THR 29 7.922 -4.514 -8.538 228 3HG2 THR 29 3HG2 THR 29 8.876 -5.079 -9.909 229 H CYS 30 H CYS 30 10.414 -1.859 -7.416 230 HA CYS 30 HA CYS 30 7.989 -1.459 -5.786 231 1HB CYS 30 1HB CYS 30 9.905 -0.553 -4.619 232 2HB CYS 30 2HB CYS 30 10.396 0.337 -6.051 233 HG CYS 30 HG CYS 30 7.657 1.149 -4.963 234 H THR 31 H THR 31 6.348 -0.992 -7.034 235 HA THR 31 HA THR 31 6.754 0.853 -9.298 236 HB THR 31 HB THR 31 6.058 -1.599 -9.819 237 HG1 THR 31 HG1 THR 31 4.270 -0.584 -11.251 238 1HG2 THR 31 1HG2 THR 31 3.791 -2.189 -9.634 239 2HG2 THR 31 2HG2 THR 31 3.342 -0.576 -9.081 240 3HG2 THR 31 3HG2 THR 31 4.288 -1.629 -8.037 241 H THR 32 H THR 32 4.925 2.348 -9.665 242 HA THR 32 HA THR 32 3.207 2.629 -7.314 243 HB THR 32 HB THR 32 3.580 5.020 -7.242 244 HG1 THR 32 HG1 THR 32 4.832 4.521 -9.640 245 1HG2 THR 32 1HG2 THR 32 5.213 3.317 -6.170 246 2HG2 THR 32 2HG2 THR 32 5.630 5.031 -6.223 247 3HG2 THR 32 3HG2 THR 32 6.334 3.911 -7.394 248 H PHE 33 H PHE 33 1.378 4.011 -7.568 249 HA PHE 33 HA PHE 33 0.464 4.404 -10.316 250 1HB PHE 33 1HB PHE 33 -1.320 3.204 -8.208 251 2HB PHE 33 2HB PHE 33 -1.663 3.419 -9.911 252 HD1 PHE 33 HD1 PHE 33 -1.594 1.534 -11.207 253 HD2 PHE 33 HD2 PHE 33 0.911 1.743 -7.773 254 HE1 PHE 33 HE1 PHE 33 -0.819 -0.751 -11.644 255 HE2 PHE 33 HE2 PHE 33 1.694 -0.540 -8.205 256 HZ PHE 33 HZ PHE 33 0.827 -1.796 -10.141 257 H GLU 34 H GLU 34 -1.740 5.635 -10.221 258 HA GLU 34 HA GLU 34 -1.228 8.155 -9.182 259 1HB GLU 34 1HB GLU 34 -3.694 8.532 -9.757 260 2HB GLU 34 2HB GLU 34 -2.627 7.995 -11.048 261 1HG GLU 34 1HG GLU 34 -3.822 6.167 -11.400 262 2HG GLU 34 2HG GLU 34 -3.783 5.741 -9.690 263 H ASN 35 H ASN 35 -4.441 7.301 -8.309 264 HA ASN 35 HA ASN 35 -3.952 8.096 -5.608 265 1HB ASN 35 1HB ASN 35 -5.982 8.650 -7.218 266 2HB ASN 35 2HB ASN 35 -6.639 7.188 -6.488 267 1HD2 ASN 35 1HD2 ASN 35 -5.978 7.256 -3.950 268 2HD2 ASN 35 2HD2 ASN 35 -6.559 8.677 -3.162 269 H GLY 36 H GLY 36 -5.690 5.377 -7.028 270 1HA GLY 36 1HA GLY 36 -4.395 3.430 -5.446 271 2HA GLY 36 2HA GLY 36 -5.900 3.894 -4.684 272 H ASN 37 H ASN 37 -7.385 4.317 -7.113 273 HA ASN 37 HA ASN 37 -8.342 1.721 -7.512 274 1HB ASN 37 1HB ASN 37 -8.849 4.365 -8.738 275 2HB ASN 37 2HB ASN 37 -9.290 2.965 -9.710 276 1HD2 ASN 37 1HD2 ASN 37 -10.614 1.299 -8.560 277 2HD2 ASN 37 2HD2 ASN 37 -11.837 1.862 -7.476 278 H GLU 38 H GLU 38 -5.874 3.545 -9.121 279 HA GLU 38 HA GLU 38 -5.650 2.194 -11.526 280 1HB GLU 38 1HB GLU 38 -4.408 4.247 -10.703 281 2HB GLU 38 2HB GLU 38 -3.297 3.143 -9.915 282 1HG GLU 38 1HG GLU 38 -2.138 3.145 -11.803 283 2HG GLU 38 2HG GLU 38 -3.450 2.207 -12.516 284 H VAL 39 H VAL 39 -3.873 1.424 -8.462 285 HA VAL 39 HA VAL 39 -2.508 -0.812 -9.352 286 HB VAL 39 HB VAL 39 -3.868 -0.808 -6.667 287 1HG1 VAL 39 1HG1 VAL 39 -1.069 -1.661 -7.071 288 2HG1 VAL 39 2HG1 VAL 39 -2.321 -2.684 -7.778 289 3HG1 VAL 39 3HG1 VAL 39 -2.329 -2.345 -6.048 290 1HG2 VAL 39 1HG2 VAL 39 -1.698 0.326 -5.929 291 2HG2 VAL 39 2HG2 VAL 39 -2.951 1.322 -6.672 292 3HG2 VAL 39 3HG2 VAL 39 -1.550 0.818 -7.611 293 H LEU 40 H LEU 40 -5.797 -0.638 -8.105 294 HA LEU 40 HA LEU 40 -6.524 -3.271 -8.015 295 1HB LEU 40 1HB LEU 40 -8.315 -1.130 -9.142 296 2HB LEU 40 2HB LEU 40 -8.793 -2.578 -8.277 297 HG LEU 40 HG LEU 40 -7.325 -0.222 -7.083 298 1HD1 LEU 40 1HD1 LEU 40 -10.181 -1.027 -7.205 299 2HD1 LEU 40 2HD1 LEU 40 -9.449 0.573 -7.269 300 3HD1 LEU 40 3HD1 LEU 40 -9.564 -0.275 -5.735 301 1HD2 LEU 40 1HD2 LEU 40 -7.286 -2.841 -6.223 302 2HD2 LEU 40 2HD2 LEU 40 -8.586 -2.111 -5.274 303 3HD2 LEU 40 3HD2 LEU 40 -6.963 -1.415 -5.237 304 H ALA 41 H ALA 41 -6.477 -1.186 -10.876 305 HA ALA 41 HA ALA 41 -7.580 -3.033 -12.675 306 1HB ALA 41 1HB ALA 41 -5.562 -0.910 -13.351 307 2HB ALA 41 2HB ALA 41 -7.270 -0.575 -13.059 308 3HB ALA 41 3HB ALA 41 -6.792 -1.604 -14.409 309 H ALA 42 H ALA 42 -4.248 -2.283 -11.879 310 HA ALA 42 HA ALA 42 -3.081 -4.195 -13.609 311 1HB ALA 42 1HB ALA 42 -1.222 -3.753 -11.614 312 2HB ALA 42 2HB ALA 42 -2.172 -2.267 -11.637 313 3HB ALA 42 3HB ALA 42 -1.385 -2.833 -13.110 314 H LEU 43 H LEU 43 -4.096 -4.244 -10.250 315 HA LEU 43 HA LEU 43 -2.877 -6.621 -9.447 316 1HB LEU 43 1HB LEU 43 -5.260 -5.078 -8.540 317 2HB LEU 43 2HB LEU 43 -5.000 -6.688 -7.898 318 HG LEU 43 HG LEU 43 -2.731 -4.762 -7.798 319 1HD1 LEU 43 1HD1 LEU 43 -4.914 -3.651 -6.980 320 2HD1 LEU 43 2HD1 LEU 43 -3.499 -3.617 -5.933 321 3HD1 LEU 43 3HD1 LEU 43 -4.785 -4.770 -5.627 322 1HD2 LEU 43 1HD2 LEU 43 -2.130 -6.834 -6.995 323 2HD2 LEU 43 2HD2 LEU 43 -3.718 -7.139 -6.289 324 3HD2 LEU 43 3HD2 LEU 43 -2.614 -5.999 -5.517 325 H ALA 44 H ALA 44 -5.608 -6.059 -11.461 326 HA ALA 44 HA ALA 44 -7.085 -8.372 -11.193 327 1HB ALA 44 1HB ALA 44 -6.507 -6.908 -13.762 328 2HB ALA 44 2HB ALA 44 -7.738 -6.454 -12.584 329 3HB ALA 44 3HB ALA 44 -7.870 -7.984 -13.452 330 H SER 45 H SER 45 -3.923 -8.005 -12.503 331 HA SER 45 HA SER 45 -3.947 -10.818 -13.269 332 1HB SER 45 1HB SER 45 -3.331 -8.512 -14.918 333 2HB SER 45 2HB SER 45 -1.999 -9.667 -14.882 334 HG SER 45 HG SER 45 -4.675 -10.452 -15.358 335 H LYS 46 H LYS 46 -2.799 -8.878 -10.997 336 HA LYS 46 HA LYS 46 -0.530 -10.556 -10.501 337 1HB LYS 46 1HB LYS 46 -0.015 -8.286 -11.960 338 2HB LYS 46 2HB LYS 46 0.308 -7.756 -10.316 339 1HG LYS 46 1HG LYS 46 1.499 -10.327 -10.773 340 2HG LYS 46 2HG LYS 46 2.002 -9.187 -12.022 341 1HD LYS 46 1HD LYS 46 2.793 -7.635 -10.364 342 2HD LYS 46 2HD LYS 46 2.134 -8.626 -9.060 343 1HE LYS 46 1HE LYS 46 3.947 -9.923 -9.018 344 2HE LYS 46 2HE LYS 46 3.906 -10.152 -10.765 345 1HZ LYS 46 1HZ LYS 46 5.656 -8.831 -10.926 346 2HZ LYS 46 2HZ LYS 46 5.664 -8.571 -9.255 347 3HZ LYS 46 3HZ LYS 46 4.776 -7.546 -10.266 348 H THR 47 H THR 47 0.495 -10.062 -8.390 349 HA THR 47 HA THR 47 -1.206 -8.555 -6.578 350 HB THR 47 HB THR 47 -0.339 -11.416 -6.171 351 HG1 THR 47 HG1 THR 47 -2.698 -10.204 -6.913 352 1HG2 THR 47 1HG2 THR 47 -1.361 -11.402 -4.030 353 2HG2 THR 47 2HG2 THR 47 -1.921 -9.744 -4.243 354 3HG2 THR 47 3HG2 THR 47 -0.196 -10.077 -4.075 355 HA PRO 48 HA PRO 48 2.944 -7.237 -5.453 356 1HB PRO 48 1HB PRO 48 2.209 -5.411 -3.590 357 2HB PRO 48 2HB PRO 48 2.113 -5.100 -5.325 358 1HG PRO 48 1HG PRO 48 -0.052 -5.929 -3.432 359 2HG PRO 48 2HG PRO 48 -0.094 -4.697 -4.709 360 1HD PRO 48 1HD PRO 48 -1.133 -7.167 -5.052 361 2HD PRO 48 2HD PRO 48 -0.384 -6.258 -6.380 362 H ASP 49 H ASP 49 4.310 -7.448 -3.670 363 HA ASP 49 HA ASP 49 3.533 -9.482 -1.785 364 1HB ASP 49 1HB ASP 49 5.754 -9.588 -2.730 365 2HB ASP 49 2HB ASP 49 6.097 -7.943 -2.227 366 H VAL 50 H VAL 50 4.083 -6.044 -1.832 367 HA VAL 50 HA VAL 50 2.811 -5.747 0.763 368 HB VAL 50 HB VAL 50 5.160 -5.905 1.380 369 1HG1 VAL 50 1HG1 VAL 50 6.877 -4.839 0.332 370 2HG1 VAL 50 2HG1 VAL 50 5.877 -3.479 -0.166 371 3HG1 VAL 50 3HG1 VAL 50 5.773 -5.014 -1.030 372 1HG2 VAL 50 1HG2 VAL 50 5.474 -3.611 2.358 373 2HG2 VAL 50 2HG2 VAL 50 3.922 -4.372 2.711 374 3HG2 VAL 50 3HG2 VAL 50 4.030 -3.116 1.476 375 H LEU 51 H LEU 51 1.122 -4.681 -0.264 376 HA LEU 51 HA LEU 51 1.650 -2.536 -2.117 377 1HB LEU 51 1HB LEU 51 -0.210 -4.040 -2.510 378 2HB LEU 51 2HB LEU 51 -0.931 -3.593 -0.977 379 HG LEU 51 HG LEU 51 -1.090 -1.221 -1.906 380 1HD1 LEU 51 1HD1 LEU 51 0.164 -2.578 -4.134 381 2HD1 LEU 51 2HD1 LEU 51 -0.049 -0.850 -3.837 382 3HD1 LEU 51 3HD1 LEU 51 -1.334 -1.781 -4.604 383 1HD2 LEU 51 1HD2 LEU 51 -2.804 -3.371 -2.009 384 2HD2 LEU 51 2HD2 LEU 51 -2.818 -2.766 -3.664 385 3HD2 LEU 51 3HD2 LEU 51 -3.229 -1.690 -2.328 386 H LEU 52 H LEU 52 0.896 -0.425 -1.954 387 HA LEU 52 HA LEU 52 0.333 0.649 0.722 388 1HB LEU 52 1HB LEU 52 2.470 1.528 -1.204 389 2HB LEU 52 2HB LEU 52 1.818 2.626 -0.009 390 HG LEU 52 HG LEU 52 2.820 0.067 1.056 391 1HD1 LEU 52 1HD1 LEU 52 4.623 0.194 -0.369 392 2HD1 LEU 52 2HD1 LEU 52 5.189 1.203 0.961 393 3HD1 LEU 52 3HD1 LEU 52 4.541 1.952 -0.500 394 1HD2 LEU 52 1HD2 LEU 52 2.046 2.424 2.130 395 2HD2 LEU 52 2HD2 LEU 52 3.790 2.674 2.011 396 3HD2 LEU 52 3HD2 LEU 52 3.166 1.304 2.914 397 H SER 53 H SER 53 -1.650 1.663 0.474 398 HA SER 53 HA SER 53 -2.204 2.872 -2.151 399 1HB SER 53 1HB SER 53 -3.704 1.011 -1.224 400 2HB SER 53 2HB SER 53 -4.313 2.235 -0.113 401 HG SER 53 HG SER 53 -5.599 2.692 -1.708 402 H ASP 54 H ASP 54 -3.183 4.851 -2.373 403 HA ASP 54 HA ASP 54 -2.492 6.776 -0.337 404 1HB ASP 54 1HB ASP 54 -2.248 7.085 -2.894 405 2HB ASP 54 2HB ASP 54 -3.972 7.430 -2.869 406 H ILE 55 H ILE 55 -4.038 8.531 0.169 407 HA ILE 55 HA ILE 55 -6.842 7.894 0.165 408 HB ILE 55 HB ILE 55 -6.345 6.634 2.044 409 1HG1 ILE 55 1HG1 ILE 55 -7.913 8.830 2.338 410 2HG1 ILE 55 2HG1 ILE 55 -7.761 7.569 3.549 411 1HG2 ILE 55 1HG2 ILE 55 -4.096 7.023 2.410 412 2HG2 ILE 55 2HG2 ILE 55 -4.871 7.543 3.900 413 3HG2 ILE 55 3HG2 ILE 55 -4.344 8.738 2.718 414 1HD1 ILE 55 1HD1 ILE 55 -7.633 9.853 4.454 415 2HD1 ILE 55 2HD1 ILE 55 -6.167 10.121 3.517 416 3HD1 ILE 55 3HD1 ILE 55 -6.189 8.900 4.789 417 H ARG 56 H ARG 56 -7.569 9.795 -0.575 418 HA ARG 56 HA ARG 56 -7.016 12.205 0.950 419 1HB ARG 56 1HB ARG 56 -5.640 11.644 -1.462 420 2HB ARG 56 2HB ARG 56 -6.796 12.919 -1.821 421 1HG ARG 56 1HG ARG 56 -5.321 13.347 0.663 422 2HG ARG 56 2HG ARG 56 -4.298 13.277 -0.774 423 1HD ARG 56 1HD ARG 56 -5.142 15.194 -1.633 424 2HD ARG 56 2HD ARG 56 -6.761 14.888 -1.005 425 HE ARG 56 HE ARG 56 -4.760 16.485 0.197 426 1HH1 ARG 56 1HH1 ARG 56 -7.298 14.225 0.981 427 2HH1 ARG 56 2HH1 ARG 56 -7.572 14.886 2.558 428 1HH2 ARG 56 1HH2 ARG 56 -5.115 17.357 2.273 429 2HH2 ARG 56 2HH2 ARG 56 -6.333 16.664 3.292 430 H MET 57 H MET 57 -9.368 10.703 0.736 431 HA MET 57 HA MET 57 -11.602 11.005 0.500 432 1HB MET 57 1HB MET 57 -10.578 13.562 0.761 433 2HB MET 57 2HB MET 57 -11.595 13.673 -0.668 434 1HG MET 57 1HG MET 57 -13.520 13.219 0.497 435 2HG MET 57 2HG MET 57 -12.669 12.359 1.779 436 1HE MET 57 1HE MET 57 -13.291 15.608 0.021 437 2HE MET 57 2HE MET 57 -13.201 16.858 1.261 438 3HE MET 57 3HE MET 57 -14.578 15.758 1.215 439 HA PRO 58 HA PRO 58 -11.200 10.600 -4.176 440 1HB PRO 58 1HB PRO 58 -10.850 7.932 -4.404 441 2HB PRO 58 2HB PRO 58 -9.498 9.049 -4.198 442 1HG PRO 58 1HG PRO 58 -10.784 7.246 -2.206 443 2HG PRO 58 2HG PRO 58 -9.086 7.718 -2.367 444 1HD PRO 58 1HD PRO 58 -10.904 8.782 -0.560 445 2HD PRO 58 2HD PRO 58 -9.370 9.524 -1.034 446 H GLY 59 H GLY 59 -12.373 7.538 -2.808 447 1HA GLY 59 1HA GLY 59 -15.045 8.180 -3.867 448 2HA GLY 59 2HA GLY 59 -14.390 6.555 -3.717 449 H MET 60 H MET 60 -13.264 7.129 -1.066 450 HA MET 60 HA MET 60 -15.531 7.703 0.634 451 1HB MET 60 1HB MET 60 -15.712 5.246 0.005 452 2HB MET 60 2HB MET 60 -14.211 5.003 0.887 453 1HG MET 60 1HG MET 60 -15.287 4.881 2.800 454 2HG MET 60 2HG MET 60 -16.034 6.454 2.529 455 1HE MET 60 1HE MET 60 -17.455 6.377 0.233 456 2HE MET 60 2HE MET 60 -18.987 6.326 1.105 457 3HE MET 60 3HE MET 60 -18.638 5.121 -0.136 458 H ASP 61 H ASP 61 -13.724 9.354 0.787 459 HA ASP 61 HA ASP 61 -12.262 10.434 2.143 460 1HB ASP 61 1HB ASP 61 -13.308 8.299 3.777 461 2HB ASP 61 2HB ASP 61 -11.643 8.668 4.215 462 H GLY 62 H GLY 62 -11.591 7.234 1.061 463 1HA GLY 62 1HA GLY 62 -9.362 7.266 -0.192 464 2HA GLY 62 2HA GLY 62 -8.706 7.623 1.395 465 H LEU 63 H LEU 63 -10.651 5.978 2.762 466 HA LEU 63 HA LEU 63 -9.232 3.531 2.647 467 1HB LEU 63 1HB LEU 63 -11.811 4.156 4.084 468 2HB LEU 63 2HB LEU 63 -10.801 2.748 4.358 469 HG LEU 63 HG LEU 63 -8.978 4.659 4.825 470 1HD1 LEU 63 1HD1 LEU 63 -11.373 5.939 6.049 471 2HD1 LEU 63 2HD1 LEU 63 -10.915 6.348 4.398 472 3HD1 LEU 63 3HD1 LEU 63 -9.779 6.614 5.718 473 1HD2 LEU 63 1HD2 LEU 63 -11.013 3.562 6.745 474 2HD2 LEU 63 2HD2 LEU 63 -9.561 4.440 7.242 475 3HD2 LEU 63 3HD2 LEU 63 -9.418 2.912 6.372 476 H ALA 64 H ALA 64 -11.823 4.825 0.870 477 HA ALA 64 HA ALA 64 -13.412 2.618 0.277 478 1HB ALA 64 1HB ALA 64 -14.385 4.069 -1.103 479 2HB ALA 64 2HB ALA 64 -12.937 4.163 -2.105 480 3HB ALA 64 3HB ALA 64 -13.113 5.224 -0.707 481 H LEU 65 H LEU 65 -10.272 3.571 -0.998 482 HA LEU 65 HA LEU 65 -10.081 1.761 -3.116 483 1HB LEU 65 1HB LEU 65 -8.469 3.688 -2.087 484 2HB LEU 65 2HB LEU 65 -7.613 2.246 -1.573 485 HG LEU 65 HG LEU 65 -6.673 2.935 -3.636 486 1HD1 LEU 65 1HD1 LEU 65 -6.999 1.002 -5.022 487 2HD1 LEU 65 2HD1 LEU 65 -8.546 0.661 -4.255 488 3HD1 LEU 65 3HD1 LEU 65 -7.051 0.508 -3.333 489 1HD2 LEU 65 1HD2 LEU 65 -8.616 2.728 -5.591 490 2HD2 LEU 65 2HD2 LEU 65 -7.923 4.225 -4.965 491 3HD2 LEU 65 3HD2 LEU 65 -9.425 3.595 -4.287 492 H LEU 66 H LEU 66 -9.500 1.405 0.322 493 HA LEU 66 HA LEU 66 -8.263 -1.110 0.313 494 1HB LEU 66 1HB LEU 66 -10.000 0.289 2.330 495 2HB LEU 66 2HB LEU 66 -9.371 -1.311 2.617 496 HG LEU 66 HG LEU 66 -7.989 0.331 3.727 497 1HD1 LEU 66 1HD1 LEU 66 -7.058 -1.605 1.916 498 2HD1 LEU 66 2HD1 LEU 66 -6.220 -0.936 3.316 499 3HD1 LEU 66 3HD1 LEU 66 -6.011 -0.197 1.728 500 1HD2 LEU 66 1HD2 LEU 66 -8.603 2.049 1.808 501 2HD2 LEU 66 2HD2 LEU 66 -7.052 1.510 1.173 502 3HD2 LEU 66 3HD2 LEU 66 -7.147 2.221 2.785 503 H LYS 67 H LYS 67 -11.666 -0.149 0.398 504 HA LYS 67 HA LYS 67 -12.859 -2.623 0.710 505 1HB LYS 67 1HB LYS 67 -13.790 -0.276 -0.947 506 2HB LYS 67 2HB LYS 67 -14.795 -1.659 -0.537 507 1HG LYS 67 1HG LYS 67 -14.012 -0.980 1.919 508 2HG LYS 67 2HG LYS 67 -13.897 0.600 1.142 509 1HD LYS 67 1HD LYS 67 -16.333 -0.575 0.306 510 2HD LYS 67 2HD LYS 67 -16.222 -0.788 2.055 511 1HE LYS 67 1HE LYS 67 -15.903 1.571 2.378 512 2HE LYS 67 2HE LYS 67 -15.799 1.838 0.638 513 1HZ LYS 67 1HZ LYS 67 -17.987 2.060 0.558 514 2HZ LYS 67 2HZ LYS 67 -18.075 1.877 2.237 515 3HZ LYS 67 3HZ LYS 67 -18.218 0.524 1.232 516 H GLN 68 H GLN 68 -11.822 -1.034 -2.291 517 HA GLN 68 HA GLN 68 -12.620 -3.038 -4.084 518 1HB GLN 68 1HB GLN 68 -10.378 -1.019 -4.207 519 2HB GLN 68 2HB GLN 68 -10.861 -2.021 -5.569 520 1HG GLN 68 1HG GLN 68 -12.450 -0.598 -6.102 521 2HG GLN 68 2HG GLN 68 -13.158 -0.734 -4.491 522 1HE2 GLN 68 1HE2 GLN 68 -13.512 1.207 -3.707 523 2HE2 GLN 68 2HE2 GLN 68 -12.441 2.560 -3.806 524 H ILE 69 H ILE 69 -9.788 -2.691 -2.071 525 HA ILE 69 HA ILE 69 -8.184 -4.633 -3.325 526 HB ILE 69 HB ILE 69 -8.117 -3.396 -0.594 527 1HG1 ILE 69 1HG1 ILE 69 -5.931 -3.138 -2.586 528 2HG1 ILE 69 2HG1 ILE 69 -7.452 -2.330 -2.961 529 1HG2 ILE 69 1HG2 ILE 69 -6.987 -5.870 -1.136 530 2HG2 ILE 69 2HG2 ILE 69 -6.565 -4.784 0.186 531 3HG2 ILE 69 3HG2 ILE 69 -5.654 -4.730 -1.325 532 1HD1 ILE 69 1HD1 ILE 69 -6.478 -1.888 -0.236 533 2HD1 ILE 69 2HD1 ILE 69 -7.125 -0.749 -1.417 534 3HD1 ILE 69 3HD1 ILE 69 -5.438 -1.254 -1.511 535 H LYS 70 H LYS 70 -10.419 -4.833 -0.621 536 HA LYS 70 HA LYS 70 -9.816 -7.570 -0.097 537 1HB LYS 70 1HB LYS 70 -11.528 -7.483 1.574 538 2HB LYS 70 2HB LYS 70 -10.600 -5.993 1.653 539 1HG LYS 70 1HG LYS 70 -12.597 -5.284 -0.033 540 2HG LYS 70 2HG LYS 70 -13.423 -6.435 1.015 541 1HD LYS 70 1HD LYS 70 -12.367 -5.119 2.951 542 2HD LYS 70 2HD LYS 70 -12.046 -3.871 1.754 543 1HE LYS 70 1HE LYS 70 -14.428 -3.758 1.226 544 2HE LYS 70 2HE LYS 70 -14.755 -5.029 2.405 545 1HZ LYS 70 1HZ LYS 70 -14.314 -3.630 4.165 546 2HZ LYS 70 2HZ LYS 70 -15.068 -2.576 3.079 547 3HZ LYS 70 3HZ LYS 70 -13.384 -2.559 3.240 548 H GLN 71 H GLN 71 -12.039 -5.913 -2.144 549 HA GLN 71 HA GLN 71 -13.883 -8.051 -2.431 550 1HB GLN 71 1HB GLN 71 -13.428 -5.444 -3.801 551 2HB GLN 71 2HB GLN 71 -14.448 -6.644 -4.588 552 1HG GLN 71 1HG GLN 71 -16.026 -6.606 -2.858 553 2HG GLN 71 2HG GLN 71 -14.915 -5.795 -1.753 554 1HE2 GLN 71 1HE2 GLN 71 -14.008 -3.701 -2.990 555 2HE2 GLN 71 2HE2 GLN 71 -15.263 -2.635 -3.509 556 H ARG 72 H ARG 72 -11.179 -6.898 -4.341 557 HA ARG 72 HA ARG 72 -11.506 -9.037 -6.270 558 1HB ARG 72 1HB ARG 72 -9.691 -6.661 -6.082 559 2HB ARG 72 2HB ARG 72 -9.377 -7.942 -7.244 560 1HG ARG 72 1HG ARG 72 -12.026 -7.399 -7.674 561 2HG ARG 72 2HG ARG 72 -11.364 -5.809 -7.291 562 1HD ARG 72 1HD ARG 72 -9.562 -7.149 -9.047 563 2HD ARG 72 2HD ARG 72 -11.187 -7.257 -9.721 564 HE ARG 72 HE ARG 72 -10.631 -4.615 -8.855 565 1HH1 ARG 72 1HH1 ARG 72 -9.911 -6.879 -11.412 566 2HH1 ARG 72 2HH1 ARG 72 -9.623 -5.646 -12.593 567 1HH2 ARG 72 1HH2 ARG 72 -10.253 -2.991 -10.408 568 2HH2 ARG 72 2HH2 ARG 72 -9.817 -3.439 -12.024 569 H HIS 73 H HIS 73 -8.919 -7.913 -4.164 570 HA HIS 73 HA HIS 73 -7.485 -10.422 -4.480 571 1HB HIS 73 1HB HIS 73 -6.478 -8.378 -2.585 572 2HB HIS 73 2HB HIS 73 -5.617 -9.281 -3.831 573 HD1 HIS 73 HD1 HIS 73 -6.772 -8.449 -6.387 574 HD2 HIS 73 HD2 HIS 73 -6.424 -5.769 -3.237 575 HE1 HIS 73 HE1 HIS 73 -6.905 -6.166 -7.430 576 HE2 HIS 73 HE2 HIS 73 -6.852 -4.571 -5.485 577 HA PRO 74 HA PRO 74 -9.216 -12.388 -0.900 578 1HB PRO 74 1HB PRO 74 -6.527 -13.621 -0.631 579 2HB PRO 74 2HB PRO 74 -8.114 -14.389 -0.739 580 1HG PRO 74 1HG PRO 74 -6.437 -14.424 -2.811 581 2HG PRO 74 2HG PRO 74 -8.183 -14.224 -3.050 582 1HD PRO 74 1HD PRO 74 -6.006 -12.179 -3.161 583 2HD PRO 74 2HD PRO 74 -7.462 -12.336 -4.167 584 H MET 75 H MET 75 -5.734 -11.874 -0.318 585 HA MET 75 HA MET 75 -6.389 -10.148 1.955 586 1HB MET 75 1HB MET 75 -4.844 -12.731 2.082 587 2HB MET 75 2HB MET 75 -4.582 -11.455 3.261 588 1HG MET 75 1HG MET 75 -6.722 -11.662 4.144 589 2HG MET 75 2HG MET 75 -7.326 -12.526 2.730 590 1HE MET 75 1HE MET 75 -7.140 -15.101 2.377 591 2HE MET 75 2HE MET 75 -8.335 -14.619 3.582 592 3HE MET 75 3HE MET 75 -7.296 -16.012 3.878 593 H LEU 76 H LEU 76 -5.384 -9.297 -0.470 594 HA LEU 76 HA LEU 76 -2.584 -9.221 -0.667 595 1HB LEU 76 1HB LEU 76 -4.221 -8.641 -2.474 596 2HB LEU 76 2HB LEU 76 -4.529 -7.128 -1.639 597 HG LEU 76 HG LEU 76 -2.902 -7.145 -3.640 598 1HD1 LEU 76 1HD1 LEU 76 -1.575 -5.834 -1.372 599 2HD1 LEU 76 2HD1 LEU 76 -3.299 -5.494 -1.547 600 3HD1 LEU 76 3HD1 LEU 76 -2.191 -5.157 -2.880 601 1HD2 LEU 76 1HD2 LEU 76 -1.641 -9.106 -2.397 602 2HD2 LEU 76 2HD2 LEU 76 -0.807 -7.759 -1.624 603 3HD2 LEU 76 3HD2 LEU 76 -0.772 -7.927 -3.376 604 HA PRO 77 HA PRO 77 -1.892 -6.636 2.979 605 1HB PRO 77 1HB PRO 77 0.872 -6.708 1.896 606 2HB PRO 77 2HB PRO 77 0.288 -7.082 3.522 607 1HG PRO 77 1HG PRO 77 1.026 -9.037 1.885 608 2HG PRO 77 2HG PRO 77 -0.401 -9.221 2.922 609 1HD PRO 77 1HD PRO 77 -0.256 -8.583 -0.002 610 2HD PRO 77 2HD PRO 77 -1.360 -9.679 0.855 611 H VAL 78 H VAL 78 -2.497 -4.610 2.831 612 HA VAL 78 HA VAL 78 -1.208 -2.815 0.898 613 HB VAL 78 HB VAL 78 -3.886 -2.233 2.120 614 1HG1 VAL 78 1HG1 VAL 78 -3.313 -0.340 1.037 615 2HG1 VAL 78 2HG1 VAL 78 -3.942 -1.213 -0.359 616 3HG1 VAL 78 3HG1 VAL 78 -2.207 -1.169 -0.057 617 1HG2 VAL 78 1HG2 VAL 78 -4.916 -3.175 0.036 618 2HG2 VAL 78 2HG2 VAL 78 -4.255 -4.379 1.142 619 3HG2 VAL 78 3HG2 VAL 78 -3.364 -3.936 -0.312 620 H ILE 79 H ILE 79 -0.797 -0.676 1.594 621 HA ILE 79 HA ILE 79 -0.908 -0.210 4.491 622 HB ILE 79 HB ILE 79 1.478 0.568 2.847 623 1HG1 ILE 79 1HG1 ILE 79 1.756 -1.655 4.776 624 2HG1 ILE 79 2HG1 ILE 79 0.922 -2.036 3.274 625 1HG2 ILE 79 1HG2 ILE 79 2.423 1.301 4.781 626 2HG2 ILE 79 2HG2 ILE 79 1.547 0.138 5.776 627 3HG2 ILE 79 3HG2 ILE 79 0.726 1.576 5.169 628 1HD1 ILE 79 1HD1 ILE 79 3.550 -0.625 3.219 629 2HD1 ILE 79 2HD1 ILE 79 2.791 -1.630 1.984 630 3HD1 ILE 79 3HD1 ILE 79 3.469 -2.373 3.433 631 H ILE 80 H ILE 80 -2.040 1.597 4.815 632 HA ILE 80 HA ILE 80 -2.234 3.538 2.653 633 HB ILE 80 HB ILE 80 -3.735 3.558 5.269 634 1HG1 ILE 80 1HG1 ILE 80 -4.168 1.440 4.162 635 2HG1 ILE 80 2HG1 ILE 80 -5.580 2.478 4.004 636 1HG2 ILE 80 1HG2 ILE 80 -3.742 5.217 2.872 637 2HG2 ILE 80 2HG2 ILE 80 -4.354 5.554 4.490 638 3HG2 ILE 80 3HG2 ILE 80 -5.344 4.653 3.347 639 1HD1 ILE 80 1HD1 ILE 80 -3.666 2.671 1.799 640 2HD1 ILE 80 2HD1 ILE 80 -5.423 2.565 1.779 641 3HD1 ILE 80 3HD1 ILE 80 -4.455 1.105 1.975 642 H MET 81 H MET 81 -1.664 5.643 2.754 643 HA MET 81 HA MET 81 0.378 6.308 4.701 644 1HB MET 81 1HB MET 81 0.287 8.535 3.245 645 2HB MET 81 2HB MET 81 1.142 7.092 2.734 646 1HG MET 81 1HG MET 81 -1.691 7.312 1.925 647 2HG MET 81 2HG MET 81 -0.551 8.422 1.168 648 1HE MET 81 1HE MET 81 1.987 7.070 1.175 649 2HE MET 81 2HE MET 81 1.666 7.298 -0.536 650 3HE MET 81 3HE MET 81 2.162 5.718 0.060 651 H THR 82 H THR 82 -2.980 6.829 4.526 652 HA THR 82 HA THR 82 -2.771 8.727 6.728 653 HB THR 82 HB THR 82 -4.514 9.348 4.353 654 HG1 THR 82 HG1 THR 82 -2.946 10.447 3.523 655 1HG2 THR 82 1HG2 THR 82 -5.290 11.135 5.412 656 2HG2 THR 82 2HG2 THR 82 -3.731 11.487 6.159 657 3HG2 THR 82 3HG2 THR 82 -4.796 10.272 6.867 658 H ALA 83 H ALA 83 -4.288 8.376 8.291 659 HA ALA 83 HA ALA 83 -6.602 6.707 7.552 660 1HB ALA 83 1HB ALA 83 -5.751 6.367 10.313 661 2HB ALA 83 2HB ALA 83 -4.551 5.836 9.135 662 3HB ALA 83 3HB ALA 83 -6.188 5.167 9.094 663 H HIS 84 H HIS 84 -5.716 9.684 8.652 664 HA HIS 84 HA HIS 84 -7.576 10.098 10.765 665 1HB HIS 84 1HB HIS 84 -6.675 12.319 8.960 666 2HB HIS 84 2HB HIS 84 -6.964 12.350 10.695 667 HD1 HIS 84 HD1 HIS 84 -5.038 11.557 12.231 668 HD2 HIS 84 HD2 HIS 84 -4.132 11.485 8.178 669 HE1 HIS 84 HE1 HIS 84 -2.543 11.269 12.107 670 HE2 HIS 84 HE2 HIS 84 -2.029 11.130 9.644 671 H SER 85 H SER 85 -9.297 8.866 9.491 672 HA SER 85 HA SER 85 -11.137 10.816 8.416 673 1HB SER 85 1HB SER 85 -10.107 8.532 6.723 674 2HB SER 85 2HB SER 85 -11.542 9.479 6.332 675 HG SER 85 HG SER 85 -10.148 11.344 6.347 676 H ASP 86 H ASP 86 -11.029 7.307 7.927 677 HA ASP 86 HA ASP 86 -13.056 6.915 9.984 678 1HB ASP 86 1HB ASP 86 -13.841 7.276 7.368 679 2HB ASP 86 2HB ASP 86 -13.741 5.522 7.494 680 H LEU 87 H LEU 87 -11.218 5.852 10.956 681 HA LEU 87 HA LEU 87 -9.689 3.831 9.973 682 1HB LEU 87 1HB LEU 87 -10.544 4.697 12.604 683 2HB LEU 87 2HB LEU 87 -10.256 2.968 12.550 684 HG LEU 87 HG LEU 87 -8.285 5.146 11.859 685 1HD1 LEU 87 1HD1 LEU 87 -8.713 4.731 14.268 686 2HD1 LEU 87 2HD1 LEU 87 -7.060 4.374 13.769 687 3HD1 LEU 87 3HD1 LEU 87 -8.205 3.058 14.029 688 1HD2 LEU 87 1HD2 LEU 87 -7.686 3.502 10.355 689 2HD2 LEU 87 2HD2 LEU 87 -8.231 2.195 11.407 690 3HD2 LEU 87 3HD2 LEU 87 -6.734 3.054 11.772 691 H ASP 88 H ASP 88 -13.077 3.673 10.556 692 HA ASP 88 HA ASP 88 -13.581 1.041 11.096 693 1HB ASP 88 1HB ASP 88 -15.004 3.160 9.605 694 2HB ASP 88 2HB ASP 88 -15.542 1.511 9.297 695 H ALA 89 H ALA 89 -13.288 2.395 7.795 696 HA ALA 89 HA ALA 89 -13.240 -0.170 6.577 697 1HB ALA 89 1HB ALA 89 -12.378 1.188 4.569 698 2HB ALA 89 2HB ALA 89 -12.670 2.599 5.588 699 3HB ALA 89 3HB ALA 89 -14.003 1.523 5.171 700 H ALA 90 H ALA 90 -10.871 1.787 8.095 701 HA ALA 90 HA ALA 90 -8.574 0.810 6.744 702 1HB ALA 90 1HB ALA 90 -8.958 2.181 9.389 703 2HB ALA 90 2HB ALA 90 -8.284 2.840 7.901 704 3HB ALA 90 3HB ALA 90 -7.374 1.649 8.829 705 H VAL 91 H VAL 91 -9.766 0.105 10.044 706 HA VAL 91 HA VAL 91 -8.030 -2.037 10.499 707 HB VAL 91 HB VAL 91 -10.766 -1.734 11.731 708 1HG1 VAL 91 1HG1 VAL 91 -8.949 -2.667 13.614 709 2HG1 VAL 91 2HG1 VAL 91 -8.541 -3.545 12.139 710 3HG1 VAL 91 3HG1 VAL 91 -10.182 -3.615 12.781 711 1HG2 VAL 91 1HG2 VAL 91 -8.176 -0.337 12.300 712 2HG2 VAL 91 2HG2 VAL 91 -9.382 -0.574 13.564 713 3HG2 VAL 91 3HG2 VAL 91 -9.790 0.349 12.117 714 H SER 92 H SER 92 -11.381 -2.022 9.323 715 HA SER 92 HA SER 92 -11.784 -4.769 9.203 716 1HB SER 92 1HB SER 92 -12.880 -2.671 7.317 717 2HB SER 92 2HB SER 92 -13.545 -4.285 7.569 718 HG SER 92 HG SER 92 -14.358 -3.677 9.443 719 H ALA 93 H ALA 93 -10.563 -2.588 6.694 720 HA ALA 93 HA ALA 93 -10.190 -4.515 4.697 721 1HB ALA 93 1HB ALA 93 -8.670 -1.957 5.084 722 2HB ALA 93 2HB ALA 93 -10.248 -2.091 4.306 723 3HB ALA 93 3HB ALA 93 -8.837 -2.866 3.583 724 H TYR 94 H TYR 94 -8.041 -3.330 7.197 725 HA TYR 94 HA TYR 94 -5.746 -4.764 6.304 726 1HB TYR 94 1HB TYR 94 -4.812 -3.308 7.684 727 2HB TYR 94 2HB TYR 94 -6.404 -2.808 8.239 728 HD1 TYR 94 HD1 TYR 94 -3.637 -5.101 8.829 729 HD2 TYR 94 HD2 TYR 94 -7.223 -3.464 10.301 730 HE1 TYR 94 HE1 TYR 94 -3.113 -6.034 11.055 731 HE2 TYR 94 HE2 TYR 94 -6.751 -4.372 12.554 732 HH TYR 94 HH TYR 94 -3.736 -5.514 13.456 733 H GLN 95 H GLN 95 -8.533 -5.560 8.066 734 HA GLN 95 HA GLN 95 -7.445 -7.801 9.470 735 1HB GLN 95 1HB GLN 95 -9.476 -7.908 10.460 736 2HB GLN 95 2HB GLN 95 -9.734 -6.343 9.708 737 1HG GLN 95 1HG GLN 95 -10.581 -7.880 7.710 738 2HG GLN 95 2HG GLN 95 -10.892 -8.986 9.044 739 1HE2 GLN 95 1HE2 GLN 95 -12.476 -7.141 7.132 740 2HE2 GLN 95 2HE2 GLN 95 -13.627 -6.391 8.184 741 H GLN 96 H GLN 96 -9.134 -7.319 6.409 742 HA GLN 96 HA GLN 96 -8.994 -10.162 5.844 743 1HB GLN 96 1HB GLN 96 -10.543 -9.759 4.057 744 2HB GLN 96 2HB GLN 96 -11.147 -9.003 5.533 745 1HG GLN 96 1HG GLN 96 -9.712 -6.981 4.365 746 2HG GLN 96 2HG GLN 96 -10.403 -7.822 2.978 747 1HE2 GLN 96 1HE2 GLN 96 -12.704 -8.175 2.978 748 2HE2 GLN 96 2HE2 GLN 96 -13.741 -7.021 3.739 749 H GLY 97 H GLY 97 -7.343 -7.261 4.993 750 1HA GLY 97 1HA GLY 97 -5.417 -8.605 3.476 751 2HA GLY 97 2HA GLY 97 -6.603 -7.965 2.355 752 H ALA 98 H ALA 98 -4.640 -6.906 5.128 753 HA ALA 98 HA ALA 98 -3.358 -4.887 3.665 754 1HB ALA 98 1HB ALA 98 -4.816 -3.373 5.642 755 2HB ALA 98 2HB ALA 98 -5.891 -4.121 4.459 756 3HB ALA 98 3HB ALA 98 -4.589 -3.060 3.922 757 H PHE 99 H PHE 99 -1.479 -4.360 4.664 758 HA PHE 99 HA PHE 99 -0.727 -5.745 6.989 759 1HB PHE 99 1HB PHE 99 0.919 -5.028 5.318 760 2HB PHE 99 2HB PHE 99 0.613 -3.342 5.730 761 HD1 PHE 99 HD1 PHE 99 1.375 -6.487 7.601 762 HD2 PHE 99 HD2 PHE 99 2.262 -2.369 6.999 763 HE1 PHE 99 HE1 PHE 99 3.099 -6.604 9.354 764 HE2 PHE 99 HE2 PHE 99 3.987 -2.481 8.749 765 HZ PHE 99 HZ PHE 99 4.408 -4.600 9.929 766 H ASP 100 H ASP 100 -1.341 -2.248 6.544 767 HA ASP 100 HA ASP 100 -2.682 -1.917 8.968 768 1HB ASP 100 1HB ASP 100 0.147 -2.198 9.282 769 2HB ASP 100 2HB ASP 100 -0.296 -0.548 9.703 770 H TYR 101 H TYR 101 -1.741 0.648 9.745 771 HA TYR 101 HA TYR 101 -2.118 2.228 7.290 772 1HB TYR 101 1HB TYR 101 -3.713 2.216 9.781 773 2HB TYR 101 2HB TYR 101 -3.303 3.810 9.155 774 HD1 TYR 101 HD1 TYR 101 -4.762 0.552 8.065 775 HD2 TYR 101 HD2 TYR 101 -4.625 4.765 7.512 776 HE1 TYR 101 HE1 TYR 101 -6.597 0.393 6.441 777 HE2 TYR 101 HE2 TYR 101 -6.473 4.624 5.900 778 HH TYR 101 HH TYR 101 -7.632 3.147 4.552 779 H LEU 102 H LEU 102 -0.634 3.750 6.987 780 HA LEU 102 HA LEU 102 1.120 4.480 9.234 781 1HB LEU 102 1HB LEU 102 2.282 3.415 7.402 782 2HB LEU 102 2HB LEU 102 1.572 4.521 6.250 783 HG LEU 102 HG LEU 102 2.836 6.318 7.755 784 1HD1 LEU 102 1HD1 LEU 102 3.766 4.915 9.401 785 2HD1 LEU 102 2HD1 LEU 102 5.096 5.317 8.315 786 3HD1 LEU 102 3HD1 LEU 102 4.314 3.741 8.204 787 1HD2 LEU 102 1HD2 LEU 102 4.427 6.462 6.061 788 2HD2 LEU 102 2HD2 LEU 102 3.080 5.641 5.273 789 3HD2 LEU 102 3HD2 LEU 102 4.478 4.716 5.822 790 HA PRO 103 HA PRO 103 -0.611 8.581 9.341 791 1HB PRO 103 1HB PRO 103 2.232 9.356 9.820 792 2HB PRO 103 2HB PRO 103 0.780 9.798 10.724 793 1HG PRO 103 1HG PRO 103 2.465 7.975 11.680 794 2HG PRO 103 2HG PRO 103 0.713 7.775 11.860 795 1HD PRO 103 1HD PRO 103 2.598 6.400 10.003 796 2HD PRO 103 2HD PRO 103 1.144 5.774 10.806 797 H LYS 104 H LYS 104 -0.193 10.756 8.279 798 HA LYS 104 HA LYS 104 -0.056 10.572 5.574 799 1HB LYS 104 1HB LYS 104 -0.435 12.642 7.273 800 2HB LYS 104 2HB LYS 104 1.120 13.074 6.572 801 1HG LYS 104 1HG LYS 104 -1.450 12.547 5.091 802 2HG LYS 104 2HG LYS 104 -0.625 14.095 5.282 803 1HD LYS 104 1HD LYS 104 0.236 13.601 3.254 804 2HD LYS 104 2HD LYS 104 1.354 12.606 4.187 805 1HE LYS 104 1HE LYS 104 0.241 10.635 3.653 806 2HE LYS 104 2HE LYS 104 -1.257 11.475 3.249 807 1HZ LYS 104 1HZ LYS 104 0.006 10.592 1.299 808 2HZ LYS 104 2HZ LYS 104 1.234 11.706 1.650 809 3HZ LYS 104 3HZ LYS 104 -0.308 12.256 1.231 810 HA PRO 105 HA PRO 105 4.789 11.713 5.807 811 1HB PRO 105 1HB PRO 105 5.813 9.863 7.689 812 2HB PRO 105 2HB PRO 105 5.806 11.621 7.832 813 1HG PRO 105 1HG PRO 105 3.938 9.620 8.984 814 2HG PRO 105 2HG PRO 105 4.456 11.184 9.639 815 1HD PRO 105 1HD PRO 105 2.021 10.864 8.602 816 2HD PRO 105 2HD PRO 105 2.926 12.366 8.351 817 H PHE 106 H PHE 106 6.428 10.235 4.862 818 HA PHE 106 HA PHE 106 5.794 7.475 4.532 819 1HB PHE 106 1HB PHE 106 4.149 8.849 3.061 820 2HB PHE 106 2HB PHE 106 5.527 9.059 1.996 821 HD1 PHE 106 HD1 PHE 106 3.218 6.597 3.484 822 HD2 PHE 106 HD2 PHE 106 6.309 7.299 0.629 823 HE1 PHE 106 HE1 PHE 106 2.742 4.429 2.423 824 HE2 PHE 106 HE2 PHE 106 5.832 5.133 -0.428 825 HZ PHE 106 HZ PHE 106 4.046 3.701 0.462 826 H ASP 107 H ASP 107 7.148 9.238 1.801 827 HA ASP 107 HA ASP 107 9.195 8.984 0.808 828 1HB ASP 107 1HB ASP 107 11.011 9.940 2.067 829 2HB ASP 107 2HB ASP 107 9.541 10.814 2.484 830 H ILE 108 H ILE 108 11.618 8.055 1.476 831 HA ILE 108 HA ILE 108 11.221 5.262 1.524 832 HB ILE 108 HB ILE 108 13.582 7.028 1.392 833 1HG1 ILE 108 1HG1 ILE 108 13.890 6.051 -0.723 834 2HG1 ILE 108 2HG1 ILE 108 12.923 4.642 -0.300 835 1HG2 ILE 108 1HG2 ILE 108 14.022 4.073 1.599 836 2HG2 ILE 108 2HG2 ILE 108 14.121 5.114 3.017 837 3HG2 ILE 108 3HG2 ILE 108 15.207 5.371 1.656 838 1HD1 ILE 108 1HD1 ILE 108 11.861 7.433 -0.658 839 2HD1 ILE 108 2HD1 ILE 108 10.913 5.989 -0.311 840 3HD1 ILE 108 3HD1 ILE 108 11.764 6.136 -1.842 841 H ASP 109 H ASP 109 12.582 7.469 3.873 842 HA ASP 109 HA ASP 109 13.346 5.676 5.808 843 1HB ASP 109 1HB ASP 109 13.640 8.207 5.805 844 2HB ASP 109 2HB ASP 109 12.013 8.297 6.474 845 H GLU 110 H GLU 110 10.161 7.313 5.697 846 HA GLU 110 HA GLU 110 9.136 5.630 7.740 847 1HB GLU 110 1HB GLU 110 7.594 7.522 5.977 848 2HB GLU 110 2HB GLU 110 7.084 6.868 7.525 849 1HG GLU 110 1HG GLU 110 9.633 8.307 7.588 850 2HG GLU 110 2HG GLU 110 8.236 9.293 7.157 851 H ALA 111 H ALA 111 8.998 5.538 4.242 852 HA ALA 111 HA ALA 111 6.848 3.614 4.269 853 1HB ALA 111 1HB ALA 111 6.946 5.121 2.402 854 2HB ALA 111 2HB ALA 111 7.212 3.470 1.834 855 3HB ALA 111 3HB ALA 111 8.577 4.575 1.999 856 H VAL 112 H VAL 112 10.271 3.499 3.222 857 HA VAL 112 HA VAL 112 10.396 0.754 2.852 858 HB VAL 112 HB VAL 112 12.653 2.435 3.933 859 1HG1 VAL 112 1HG1 VAL 112 13.960 0.642 3.665 860 2HG1 VAL 112 2HG1 VAL 112 13.295 0.304 2.067 861 3HG1 VAL 112 3HG1 VAL 112 12.475 -0.299 3.510 862 1HG2 VAL 112 1HG2 VAL 112 11.409 2.254 1.251 863 2HG2 VAL 112 2HG2 VAL 112 13.172 2.302 1.320 864 3HG2 VAL 112 3HG2 VAL 112 12.225 3.604 2.036 865 H ALA 113 H ALA 113 10.522 2.654 5.745 866 HA ALA 113 HA ALA 113 11.487 0.754 7.562 867 1HB ALA 113 1HB ALA 113 10.452 3.347 7.673 868 2HB ALA 113 2HB ALA 113 11.135 2.422 9.009 869 3HB ALA 113 3HB ALA 113 9.398 2.384 8.701 870 H LEU 114 H LEU 114 8.190 1.623 6.659 871 HA LEU 114 HA LEU 114 7.006 -0.494 8.140 872 1HB LEU 114 1HB LEU 114 6.006 1.767 7.644 873 2HB LEU 114 2HB LEU 114 5.711 1.186 6.016 874 HG LEU 114 HG LEU 114 4.283 -0.620 6.957 875 1HD1 LEU 114 1HD1 LEU 114 4.810 0.834 9.543 876 2HD1 LEU 114 2HD1 LEU 114 5.205 -0.843 9.163 877 3HD1 LEU 114 3HD1 LEU 114 3.517 -0.343 9.306 878 1HD2 LEU 114 1HD2 LEU 114 2.403 0.741 7.269 879 2HD2 LEU 114 2HD2 LEU 114 3.477 1.687 6.236 880 3HD2 LEU 114 3HD2 LEU 114 3.361 2.047 7.957 881 H VAL 115 H VAL 115 8.261 -0.269 4.925 882 HA VAL 115 HA VAL 115 6.577 -2.334 3.870 883 HB VAL 115 HB VAL 115 7.763 -0.559 2.465 884 1HG1 VAL 115 1HG1 VAL 115 9.972 -0.968 1.708 885 2HG1 VAL 115 2HG1 VAL 115 10.035 -2.530 2.527 886 3HG1 VAL 115 3HG1 VAL 115 10.019 -1.042 3.466 887 1HG2 VAL 115 1HG2 VAL 115 6.605 -2.121 1.227 888 2HG2 VAL 115 2HG2 VAL 115 7.570 -3.469 1.828 889 3HG2 VAL 115 3HG2 VAL 115 8.251 -2.360 0.637 890 H GLU 116 H GLU 116 9.946 -2.226 4.999 891 HA GLU 116 HA GLU 116 10.511 -4.940 4.498 892 1HB GLU 116 1HB GLU 116 11.710 -3.015 6.496 893 2HB GLU 116 2HB GLU 116 12.362 -4.612 6.154 894 1HG GLU 116 1HG GLU 116 12.452 -3.818 3.708 895 2HG GLU 116 2HG GLU 116 12.269 -2.200 4.387 896 H ARG 117 H ARG 117 9.559 -3.291 7.518 897 HA ARG 117 HA ARG 117 9.418 -5.567 9.127 898 1HB ARG 117 1HB ARG 117 7.742 -3.056 9.297 899 2HB ARG 117 2HB ARG 117 7.947 -4.236 10.585 900 1HG ARG 117 1HG ARG 117 10.442 -3.133 9.500 901 2HG ARG 117 2HG ARG 117 9.402 -1.976 10.334 902 1HD ARG 117 1HD ARG 117 9.269 -3.803 12.169 903 2HD ARG 117 2HD ARG 117 10.715 -4.449 11.393 904 HE ARG 117 HE ARG 117 10.563 -2.165 13.076 905 1HH1 ARG 117 1HH1 ARG 117 12.230 -3.463 10.299 906 2HH1 ARG 117 2HH1 ARG 117 13.658 -2.520 10.559 907 1HH2 ARG 117 1HH2 ARG 117 12.438 -0.925 13.422 908 2HH2 ARG 117 2HH2 ARG 117 13.778 -1.079 12.335 909 H ALA 118 H ALA 118 7.292 -4.381 6.692 910 HA ALA 118 HA ALA 118 4.989 -5.852 7.486 911 1HB ALA 118 1HB ALA 118 4.286 -5.309 5.067 912 2HB ALA 118 2HB ALA 118 5.749 -4.327 5.029 913 3HB ALA 118 3HB ALA 118 4.487 -3.981 6.209 914 H ILE 119 H ILE 119 7.327 -6.270 4.814 915 HA ILE 119 HA ILE 119 6.272 -8.769 4.006 916 HB ILE 119 HB ILE 119 9.091 -7.859 3.496 917 1HG1 ILE 119 1HG1 ILE 119 7.027 -7.243 1.474 918 2HG1 ILE 119 2HG1 ILE 119 6.974 -6.258 2.933 919 1HG2 ILE 119 1HG2 ILE 119 8.658 -9.056 1.319 920 2HG2 ILE 119 2HG2 ILE 119 7.186 -9.686 2.060 921 3HG2 ILE 119 3HG2 ILE 119 8.760 -10.073 2.758 922 1HD1 ILE 119 1HD1 ILE 119 9.116 -5.412 2.572 923 2HD1 ILE 119 2HD1 ILE 119 8.366 -5.413 0.978 924 3HD1 ILE 119 3HD1 ILE 119 9.514 -6.678 1.411 925 H SER 120 H SER 120 8.735 -7.809 6.259 926 HA SER 120 HA SER 120 9.890 -10.376 6.615 927 1HB SER 120 1HB SER 120 10.702 -7.903 7.280 928 2HB SER 120 2HB SER 120 10.044 -8.412 8.834 929 HG SER 120 HG SER 120 11.400 -10.434 8.239 930 H HIS 121 H HIS 121 7.551 -8.488 8.523 931 HA HIS 121 HA HIS 121 7.195 -10.352 10.573 932 1HB HIS 121 1HB HIS 121 5.569 -8.093 9.498 933 2HB HIS 121 2HB HIS 121 4.813 -9.204 10.634 934 HD1 HIS 121 HD1 HIS 121 5.488 -6.161 11.210 935 HD2 HIS 121 HD2 HIS 121 7.711 -9.442 12.456 936 HE1 HIS 121 HE1 HIS 121 6.781 -5.373 13.216 937 HE2 HIS 121 HE2 HIS 121 8.186 -7.350 13.901 938 H TYR 122 H TYR 122 6.013 -10.311 7.338 939 HA TYR 122 HA TYR 122 3.818 -12.066 7.684 940 1HB TYR 122 1HB TYR 122 4.486 -10.508 5.670 941 2HB TYR 122 2HB TYR 122 5.345 -11.940 5.113 942 HD1 TYR 122 HD1 TYR 122 4.129 -12.717 3.291 943 HD2 TYR 122 HD2 TYR 122 2.061 -11.659 6.854 944 HE1 TYR 122 HE1 TYR 122 2.044 -13.602 2.336 945 HE2 TYR 122 HE2 TYR 122 -0.030 -12.539 5.910 946 HH TYR 122 HH TYR 122 -0.742 -14.149 4.192 947 H GLN 123 H GLN 123 7.150 -12.588 6.559 948 HA GLN 123 HA GLN 123 6.834 -15.423 6.435 949 1HB GLN 123 1HB GLN 123 8.547 -13.716 5.249 950 2HB GLN 123 2HB GLN 123 9.556 -14.269 6.579 951 1HG GLN 123 1HG GLN 123 8.156 -16.389 5.110 952 2HG GLN 123 2HG GLN 123 9.362 -15.498 4.184 953 1HE2 GLN 123 1HE2 GLN 123 9.262 -18.281 5.264 954 2HE2 GLN 123 2HE2 GLN 123 10.732 -18.464 6.152 955 H GLU 124 H GLU 124 8.343 -16.889 7.649 956 HA GLU 124 HA GLU 124 9.013 -17.819 9.613 957 1HB GLU 124 1HB GLU 124 9.835 -14.967 9.897 958 2HB GLU 124 2HB GLU 124 9.914 -15.997 11.320 959 1HG GLU 124 1HG GLU 124 11.276 -17.602 9.925 960 2HG GLU 124 2HG GLU 124 11.376 -16.320 8.719 Start of MODEL 25 1 1H MET 1 1H MET 1 13.551 -19.464 -6.370 2 2H MET 1 2H MET 1 13.598 -18.007 -5.467 3 3H MET 1 3H MET 1 13.862 -17.977 -7.161 4 HA MET 1 HA MET 1 11.729 -18.100 -7.662 5 1HB MET 1 1HB MET 1 11.335 -19.659 -5.096 6 2HB MET 1 2HB MET 1 10.094 -19.366 -6.306 7 1HG MET 1 1HG MET 1 11.859 -20.497 -7.897 8 2HG MET 1 2HG MET 1 12.430 -21.195 -6.383 9 1HE MET 1 1HE MET 1 10.531 -24.268 -7.658 10 2HE MET 1 2HE MET 1 12.059 -23.566 -7.127 11 3HE MET 1 3HE MET 1 11.407 -23.159 -8.714 12 H GLN 2 H GLN 2 13.148 -16.120 -6.072 13 HA GLN 2 HA GLN 2 11.597 -15.084 -3.983 14 1HB GLN 2 1HB GLN 2 13.876 -14.252 -5.554 15 2HB GLN 2 2HB GLN 2 12.804 -12.892 -5.254 16 1HG GLN 2 1HG GLN 2 13.585 -12.696 -3.202 17 2HG GLN 2 2HG GLN 2 13.092 -14.346 -2.832 18 1HE2 GLN 2 1HE2 GLN 2 15.083 -13.955 -1.438 19 2HE2 GLN 2 2HE2 GLN 2 16.595 -14.447 -2.114 20 H ARG 3 H ARG 3 10.199 -13.243 -3.937 21 HA ARG 3 HA ARG 3 9.103 -12.267 -6.406 22 1HB ARG 3 1HB ARG 3 7.859 -14.398 -5.957 23 2HB ARG 3 2HB ARG 3 7.261 -13.670 -4.472 24 1HG ARG 3 1HG ARG 3 5.629 -12.655 -5.572 25 2HG ARG 3 2HG ARG 3 6.786 -11.891 -6.665 26 1HD ARG 3 1HD ARG 3 6.810 -13.933 -8.035 27 2HD ARG 3 2HD ARG 3 5.618 -14.659 -6.961 28 HE ARG 3 HE ARG 3 5.165 -12.479 -8.861 29 1HH1 ARG 3 1HH1 ARG 3 3.870 -14.663 -6.457 30 2HH1 ARG 3 2HH1 ARG 3 2.226 -14.393 -6.925 31 1HH2 ARG 3 1HH2 ARG 3 3.001 -12.131 -9.470 32 2HH2 ARG 3 2HH2 ARG 3 1.733 -12.959 -8.630 33 H GLY 4 H GLY 4 10.209 -10.462 -5.280 34 1HA GLY 4 1HA GLY 4 8.632 -9.322 -3.081 35 2HA GLY 4 2HA GLY 4 10.245 -8.808 -3.561 36 H ILE 5 H ILE 5 6.865 -8.370 -3.999 37 HA ILE 5 HA ILE 5 7.415 -6.326 -6.052 38 HB ILE 5 HB ILE 5 4.721 -7.580 -5.649 39 1HG1 ILE 5 1HG1 ILE 5 5.955 -9.517 -6.137 40 2HG1 ILE 5 2HG1 ILE 5 5.339 -9.000 -7.699 41 1HG2 ILE 5 1HG2 ILE 5 5.503 -5.442 -7.112 42 2HG2 ILE 5 2HG2 ILE 5 4.095 -6.443 -7.473 43 3HG2 ILE 5 3HG2 ILE 5 5.622 -6.735 -8.304 44 1HD1 ILE 5 1HD1 ILE 5 7.996 -9.538 -6.957 45 2HD1 ILE 5 2HD1 ILE 5 7.894 -7.808 -7.287 46 3HD1 ILE 5 3HD1 ILE 5 7.386 -8.971 -8.510 47 H VAL 6 H VAL 6 7.328 -4.348 -5.175 48 HA VAL 6 HA VAL 6 5.351 -3.859 -3.053 49 HB VAL 6 HB VAL 6 7.740 -3.332 -2.485 50 1HG1 VAL 6 1HG1 VAL 6 8.757 -1.353 -3.433 51 2HG1 VAL 6 2HG1 VAL 6 7.385 -1.123 -4.498 52 3HG1 VAL 6 3HG1 VAL 6 8.433 -2.529 -4.698 53 1HG2 VAL 6 1HG2 VAL 6 5.448 -1.994 -1.843 54 2HG2 VAL 6 2HG2 VAL 6 6.489 -0.685 -2.401 55 3HG2 VAL 6 3HG2 VAL 6 7.017 -1.731 -1.083 56 H TRP 7 H TRP 7 3.554 -2.855 -3.675 57 HA TRP 7 HA TRP 7 3.720 -1.065 -6.004 58 1HB TRP 7 1HB TRP 7 1.564 -2.928 -5.068 59 2HB TRP 7 2HB TRP 7 1.145 -1.521 -6.049 60 HD1 TRP 7 HD1 TRP 7 4.470 -2.865 -6.994 61 HE1 TRP 7 HE1 TRP 7 4.318 -4.169 -9.199 62 HE3 TRP 7 HE3 TRP 7 -0.608 -3.296 -7.318 63 HZ2 TRP 7 HZ2 TRP 7 2.301 -5.268 -10.851 64 HZ3 TRP 7 HZ3 TRP 7 -1.573 -4.490 -9.239 65 HH2 TRP 7 HH2 TRP 7 -0.146 -5.457 -10.968 66 H VAL 8 H VAL 8 3.443 1.012 -5.649 67 HA VAL 8 HA VAL 8 2.216 1.855 -3.104 68 HB VAL 8 HB VAL 8 4.024 3.704 -4.554 69 1HG1 VAL 8 1HG1 VAL 8 3.505 3.044 -1.667 70 2HG1 VAL 8 2HG1 VAL 8 3.094 4.517 -2.536 71 3HG1 VAL 8 3HG1 VAL 8 4.780 4.135 -2.190 72 1HG2 VAL 8 1HG2 VAL 8 5.695 2.236 -4.720 73 2HG2 VAL 8 2HG2 VAL 8 4.866 1.047 -3.715 74 3HG2 VAL 8 3HG2 VAL 8 5.801 2.333 -2.962 75 H VAL 9 H VAL 9 0.633 3.345 -3.102 76 HA VAL 9 HA VAL 9 0.006 4.627 -5.672 77 HB VAL 9 HB VAL 9 -2.338 4.451 -3.976 78 1HG1 VAL 9 1HG1 VAL 9 -1.536 4.146 -6.757 79 2HG1 VAL 9 2HG1 VAL 9 -3.001 4.813 -6.081 80 3HG1 VAL 9 3HG1 VAL 9 -2.860 3.071 -6.308 81 1HG2 VAL 9 1HG2 VAL 9 -2.618 1.926 -4.609 82 2HG2 VAL 9 2HG2 VAL 9 -1.805 2.380 -3.120 83 3HG2 VAL 9 3HG2 VAL 9 -0.857 1.917 -4.529 84 H ASP 10 H ASP 10 0.354 6.713 -5.575 85 HA ASP 10 HA ASP 10 -0.725 8.408 -3.582 86 1HB ASP 10 1HB ASP 10 1.335 7.287 -2.485 87 2HB ASP 10 2HB ASP 10 2.275 8.357 -3.524 88 H ASP 11 H ASP 11 1.357 10.452 -3.935 89 HA ASP 11 HA ASP 11 0.356 11.631 -6.288 90 1HB ASP 11 1HB ASP 11 1.603 12.598 -4.091 91 2HB ASP 11 2HB ASP 11 2.921 12.671 -5.258 92 H ASP 12 H ASP 12 2.299 9.063 -6.254 93 HA ASP 12 HA ASP 12 3.897 8.164 -7.591 94 1HB ASP 12 1HB ASP 12 3.432 8.362 -9.954 95 2HB ASP 12 2HB ASP 12 1.907 8.336 -9.077 96 H SER 13 H SER 13 4.868 9.578 -10.093 97 HA SER 13 HA SER 13 6.919 10.467 -10.577 98 1HB SER 13 1HB SER 13 5.002 12.203 -10.615 99 2HB SER 13 2HB SER 13 5.856 12.923 -9.253 100 HG SER 13 HG SER 13 6.948 12.384 -11.816 101 H SER 14 H SER 14 6.561 12.557 -7.793 102 HA SER 14 HA SER 14 9.225 12.286 -7.004 103 1HB SER 14 1HB SER 14 6.772 13.443 -5.763 104 2HB SER 14 2HB SER 14 8.180 13.185 -4.732 105 HG SER 14 HG SER 14 9.356 14.357 -6.463 106 H ILE 15 H ILE 15 6.298 10.915 -5.478 107 HA ILE 15 HA ILE 15 7.675 9.409 -3.552 108 HB ILE 15 HB ILE 15 4.998 8.675 -4.721 109 1HG1 ILE 15 1HG1 ILE 15 5.051 11.083 -4.093 110 2HG1 ILE 15 2HG1 ILE 15 3.952 10.138 -3.094 111 1HG2 ILE 15 1HG2 ILE 15 5.896 8.346 -1.881 112 2HG2 ILE 15 2HG2 ILE 15 6.269 7.140 -3.114 113 3HG2 ILE 15 3HG2 ILE 15 4.591 7.523 -2.734 114 1HD1 ILE 15 1HD1 ILE 15 5.202 10.409 -1.222 115 2HD1 ILE 15 2HD1 ILE 15 5.610 11.903 -2.066 116 3HD1 ILE 15 3HD1 ILE 15 6.718 10.532 -2.114 117 H ARG 16 H ARG 16 6.840 8.750 -6.854 118 HA ARG 16 HA ARG 16 7.288 5.950 -6.819 119 1HB ARG 16 1HB ARG 16 5.978 7.074 -8.560 120 2HB ARG 16 2HB ARG 16 7.421 7.907 -9.113 121 1HG ARG 16 1HG ARG 16 8.403 5.597 -9.528 122 2HG ARG 16 2HG ARG 16 6.760 4.991 -9.324 123 1HD ARG 16 1HD ARG 16 6.386 5.458 -11.462 124 2HD ARG 16 2HD ARG 16 6.551 7.168 -11.070 125 HE ARG 16 HE ARG 16 9.077 5.907 -11.489 126 1HH1 ARG 16 1HH1 ARG 16 6.337 7.332 -13.115 127 2HH1 ARG 16 2HH1 ARG 16 7.230 7.720 -14.547 128 1HH2 ARG 16 1HH2 ARG 16 10.254 6.417 -13.366 129 2HH2 ARG 16 2HH2 ARG 16 9.457 7.198 -14.691 130 H TRP 17 H TRP 17 9.308 8.665 -7.848 131 HA TRP 17 HA TRP 17 11.531 7.173 -8.652 132 1HB TRP 17 1HB TRP 17 11.067 9.608 -9.122 133 2HB TRP 17 2HB TRP 17 11.602 9.951 -7.482 134 HD1 TRP 17 HD1 TRP 17 13.065 8.179 -10.622 135 HE1 TRP 17 HE1 TRP 17 15.566 8.772 -10.764 136 HE3 TRP 17 HE3 TRP 17 13.486 10.975 -6.359 137 HZ2 TRP 17 HZ2 TRP 17 17.463 10.233 -9.272 138 HZ3 TRP 17 HZ3 TRP 17 15.681 11.936 -5.791 139 HH2 TRP 17 HH2 TRP 17 17.627 11.567 -7.218 140 H VAL 18 H VAL 18 11.114 8.990 -5.604 141 HA VAL 18 HA VAL 18 13.476 8.159 -4.438 142 HB VAL 18 HB VAL 18 11.154 8.479 -2.614 143 1HG1 VAL 18 1HG1 VAL 18 12.698 9.357 -1.160 144 2HG1 VAL 18 2HG1 VAL 18 13.736 9.958 -2.452 145 3HG1 VAL 18 3HG1 VAL 18 13.703 8.235 -2.080 146 1HG2 VAL 18 1HG2 VAL 18 11.931 11.079 -3.045 147 2HG2 VAL 18 2HG2 VAL 18 10.438 10.339 -3.618 148 3HG2 VAL 18 3HG2 VAL 18 11.847 10.419 -4.678 149 H LEU 19 H LEU 19 10.347 6.567 -4.352 150 HA LEU 19 HA LEU 19 11.313 4.532 -2.587 151 1HB LEU 19 1HB LEU 19 8.848 5.554 -3.019 152 2HB LEU 19 2HB LEU 19 8.748 4.063 -3.937 153 HG LEU 19 HG LEU 19 9.287 2.761 -1.962 154 1HD1 LEU 19 1HD1 LEU 19 9.369 3.978 0.252 155 2HD1 LEU 19 2HD1 LEU 19 9.617 5.456 -0.678 156 3HD1 LEU 19 3HD1 LEU 19 10.788 4.142 -0.780 157 1HD2 LEU 19 1HD2 LEU 19 7.225 2.933 -0.933 158 2HD2 LEU 19 2HD2 LEU 19 6.927 3.738 -2.476 159 3HD2 LEU 19 3HD2 LEU 19 7.214 4.694 -1.024 160 H GLU 20 H GLU 20 11.019 4.824 -6.023 161 HA GLU 20 HA GLU 20 10.898 2.056 -6.552 162 1HB GLU 20 1HB GLU 20 11.418 2.566 -8.829 163 2HB GLU 20 2HB GLU 20 10.282 3.750 -8.214 164 1HG GLU 20 1HG GLU 20 12.186 5.298 -7.894 165 2HG GLU 20 2HG GLU 20 13.222 4.112 -8.680 166 H ARG 21 H ARG 21 13.725 4.229 -6.900 167 HA ARG 21 HA ARG 21 15.514 2.231 -7.444 168 1HB ARG 21 1HB ARG 21 16.109 4.820 -6.070 169 2HB ARG 21 2HB ARG 21 17.293 3.777 -6.844 170 1HG ARG 21 1HG ARG 21 16.931 5.223 -8.550 171 2HG ARG 21 2HG ARG 21 15.626 4.072 -8.871 172 1HD ARG 21 1HD ARG 21 14.637 6.174 -8.978 173 2HD ARG 21 2HD ARG 21 14.184 5.449 -7.442 174 HE ARG 21 HE ARG 21 15.990 7.723 -7.833 175 1HH1 ARG 21 1HH1 ARG 21 14.368 5.559 -5.610 176 2HH1 ARG 21 2HH1 ARG 21 14.701 6.543 -4.227 177 1HH2 ARG 21 1HH2 ARG 21 16.373 9.029 -5.993 178 2HH2 ARG 21 2HH2 ARG 21 15.808 8.501 -4.442 179 H ALA 22 H ALA 22 15.335 3.963 -4.336 180 HA ALA 22 HA ALA 22 17.004 2.380 -2.862 181 1HB ALA 22 1HB ALA 22 15.955 3.236 -0.879 182 2HB ALA 22 2HB ALA 22 14.495 3.647 -1.780 183 3HB ALA 22 3HB ALA 22 16.000 4.511 -2.096 184 H LEU 23 H LEU 23 13.728 1.671 -3.779 185 HA LEU 23 HA LEU 23 13.505 -0.550 -1.968 186 1HB LEU 23 1HB LEU 23 11.584 0.835 -2.838 187 2HB LEU 23 2HB LEU 23 11.787 0.009 -4.372 188 HG LEU 23 HG LEU 23 9.983 -0.833 -2.785 189 1HD1 LEU 23 1HD1 LEU 23 11.887 -3.005 -3.543 190 2HD1 LEU 23 2HD1 LEU 23 11.118 -2.023 -4.788 191 3HD1 LEU 23 3HD1 LEU 23 10.130 -2.960 -3.668 192 1HD2 LEU 23 1HD2 LEU 23 12.359 -2.081 -1.419 193 2HD2 LEU 23 2HD2 LEU 23 10.658 -2.366 -1.053 194 3HD2 LEU 23 3HD2 LEU 23 11.370 -0.781 -0.751 195 H ALA 24 H ALA 24 14.450 -0.021 -5.263 196 HA ALA 24 HA ALA 24 14.429 -2.723 -6.107 197 1HB ALA 24 1HB ALA 24 15.765 -2.000 -7.975 198 2HB ALA 24 2HB ALA 24 16.223 -0.519 -7.133 199 3HB ALA 24 3HB ALA 24 14.555 -0.759 -7.651 200 H GLY 25 H GLY 25 16.673 -0.718 -4.330 201 1HA GLY 25 1HA GLY 25 18.935 -2.422 -4.490 202 2HA GLY 25 2HA GLY 25 18.637 -1.212 -3.246 203 H ALA 26 H ALA 26 16.018 -2.473 -2.608 204 HA ALA 26 HA ALA 26 16.973 -4.295 -0.627 205 1HB ALA 26 1HB ALA 26 15.228 -2.966 0.140 206 2HB ALA 26 2HB ALA 26 14.437 -4.508 -0.185 207 3HB ALA 26 3HB ALA 26 14.289 -3.181 -1.337 208 H GLY 27 H GLY 27 15.927 -4.577 -3.850 209 1HA GLY 27 1HA GLY 27 16.175 -6.591 -5.063 210 2HA GLY 27 2HA GLY 27 15.937 -7.487 -3.574 211 H LEU 28 H LEU 28 13.717 -4.908 -4.429 212 HA LEU 28 HA LEU 28 11.829 -6.937 -5.330 213 1HB LEU 28 1HB LEU 28 10.687 -4.751 -3.729 214 2HB LEU 28 2HB LEU 28 10.230 -6.434 -3.815 215 HG LEU 28 HG LEU 28 12.557 -6.711 -2.534 216 1HD1 LEU 28 1HD1 LEU 28 12.549 -4.866 -0.772 217 2HD1 LEU 28 2HD1 LEU 28 11.619 -3.937 -1.944 218 3HD1 LEU 28 3HD1 LEU 28 13.242 -4.490 -2.352 219 1HD2 LEU 28 1HD2 LEU 28 9.825 -6.821 -1.908 220 2HD2 LEU 28 2HD2 LEU 28 10.599 -5.952 -0.582 221 3HD2 LEU 28 3HD2 LEU 28 11.164 -7.561 -1.031 222 H THR 29 H THR 29 9.808 -5.921 -6.278 223 HA THR 29 HA THR 29 10.676 -3.857 -8.167 224 HB THR 29 HB THR 29 8.403 -5.843 -8.184 225 HG1 THR 29 HG1 THR 29 10.824 -5.541 -9.560 226 1HG2 THR 29 1HG2 THR 29 8.081 -5.009 -10.579 227 2HG2 THR 29 2HG2 THR 29 8.859 -3.529 -10.020 228 3HG2 THR 29 3HG2 THR 29 7.362 -4.077 -9.266 229 H CYS 30 H CYS 30 10.162 -1.819 -7.742 230 HA CYS 30 HA CYS 30 7.731 -1.274 -6.184 231 1HB CYS 30 1HB CYS 30 9.780 -0.557 -5.082 232 2HB CYS 30 2HB CYS 30 10.231 0.379 -6.500 233 HG CYS 30 HG CYS 30 7.630 1.202 -5.059 234 H THR 31 H THR 31 6.102 -0.626 -7.293 235 HA THR 31 HA THR 31 6.534 1.259 -9.510 236 HB THR 31 HB THR 31 5.776 -1.159 -10.146 237 HG1 THR 31 HG1 THR 31 5.302 1.144 -11.225 238 1HG2 THR 31 1HG2 THR 31 3.161 -0.060 -9.183 239 2HG2 THR 31 2HG2 THR 31 4.064 -1.362 -8.421 240 3HG2 THR 31 3HG2 THR 31 3.413 -1.576 -10.047 241 H THR 32 H THR 32 4.759 2.788 -9.771 242 HA THR 32 HA THR 32 3.099 3.025 -7.370 243 HB THR 32 HB THR 32 3.474 5.429 -7.339 244 HG1 THR 32 HG1 THR 32 4.814 4.857 -9.715 245 1HG2 THR 32 1HG2 THR 32 5.154 3.654 -6.348 246 2HG2 THR 32 2HG2 THR 32 5.486 5.387 -6.294 247 3HG2 THR 32 3HG2 THR 32 6.235 4.380 -7.536 248 H PHE 33 H PHE 33 1.284 4.543 -7.610 249 HA PHE 33 HA PHE 33 0.257 4.705 -10.340 250 1HB PHE 33 1HB PHE 33 -1.336 3.619 -8.037 251 2HB PHE 33 2HB PHE 33 -1.902 3.849 -9.674 252 HD1 PHE 33 HD1 PHE 33 -1.998 1.990 -11.004 253 HD2 PHE 33 HD2 PHE 33 0.887 2.127 -7.879 254 HE1 PHE 33 HE1 PHE 33 -1.317 -0.306 -11.543 255 HE2 PHE 33 HE2 PHE 33 1.580 -0.170 -8.413 256 HZ PHE 33 HZ PHE 33 0.478 -1.391 -10.253 257 H GLU 34 H GLU 34 -1.944 5.921 -10.293 258 HA GLU 34 HA GLU 34 -1.426 8.554 -9.597 259 1HB GLU 34 1HB GLU 34 -3.831 8.942 -10.134 260 2HB GLU 34 2HB GLU 34 -2.954 8.030 -11.357 261 1HG GLU 34 1HG GLU 34 -4.725 6.664 -11.268 262 2HG GLU 34 2HG GLU 34 -3.917 6.018 -9.844 263 H ASN 35 H ASN 35 -3.854 6.416 -7.964 264 HA ASN 35 HA ASN 35 -3.309 7.811 -5.509 265 1HB ASN 35 1HB ASN 35 -5.010 9.190 -6.742 266 2HB ASN 35 2HB ASN 35 -6.120 7.832 -6.573 267 1HD2 ASN 35 1HD2 ASN 35 -3.985 9.894 -4.645 268 2HD2 ASN 35 2HD2 ASN 35 -5.030 9.989 -3.274 269 H GLY 36 H GLY 36 -5.258 5.389 -7.138 270 1HA GLY 36 1HA GLY 36 -4.672 3.372 -5.304 271 2HA GLY 36 2HA GLY 36 -6.176 4.113 -4.788 272 H ASN 37 H ASN 37 -7.527 4.577 -7.077 273 HA ASN 37 HA ASN 37 -8.579 2.081 -7.696 274 1HB ASN 37 1HB ASN 37 -9.061 4.803 -8.484 275 2HB ASN 37 2HB ASN 37 -9.199 3.732 -9.876 276 1HD2 ASN 37 1HD2 ASN 37 -9.921 3.090 -6.474 277 2HD2 ASN 37 2HD2 ASN 37 -11.594 2.730 -6.710 278 H GLU 38 H GLU 38 -5.905 3.787 -9.088 279 HA GLU 38 HA GLU 38 -5.748 2.433 -11.543 280 1HB GLU 38 1HB GLU 38 -4.356 4.435 -10.443 281 2HB GLU 38 2HB GLU 38 -3.229 3.122 -10.160 282 1HG GLU 38 1HG GLU 38 -2.502 3.857 -12.188 283 2HG GLU 38 2HG GLU 38 -3.649 2.618 -12.692 284 H VAL 39 H VAL 39 -4.014 1.732 -8.453 285 HA VAL 39 HA VAL 39 -2.739 -0.590 -9.280 286 HB VAL 39 HB VAL 39 -3.903 -0.054 -6.541 287 1HG1 VAL 39 1HG1 VAL 39 -3.185 -2.444 -7.150 288 2HG1 VAL 39 2HG1 VAL 39 -2.523 -1.731 -5.680 289 3HG1 VAL 39 3HG1 VAL 39 -1.546 -1.800 -7.145 290 1HG2 VAL 39 1HG2 VAL 39 -1.076 0.371 -7.424 291 2HG2 VAL 39 2HG2 VAL 39 -1.861 0.943 -5.964 292 3HG2 VAL 39 3HG2 VAL 39 -2.288 1.645 -7.523 293 H LEU 40 H LEU 40 -6.005 -0.215 -7.997 294 HA LEU 40 HA LEU 40 -6.750 -2.856 -7.723 295 1HB LEU 40 1HB LEU 40 -8.619 -0.777 -8.816 296 2HB LEU 40 2HB LEU 40 -8.989 -2.125 -7.756 297 HG LEU 40 HG LEU 40 -7.442 0.354 -7.001 298 1HD1 LEU 40 1HD1 LEU 40 -10.186 -0.039 -7.185 299 2HD1 LEU 40 2HD1 LEU 40 -9.347 1.249 -6.323 300 3HD1 LEU 40 3HD1 LEU 40 -9.804 -0.217 -5.477 301 1HD2 LEU 40 1HD2 LEU 40 -6.545 -0.894 -5.393 302 2HD2 LEU 40 2HD2 LEU 40 -7.565 -2.273 -5.802 303 3HD2 LEU 40 3HD2 LEU 40 -8.164 -1.029 -4.707 304 H ALA 41 H ALA 41 -6.846 -0.849 -10.648 305 HA ALA 41 HA ALA 41 -8.071 -2.788 -12.294 306 1HB ALA 41 1HB ALA 41 -6.192 -0.690 -13.319 307 2HB ALA 41 2HB ALA 41 -7.816 -0.292 -12.757 308 3HB ALA 41 3HB ALA 41 -7.599 -1.394 -14.115 309 H ALA 42 H ALA 42 -4.710 -1.868 -11.847 310 HA ALA 42 HA ALA 42 -3.612 -3.790 -13.598 311 1HB ALA 42 1HB ALA 42 -1.642 -2.844 -13.090 312 2HB ALA 42 2HB ALA 42 -1.901 -3.005 -11.353 313 3HB ALA 42 3HB ALA 42 -2.612 -1.649 -12.229 314 H LEU 43 H LEU 43 -4.592 -3.859 -10.263 315 HA LEU 43 HA LEU 43 -3.229 -6.147 -9.410 316 1HB LEU 43 1HB LEU 43 -5.611 -4.620 -8.520 317 2HB LEU 43 2HB LEU 43 -5.436 -6.252 -7.906 318 HG LEU 43 HG LEU 43 -3.265 -4.195 -7.653 319 1HD1 LEU 43 1HD1 LEU 43 -4.880 -4.936 -5.299 320 2HD1 LEU 43 2HD1 LEU 43 -5.675 -3.892 -6.475 321 3HD1 LEU 43 3HD1 LEU 43 -4.158 -3.387 -5.734 322 1HD2 LEU 43 1HD2 LEU 43 -2.723 -5.803 -5.730 323 2HD2 LEU 43 2HD2 LEU 43 -2.353 -6.316 -7.377 324 3HD2 LEU 43 3HD2 LEU 43 -3.797 -6.927 -6.565 325 H ALA 44 H ALA 44 -5.941 -5.785 -11.490 326 HA ALA 44 HA ALA 44 -7.180 -8.281 -11.101 327 1HB ALA 44 1HB ALA 44 -8.068 -7.892 -13.441 328 2HB ALA 44 2HB ALA 44 -7.133 -6.397 -13.444 329 3HB ALA 44 3HB ALA 44 -8.414 -6.634 -12.255 330 H SER 45 H SER 45 -4.174 -7.498 -12.490 331 HA SER 45 HA SER 45 -4.042 -10.127 -13.752 332 1HB SER 45 1HB SER 45 -3.873 -8.577 -15.523 333 2HB SER 45 2HB SER 45 -2.806 -7.520 -14.600 334 HG SER 45 HG SER 45 -2.137 -10.145 -15.444 335 H LYS 46 H LYS 46 -2.921 -8.352 -11.160 336 HA LYS 46 HA LYS 46 -0.911 -10.300 -10.579 337 1HB LYS 46 1HB LYS 46 0.086 -8.373 -12.102 338 2HB LYS 46 2HB LYS 46 0.178 -7.531 -10.562 339 1HG LYS 46 1HG LYS 46 1.245 -10.018 -10.005 340 2HG LYS 46 2HG LYS 46 1.840 -9.657 -11.624 341 1HD LYS 46 1HD LYS 46 2.028 -7.338 -9.909 342 2HD LYS 46 2HD LYS 46 2.864 -8.720 -9.201 343 1HE LYS 46 1HE LYS 46 3.531 -8.710 -11.933 344 2HE LYS 46 2HE LYS 46 3.658 -7.038 -11.387 345 1HZ LYS 46 1HZ LYS 46 5.635 -8.743 -11.140 346 2HZ LYS 46 2HZ LYS 46 4.838 -9.104 -9.692 347 3HZ LYS 46 3HZ LYS 46 5.363 -7.525 -9.997 348 H THR 47 H THR 47 0.151 -9.869 -8.446 349 HA THR 47 HA THR 47 -1.415 -8.141 -6.715 350 HB THR 47 HB THR 47 -0.850 -11.053 -6.160 351 HG1 THR 47 HG1 THR 47 -3.085 -11.258 -6.282 352 1HG2 THR 47 1HG2 THR 47 -0.773 -9.635 -4.122 353 2HG2 THR 47 2HG2 THR 47 -2.068 -10.833 -4.128 354 3HG2 THR 47 3HG2 THR 47 -2.430 -9.140 -4.465 355 HA PRO 48 HA PRO 48 2.837 -7.303 -5.492 356 1HB PRO 48 1HB PRO 48 2.291 -5.180 -3.913 357 2HB PRO 48 2HB PRO 48 2.306 -5.070 -5.677 358 1HG PRO 48 1HG PRO 48 -0.020 -5.332 -3.815 359 2HG PRO 48 2HG PRO 48 0.155 -4.307 -5.251 360 1HD PRO 48 1HD PRO 48 -1.197 -6.669 -5.256 361 2HD PRO 48 2HD PRO 48 -0.378 -6.017 -6.687 362 H ASP 49 H ASP 49 4.057 -7.757 -3.678 363 HA ASP 49 HA ASP 49 2.762 -9.298 -1.631 364 1HB ASP 49 1HB ASP 49 5.660 -8.482 -1.927 365 2HB ASP 49 2HB ASP 49 5.046 -9.650 -0.760 366 H VAL 50 H VAL 50 3.719 -6.023 -1.975 367 HA VAL 50 HA VAL 50 2.794 -5.467 0.724 368 HB VAL 50 HB VAL 50 5.140 -5.697 1.146 369 1HG1 VAL 50 1HG1 VAL 50 6.787 -5.169 -0.265 370 2HG1 VAL 50 2HG1 VAL 50 6.104 -3.584 -0.616 371 3HG1 VAL 50 3HG1 VAL 50 5.510 -5.007 -1.469 372 1HG2 VAL 50 1HG2 VAL 50 4.210 -3.897 2.363 373 2HG2 VAL 50 2HG2 VAL 50 4.268 -2.824 0.963 374 3HG2 VAL 50 3HG2 VAL 50 5.760 -3.333 1.749 375 H LEU 51 H LEU 51 1.060 -4.381 -0.096 376 HA LEU 51 HA LEU 51 1.419 -2.352 -2.121 377 1HB LEU 51 1HB LEU 51 -0.540 -3.985 -1.919 378 2HB LEU 51 2HB LEU 51 -1.116 -2.953 -0.628 379 HG LEU 51 HG LEU 51 -1.395 -1.099 -2.141 380 1HD1 LEU 51 1HD1 LEU 51 -0.124 -0.880 -3.946 381 2HD1 LEU 51 2HD1 LEU 51 -0.923 -2.274 -4.674 382 3HD1 LEU 51 3HD1 LEU 51 0.522 -2.501 -3.696 383 1HD2 LEU 51 1HD2 LEU 51 -3.255 -2.613 -2.081 384 2HD2 LEU 51 2HD2 LEU 51 -2.482 -3.682 -3.251 385 3HD2 LEU 51 3HD2 LEU 51 -3.028 -2.080 -3.747 386 H LEU 52 H LEU 52 0.832 -0.197 -1.924 387 HA LEU 52 HA LEU 52 0.598 0.911 0.778 388 1HB LEU 52 1HB LEU 52 2.589 1.668 -1.340 389 2HB LEU 52 2HB LEU 52 2.144 2.783 -0.070 390 HG LEU 52 HG LEU 52 3.194 0.071 0.641 391 1HD1 LEU 52 1HD1 LEU 52 5.441 1.518 0.798 392 2HD1 LEU 52 2HD1 LEU 52 4.714 2.283 -0.614 393 3HD1 LEU 52 3HD1 LEU 52 5.023 0.549 -0.618 394 1HD2 LEU 52 1HD2 LEU 52 3.981 2.504 2.082 395 2HD2 LEU 52 2HD2 LEU 52 3.453 0.943 2.699 396 3HD2 LEU 52 3HD2 LEU 52 2.260 2.120 2.138 397 H SER 53 H SER 53 -1.298 2.055 0.767 398 HA SER 53 HA SER 53 -2.214 3.168 -1.794 399 1HB SER 53 1HB SER 53 -3.511 1.825 0.423 400 2HB SER 53 2HB SER 53 -4.347 3.309 -0.030 401 HG SER 53 HG SER 53 -4.832 1.201 -1.176 402 H ASP 54 H ASP 54 -2.820 5.232 -2.107 403 HA ASP 54 HA ASP 54 -1.720 7.265 -0.463 404 1HB ASP 54 1HB ASP 54 -1.960 7.420 -2.939 405 2HB ASP 54 2HB ASP 54 -3.694 7.584 -2.718 406 H ILE 55 H ILE 55 -4.905 5.897 -0.707 407 HA ILE 55 HA ILE 55 -6.908 6.416 0.290 408 HB ILE 55 HB ILE 55 -5.852 5.499 2.205 409 1HG1 ILE 55 1HG1 ILE 55 -7.124 8.146 2.931 410 2HG1 ILE 55 2HG1 ILE 55 -7.917 6.590 2.794 411 1HG2 ILE 55 1HG2 ILE 55 -4.435 8.132 2.459 412 2HG2 ILE 55 2HG2 ILE 55 -3.728 6.538 2.190 413 3HG2 ILE 55 3HG2 ILE 55 -4.467 6.929 3.741 414 1HD1 ILE 55 1HD1 ILE 55 -7.716 6.581 5.015 415 2HD1 ILE 55 2HD1 ILE 55 -6.375 7.728 5.003 416 3HD1 ILE 55 3HD1 ILE 55 -6.080 6.022 4.666 417 H ARG 56 H ARG 56 -7.423 8.224 -1.133 418 HA ARG 56 HA ARG 56 -7.994 10.606 0.304 419 1HB ARG 56 1HB ARG 56 -5.551 10.899 -0.148 420 2HB ARG 56 2HB ARG 56 -5.927 10.920 -1.866 421 1HG ARG 56 1HG ARG 56 -7.625 12.796 -0.583 422 2HG ARG 56 2HG ARG 56 -5.979 13.064 -0.009 423 1HD ARG 56 1HD ARG 56 -5.539 14.145 -1.900 424 2HD ARG 56 2HD ARG 56 -5.782 12.638 -2.779 425 HE ARG 56 HE ARG 56 -7.940 13.323 -3.339 426 1HH1 ARG 56 1HH1 ARG 56 -6.354 15.692 -1.312 427 2HH1 ARG 56 2HH1 ARG 56 -7.497 16.940 -1.674 428 1HH2 ARG 56 1HH2 ARG 56 -9.439 14.967 -3.804 429 2HH2 ARG 56 2HH2 ARG 56 -9.248 16.529 -3.079 430 H MET 57 H MET 57 -10.055 10.448 -0.435 431 HA MET 57 HA MET 57 -11.850 10.718 -1.785 432 1HB MET 57 1HB MET 57 -10.248 12.793 -2.266 433 2HB MET 57 2HB MET 57 -10.270 12.098 -3.882 434 1HG MET 57 1HG MET 57 -12.516 12.493 -4.169 435 2HG MET 57 2HG MET 57 -12.839 12.531 -2.438 436 1HE MET 57 1HE MET 57 -13.091 14.541 -1.096 437 2HE MET 57 2HE MET 57 -14.270 14.757 -2.390 438 3HE MET 57 3HE MET 57 -13.287 16.120 -1.854 439 HA PRO 58 HA PRO 58 -10.513 7.631 -5.050 440 1HB PRO 58 1HB PRO 58 -10.435 5.292 -3.757 441 2HB PRO 58 2HB PRO 58 -9.057 6.397 -3.735 442 1HG PRO 58 1HG PRO 58 -11.039 5.805 -1.603 443 2HG PRO 58 2HG PRO 58 -9.339 6.279 -1.463 444 1HD PRO 58 1HD PRO 58 -11.624 7.947 -1.214 445 2HD PRO 58 2HD PRO 58 -9.926 8.449 -1.244 446 H GLY 59 H GLY 59 -12.534 6.520 -2.352 447 1HA GLY 59 1HA GLY 59 -14.916 6.487 -3.993 448 2HA GLY 59 2HA GLY 59 -14.360 4.915 -3.433 449 H MET 60 H MET 60 -13.288 6.433 -0.984 450 HA MET 60 HA MET 60 -15.625 7.314 0.408 451 1HB MET 60 1HB MET 60 -15.687 4.746 0.470 452 2HB MET 60 2HB MET 60 -14.282 4.859 1.521 453 1HG MET 60 1HG MET 60 -16.082 4.677 2.979 454 2HG MET 60 2HG MET 60 -15.702 6.398 2.974 455 1HE MET 60 1HE MET 60 -19.444 5.447 3.537 456 2HE MET 60 2HE MET 60 -18.849 7.100 3.695 457 3HE MET 60 3HE MET 60 -17.874 5.751 4.278 458 H ASP 61 H ASP 61 -14.003 9.036 0.243 459 HA ASP 61 HA ASP 61 -12.626 10.516 1.251 460 1HB ASP 61 1HB ASP 61 -13.700 9.020 3.371 461 2HB ASP 61 2HB ASP 61 -11.974 9.148 3.700 462 H GLY 62 H GLY 62 -11.608 7.157 1.310 463 1HA GLY 62 1HA GLY 62 -9.256 7.351 0.042 464 2HA GLY 62 2HA GLY 62 -8.837 7.869 1.660 465 H LEU 63 H LEU 63 -10.716 6.142 2.980 466 HA LEU 63 HA LEU 63 -9.058 3.842 3.137 467 1HB LEU 63 1HB LEU 63 -11.684 4.522 4.431 468 2HB LEU 63 2HB LEU 63 -10.824 3.024 4.741 469 HG LEU 63 HG LEU 63 -8.842 4.742 5.248 470 1HD1 LEU 63 1HD1 LEU 63 -9.823 6.645 6.540 471 2HD1 LEU 63 2HD1 LEU 63 -11.377 6.258 5.801 472 3HD1 LEU 63 3HD1 LEU 63 -10.017 6.749 4.790 473 1HD2 LEU 63 1HD2 LEU 63 -10.122 2.958 6.679 474 2HD2 LEU 63 2HD2 LEU 63 -10.856 4.382 7.411 475 3HD2 LEU 63 3HD2 LEU 63 -9.104 4.175 7.450 476 H ALA 64 H ALA 64 -11.956 4.631 1.396 477 HA ALA 64 HA ALA 64 -13.020 2.094 0.934 478 1HB ALA 64 1HB ALA 64 -14.422 3.373 -0.222 479 2HB ALA 64 2HB ALA 64 -13.215 3.478 -1.504 480 3HB ALA 64 3HB ALA 64 -13.259 4.697 -0.233 481 H LEU 65 H LEU 65 -10.178 3.644 -0.316 482 HA LEU 65 HA LEU 65 -9.529 2.218 -2.565 483 1HB LEU 65 1HB LEU 65 -8.276 4.025 -0.981 484 2HB LEU 65 2HB LEU 65 -7.345 2.588 -0.612 485 HG LEU 65 HG LEU 65 -7.762 3.716 -3.378 486 1HD1 LEU 65 1HD1 LEU 65 -6.409 5.194 -2.009 487 2HD1 LEU 65 2HD1 LEU 65 -5.399 4.372 -3.196 488 3HD1 LEU 65 3HD1 LEU 65 -5.394 3.840 -1.520 489 1HD2 LEU 65 1HD2 LEU 65 -7.038 1.741 -4.101 490 2HD2 LEU 65 2HD2 LEU 65 -6.865 1.157 -2.446 491 3HD2 LEU 65 3HD2 LEU 65 -5.530 2.004 -3.227 492 H LEU 66 H LEU 66 -8.747 1.386 0.789 493 HA LEU 66 HA LEU 66 -7.552 -1.094 0.328 494 1HB LEU 66 1HB LEU 66 -7.926 0.451 2.480 495 2HB LEU 66 2HB LEU 66 -9.203 -0.712 2.765 496 HG LEU 66 HG LEU 66 -7.159 -1.288 3.963 497 1HD1 LEU 66 1HD1 LEU 66 -8.753 -3.020 3.007 498 2HD1 LEU 66 2HD1 LEU 66 -7.144 -3.573 3.473 499 3HD1 LEU 66 3HD1 LEU 66 -7.524 -3.302 1.773 500 1HD2 LEU 66 1HD2 LEU 66 -5.120 -1.279 3.079 501 2HD2 LEU 66 2HD2 LEU 66 -5.839 -0.422 1.714 502 3HD2 LEU 66 3HD2 LEU 66 -5.639 -2.173 1.650 503 H LYS 67 H LYS 67 -10.903 -0.331 1.250 504 HA LYS 67 HA LYS 67 -12.068 -2.776 1.379 505 1HB LYS 67 1HB LYS 67 -13.181 -0.534 1.650 506 2HB LYS 67 2HB LYS 67 -13.298 -0.463 -0.106 507 1HG LYS 67 1HG LYS 67 -15.357 -1.300 0.383 508 2HG LYS 67 2HG LYS 67 -14.457 -2.808 0.217 509 1HD LYS 67 1HD LYS 67 -14.962 -3.363 2.309 510 2HD LYS 67 2HD LYS 67 -14.194 -1.890 2.902 511 1HE LYS 67 1HE LYS 67 -16.682 -1.127 1.820 512 2HE LYS 67 2HE LYS 67 -16.974 -2.568 2.793 513 1HZ LYS 67 1HZ LYS 67 -15.420 -0.262 3.810 514 2HZ LYS 67 2HZ LYS 67 -16.105 -1.532 4.693 515 3HZ LYS 67 3HZ LYS 67 -17.100 -0.365 3.981 516 H GLN 68 H GLN 68 -11.213 -1.026 -1.539 517 HA GLN 68 HA GLN 68 -12.449 -2.829 -3.352 518 1HB GLN 68 1HB GLN 68 -10.260 -0.788 -3.741 519 2HB GLN 68 2HB GLN 68 -11.029 -1.666 -5.055 520 1HG GLN 68 1HG GLN 68 -12.359 0.261 -3.163 521 2HG GLN 68 2HG GLN 68 -11.967 0.547 -4.861 522 1HE2 GLN 68 1HE2 GLN 68 -13.082 -0.695 -6.456 523 2HE2 GLN 68 2HE2 GLN 68 -14.663 -1.311 -6.132 524 H ILE 69 H ILE 69 -9.199 -2.540 -2.011 525 HA ILE 69 HA ILE 69 -7.945 -4.416 -3.684 526 HB ILE 69 HB ILE 69 -7.172 -3.754 -0.847 527 1HG1 ILE 69 1HG1 ILE 69 -5.964 -2.462 -3.268 528 2HG1 ILE 69 2HG1 ILE 69 -7.477 -1.840 -2.617 529 1HG2 ILE 69 1HG2 ILE 69 -5.621 -5.315 -1.198 530 2HG2 ILE 69 2HG2 ILE 69 -4.886 -4.189 -2.338 531 3HG2 ILE 69 3HG2 ILE 69 -6.005 -5.424 -2.915 532 1HD1 ILE 69 1HD1 ILE 69 -4.778 -1.474 -1.679 533 2HD1 ILE 69 2HD1 ILE 69 -5.829 -2.093 -0.404 534 3HD1 ILE 69 3HD1 ILE 69 -6.251 -0.604 -1.253 535 H LYS 70 H LYS 70 -9.702 -4.792 -0.686 536 HA LYS 70 HA LYS 70 -8.996 -7.518 -0.305 537 1HB LYS 70 1HB LYS 70 -10.688 -7.526 1.440 538 2HB LYS 70 2HB LYS 70 -9.711 -6.068 1.549 539 1HG LYS 70 1HG LYS 70 -11.743 -5.117 1.782 540 2HG LYS 70 2HG LYS 70 -11.655 -5.122 0.023 541 1HD LYS 70 1HD LYS 70 -13.659 -6.135 0.160 542 2HD LYS 70 2HD LYS 70 -12.697 -7.579 0.482 543 1HE LYS 70 1HE LYS 70 -13.471 -7.731 2.565 544 2HE LYS 70 2HE LYS 70 -13.136 -6.029 2.884 545 1HZ LYS 70 1HZ LYS 70 -15.246 -5.450 2.470 546 2HZ LYS 70 2HZ LYS 70 -15.590 -7.079 2.771 547 3HZ LYS 70 3HZ LYS 70 -15.422 -6.532 1.180 548 H GLN 71 H GLN 71 -11.500 -5.837 -2.016 549 HA GLN 71 HA GLN 71 -13.323 -7.946 -2.312 550 1HB GLN 71 1HB GLN 71 -12.912 -5.314 -3.522 551 2HB GLN 71 2HB GLN 71 -13.645 -6.484 -4.612 552 1HG GLN 71 1HG GLN 71 -15.559 -6.642 -3.388 553 2HG GLN 71 2HG GLN 71 -14.751 -6.259 -1.870 554 1HE2 GLN 71 1HE2 GLN 71 -13.684 -3.933 -2.062 555 2HE2 GLN 71 2HE2 GLN 71 -14.792 -2.703 -2.552 556 H ARG 72 H ARG 72 -10.565 -6.963 -4.227 557 HA ARG 72 HA ARG 72 -10.927 -9.264 -5.996 558 1HB ARG 72 1HB ARG 72 -9.048 -6.904 -6.162 559 2HB ARG 72 2HB ARG 72 -9.066 -8.234 -7.312 560 1HG ARG 72 1HG ARG 72 -11.403 -7.691 -7.866 561 2HG ARG 72 2HG ARG 72 -11.319 -6.314 -6.767 562 1HD ARG 72 1HD ARG 72 -9.094 -6.023 -8.398 563 2HD ARG 72 2HD ARG 72 -10.362 -6.580 -9.488 564 HE ARG 72 HE ARG 72 -10.966 -4.356 -7.695 565 1HH1 ARG 72 1HH1 ARG 72 -10.261 -5.460 -10.937 566 2HH1 ARG 72 2HH1 ARG 72 -10.856 -4.017 -11.684 567 1HH2 ARG 72 1HH2 ARG 72 -11.739 -2.463 -8.684 568 2HH2 ARG 72 2HH2 ARG 72 -11.682 -2.313 -10.409 569 H HIS 73 H HIS 73 -9.011 -8.150 -3.374 570 HA HIS 73 HA HIS 73 -7.576 -10.681 -3.348 571 1HB HIS 73 1HB HIS 73 -6.084 -8.073 -3.049 572 2HB HIS 73 2HB HIS 73 -5.407 -9.698 -3.136 573 HD1 HIS 73 HD1 HIS 73 -5.479 -10.869 -5.499 574 HD2 HIS 73 HD2 HIS 73 -6.594 -6.870 -5.472 575 HE1 HIS 73 HE1 HIS 73 -5.415 -10.146 -7.903 576 HE2 HIS 73 HE2 HIS 73 -6.340 -7.806 -7.872 577 HA PRO 74 HA PRO 74 -9.052 -9.479 0.836 578 1HB PRO 74 1HB PRO 74 -9.940 -11.922 1.541 579 2HB PRO 74 2HB PRO 74 -10.899 -10.823 0.542 580 1HG PRO 74 1HG PRO 74 -9.226 -13.161 -0.285 581 2HG PRO 74 2HG PRO 74 -10.834 -12.678 -0.855 582 1HD PRO 74 1HD PRO 74 -8.530 -12.149 -2.221 583 2HD PRO 74 2HD PRO 74 -9.983 -11.137 -2.325 584 H MET 75 H MET 75 -6.379 -10.871 -0.279 585 HA MET 75 HA MET 75 -5.433 -11.581 2.404 586 1HB MET 75 1HB MET 75 -4.740 -13.093 -0.118 587 2HB MET 75 2HB MET 75 -4.136 -13.434 1.498 588 1HG MET 75 1HG MET 75 -6.895 -13.462 1.775 589 2HG MET 75 2HG MET 75 -6.597 -14.254 0.228 590 1HE MET 75 1HE MET 75 -7.805 -15.459 3.135 591 2HE MET 75 2HE MET 75 -7.157 -17.095 3.029 592 3HE MET 75 3HE MET 75 -7.874 -16.340 1.606 593 H LEU 76 H LEU 76 -5.123 -9.564 -0.154 594 HA LEU 76 HA LEU 76 -2.289 -9.402 -0.402 595 1HB LEU 76 1HB LEU 76 -4.131 -8.700 -2.077 596 2HB LEU 76 2HB LEU 76 -4.196 -7.217 -1.151 597 HG LEU 76 HG LEU 76 -1.839 -8.279 -2.698 598 1HD1 LEU 76 1HD1 LEU 76 -2.981 -7.217 -4.318 599 2HD1 LEU 76 2HD1 LEU 76 -2.346 -5.757 -3.557 600 3HD1 LEU 76 3HD1 LEU 76 -3.973 -6.322 -3.167 601 1HD2 LEU 76 1HD2 LEU 76 -2.069 -6.101 -0.667 602 2HD2 LEU 76 2HD2 LEU 76 -0.957 -5.917 -2.023 603 3HD2 LEU 76 3HD2 LEU 76 -0.775 -7.274 -0.908 604 HA PRO 77 HA PRO 77 -1.908 -6.998 3.414 605 1HB PRO 77 1HB PRO 77 0.803 -6.800 3.339 606 2HB PRO 77 2HB PRO 77 -0.043 -8.240 3.916 607 1HG PRO 77 1HG PRO 77 1.182 -7.711 1.236 608 2HG PRO 77 2HG PRO 77 1.263 -9.177 2.231 609 1HD PRO 77 1HD PRO 77 -0.417 -8.948 0.130 610 2HD PRO 77 2HD PRO 77 -0.839 -9.880 1.582 611 H VAL 78 H VAL 78 -2.474 -4.911 3.253 612 HA VAL 78 HA VAL 78 -1.016 -3.194 1.359 613 HB VAL 78 HB VAL 78 -3.714 -2.521 2.484 614 1HG1 VAL 78 1HG1 VAL 78 -2.282 -0.813 1.317 615 2HG1 VAL 78 2HG1 VAL 78 -3.890 -1.051 0.638 616 3HG1 VAL 78 3HG1 VAL 78 -2.487 -1.762 -0.153 617 1HG2 VAL 78 1HG2 VAL 78 -3.265 -4.785 0.934 618 2HG2 VAL 78 2HG2 VAL 78 -3.818 -3.571 -0.214 619 3HG2 VAL 78 3HG2 VAL 78 -4.808 -3.972 1.189 620 H ILE 79 H ILE 79 -0.489 -1.090 1.951 621 HA ILE 79 HA ILE 79 -0.623 -0.451 4.821 622 HB ILE 79 HB ILE 79 1.729 0.336 3.142 623 1HG1 ILE 79 1HG1 ILE 79 2.441 -1.795 4.901 624 2HG1 ILE 79 2HG1 ILE 79 1.104 -2.332 3.888 625 1HG2 ILE 79 1HG2 ILE 79 1.103 1.388 5.393 626 2HG2 ILE 79 2HG2 ILE 79 2.772 0.872 5.149 627 3HG2 ILE 79 3HG2 ILE 79 1.670 -0.126 6.096 628 1HD1 ILE 79 1HD1 ILE 79 2.799 -1.043 2.128 629 2HD1 ILE 79 2HD1 ILE 79 2.619 -2.786 2.344 630 3HD1 ILE 79 3HD1 ILE 79 3.879 -1.915 3.220 631 H ILE 80 H ILE 80 -1.762 1.363 5.045 632 HA ILE 80 HA ILE 80 -1.975 3.176 2.777 633 HB ILE 80 HB ILE 80 -3.447 3.493 5.372 634 1HG1 ILE 80 1HG1 ILE 80 -3.650 1.125 4.566 635 2HG1 ILE 80 2HG1 ILE 80 -5.170 2.000 4.598 636 1HG2 ILE 80 1HG2 ILE 80 -4.015 5.285 4.136 637 2HG2 ILE 80 2HG2 ILE 80 -5.186 4.150 3.469 638 3HG2 ILE 80 3HG2 ILE 80 -3.686 4.486 2.601 639 1HD1 ILE 80 1HD1 ILE 80 -4.249 2.450 2.057 640 2HD1 ILE 80 2HD1 ILE 80 -5.468 1.270 2.535 641 3HD1 ILE 80 3HD1 ILE 80 -3.780 0.781 2.379 642 H MET 81 H MET 81 -1.135 5.159 2.675 643 HA MET 81 HA MET 81 0.785 5.930 4.681 644 1HB MET 81 1HB MET 81 1.090 7.930 3.074 645 2HB MET 81 2HB MET 81 1.607 6.332 2.571 646 1HG MET 81 1HG MET 81 -1.094 6.687 1.773 647 2HG MET 81 2HG MET 81 -0.168 8.101 1.279 648 1HE MET 81 1HE MET 81 2.830 6.641 0.731 649 2HE MET 81 2HE MET 81 2.013 8.027 0.023 650 3HE MET 81 3HE MET 81 2.569 6.709 -1.010 651 H THR 82 H THR 82 -2.481 6.448 4.544 652 HA THR 82 HA THR 82 -2.227 8.720 6.357 653 HB THR 82 HB THR 82 -4.242 8.906 4.127 654 HG1 THR 82 HG1 THR 82 -2.769 10.092 2.953 655 1HG2 THR 82 1HG2 THR 82 -3.001 11.341 5.089 656 2HG2 THR 82 2HG2 THR 82 -3.868 10.462 6.349 657 3HG2 THR 82 3HG2 THR 82 -4.702 10.934 4.869 658 H ALA 83 H ALA 83 -4.268 9.081 7.619 659 HA ALA 83 HA ALA 83 -6.401 7.186 7.352 660 1HB ALA 83 1HB ALA 83 -5.953 5.635 8.888 661 2HB ALA 83 2HB ALA 83 -5.227 6.798 10.001 662 3HB ALA 83 3HB ALA 83 -4.276 6.146 8.667 663 H HIS 84 H HIS 84 -6.837 9.749 7.276 664 HA HIS 84 HA HIS 84 -7.451 10.705 9.976 665 1HB HIS 84 1HB HIS 84 -7.854 12.881 8.905 666 2HB HIS 84 2HB HIS 84 -6.250 12.260 8.526 667 HD1 HIS 84 HD1 HIS 84 -9.664 12.671 6.965 668 HD2 HIS 84 HD2 HIS 84 -5.732 11.967 5.852 669 HE1 HIS 84 HE1 HIS 84 -9.643 12.805 4.456 670 HE2 HIS 84 HE2 HIS 84 -7.295 12.178 3.801 671 H SER 85 H SER 85 -8.989 9.387 7.190 672 HA SER 85 HA SER 85 -11.584 10.492 7.813 673 1HB SER 85 1HB SER 85 -11.620 8.253 5.960 674 2HB SER 85 2HB SER 85 -12.110 9.928 5.714 675 HG SER 85 HG SER 85 -9.588 8.740 5.342 676 H ASP 86 H ASP 86 -13.310 8.468 7.323 677 HA ASP 86 HA ASP 86 -13.769 7.331 9.791 678 1HB ASP 86 1HB ASP 86 -14.659 6.261 7.105 679 2HB ASP 86 2HB ASP 86 -15.391 5.878 8.660 680 H LEU 87 H LEU 87 -11.919 6.374 10.622 681 HA LEU 87 HA LEU 87 -10.220 4.515 9.554 682 1HB LEU 87 1HB LEU 87 -10.627 5.589 12.013 683 2HB LEU 87 2HB LEU 87 -11.121 3.933 12.303 684 HG LEU 87 HG LEU 87 -8.736 4.444 12.859 685 1HD1 LEU 87 1HD1 LEU 87 -9.165 2.353 10.749 686 2HD1 LEU 87 2HD1 LEU 87 -9.521 2.167 12.463 687 3HD1 LEU 87 3HD1 LEU 87 -7.856 2.392 11.925 688 1HD2 LEU 87 1HD2 LEU 87 -8.731 5.629 10.335 689 2HD2 LEU 87 2HD2 LEU 87 -7.734 4.183 10.174 690 3HD2 LEU 87 3HD2 LEU 87 -7.352 5.385 11.406 691 H ASP 88 H ASP 88 -13.541 4.084 10.361 692 HA ASP 88 HA ASP 88 -13.831 1.436 10.916 693 1HB ASP 88 1HB ASP 88 -15.526 3.386 9.414 694 2HB ASP 88 2HB ASP 88 -16.019 1.697 9.489 695 H ALA 89 H ALA 89 -13.506 2.834 7.642 696 HA ALA 89 HA ALA 89 -13.864 0.387 6.280 697 1HB ALA 89 1HB ALA 89 -14.179 2.270 4.954 698 2HB ALA 89 2HB ALA 89 -12.627 1.634 4.400 699 3HB ALA 89 3HB ALA 89 -12.676 3.018 5.495 700 H ALA 90 H ALA 90 -11.219 1.668 8.024 701 HA ALA 90 HA ALA 90 -9.156 0.201 6.678 702 1HB ALA 90 1HB ALA 90 -9.200 1.575 9.360 703 2HB ALA 90 2HB ALA 90 -8.544 2.209 7.854 704 3HB ALA 90 3HB ALA 90 -7.768 0.835 8.650 705 H VAL 91 H VAL 91 -11.381 -0.403 9.292 706 HA VAL 91 HA VAL 91 -10.048 -2.505 10.553 707 HB VAL 91 HB VAL 91 -13.040 -2.419 10.252 708 1HG1 VAL 91 1HG1 VAL 91 -12.408 -3.160 12.812 709 2HG1 VAL 91 2HG1 VAL 91 -11.095 -3.878 11.875 710 3HG1 VAL 91 3HG1 VAL 91 -12.773 -4.270 11.490 711 1HG2 VAL 91 1HG2 VAL 91 -11.802 -1.129 12.603 712 2HG2 VAL 91 2HG2 VAL 91 -13.256 -0.692 11.706 713 3HG2 VAL 91 3HG2 VAL 91 -11.669 -0.244 11.085 714 H SER 92 H SER 92 -12.115 -2.452 7.709 715 HA SER 92 HA SER 92 -12.281 -5.254 7.359 716 1HB SER 92 1HB SER 92 -12.468 -3.072 5.262 717 2HB SER 92 2HB SER 92 -13.016 -4.742 5.072 718 HG SER 92 HG SER 92 -14.711 -3.269 5.639 719 H ALA 93 H ALA 93 -9.818 -2.938 6.823 720 HA ALA 93 HA ALA 93 -8.337 -4.249 4.821 721 1HB ALA 93 1HB ALA 93 -7.108 -2.503 6.917 722 2HB ALA 93 2HB ALA 93 -8.145 -1.831 5.657 723 3HB ALA 93 3HB ALA 93 -6.662 -2.677 5.220 724 H TYR 94 H TYR 94 -8.087 -4.242 8.330 725 HA TYR 94 HA TYR 94 -5.890 -5.995 8.509 726 1HB TYR 94 1HB TYR 94 -8.053 -5.889 10.597 727 2HB TYR 94 2HB TYR 94 -6.321 -6.116 10.818 728 HD1 TYR 94 HD1 TYR 94 -4.979 -3.978 9.637 729 HD2 TYR 94 HD2 TYR 94 -8.825 -3.907 11.459 730 HE1 TYR 94 HE1 TYR 94 -4.722 -1.568 10.067 731 HE2 TYR 94 HE2 TYR 94 -8.579 -1.497 11.894 732 HH TYR 94 HH TYR 94 -7.200 0.266 11.822 733 H GLN 95 H GLN 95 -9.221 -6.486 7.881 734 HA GLN 95 HA GLN 95 -9.317 -9.259 8.569 735 1HB GLN 95 1HB GLN 95 -11.417 -8.329 8.644 736 2HB GLN 95 2HB GLN 95 -11.127 -7.286 7.264 737 1HG GLN 95 1HG GLN 95 -11.111 -9.858 6.202 738 2HG GLN 95 2HG GLN 95 -12.403 -9.871 7.401 739 1HE2 GLN 95 1HE2 GLN 95 -11.194 -7.308 5.282 740 2HE2 GLN 95 2HE2 GLN 95 -12.707 -6.989 4.513 741 H GLN 96 H GLN 96 -8.857 -7.430 5.555 742 HA GLN 96 HA GLN 96 -8.674 -9.813 3.981 743 1HB GLN 96 1HB GLN 96 -8.188 -8.394 2.116 744 2HB GLN 96 2HB GLN 96 -9.476 -7.646 3.053 745 1HG GLN 96 1HG GLN 96 -8.106 -5.862 2.544 746 2HG GLN 96 2HG GLN 96 -7.583 -6.301 4.162 747 1HE2 GLN 96 1HE2 GLN 96 -5.743 -4.942 3.230 748 2HE2 GLN 96 2HE2 GLN 96 -4.461 -5.821 2.477 749 H GLY 97 H GLY 97 -6.556 -8.249 6.076 750 1HA GLY 97 1HA GLY 97 -4.479 -9.425 6.559 751 2HA GLY 97 2HA GLY 97 -4.279 -9.656 4.830 752 H ALA 98 H ALA 98 -5.438 -6.563 5.715 753 HA ALA 98 HA ALA 98 -3.292 -5.190 4.598 754 1HB ALA 98 1HB ALA 98 -5.632 -4.325 5.102 755 2HB ALA 98 2HB ALA 98 -4.293 -3.208 5.364 756 3HB ALA 98 3HB ALA 98 -5.043 -4.024 6.736 757 H PHE 99 H PHE 99 -1.406 -4.319 5.409 758 HA PHE 99 HA PHE 99 -0.365 -5.507 7.761 759 1HB PHE 99 1HB PHE 99 1.059 -4.848 5.830 760 2HB PHE 99 2HB PHE 99 0.772 -3.157 6.235 761 HD1 PHE 99 HD1 PHE 99 1.506 -6.110 8.385 762 HD2 PHE 99 HD2 PHE 99 2.766 -2.282 7.010 763 HE1 PHE 99 HE1 PHE 99 3.391 -6.166 9.964 764 HE2 PHE 99 HE2 PHE 99 4.653 -2.336 8.585 765 HZ PHE 99 HZ PHE 99 4.966 -4.275 10.068 766 H ASP 100 H ASP 100 -1.239 -2.116 6.991 767 HA ASP 100 HA ASP 100 -2.461 -1.600 9.429 768 1HB ASP 100 1HB ASP 100 0.297 -1.881 9.802 769 2HB ASP 100 2HB ASP 100 0.009 -0.145 9.852 770 H TYR 101 H TYR 101 -1.582 1.022 9.993 771 HA TYR 101 HA TYR 101 -2.043 2.459 7.468 772 1HB TYR 101 1HB TYR 101 -3.702 2.504 9.932 773 2HB TYR 101 2HB TYR 101 -3.386 4.066 9.181 774 HD1 TYR 101 HD1 TYR 101 -4.798 0.684 8.497 775 HD2 TYR 101 HD2 TYR 101 -4.566 4.755 7.304 776 HE1 TYR 101 HE1 TYR 101 -6.606 0.307 6.878 777 HE2 TYR 101 HE2 TYR 101 -6.380 4.394 5.689 778 HH TYR 101 HH TYR 101 -8.114 2.931 5.151 779 H LEU 102 H LEU 102 -0.457 3.839 7.135 780 HA LEU 102 HA LEU 102 1.106 4.859 9.404 781 1HB LEU 102 1HB LEU 102 2.439 3.740 7.780 782 2HB LEU 102 2HB LEU 102 1.671 4.580 6.455 783 HG LEU 102 HG LEU 102 2.753 6.694 7.676 784 1HD1 LEU 102 1HD1 LEU 102 4.459 6.301 9.070 785 2HD1 LEU 102 2HD1 LEU 102 5.053 4.946 8.109 786 3HD1 LEU 102 3HD1 LEU 102 3.744 4.700 9.264 787 1HD2 LEU 102 1HD2 LEU 102 4.295 6.728 5.959 788 2HD2 LEU 102 2HD2 LEU 102 3.111 5.582 5.332 789 3HD2 LEU 102 3HD2 LEU 102 4.608 4.995 6.057 790 HA PRO 103 HA PRO 103 -0.709 8.887 8.970 791 1HB PRO 103 1HB PRO 103 1.453 10.412 9.753 792 2HB PRO 103 2HB PRO 103 0.354 9.600 10.866 793 1HG PRO 103 1HG PRO 103 3.037 8.713 9.877 794 2HG PRO 103 2HG PRO 103 2.365 8.632 11.517 795 1HD PRO 103 1HD PRO 103 2.433 6.468 9.945 796 2HD PRO 103 2HD PRO 103 1.056 6.775 11.023 797 H LYS 104 H LYS 104 -0.291 10.990 7.787 798 HA LYS 104 HA LYS 104 0.104 10.642 5.146 799 1HB LYS 104 1HB LYS 104 -0.736 12.726 6.219 800 2HB LYS 104 2HB LYS 104 0.935 13.179 6.536 801 1HG LYS 104 1HG LYS 104 -0.022 14.246 4.514 802 2HG LYS 104 2HG LYS 104 1.423 13.288 4.195 803 1HD LYS 104 1HD LYS 104 -0.951 11.664 3.944 804 2HD LYS 104 2HD LYS 104 -1.065 13.095 2.921 805 1HE LYS 104 1HE LYS 104 1.110 12.554 1.925 806 2HE LYS 104 2HE LYS 104 1.226 11.128 2.949 807 1HZ LYS 104 1HZ LYS 104 -0.909 11.589 0.950 808 2HZ LYS 104 2HZ LYS 104 -0.684 10.189 1.864 809 3HZ LYS 104 3HZ LYS 104 0.451 10.617 0.679 810 HA PRO 105 HA PRO 105 4.898 11.899 5.657 811 1HB PRO 105 1HB PRO 105 5.203 9.993 7.952 812 2HB PRO 105 2HB PRO 105 6.135 11.447 7.571 813 1HG PRO 105 1HG PRO 105 4.291 11.518 9.474 814 2HG PRO 105 2HG PRO 105 4.473 12.878 8.351 815 1HD PRO 105 1HD PRO 105 2.381 10.765 8.440 816 2HD PRO 105 2HD PRO 105 2.238 12.465 7.965 817 H PHE 106 H PHE 106 6.586 10.391 4.862 818 HA PHE 106 HA PHE 106 5.967 7.616 4.586 819 1HB PHE 106 1HB PHE 106 4.458 9.086 2.974 820 2HB PHE 106 2HB PHE 106 5.891 9.045 1.966 821 HD1 PHE 106 HD1 PHE 106 3.625 6.747 3.848 822 HD2 PHE 106 HD2 PHE 106 6.159 7.336 0.475 823 HE1 PHE 106 HE1 PHE 106 2.940 4.557 2.949 824 HE2 PHE 106 HE2 PHE 106 5.473 5.154 -0.424 825 HZ PHE 106 HZ PHE 106 3.864 3.768 0.805 826 H ASP 107 H ASP 107 7.455 9.438 1.947 827 HA ASP 107 HA ASP 107 9.535 9.181 1.032 828 1HB ASP 107 1HB ASP 107 11.296 10.104 2.387 829 2HB ASP 107 2HB ASP 107 9.811 10.965 2.777 830 H ILE 108 H ILE 108 11.901 8.176 1.706 831 HA ILE 108 HA ILE 108 11.416 5.400 1.723 832 HB ILE 108 HB ILE 108 13.790 7.126 1.584 833 1HG1 ILE 108 1HG1 ILE 108 14.156 6.042 -0.467 834 2HG1 ILE 108 2HG1 ILE 108 13.176 4.657 0.000 835 1HG2 ILE 108 1HG2 ILE 108 14.312 4.207 1.881 836 2HG2 ILE 108 2HG2 ILE 108 14.261 5.243 3.306 837 3HG2 ILE 108 3HG2 ILE 108 15.423 5.564 2.024 838 1HD1 ILE 108 1HD1 ILE 108 12.273 7.390 -0.826 839 2HD1 ILE 108 2HD1 ILE 108 11.208 6.281 0.029 840 3HD1 ILE 108 3HD1 ILE 108 11.870 5.832 -1.534 841 H ASP 109 H ASP 109 12.726 7.579 4.111 842 HA ASP 109 HA ASP 109 13.421 5.764 6.062 843 1HB ASP 109 1HB ASP 109 13.510 8.422 5.956 844 2HB ASP 109 2HB ASP 109 12.070 8.260 6.958 845 H GLU 110 H GLU 110 10.252 7.434 5.856 846 HA GLU 110 HA GLU 110 9.137 5.770 7.867 847 1HB GLU 110 1HB GLU 110 7.665 7.680 6.060 848 2HB GLU 110 2HB GLU 110 7.126 7.058 7.612 849 1HG GLU 110 1HG GLU 110 9.675 8.576 7.522 850 2HG GLU 110 2HG GLU 110 8.162 9.464 7.347 851 H ALA 111 H ALA 111 9.098 5.688 4.365 852 HA ALA 111 HA ALA 111 6.915 3.796 4.327 853 1HB ALA 111 1HB ALA 111 7.000 5.321 2.512 854 2HB ALA 111 2HB ALA 111 7.333 3.703 1.890 855 3HB ALA 111 3HB ALA 111 8.655 4.846 2.119 856 H VAL 112 H VAL 112 10.389 3.701 3.490 857 HA VAL 112 HA VAL 112 10.469 0.963 2.976 858 HB VAL 112 HB VAL 112 12.728 2.600 4.108 859 1HG1 VAL 112 1HG1 VAL 112 12.507 -0.138 3.586 860 2HG1 VAL 112 2HG1 VAL 112 13.982 0.776 3.910 861 3HG1 VAL 112 3HG1 VAL 112 13.447 0.526 2.248 862 1HG2 VAL 112 1HG2 VAL 112 11.479 2.530 1.443 863 2HG2 VAL 112 2HG2 VAL 112 13.237 2.404 1.455 864 3HG2 VAL 112 3HG2 VAL 112 12.448 3.783 2.210 865 H ALA 113 H ALA 113 10.577 2.781 5.913 866 HA ALA 113 HA ALA 113 11.482 0.822 7.709 867 1HB ALA 113 1HB ALA 113 9.447 2.440 8.905 868 2HB ALA 113 2HB ALA 113 10.423 3.442 7.837 869 3HB ALA 113 3HB ALA 113 11.195 2.523 9.132 870 H LEU 114 H LEU 114 8.245 1.804 6.742 871 HA LEU 114 HA LEU 114 6.958 -0.324 8.130 872 1HB LEU 114 1HB LEU 114 6.104 2.047 7.605 873 2HB LEU 114 2HB LEU 114 5.692 1.393 6.034 874 HG LEU 114 HG LEU 114 4.133 -0.166 7.025 875 1HD1 LEU 114 1HD1 LEU 114 5.353 -0.628 9.112 876 2HD1 LEU 114 2HD1 LEU 114 3.663 -0.207 9.405 877 3HD1 LEU 114 3HD1 LEU 114 4.933 0.983 9.696 878 1HD2 LEU 114 1HD2 LEU 114 3.733 2.456 6.769 879 2HD2 LEU 114 2HD2 LEU 114 3.451 2.298 8.505 880 3HD2 LEU 114 3HD2 LEU 114 2.491 1.353 7.367 881 H VAL 115 H VAL 115 8.285 0.005 4.955 882 HA VAL 115 HA VAL 115 6.565 -1.927 3.738 883 HB VAL 115 HB VAL 115 7.860 -0.169 2.445 884 1HG1 VAL 115 1HG1 VAL 115 10.098 -0.573 1.805 885 2HG1 VAL 115 2HG1 VAL 115 10.097 -2.176 2.540 886 3HG1 VAL 115 3HG1 VAL 115 10.053 -0.742 3.555 887 1HG2 VAL 115 1HG2 VAL 115 6.775 -1.649 1.075 888 2HG2 VAL 115 2HG2 VAL 115 7.624 -3.048 1.737 889 3HG2 VAL 115 3HG2 VAL 115 8.450 -1.963 0.617 890 H GLU 116 H GLU 116 9.954 -2.086 4.847 891 HA GLU 116 HA GLU 116 10.203 -4.856 4.288 892 1HB GLU 116 1HB GLU 116 11.816 -2.971 5.999 893 2HB GLU 116 2HB GLU 116 12.235 -4.669 5.801 894 1HG GLU 116 1HG GLU 116 12.299 -4.280 3.330 895 2HG GLU 116 2HG GLU 116 12.106 -2.560 3.661 896 H ARG 117 H ARG 117 9.285 -3.025 7.143 897 HA ARG 117 HA ARG 117 9.314 -5.164 8.968 898 1HB ARG 117 1HB ARG 117 7.749 -2.585 8.923 899 2HB ARG 117 2HB ARG 117 7.665 -3.728 10.257 900 1HG ARG 117 1HG ARG 117 10.361 -2.858 9.414 901 2HG ARG 117 2HG ARG 117 9.343 -1.664 10.221 902 1HD ARG 117 1HD ARG 117 9.080 -3.085 12.127 903 2HD ARG 117 2HD ARG 117 9.888 -4.420 11.310 904 HE ARG 117 HE ARG 117 11.914 -2.945 11.334 905 1HH1 ARG 117 1HH1 ARG 117 9.402 -2.565 13.741 906 2HH1 ARG 117 2HH1 ARG 117 10.477 -1.909 14.926 907 1HH2 ARG 117 1HH2 ARG 117 13.311 -2.077 12.893 908 2HH2 ARG 117 2HH2 ARG 117 12.692 -1.629 14.447 909 H ALA 118 H ALA 118 7.133 -4.276 6.466 910 HA ALA 118 HA ALA 118 4.835 -5.642 7.424 911 1HB ALA 118 1HB ALA 118 4.104 -5.445 5.003 912 2HB ALA 118 2HB ALA 118 5.633 -4.612 4.712 913 3HB ALA 118 3HB ALA 118 4.457 -3.935 5.841 914 H ILE 119 H ILE 119 7.189 -6.427 4.873 915 HA ILE 119 HA ILE 119 6.207 -9.030 4.398 916 HB ILE 119 HB ILE 119 8.991 -8.015 3.854 917 1HG1 ILE 119 1HG1 ILE 119 6.959 -7.997 1.702 918 2HG1 ILE 119 2HG1 ILE 119 6.759 -6.778 2.958 919 1HG2 ILE 119 1HG2 ILE 119 8.933 -10.349 3.521 920 2HG2 ILE 119 2HG2 ILE 119 8.793 -9.625 1.918 921 3HG2 ILE 119 3HG2 ILE 119 7.362 -10.273 2.722 922 1HD1 ILE 119 1HD1 ILE 119 9.305 -7.209 1.423 923 2HD1 ILE 119 2HD1 ILE 119 8.925 -5.885 2.527 924 3HD1 ILE 119 3HD1 ILE 119 8.069 -6.026 0.990 925 H SER 120 H SER 120 8.523 -7.715 6.613 926 HA SER 120 HA SER 120 9.816 -10.120 7.332 927 1HB SER 120 1HB SER 120 9.604 -7.392 8.541 928 2HB SER 120 2HB SER 120 10.259 -8.708 9.517 929 HG SER 120 HG SER 120 11.206 -8.149 6.913 930 H HIS 121 H HIS 121 7.109 -8.346 8.800 931 HA HIS 121 HA HIS 121 6.715 -10.000 11.002 932 1HB HIS 121 1HB HIS 121 5.019 -8.088 9.482 933 2HB HIS 121 2HB HIS 121 4.207 -9.188 10.592 934 HD1 HIS 121 HD1 HIS 121 5.816 -5.980 10.494 935 HD2 HIS 121 HD2 HIS 121 5.396 -8.991 13.326 936 HE1 HIS 121 HE1 HIS 121 6.315 -4.895 12.708 937 HE2 HIS 121 HE2 HIS 121 6.130 -6.755 14.399 938 H TYR 122 H TYR 122 5.908 -10.475 7.680 939 HA TYR 122 HA TYR 122 4.015 -12.573 8.135 940 1HB TYR 122 1HB TYR 122 5.251 -11.278 5.769 941 2HB TYR 122 2HB TYR 122 4.671 -12.926 5.556 942 HD1 TYR 122 HD1 TYR 122 2.222 -13.310 6.605 943 HD2 TYR 122 HD2 TYR 122 3.782 -9.584 5.269 944 HE1 TYR 122 HE1 TYR 122 -0.071 -12.464 6.306 945 HE2 TYR 122 HE2 TYR 122 1.497 -8.729 4.967 946 HH TYR 122 HH TYR 122 -0.883 -9.383 6.097 947 H GLN 123 H GLN 123 7.281 -12.503 6.707 948 HA GLN 123 HA GLN 123 7.544 -15.341 6.833 949 1HB GLN 123 1HB GLN 123 9.827 -14.959 6.031 950 2HB GLN 123 2HB GLN 123 8.662 -14.042 5.086 951 1HG GLN 123 1HG GLN 123 9.215 -12.074 6.584 952 2HG GLN 123 2HG GLN 123 10.578 -13.033 7.161 953 1HE2 GLN 123 1HE2 GLN 123 11.614 -11.014 6.244 954 2HE2 GLN 123 2HE2 GLN 123 12.107 -11.084 4.589 955 H GLU 124 H GLU 124 9.983 -15.931 7.748 956 HA GLU 124 HA GLU 124 10.533 -14.755 10.304 957 1HB GLU 124 1HB GLU 124 8.518 -16.235 10.713 958 2HB GLU 124 2HB GLU 124 9.543 -17.608 10.319 959 1HG GLU 124 1HG GLU 124 10.054 -17.685 12.473 960 2HG GLU 124 2HG GLU 124 11.012 -16.229 12.203 Start of MODEL 26 1 1H MET 1 1H MET 1 10.180 -19.008 -3.602 2 2H MET 1 2H MET 1 9.047 -19.218 -2.331 3 3H MET 1 3H MET 1 10.730 -19.293 -2.003 4 HA MET 1 HA MET 1 9.332 -17.185 -1.513 5 1HB MET 1 1HB MET 1 12.124 -17.500 -2.582 6 2HB MET 1 2HB MET 1 11.529 -15.913 -2.112 7 1HG MET 1 1HG MET 1 11.323 -16.515 0.127 8 2HG MET 1 2HG MET 1 11.362 -18.239 -0.238 9 1HE MET 1 1HE MET 1 13.577 -14.917 -0.161 10 2HE MET 1 2HE MET 1 14.812 -15.602 0.894 11 3HE MET 1 3HE MET 1 13.124 -15.589 1.405 12 H GLN 2 H GLN 2 9.818 -14.884 -2.607 13 HA GLN 2 HA GLN 2 9.014 -15.041 -5.432 14 1HB GLN 2 1HB GLN 2 7.592 -13.831 -3.166 15 2HB GLN 2 2HB GLN 2 7.781 -12.752 -4.542 16 1HG GLN 2 1HG GLN 2 6.211 -13.805 -5.696 17 2HG GLN 2 2HG GLN 2 6.937 -15.381 -5.381 18 1HE2 GLN 2 1HE2 GLN 2 4.756 -12.940 -4.124 19 2HE2 GLN 2 2HE2 GLN 2 3.865 -13.997 -3.089 20 H ARG 3 H ARG 3 9.523 -13.143 -6.700 21 HA ARG 3 HA ARG 3 12.109 -12.162 -6.226 22 1HB ARG 3 1HB ARG 3 11.669 -10.624 -8.113 23 2HB ARG 3 2HB ARG 3 11.225 -12.285 -8.476 24 1HG ARG 3 1HG ARG 3 8.856 -11.633 -7.838 25 2HG ARG 3 2HG ARG 3 9.420 -9.961 -7.883 26 1HD ARG 3 1HD ARG 3 10.293 -11.320 -10.243 27 2HD ARG 3 2HD ARG 3 8.565 -11.578 -10.034 28 HE ARG 3 HE ARG 3 8.386 -9.098 -9.888 29 1HH1 ARG 3 1HH1 ARG 3 11.133 -10.535 -11.514 30 2HH1 ARG 3 2HH1 ARG 3 11.378 -9.176 -12.554 31 1HH2 ARG 3 1HH2 ARG 3 8.716 -7.320 -11.268 32 2HH2 ARG 3 2HH2 ARG 3 10.013 -7.356 -12.417 33 H GLY 4 H GLY 4 9.102 -11.150 -4.971 34 1HA GLY 4 1HA GLY 4 8.758 -9.565 -3.304 35 2HA GLY 4 2HA GLY 4 10.397 -8.980 -3.558 36 H ILE 5 H ILE 5 7.073 -8.719 -4.511 37 HA ILE 5 HA ILE 5 7.751 -6.428 -6.233 38 HB ILE 5 HB ILE 5 5.118 -7.894 -6.192 39 1HG1 ILE 5 1HG1 ILE 5 6.299 -8.641 -8.532 40 2HG1 ILE 5 2HG1 ILE 5 7.688 -8.606 -7.452 41 1HG2 ILE 5 1HG2 ILE 5 5.955 -6.599 -8.654 42 2HG2 ILE 5 2HG2 ILE 5 5.847 -5.475 -7.301 43 3HG2 ILE 5 3HG2 ILE 5 4.447 -6.448 -7.750 44 1HD1 ILE 5 1HD1 ILE 5 7.116 -10.660 -6.854 45 2HD1 ILE 5 2HD1 ILE 5 5.546 -10.529 -7.647 46 3HD1 ILE 5 3HD1 ILE 5 5.753 -9.936 -5.999 47 H VAL 6 H VAL 6 7.537 -4.558 -5.223 48 HA VAL 6 HA VAL 6 5.399 -4.262 -3.224 49 HB VAL 6 HB VAL 6 7.577 -3.809 -2.273 50 1HG1 VAL 6 1HG1 VAL 6 8.321 -2.976 -4.743 51 2HG1 VAL 6 2HG1 VAL 6 9.237 -2.687 -3.269 52 3HG1 VAL 6 3HG1 VAL 6 8.161 -1.442 -3.895 53 1HG2 VAL 6 1HG2 VAL 6 5.418 -2.153 -2.134 54 2HG2 VAL 6 2HG2 VAL 6 6.716 -1.028 -2.537 55 3HG2 VAL 6 3HG2 VAL 6 6.844 -2.048 -1.103 56 H TRP 7 H TRP 7 3.748 -2.924 -3.633 57 HA TRP 7 HA TRP 7 4.007 -1.104 -5.935 58 1HB TRP 7 1HB TRP 7 1.710 -2.803 -5.000 59 2HB TRP 7 2HB TRP 7 1.429 -1.385 -6.007 60 HD1 TRP 7 HD1 TRP 7 4.628 -2.940 -6.967 61 HE1 TRP 7 HE1 TRP 7 4.380 -4.295 -9.125 62 HE3 TRP 7 HE3 TRP 7 -0.470 -3.172 -7.184 63 HZ2 TRP 7 HZ2 TRP 7 2.297 -5.363 -10.703 64 HZ3 TRP 7 HZ3 TRP 7 -1.513 -4.385 -9.052 65 HH2 TRP 7 HH2 TRP 7 -0.156 -5.461 -10.773 66 H VAL 8 H VAL 8 3.205 0.994 -5.761 67 HA VAL 8 HA VAL 8 2.261 1.825 -3.088 68 HB VAL 8 HB VAL 8 4.069 3.659 -4.580 69 1HG1 VAL 8 1HG1 VAL 8 3.306 4.668 -2.675 70 2HG1 VAL 8 2HG1 VAL 8 4.822 3.975 -2.100 71 3HG1 VAL 8 3HG1 VAL 8 3.297 3.174 -1.746 72 1HG2 VAL 8 1HG2 VAL 8 5.675 2.100 -4.724 73 2HG2 VAL 8 2HG2 VAL 8 4.919 1.050 -3.524 74 3HG2 VAL 8 3HG2 VAL 8 5.890 2.426 -3.003 75 H VAL 9 H VAL 9 0.920 3.641 -3.022 76 HA VAL 9 HA VAL 9 0.240 4.871 -5.595 77 HB VAL 9 HB VAL 9 -2.138 4.740 -3.958 78 1HG1 VAL 9 1HG1 VAL 9 -2.778 5.110 -6.054 79 2HG1 VAL 9 2HG1 VAL 9 -2.614 3.379 -6.326 80 3HG1 VAL 9 3HG1 VAL 9 -1.287 4.479 -6.708 81 1HG2 VAL 9 1HG2 VAL 9 -2.619 2.326 -4.312 82 2HG2 VAL 9 2HG2 VAL 9 -1.367 2.633 -3.122 83 3HG2 VAL 9 3HG2 VAL 9 -0.924 2.088 -4.734 84 H ASP 10 H ASP 10 0.950 6.891 -5.291 85 HA ASP 10 HA ASP 10 -0.360 8.811 -3.892 86 1HB ASP 10 1HB ASP 10 0.308 7.585 -1.810 87 2HB ASP 10 2HB ASP 10 1.986 7.941 -2.193 88 H ASP 11 H ASP 11 0.234 10.625 -4.837 89 HA ASP 11 HA ASP 11 1.440 12.280 -5.796 90 1HB ASP 11 1HB ASP 11 3.153 11.228 -3.844 91 2HB ASP 11 2HB ASP 11 4.140 11.406 -5.291 92 H ASP 12 H ASP 12 2.172 8.989 -6.561 93 HA ASP 12 HA ASP 12 2.643 7.983 -8.532 94 1HB ASP 12 1HB ASP 12 1.097 9.871 -9.375 95 2HB ASP 12 2HB ASP 12 2.575 10.655 -9.919 96 H SER 13 H SER 13 4.186 9.953 -10.569 97 HA SER 13 HA SER 13 6.621 8.895 -10.559 98 1HB SER 13 1HB SER 13 5.624 10.777 -12.034 99 2HB SER 13 2HB SER 13 6.439 11.863 -10.909 100 HG SER 13 HG SER 13 7.731 11.303 -12.739 101 H SER 14 H SER 14 5.735 11.609 -8.501 102 HA SER 14 HA SER 14 8.215 12.162 -7.390 103 1HB SER 14 1HB SER 14 5.716 13.151 -7.014 104 2HB SER 14 2HB SER 14 5.948 12.281 -5.499 105 HG SER 14 HG SER 14 8.110 13.463 -5.575 106 H ILE 15 H ILE 15 5.696 10.193 -5.808 107 HA ILE 15 HA ILE 15 7.500 9.132 -3.907 108 HB ILE 15 HB ILE 15 4.730 8.239 -4.710 109 1HG1 ILE 15 1HG1 ILE 15 4.993 10.502 -3.702 110 2HG1 ILE 15 2HG1 ILE 15 4.023 9.411 -2.718 111 1HG2 ILE 15 1HG2 ILE 15 6.407 7.348 -2.363 112 2HG2 ILE 15 2HG2 ILE 15 5.929 6.353 -3.739 113 3HG2 ILE 15 3HG2 ILE 15 4.708 6.953 -2.617 114 1HD1 ILE 15 1HD1 ILE 15 5.360 9.758 -0.994 115 2HD1 ILE 15 2HD1 ILE 15 6.278 10.908 -1.966 116 3HD1 ILE 15 3HD1 ILE 15 6.755 9.210 -1.924 117 H ARG 16 H ARG 16 6.765 8.283 -7.145 118 HA ARG 16 HA ARG 16 7.452 5.532 -7.028 119 1HB ARG 16 1HB ARG 16 6.148 6.645 -8.872 120 2HB ARG 16 2HB ARG 16 7.655 7.355 -9.425 121 1HG ARG 16 1HG ARG 16 8.423 4.816 -9.394 122 2HG ARG 16 2HG ARG 16 6.690 4.556 -9.603 123 1HD ARG 16 1HD ARG 16 7.454 6.630 -11.370 124 2HD ARG 16 2HD ARG 16 8.641 5.341 -11.539 125 HE ARG 16 HE ARG 16 6.780 3.834 -12.028 126 1HH1 ARG 16 1HH1 ARG 16 6.184 7.271 -12.338 127 2HH1 ARG 16 2HH1 ARG 16 4.845 7.060 -13.410 128 1HH2 ARG 16 1HH2 ARG 16 5.019 3.575 -13.444 129 2HH2 ARG 16 2HH2 ARG 16 4.183 4.972 -14.036 130 H TRP 17 H TRP 17 9.291 8.350 -8.199 131 HA TRP 17 HA TRP 17 11.671 7.038 -8.736 132 1HB TRP 17 1HB TRP 17 11.199 9.372 -9.378 133 2HB TRP 17 2HB TRP 17 11.344 9.855 -7.690 134 HD1 TRP 17 HD1 TRP 17 13.548 8.298 -10.473 135 HE1 TRP 17 HE1 TRP 17 15.976 9.054 -10.077 136 HE3 TRP 17 HE3 TRP 17 12.893 10.843 -6.089 137 HZ2 TRP 17 HZ2 TRP 17 17.424 10.534 -8.158 138 HZ3 TRP 17 HZ3 TRP 17 14.854 11.898 -5.036 139 HH2 TRP 17 HH2 TRP 17 17.072 11.745 -6.050 140 H VAL 18 H VAL 18 10.587 8.476 -5.678 141 HA VAL 18 HA VAL 18 12.991 7.965 -4.297 142 HB VAL 18 HB VAL 18 10.453 8.097 -2.755 143 1HG1 VAL 18 1HG1 VAL 18 11.749 8.995 -1.123 144 2HG1 VAL 18 2HG1 VAL 18 12.790 9.848 -2.261 145 3HG1 VAL 18 3HG1 VAL 18 13.006 8.117 -1.995 146 1HG2 VAL 18 1HG2 VAL 18 11.249 10.071 -4.754 147 2HG2 VAL 18 2HG2 VAL 18 11.044 10.746 -3.139 148 3HG2 VAL 18 3HG2 VAL 18 9.719 9.870 -3.902 149 H LEU 19 H LEU 19 9.939 6.198 -4.362 150 HA LEU 19 HA LEU 19 10.957 4.163 -2.625 151 1HB LEU 19 1HB LEU 19 8.362 4.630 -4.000 152 2HB LEU 19 2HB LEU 19 8.725 3.029 -3.402 153 HG LEU 19 HG LEU 19 7.405 4.141 -1.767 154 1HD1 LEU 19 1HD1 LEU 19 9.552 4.536 -0.049 155 2HD1 LEU 19 2HD1 LEU 19 10.129 3.347 -1.213 156 3HD1 LEU 19 3HD1 LEU 19 8.655 3.040 -0.299 157 1HD2 LEU 19 1HD2 LEU 19 7.867 6.261 -0.846 158 2HD2 LEU 19 2HD2 LEU 19 8.009 6.439 -2.594 159 3HD2 LEU 19 3HD2 LEU 19 9.454 6.327 -1.603 160 H GLU 20 H GLU 20 10.809 4.607 -6.043 161 HA GLU 20 HA GLU 20 10.905 1.873 -6.738 162 1HB GLU 20 1HB GLU 20 11.433 2.536 -8.955 163 2HB GLU 20 2HB GLU 20 10.259 3.668 -8.326 164 1HG GLU 20 1HG GLU 20 12.078 5.279 -7.925 165 2HG GLU 20 2HG GLU 20 13.207 4.132 -8.646 166 H ARG 21 H ARG 21 13.523 4.273 -6.814 167 HA ARG 21 HA ARG 21 15.554 2.381 -7.252 168 1HB ARG 21 1HB ARG 21 15.702 5.159 -6.078 169 2HB ARG 21 2HB ARG 21 17.105 4.206 -6.542 170 1HG ARG 21 1HG ARG 21 15.173 4.381 -8.690 171 2HG ARG 21 2HG ARG 21 15.694 5.972 -8.138 172 1HD ARG 21 1HD ARG 21 17.906 5.588 -8.702 173 2HD ARG 21 2HD ARG 21 17.719 3.836 -8.644 174 HE ARG 21 HE ARG 21 16.536 5.488 -10.782 175 1HH1 ARG 21 1HH1 ARG 21 18.363 2.682 -9.759 176 2HH1 ARG 21 2HH1 ARG 21 18.474 2.027 -11.356 177 1HH2 ARG 21 1HH2 ARG 21 16.692 4.618 -12.873 178 2HH2 ARG 21 2HH2 ARG 21 17.530 3.121 -13.119 179 H ALA 22 H ALA 22 14.842 4.155 -4.228 180 HA ALA 22 HA ALA 22 16.630 2.879 -2.591 181 1HB ALA 22 1HB ALA 22 14.017 4.196 -2.101 182 2HB ALA 22 2HB ALA 22 15.627 4.638 -1.533 183 3HB ALA 22 3HB ALA 22 14.766 3.293 -0.784 184 H LEU 23 H LEU 23 13.262 1.918 -3.060 185 HA LEU 23 HA LEU 23 13.496 -0.422 -1.508 186 1HB LEU 23 1HB LEU 23 11.372 0.846 -2.299 187 2HB LEU 23 2HB LEU 23 11.508 -0.149 -3.735 188 HG LEU 23 HG LEU 23 10.927 -2.082 -2.627 189 1HD1 LEU 23 1HD1 LEU 23 12.062 -0.785 -0.184 190 2HD1 LEU 23 2HD1 LEU 23 12.470 -2.334 -0.920 191 3HD1 LEU 23 3HD1 LEU 23 10.956 -2.150 -0.039 192 1HD2 LEU 23 1HD2 LEU 23 9.518 -0.183 -0.792 193 2HD2 LEU 23 2HD2 LEU 23 8.925 -1.678 -1.522 194 3HD2 LEU 23 3HD2 LEU 23 9.150 -0.239 -2.516 195 H ALA 24 H ALA 24 14.429 0.332 -4.734 196 HA ALA 24 HA ALA 24 14.452 -2.318 -5.764 197 1HB ALA 24 1HB ALA 24 15.340 -1.430 -7.658 198 2HB ALA 24 2HB ALA 24 16.466 -0.400 -6.774 199 3HB ALA 24 3HB ALA 24 14.780 0.076 -6.939 200 H GLY 25 H GLY 25 16.706 -0.303 -3.966 201 1HA GLY 25 1HA GLY 25 18.988 -1.931 -4.185 202 2HA GLY 25 2HA GLY 25 18.650 -0.822 -2.859 203 H ALA 26 H ALA 26 16.087 -2.252 -2.306 204 HA ALA 26 HA ALA 26 17.154 -4.158 -0.463 205 1HB ALA 26 1HB ALA 26 14.499 -2.954 -0.992 206 2HB ALA 26 2HB ALA 26 15.383 -3.132 0.525 207 3HB ALA 26 3HB ALA 26 14.538 -4.514 -0.171 208 H GLY 27 H GLY 27 16.063 -4.282 -3.684 209 1HA GLY 27 1HA GLY 27 16.376 -6.210 -5.024 210 2HA GLY 27 2HA GLY 27 16.190 -7.205 -3.590 211 H LEU 28 H LEU 28 13.881 -4.649 -4.280 212 HA LEU 28 HA LEU 28 11.996 -6.705 -5.161 213 1HB LEU 28 1HB LEU 28 10.867 -4.395 -3.726 214 2HB LEU 28 2HB LEU 28 10.383 -6.079 -3.700 215 HG LEU 28 HG LEU 28 12.670 -6.290 -2.342 216 1HD1 LEU 28 1HD1 LEU 28 12.438 -4.194 -0.764 217 2HD1 LEU 28 2HD1 LEU 28 11.967 -3.460 -2.299 218 3HD1 LEU 28 3HD1 LEU 28 13.532 -4.253 -2.146 219 1HD2 LEU 28 1HD2 LEU 28 10.590 -5.263 -0.598 220 2HD2 LEU 28 2HD2 LEU 28 11.298 -6.876 -0.680 221 3HD2 LEU 28 3HD2 LEU 28 9.986 -6.431 -1.773 222 H THR 29 H THR 29 10.000 -5.704 -6.180 223 HA THR 29 HA THR 29 10.891 -3.631 -8.066 224 HB THR 29 HB THR 29 8.775 -5.775 -8.263 225 HG1 THR 29 HG1 THR 29 10.075 -6.567 -9.835 226 1HG2 THR 29 1HG2 THR 29 8.950 -4.687 -10.765 227 2HG2 THR 29 2HG2 THR 29 8.928 -3.264 -9.722 228 3HG2 THR 29 3HG2 THR 29 7.624 -4.448 -9.626 229 H CYS 30 H CYS 30 10.306 -1.673 -7.342 230 HA CYS 30 HA CYS 30 7.694 -1.374 -6.058 231 1HB CYS 30 1HB CYS 30 9.805 -0.552 -4.947 232 2HB CYS 30 2HB CYS 30 9.860 0.691 -6.189 233 HG CYS 30 HG CYS 30 7.930 0.614 -3.823 234 H THR 31 H THR 31 6.072 -0.776 -7.255 235 HA THR 31 HA THR 31 6.523 1.185 -9.408 236 HB THR 31 HB THR 31 5.751 -1.228 -10.068 237 HG1 THR 31 HG1 THR 31 4.368 1.117 -10.870 238 1HG2 THR 31 1HG2 THR 31 4.011 -1.696 -8.607 239 2HG2 THR 31 2HG2 THR 31 3.221 -1.324 -10.132 240 3HG2 THR 31 3HG2 THR 31 3.259 -0.129 -8.840 241 H THR 32 H THR 32 4.698 2.726 -9.675 242 HA THR 32 HA THR 32 3.074 2.900 -7.243 243 HB THR 32 HB THR 32 3.447 5.229 -7.019 244 HG1 THR 32 HG1 THR 32 4.709 4.993 -9.532 245 1HG2 THR 32 1HG2 THR 32 6.184 4.253 -7.697 246 2HG2 THR 32 2HG2 THR 32 5.305 3.611 -6.307 247 3HG2 THR 32 3HG2 THR 32 5.670 5.336 -6.404 248 H PHE 33 H PHE 33 1.248 4.342 -7.377 249 HA PHE 33 HA PHE 33 0.150 4.642 -10.066 250 1HB PHE 33 1HB PHE 33 -1.300 3.369 -7.755 251 2HB PHE 33 2HB PHE 33 -1.966 3.674 -9.339 252 HD1 PHE 33 HD1 PHE 33 -1.817 2.009 -10.980 253 HD2 PHE 33 HD2 PHE 33 0.760 1.887 -7.599 254 HE1 PHE 33 HE1 PHE 33 -1.015 -0.207 -11.678 255 HE2 PHE 33 HE2 PHE 33 1.574 -0.320 -8.294 256 HZ PHE 33 HZ PHE 33 0.685 -1.378 -10.336 257 H GLU 34 H GLU 34 -2.047 5.887 -9.885 258 HA GLU 34 HA GLU 34 -1.484 8.451 -9.028 259 1HB GLU 34 1HB GLU 34 -3.925 8.885 -9.423 260 2HB GLU 34 2HB GLU 34 -3.075 8.100 -10.745 261 1HG GLU 34 1HG GLU 34 -4.772 6.666 -10.762 262 2HG GLU 34 2HG GLU 34 -4.011 5.970 -9.337 263 H ASN 35 H ASN 35 -3.947 6.315 -7.455 264 HA ASN 35 HA ASN 35 -3.195 7.423 -4.911 265 1HB ASN 35 1HB ASN 35 -5.893 7.927 -6.125 266 2HB ASN 35 2HB ASN 35 -5.602 8.042 -4.394 267 1HD2 ASN 35 1HD2 ASN 35 -5.862 9.794 -7.107 268 2HD2 ASN 35 2HD2 ASN 35 -4.885 11.156 -6.691 269 H GLY 36 H GLY 36 -5.073 5.162 -6.753 270 1HA GLY 36 1HA GLY 36 -4.637 3.021 -5.057 271 2HA GLY 36 2HA GLY 36 -6.155 3.736 -4.547 272 H ASN 37 H ASN 37 -7.566 4.307 -6.663 273 HA ASN 37 HA ASN 37 -8.574 1.945 -7.613 274 1HB ASN 37 1HB ASN 37 -8.994 4.712 -8.144 275 2HB ASN 37 2HB ASN 37 -8.963 3.851 -9.680 276 1HD2 ASN 37 1HD2 ASN 37 -10.116 2.921 -6.457 277 2HD2 ASN 37 2HD2 ASN 37 -11.728 2.547 -6.949 278 H GLU 38 H GLU 38 -5.867 3.767 -8.818 279 HA GLU 38 HA GLU 38 -5.584 2.527 -11.322 280 1HB GLU 38 1HB GLU 38 -4.082 4.311 -9.677 281 2HB GLU 38 2HB GLU 38 -3.016 3.045 -10.243 282 1HG GLU 38 1HG GLU 38 -4.773 4.314 -12.247 283 2HG GLU 38 2HG GLU 38 -3.441 5.275 -11.608 284 H VAL 39 H VAL 39 -3.936 1.804 -8.202 285 HA VAL 39 HA VAL 39 -2.619 -0.512 -9.033 286 HB VAL 39 HB VAL 39 -3.838 -0.291 -6.292 287 1HG1 VAL 39 1HG1 VAL 39 -1.780 -1.446 -5.626 288 2HG1 VAL 39 2HG1 VAL 39 -1.265 -1.474 -7.311 289 3HG1 VAL 39 3HG1 VAL 39 -2.701 -2.365 -6.815 290 1HG2 VAL 39 1HG2 VAL 39 -2.685 1.522 -5.809 291 2HG2 VAL 39 2HG2 VAL 39 -2.212 1.661 -7.494 292 3HG2 VAL 39 3HG2 VAL 39 -1.190 0.776 -6.364 293 H LEU 40 H LEU 40 -5.911 -0.132 -7.778 294 HA LEU 40 HA LEU 40 -6.638 -2.796 -7.538 295 1HB LEU 40 1HB LEU 40 -8.506 -0.702 -8.616 296 2HB LEU 40 2HB LEU 40 -8.894 -2.091 -7.622 297 HG LEU 40 HG LEU 40 -7.500 0.437 -6.758 298 1HD1 LEU 40 1HD1 LEU 40 -10.200 -0.750 -6.387 299 2HD1 LEU 40 2HD1 LEU 40 -9.737 0.919 -6.692 300 3HD1 LEU 40 3HD1 LEU 40 -9.511 0.225 -5.090 301 1HD2 LEU 40 1HD2 LEU 40 -7.527 -2.255 -5.569 302 2HD2 LEU 40 2HD2 LEU 40 -7.931 -0.932 -4.474 303 3HD2 LEU 40 3HD2 LEU 40 -6.395 -0.921 -5.340 304 H ALA 41 H ALA 41 -6.734 -0.700 -10.389 305 HA ALA 41 HA ALA 41 -7.930 -2.548 -12.132 306 1HB ALA 41 1HB ALA 41 -7.457 -1.059 -13.854 307 2HB ALA 41 2HB ALA 41 -5.990 -0.474 -13.069 308 3HB ALA 41 3HB ALA 41 -7.571 -0.019 -12.435 309 H ALA 42 H ALA 42 -4.549 -1.705 -11.637 310 HA ALA 42 HA ALA 42 -3.514 -3.628 -13.440 311 1HB ALA 42 1HB ALA 42 -1.441 -3.188 -11.756 312 2HB ALA 42 2HB ALA 42 -2.416 -1.749 -11.461 313 3HB ALA 42 3HB ALA 42 -1.871 -2.125 -13.095 314 H LEU 43 H LEU 43 -4.448 -3.681 -10.102 315 HA LEU 43 HA LEU 43 -3.104 -6.024 -9.316 316 1HB LEU 43 1HB LEU 43 -5.314 -4.358 -8.268 317 2HB LEU 43 2HB LEU 43 -5.239 -6.007 -7.680 318 HG LEU 43 HG LEU 43 -2.908 -4.113 -7.532 319 1HD1 LEU 43 1HD1 LEU 43 -4.811 -4.801 -5.303 320 2HD1 LEU 43 2HD1 LEU 43 -4.954 -3.333 -6.269 321 3HD1 LEU 43 3HD1 LEU 43 -3.512 -3.609 -5.292 322 1HD2 LEU 43 1HD2 LEU 43 -3.503 -6.879 -6.657 323 2HD2 LEU 43 2HD2 LEU 43 -2.544 -5.873 -5.569 324 3HD2 LEU 43 3HD2 LEU 43 -1.987 -6.171 -7.217 325 H ALA 44 H ALA 44 -5.976 -5.475 -11.137 326 HA ALA 44 HA ALA 44 -7.310 -7.903 -10.722 327 1HB ALA 44 1HB ALA 44 -7.585 -6.891 -13.430 328 2HB ALA 44 2HB ALA 44 -7.764 -5.630 -12.212 329 3HB ALA 44 3HB ALA 44 -8.792 -7.062 -12.157 330 H SER 45 H SER 45 -4.413 -7.223 -12.417 331 HA SER 45 HA SER 45 -4.484 -9.874 -13.638 332 1HB SER 45 1HB SER 45 -4.434 -8.310 -15.425 333 2HB SER 45 2HB SER 45 -3.201 -7.335 -14.627 334 HG SER 45 HG SER 45 -2.724 -10.017 -15.372 335 H LYS 46 H LYS 46 -3.134 -8.196 -11.142 336 HA LYS 46 HA LYS 46 -1.097 -10.156 -10.763 337 1HB LYS 46 1HB LYS 46 -0.284 -8.048 -12.286 338 2HB LYS 46 2HB LYS 46 0.118 -7.481 -10.671 339 1HG LYS 46 1HG LYS 46 1.002 -10.155 -10.854 340 2HG LYS 46 2HG LYS 46 1.519 -9.326 -12.324 341 1HD LYS 46 1HD LYS 46 2.040 -7.507 -10.290 342 2HD LYS 46 2HD LYS 46 2.499 -9.067 -9.606 343 1HE LYS 46 1HE LYS 46 3.753 -9.446 -11.806 344 2HE LYS 46 2HE LYS 46 3.547 -7.714 -12.071 345 1HZ LYS 46 1HZ LYS 46 5.162 -9.108 -10.055 346 2HZ LYS 46 2HZ LYS 46 4.532 -7.585 -9.678 347 3HZ LYS 46 3HZ LYS 46 5.555 -7.768 -11.012 348 H THR 47 H THR 47 -0.022 -9.938 -8.679 349 HA THR 47 HA THR 47 -1.261 -8.054 -6.850 350 HB THR 47 HB THR 47 -1.154 -11.041 -6.431 351 HG1 THR 47 HG1 THR 47 -3.121 -10.926 -7.095 352 1HG2 THR 47 1HG2 THR 47 -0.616 -9.809 -4.343 353 2HG2 THR 47 2HG2 THR 47 -2.112 -10.742 -4.269 354 3HG2 THR 47 3HG2 THR 47 -2.174 -8.992 -4.479 355 HA PRO 48 HA PRO 48 3.149 -7.937 -5.878 356 1HB PRO 48 1HB PRO 48 3.061 -5.739 -4.299 357 2HB PRO 48 2HB PRO 48 3.029 -5.639 -6.064 358 1HG PRO 48 1HG PRO 48 0.761 -5.478 -4.115 359 2HG PRO 48 2HG PRO 48 1.071 -4.494 -5.557 360 1HD PRO 48 1HD PRO 48 -0.695 -6.547 -5.536 361 2HD PRO 48 2HD PRO 48 0.219 -6.081 -6.981 362 H ASP 49 H ASP 49 4.403 -8.069 -3.850 363 HA ASP 49 HA ASP 49 3.077 -9.748 -1.947 364 1HB ASP 49 1HB ASP 49 5.875 -8.641 -2.127 365 2HB ASP 49 2HB ASP 49 5.340 -9.600 -0.751 366 H VAL 50 H VAL 50 3.786 -6.380 -2.191 367 HA VAL 50 HA VAL 50 2.439 -5.914 0.351 368 HB VAL 50 HB VAL 50 4.802 -5.927 0.939 369 1HG1 VAL 50 1HG1 VAL 50 6.458 -4.789 -0.152 370 2HG1 VAL 50 2HG1 VAL 50 5.351 -3.582 -0.800 371 3HG1 VAL 50 3HG1 VAL 50 5.398 -5.196 -1.500 372 1HG2 VAL 50 1HG2 VAL 50 3.129 -4.190 1.842 373 2HG2 VAL 50 2HG2 VAL 50 4.042 -3.036 0.868 374 3HG2 VAL 50 3HG2 VAL 50 4.850 -3.947 2.144 375 H LEU 51 H LEU 51 1.756 -3.574 0.535 376 HA LEU 51 HA LEU 51 1.815 -2.075 -1.950 377 1HB LEU 51 1HB LEU 51 -0.057 -3.709 -2.168 378 2HB LEU 51 2HB LEU 51 -0.819 -2.958 -0.781 379 HG LEU 51 HG LEU 51 -0.984 -0.836 -2.043 380 1HD1 LEU 51 1HD1 LEU 51 -0.304 -0.570 -4.224 381 2HD1 LEU 51 2HD1 LEU 51 -0.284 -2.311 -4.545 382 3HD1 LEU 51 3HD1 LEU 51 0.989 -1.575 -3.572 383 1HD2 LEU 51 1HD2 LEU 51 -2.969 -1.455 -2.894 384 2HD2 LEU 51 2HD2 LEU 51 -2.585 -3.029 -2.200 385 3HD2 LEU 51 3HD2 LEU 51 -2.260 -2.714 -3.905 386 H LEU 52 H LEU 52 0.981 0.054 -1.799 387 HA LEU 52 HA LEU 52 0.490 1.095 0.903 388 1HB LEU 52 1HB LEU 52 2.719 1.698 -0.938 389 2HB LEU 52 2HB LEU 52 1.973 3.088 -0.179 390 HG LEU 52 HG LEU 52 2.813 0.837 1.568 391 1HD1 LEU 52 1HD1 LEU 52 4.725 1.041 0.109 392 2HD1 LEU 52 2HD1 LEU 52 5.100 1.769 1.672 393 3HD1 LEU 52 3HD1 LEU 52 4.713 2.796 0.291 394 1HD2 LEU 52 1HD2 LEU 52 2.588 3.819 1.734 395 2HD2 LEU 52 2HD2 LEU 52 3.523 2.907 2.920 396 3HD2 LEU 52 3HD2 LEU 52 1.800 2.591 2.725 397 H SER 53 H SER 53 -1.389 2.294 0.828 398 HA SER 53 HA SER 53 -2.197 3.387 -1.784 399 1HB SER 53 1HB SER 53 -3.607 1.910 0.171 400 2HB SER 53 2HB SER 53 -4.310 3.526 0.150 401 HG SER 53 HG SER 53 -4.058 2.984 -2.341 402 H ASP 54 H ASP 54 -2.685 5.499 -2.116 403 HA ASP 54 HA ASP 54 -1.626 7.437 -0.320 404 1HB ASP 54 1HB ASP 54 -1.698 7.744 -2.807 405 2HB ASP 54 2HB ASP 54 -3.441 7.954 -2.680 406 H ILE 55 H ILE 55 -4.665 5.934 -0.627 407 HA ILE 55 HA ILE 55 -6.718 6.310 0.260 408 HB ILE 55 HB ILE 55 -5.548 5.611 2.221 409 1HG1 ILE 55 1HG1 ILE 55 -7.396 7.938 2.764 410 2HG1 ILE 55 2HG1 ILE 55 -7.835 6.241 2.612 411 1HG2 ILE 55 1HG2 ILE 55 -3.693 7.075 2.322 412 2HG2 ILE 55 2HG2 ILE 55 -4.602 7.312 3.811 413 3HG2 ILE 55 3HG2 ILE 55 -4.729 8.489 2.509 414 1HD1 ILE 55 1HD1 ILE 55 -6.555 7.674 4.872 415 2HD1 ILE 55 2HD1 ILE 55 -6.167 5.974 4.617 416 3HD1 ILE 55 3HD1 ILE 55 -7.838 6.466 4.875 417 H ARG 56 H ARG 56 -7.068 7.983 -1.381 418 HA ARG 56 HA ARG 56 -8.423 10.178 -0.413 419 1HB ARG 56 1HB ARG 56 -5.622 10.614 -0.313 420 2HB ARG 56 2HB ARG 56 -6.243 11.609 -1.620 421 1HG ARG 56 1HG ARG 56 -8.058 12.179 0.264 422 2HG ARG 56 2HG ARG 56 -6.669 11.815 1.289 423 1HD ARG 56 1HD ARG 56 -5.802 13.809 0.849 424 2HD ARG 56 2HD ARG 56 -5.784 13.438 -0.873 425 HE ARG 56 HE ARG 56 -7.954 14.430 -1.063 426 1HH1 ARG 56 1HH1 ARG 56 -6.399 14.954 2.032 427 2HH1 ARG 56 2HH1 ARG 56 -7.370 16.332 2.417 428 1HH2 ARG 56 1HH2 ARG 56 -9.222 16.238 -0.542 429 2HH2 ARG 56 2HH2 ARG 56 -8.970 17.059 0.963 430 H MET 57 H MET 57 -9.610 9.014 -2.134 431 HA MET 57 HA MET 57 -9.449 10.469 -4.594 432 1HB MET 57 1HB MET 57 -7.856 8.215 -4.487 433 2HB MET 57 2HB MET 57 -9.306 7.643 -5.301 434 1HG MET 57 1HG MET 57 -7.740 10.070 -6.135 435 2HG MET 57 2HG MET 57 -7.540 8.462 -6.828 436 1HE MET 57 1HE MET 57 -9.481 11.761 -6.896 437 2HE MET 57 2HE MET 57 -10.067 11.554 -8.547 438 3HE MET 57 3HE MET 57 -8.348 11.382 -8.193 439 HA PRO 58 HA PRO 58 -13.204 7.474 -4.982 440 1HB PRO 58 1HB PRO 58 -13.611 5.605 -3.073 441 2HB PRO 58 2HB PRO 58 -12.593 5.317 -4.489 442 1HG PRO 58 1HG PRO 58 -11.785 6.114 -1.713 443 2HG PRO 58 2HG PRO 58 -11.105 4.850 -2.753 444 1HD PRO 58 1HD PRO 58 -9.931 7.254 -2.517 445 2HD PRO 58 2HD PRO 58 -9.937 6.373 -4.057 446 H GLY 59 H GLY 59 -15.199 6.748 -3.431 447 1HA GLY 59 1HA GLY 59 -16.222 9.121 -2.368 448 2HA GLY 59 2HA GLY 59 -16.887 7.519 -2.090 449 H MET 60 H MET 60 -15.245 6.204 -0.547 450 HA MET 60 HA MET 60 -15.382 7.582 1.959 451 1HB MET 60 1HB MET 60 -15.199 4.896 1.105 452 2HB MET 60 2HB MET 60 -13.781 5.193 2.099 453 1HG MET 60 1HG MET 60 -15.082 4.764 3.842 454 2HG MET 60 2HG MET 60 -15.803 6.346 3.554 455 1HE MET 60 1HE MET 60 -19.216 5.853 2.567 456 2HE MET 60 2HE MET 60 -17.852 6.864 3.043 457 3HE MET 60 3HE MET 60 -18.646 5.837 4.237 458 H ASP 61 H ASP 61 -13.878 9.164 0.511 459 HA ASP 61 HA ASP 61 -11.935 10.302 0.350 460 1HB ASP 61 1HB ASP 61 -12.018 9.211 3.048 461 2HB ASP 61 2HB ASP 61 -10.367 9.453 2.482 462 H GLY 62 H GLY 62 -10.590 7.464 1.940 463 1HA GLY 62 1HA GLY 62 -9.345 6.637 -0.576 464 2HA GLY 62 2HA GLY 62 -8.312 7.023 0.783 465 H LEU 63 H LEU 63 -10.156 5.942 2.764 466 HA LEU 63 HA LEU 63 -9.155 3.373 2.967 467 1HB LEU 63 1HB LEU 63 -11.780 4.289 4.144 468 2HB LEU 63 2HB LEU 63 -10.779 2.962 4.699 469 HG LEU 63 HG LEU 63 -9.002 4.936 4.988 470 1HD1 LEU 63 1HD1 LEU 63 -9.963 6.982 5.689 471 2HD1 LEU 63 2HD1 LEU 63 -11.595 6.320 5.608 472 3HD1 LEU 63 3HD1 LEU 63 -10.688 6.605 4.127 473 1HD2 LEU 63 1HD2 LEU 63 -10.953 4.884 7.184 474 2HD2 LEU 63 2HD2 LEU 63 -9.226 4.520 7.189 475 3HD2 LEU 63 3HD2 LEU 63 -10.389 3.305 6.643 476 H ALA 64 H ALA 64 -11.794 4.586 1.088 477 HA ALA 64 HA ALA 64 -13.260 2.212 0.721 478 1HB ALA 64 1HB ALA 64 -13.387 3.642 -1.688 479 2HB ALA 64 2HB ALA 64 -13.190 4.854 -0.420 480 3HB ALA 64 3HB ALA 64 -14.524 3.703 -0.343 481 H LEU 65 H LEU 65 -10.314 3.430 -0.750 482 HA LEU 65 HA LEU 65 -10.127 1.688 -2.942 483 1HB LEU 65 1HB LEU 65 -7.891 2.865 -1.286 484 2HB LEU 65 2HB LEU 65 -7.716 2.162 -2.884 485 HG LEU 65 HG LEU 65 -9.539 4.491 -2.430 486 1HD1 LEU 65 1HD1 LEU 65 -7.506 5.833 -3.292 487 2HD1 LEU 65 2HD1 LEU 65 -6.565 4.500 -2.621 488 3HD1 LEU 65 3HD1 LEU 65 -7.625 5.445 -1.575 489 1HD2 LEU 65 1HD2 LEU 65 -9.045 2.902 -4.606 490 2HD2 LEU 65 2HD2 LEU 65 -7.983 4.282 -4.884 491 3HD2 LEU 65 3HD2 LEU 65 -9.711 4.533 -4.660 492 H LEU 66 H LEU 66 -9.379 1.276 0.438 493 HA LEU 66 HA LEU 66 -7.878 -1.112 0.188 494 1HB LEU 66 1HB LEU 66 -9.393 0.161 2.447 495 2HB LEU 66 2HB LEU 66 -8.604 -1.395 2.638 496 HG LEU 66 HG LEU 66 -6.508 -0.076 1.708 497 1HD1 LEU 66 1HD1 LEU 66 -8.123 1.978 1.520 498 2HD1 LEU 66 2HD1 LEU 66 -6.455 2.188 2.035 499 3HD1 LEU 66 3HD1 LEU 66 -7.747 2.159 3.228 500 1HD2 LEU 66 1HD2 LEU 66 -7.555 0.056 4.529 501 2HD2 LEU 66 2HD2 LEU 66 -5.904 0.464 4.063 502 3HD2 LEU 66 3HD2 LEU 66 -6.505 -1.176 3.830 503 H LYS 67 H LYS 67 -11.265 -0.381 0.719 504 HA LYS 67 HA LYS 67 -12.290 -2.925 1.123 505 1HB LYS 67 1HB LYS 67 -13.607 -0.717 -0.457 506 2HB LYS 67 2HB LYS 67 -14.414 -2.041 0.374 507 1HG LYS 67 1HG LYS 67 -13.532 -1.148 2.522 508 2HG LYS 67 2HG LYS 67 -12.911 0.242 1.629 509 1HD LYS 67 1HD LYS 67 -14.905 1.222 1.689 510 2HD LYS 67 2HD LYS 67 -15.659 -0.185 0.938 511 1HE LYS 67 1HE LYS 67 -15.245 -1.027 3.516 512 2HE LYS 67 2HE LYS 67 -15.641 0.678 3.728 513 1HZ LYS 67 1HZ LYS 67 -17.745 0.005 3.593 514 2HZ LYS 67 2HZ LYS 67 -17.333 -1.508 2.959 515 3HZ LYS 67 3HZ LYS 67 -17.483 -0.174 1.931 516 H GLN 68 H GLN 68 -11.560 -1.241 -1.900 517 HA GLN 68 HA GLN 68 -12.629 -3.156 -3.667 518 1HB GLN 68 1HB GLN 68 -10.420 -1.127 -4.000 519 2HB GLN 68 2HB GLN 68 -10.980 -2.143 -5.317 520 1HG GLN 68 1HG GLN 68 -12.748 -0.259 -3.780 521 2HG GLN 68 2HG GLN 68 -11.932 0.152 -5.290 522 1HE2 GLN 68 1HE2 GLN 68 -14.789 -0.006 -4.635 523 2HE2 GLN 68 2HE2 GLN 68 -15.471 -1.116 -5.771 524 H ILE 69 H ILE 69 -9.386 -2.767 -2.302 525 HA ILE 69 HA ILE 69 -8.181 -4.857 -3.756 526 HB ILE 69 HB ILE 69 -7.314 -3.838 -1.058 527 1HG1 ILE 69 1HG1 ILE 69 -6.083 -2.784 -3.539 528 2HG1 ILE 69 2HG1 ILE 69 -7.710 -2.224 -3.178 529 1HG2 ILE 69 1HG2 ILE 69 -5.199 -4.485 -2.883 530 2HG2 ILE 69 2HG2 ILE 69 -6.292 -5.861 -2.720 531 3HG2 ILE 69 3HG2 ILE 69 -5.540 -5.157 -1.289 532 1HD1 ILE 69 1HD1 ILE 69 -6.520 -0.634 -2.097 533 2HD1 ILE 69 2HD1 ILE 69 -5.173 -1.718 -1.750 534 3HD1 ILE 69 3HD1 ILE 69 -6.651 -1.819 -0.799 535 H LYS 70 H LYS 70 -9.858 -4.792 -0.683 536 HA LYS 70 HA LYS 70 -9.155 -7.454 0.032 537 1HB LYS 70 1HB LYS 70 -10.769 -7.226 1.821 538 2HB LYS 70 2HB LYS 70 -9.801 -5.762 1.705 539 1HG LYS 70 1HG LYS 70 -11.572 -4.494 1.256 540 2HG LYS 70 2HG LYS 70 -12.243 -5.668 0.125 541 1HD LYS 70 1HD LYS 70 -12.335 -6.420 2.969 542 2HD LYS 70 2HD LYS 70 -13.364 -5.065 2.499 543 1HE LYS 70 1HE LYS 70 -14.761 -6.373 1.323 544 2HE LYS 70 2HE LYS 70 -13.450 -7.354 0.668 545 1HZ LYS 70 1HZ LYS 70 -14.814 -7.637 3.279 546 2HZ LYS 70 2HZ LYS 70 -13.327 -8.377 2.959 547 3HZ LYS 70 3HZ LYS 70 -14.686 -8.777 2.033 548 H GLN 71 H GLN 71 -11.668 -5.991 -1.840 549 HA GLN 71 HA GLN 71 -13.423 -8.221 -1.817 550 1HB GLN 71 1HB GLN 71 -14.616 -6.350 -2.332 551 2HB GLN 71 2HB GLN 71 -13.278 -5.595 -3.179 552 1HG GLN 71 1HG GLN 71 -14.040 -7.766 -4.780 553 2HG GLN 71 2HG GLN 71 -15.541 -7.045 -4.211 554 1HE2 GLN 71 1HE2 GLN 71 -12.493 -5.386 -4.785 555 2HE2 GLN 71 2HE2 GLN 71 -13.071 -4.389 -6.075 556 H ARG 72 H ARG 72 -10.792 -7.149 -3.814 557 HA ARG 72 HA ARG 72 -11.167 -9.354 -5.683 558 1HB ARG 72 1HB ARG 72 -9.636 -6.824 -5.690 559 2HB ARG 72 2HB ARG 72 -8.892 -8.177 -6.529 560 1HG ARG 72 1HG ARG 72 -10.452 -8.197 -8.175 561 2HG ARG 72 2HG ARG 72 -11.739 -7.618 -7.115 562 1HD ARG 72 1HD ARG 72 -10.055 -5.484 -7.144 563 2HD ARG 72 2HD ARG 72 -9.834 -6.123 -8.773 564 HE ARG 72 HE ARG 72 -12.462 -6.064 -8.674 565 1HH1 ARG 72 1HH1 ARG 72 -10.194 -3.663 -7.528 566 2HH1 ARG 72 2HH1 ARG 72 -11.285 -2.342 -7.774 567 1HH2 ARG 72 1HH2 ARG 72 -13.889 -4.327 -8.994 568 2HH2 ARG 72 2HH2 ARG 72 -13.380 -2.718 -8.604 569 H HIS 73 H HIS 73 -8.528 -8.000 -3.796 570 HA HIS 73 HA HIS 73 -7.387 -10.701 -3.513 571 1HB HIS 73 1HB HIS 73 -5.917 -8.082 -3.186 572 2HB HIS 73 2HB HIS 73 -5.220 -9.696 -3.305 573 HD1 HIS 73 HD1 HIS 73 -5.792 -10.907 -5.725 574 HD2 HIS 73 HD2 HIS 73 -5.944 -6.758 -5.542 575 HE1 HIS 73 HE1 HIS 73 -5.668 -10.130 -8.109 576 HE2 HIS 73 HE2 HIS 73 -6.023 -7.644 -7.976 577 HA PRO 74 HA PRO 74 -8.873 -9.572 0.694 578 1HB PRO 74 1HB PRO 74 -9.524 -12.102 1.413 579 2HB PRO 74 2HB PRO 74 -10.610 -11.055 0.493 580 1HG PRO 74 1HG PRO 74 -8.809 -13.240 -0.478 581 2HG PRO 74 2HG PRO 74 -10.479 -12.871 -0.952 582 1HD PRO 74 1HD PRO 74 -8.337 -12.147 -2.447 583 2HD PRO 74 2HD PRO 74 -9.832 -11.192 -2.387 584 H MET 75 H MET 75 -6.071 -10.522 -0.362 585 HA MET 75 HA MET 75 -5.074 -11.181 2.296 586 1HB MET 75 1HB MET 75 -4.468 -12.801 -0.174 587 2HB MET 75 2HB MET 75 -3.627 -12.968 1.363 588 1HG MET 75 1HG MET 75 -5.633 -13.690 2.450 589 2HG MET 75 2HG MET 75 -6.590 -13.344 1.011 590 1HE MET 75 1HE MET 75 -6.999 -14.502 -0.696 591 2HE MET 75 2HE MET 75 -7.371 -16.147 -0.184 592 3HE MET 75 3HE MET 75 -6.133 -15.863 -1.407 593 H LEU 76 H LEU 76 -4.852 -9.204 -0.324 594 HA LEU 76 HA LEU 76 -2.021 -9.007 -0.558 595 1HB LEU 76 1HB LEU 76 -3.437 -8.379 -2.424 596 2HB LEU 76 2HB LEU 76 -4.188 -7.120 -1.459 597 HG LEU 76 HG LEU 76 -1.782 -6.169 -1.251 598 1HD1 LEU 76 1HD1 LEU 76 -1.190 -8.449 -2.679 599 2HD1 LEU 76 2HD1 LEU 76 -0.144 -7.045 -2.468 600 3HD1 LEU 76 3HD1 LEU 76 -1.164 -7.178 -3.899 601 1HD2 LEU 76 1HD2 LEU 76 -3.553 -6.067 -3.663 602 2HD2 LEU 76 2HD2 LEU 76 -2.072 -5.114 -3.576 603 3HD2 LEU 76 3HD2 LEU 76 -3.348 -4.873 -2.382 604 HA PRO 77 HA PRO 77 -1.599 -6.620 3.242 605 1HB PRO 77 1HB PRO 77 1.189 -6.351 2.307 606 2HB PRO 77 2HB PRO 77 0.572 -7.018 3.820 607 1HG PRO 77 1HG PRO 77 1.600 -8.596 1.917 608 2HG PRO 77 2HG PRO 77 0.227 -9.115 2.912 609 1HD PRO 77 1HD PRO 77 0.249 -8.084 0.099 610 2HD PRO 77 2HD PRO 77 -0.699 -9.407 0.811 611 H VAL 78 H VAL 78 -2.260 -4.558 3.272 612 HA VAL 78 HA VAL 78 -1.158 -2.691 1.280 613 HB VAL 78 HB VAL 78 -3.743 -2.239 2.745 614 1HG1 VAL 78 1HG1 VAL 78 -2.883 -0.283 1.712 615 2HG1 VAL 78 2HG1 VAL 78 -4.195 -0.869 0.691 616 3HG1 VAL 78 3HG1 VAL 78 -2.519 -1.150 0.219 617 1HG2 VAL 78 1HG2 VAL 78 -3.486 -3.555 0.044 618 2HG2 VAL 78 2HG2 VAL 78 -4.971 -3.222 0.935 619 3HG2 VAL 78 3HG2 VAL 78 -3.830 -4.422 1.542 620 H ILE 79 H ILE 79 -0.626 -0.611 1.906 621 HA ILE 79 HA ILE 79 -0.533 -0.048 4.788 622 HB ILE 79 HB ILE 79 1.743 0.601 2.922 623 1HG1 ILE 79 1HG1 ILE 79 2.213 -1.406 5.017 624 2HG1 ILE 79 2HG1 ILE 79 1.131 -1.944 3.738 625 1HG2 ILE 79 1HG2 ILE 79 2.741 1.613 4.657 626 2HG2 ILE 79 2HG2 ILE 79 2.155 0.420 5.813 627 3HG2 ILE 79 3HG2 ILE 79 1.099 1.730 5.291 628 1HD1 ILE 79 1HD1 ILE 79 3.281 -0.682 2.463 629 2HD1 ILE 79 2HD1 ILE 79 2.890 -2.397 2.507 630 3HD1 ILE 79 3HD1 ILE 79 3.969 -1.713 3.719 631 H ILE 80 H ILE 80 -1.708 1.723 5.077 632 HA ILE 80 HA ILE 80 -2.011 3.601 2.876 633 HB ILE 80 HB ILE 80 -3.455 3.723 5.515 634 1HG1 ILE 80 1HG1 ILE 80 -3.777 1.475 4.673 635 2HG1 ILE 80 2HG1 ILE 80 -5.242 2.403 4.367 636 1HG2 ILE 80 1HG2 ILE 80 -4.110 5.604 4.487 637 2HG2 ILE 80 2HG2 ILE 80 -5.176 4.514 3.611 638 3HG2 ILE 80 3HG2 ILE 80 -3.650 5.027 2.889 639 1HD1 ILE 80 1HD1 ILE 80 -3.112 1.661 2.384 640 2HD1 ILE 80 2HD1 ILE 80 -4.435 2.776 2.043 641 3HD1 ILE 80 3HD1 ILE 80 -4.780 1.092 2.439 642 H MET 81 H MET 81 -1.391 5.674 2.857 643 HA MET 81 HA MET 81 0.605 6.476 4.794 644 1HB MET 81 1HB MET 81 0.506 8.605 3.180 645 2HB MET 81 2HB MET 81 1.441 7.161 2.837 646 1HG MET 81 1HG MET 81 -1.297 7.041 1.842 647 2HG MET 81 2HG MET 81 -0.336 8.344 1.153 648 1HE MET 81 1HE MET 81 2.031 8.051 0.525 649 2HE MET 81 2HE MET 81 2.497 6.813 -0.640 650 3HE MET 81 3HE MET 81 2.815 6.573 1.078 651 H THR 82 H THR 82 -2.725 6.892 4.557 652 HA THR 82 HA THR 82 -2.621 8.955 6.606 653 HB THR 82 HB THR 82 -4.491 9.338 4.274 654 HG1 THR 82 HG1 THR 82 -3.021 10.763 3.406 655 1HG2 THR 82 1HG2 THR 82 -5.317 10.848 5.688 656 2HG2 THR 82 2HG2 THR 82 -3.891 11.796 5.264 657 3HG2 THR 82 3HG2 THR 82 -3.890 10.806 6.725 658 H ALA 83 H ALA 83 -4.897 9.328 7.529 659 HA ALA 83 HA ALA 83 -6.629 6.999 7.200 660 1HB ALA 83 1HB ALA 83 -6.596 6.281 9.372 661 2HB ALA 83 2HB ALA 83 -5.979 7.816 9.991 662 3HB ALA 83 3HB ALA 83 -4.906 6.721 9.118 663 H HIS 84 H HIS 84 -6.173 10.299 7.966 664 HA HIS 84 HA HIS 84 -7.585 11.881 8.941 665 1HB HIS 84 1HB HIS 84 -9.469 12.164 7.060 666 2HB HIS 84 2HB HIS 84 -7.792 12.633 6.818 667 HD1 HIS 84 HD1 HIS 84 -9.324 9.162 6.558 668 HD2 HIS 84 HD2 HIS 84 -7.347 11.975 4.230 669 HE1 HIS 84 HE1 HIS 84 -8.951 8.060 4.343 670 HE2 HIS 84 HE2 HIS 84 -7.860 9.819 2.908 671 H SER 85 H SER 85 -10.368 10.480 7.383 672 HA SER 85 HA SER 85 -11.436 9.703 10.010 673 1HB SER 85 1HB SER 85 -12.729 11.421 7.892 674 2HB SER 85 2HB SER 85 -13.671 10.598 9.134 675 HG SER 85 HG SER 85 -12.619 12.908 9.389 676 H ASP 86 H ASP 86 -13.781 8.660 9.466 677 HA ASP 86 HA ASP 86 -14.867 6.818 8.702 678 1HB ASP 86 1HB ASP 86 -14.518 8.199 6.523 679 2HB ASP 86 2HB ASP 86 -13.325 6.966 6.132 680 H LEU 87 H LEU 87 -12.339 6.535 10.099 681 HA LEU 87 HA LEU 87 -10.568 4.684 9.114 682 1HB LEU 87 1HB LEU 87 -11.449 5.541 11.768 683 2HB LEU 87 2HB LEU 87 -10.825 3.905 11.740 684 HG LEU 87 HG LEU 87 -9.304 6.281 10.671 685 1HD1 LEU 87 1HD1 LEU 87 -8.319 6.623 12.696 686 2HD1 LEU 87 2HD1 LEU 87 -8.577 4.962 13.229 687 3HD1 LEU 87 3HD1 LEU 87 -9.916 6.109 13.237 688 1HD2 LEU 87 1HD2 LEU 87 -7.680 4.846 10.110 689 2HD2 LEU 87 2HD2 LEU 87 -8.919 3.599 10.234 690 3HD2 LEU 87 3HD2 LEU 87 -7.857 3.924 11.603 691 H ASP 88 H ASP 88 -13.862 4.180 9.946 692 HA ASP 88 HA ASP 88 -14.031 1.565 10.699 693 1HB ASP 88 1HB ASP 88 -15.794 3.281 8.995 694 2HB ASP 88 2HB ASP 88 -16.199 1.587 9.240 695 H ALA 89 H ALA 89 -13.506 2.771 7.398 696 HA ALA 89 HA ALA 89 -13.731 0.184 6.229 697 1HB ALA 89 1HB ALA 89 -12.540 2.695 5.088 698 2HB ALA 89 2HB ALA 89 -14.215 2.185 4.940 699 3HB ALA 89 3HB ALA 89 -12.936 1.238 4.181 700 H ALA 90 H ALA 90 -11.235 1.871 7.852 701 HA ALA 90 HA ALA 90 -9.006 0.546 6.661 702 1HB ALA 90 1HB ALA 90 -7.754 1.349 8.660 703 2HB ALA 90 2HB ALA 90 -9.277 1.957 9.311 704 3HB ALA 90 3HB ALA 90 -8.633 2.626 7.814 705 H VAL 91 H VAL 91 -11.288 -0.209 9.167 706 HA VAL 91 HA VAL 91 -9.785 -2.242 10.446 707 HB VAL 91 HB VAL 91 -12.793 -2.111 10.357 708 1HG1 VAL 91 1HG1 VAL 91 -10.776 -3.607 11.860 709 2HG1 VAL 91 2HG1 VAL 91 -12.484 -3.961 11.585 710 3HG1 VAL 91 3HG1 VAL 91 -12.009 -2.852 12.872 711 1HG2 VAL 91 1HG2 VAL 91 -10.825 -0.363 11.745 712 2HG2 VAL 91 2HG2 VAL 91 -12.283 -0.831 12.620 713 3HG2 VAL 91 3HG2 VAL 91 -12.413 0.027 11.085 714 H SER 92 H SER 92 -12.157 -2.267 7.820 715 HA SER 92 HA SER 92 -12.352 -5.061 7.548 716 1HB SER 92 1HB SER 92 -12.657 -2.932 5.417 717 2HB SER 92 2HB SER 92 -13.200 -4.605 5.279 718 HG SER 92 HG SER 92 -14.949 -4.001 6.251 719 H ALA 93 H ALA 93 -9.946 -2.769 6.589 720 HA ALA 93 HA ALA 93 -8.681 -4.253 4.575 721 1HB ALA 93 1HB ALA 93 -8.315 -1.851 4.958 722 2HB ALA 93 2HB ALA 93 -6.807 -2.763 4.878 723 3HB ALA 93 3HB ALA 93 -7.442 -2.246 6.439 724 H TYR 94 H TYR 94 -8.104 -4.061 8.043 725 HA TYR 94 HA TYR 94 -5.890 -5.781 8.151 726 1HB TYR 94 1HB TYR 94 -7.963 -5.593 10.329 727 2HB TYR 94 2HB TYR 94 -6.240 -5.908 10.495 728 HD1 TYR 94 HD1 TYR 94 -4.894 -3.842 9.098 729 HD2 TYR 94 HD2 TYR 94 -8.531 -3.589 11.294 730 HE1 TYR 94 HE1 TYR 94 -4.500 -1.442 9.462 731 HE2 TYR 94 HE2 TYR 94 -8.146 -1.191 11.663 732 HH TYR 94 HH TYR 94 -6.626 0.679 10.176 733 H GLN 95 H GLN 95 -9.237 -6.390 7.708 734 HA GLN 95 HA GLN 95 -9.213 -9.137 8.522 735 1HB GLN 95 1HB GLN 95 -11.374 -8.457 8.594 736 2HB GLN 95 2HB GLN 95 -11.145 -7.248 7.345 737 1HG GLN 95 1HG GLN 95 -11.025 -9.576 5.909 738 2HG GLN 95 2HG GLN 95 -12.192 -9.970 7.170 739 1HE2 GLN 95 1HE2 GLN 95 -11.403 -7.165 5.140 740 2HE2 GLN 95 2HE2 GLN 95 -13.032 -6.834 4.669 741 H GLN 96 H GLN 96 -8.768 -7.397 5.508 742 HA GLN 96 HA GLN 96 -8.619 -9.798 3.944 743 1HB GLN 96 1HB GLN 96 -8.331 -8.391 2.061 744 2HB GLN 96 2HB GLN 96 -9.518 -7.613 3.103 745 1HG GLN 96 1HG GLN 96 -8.297 -5.772 3.173 746 2HG GLN 96 2HG GLN 96 -6.926 -6.677 3.811 747 1HE2 GLN 96 1HE2 GLN 96 -8.107 -4.897 1.235 748 2HE2 GLN 96 2HE2 GLN 96 -6.871 -5.261 0.087 749 H GLY 97 H GLY 97 -6.501 -8.361 6.042 750 1HA GLY 97 1HA GLY 97 -4.353 -9.379 6.386 751 2HA GLY 97 2HA GLY 97 -4.230 -9.610 4.651 752 H ALA 98 H ALA 98 -5.411 -6.543 5.674 753 HA ALA 98 HA ALA 98 -3.317 -5.144 4.432 754 1HB ALA 98 1HB ALA 98 -5.689 -4.340 4.995 755 2HB ALA 98 2HB ALA 98 -4.368 -3.180 5.124 756 3HB ALA 98 3HB ALA 98 -5.027 -3.932 6.578 757 H PHE 99 H PHE 99 -1.519 -4.043 5.273 758 HA PHE 99 HA PHE 99 -0.327 -5.285 7.529 759 1HB PHE 99 1HB PHE 99 0.935 -4.440 5.536 760 2HB PHE 99 2HB PHE 99 0.645 -2.803 6.119 761 HD1 PHE 99 HD1 PHE 99 1.885 -6.059 7.461 762 HD2 PHE 99 HD2 PHE 99 2.342 -1.830 7.312 763 HE1 PHE 99 HE1 PHE 99 3.866 -6.225 8.908 764 HE2 PHE 99 HE2 PHE 99 4.329 -1.991 8.754 765 HZ PHE 99 HZ PHE 99 5.092 -4.191 9.558 766 H ASP 100 H ASP 100 -1.329 -1.899 6.950 767 HA ASP 100 HA ASP 100 -2.484 -1.454 9.426 768 1HB ASP 100 1HB ASP 100 -0.631 -0.166 10.574 769 2HB ASP 100 2HB ASP 100 -0.404 -1.908 10.520 770 H TYR 101 H TYR 101 -1.788 1.124 10.068 771 HA TYR 101 HA TYR 101 -2.146 2.603 7.551 772 1HB TYR 101 1HB TYR 101 -3.816 2.607 9.996 773 2HB TYR 101 2HB TYR 101 -3.475 4.192 9.300 774 HD1 TYR 101 HD1 TYR 101 -4.836 0.826 8.433 775 HD2 TYR 101 HD2 TYR 101 -4.665 4.968 7.481 776 HE1 TYR 101 HE1 TYR 101 -6.595 0.513 6.749 777 HE2 TYR 101 HE2 TYR 101 -6.429 4.659 5.811 778 HH TYR 101 HH TYR 101 -8.462 2.301 5.703 779 H LEU 102 H LEU 102 -0.535 3.934 7.222 780 HA LEU 102 HA LEU 102 1.003 4.950 9.501 781 1HB LEU 102 1HB LEU 102 2.422 3.835 7.995 782 2HB LEU 102 2HB LEU 102 1.625 4.521 6.595 783 HG LEU 102 HG LEU 102 2.573 6.787 7.505 784 1HD1 LEU 102 1HD1 LEU 102 3.484 5.185 9.510 785 2HD1 LEU 102 2HD1 LEU 102 4.169 6.752 9.076 786 3HD1 LEU 102 3HD1 LEU 102 4.890 5.269 8.449 787 1HD2 LEU 102 1HD2 LEU 102 4.597 6.446 6.183 788 2HD2 LEU 102 2HD2 LEU 102 3.182 5.766 5.380 789 3HD2 LEU 102 3HD2 LEU 102 4.323 4.704 6.206 790 HA PRO 103 HA PRO 103 -0.832 8.978 8.981 791 1HB PRO 103 1HB PRO 103 1.295 10.440 9.988 792 2HB PRO 103 2HB PRO 103 0.032 9.690 10.965 793 1HG PRO 103 1HG PRO 103 2.785 8.708 10.344 794 2HG PRO 103 2HG PRO 103 1.878 8.619 11.863 795 1HD PRO 103 1HD PRO 103 2.133 6.490 10.257 796 2HD PRO 103 2HD PRO 103 0.635 6.795 11.161 797 H LYS 104 H LYS 104 -0.046 11.211 8.076 798 HA LYS 104 HA LYS 104 0.440 11.074 5.432 799 1HB LYS 104 1HB LYS 104 -0.056 13.140 6.855 800 2HB LYS 104 2HB LYS 104 1.685 13.293 7.035 801 1HG LYS 104 1HG LYS 104 0.693 14.701 5.232 802 2HG LYS 104 2HG LYS 104 1.985 13.624 4.701 803 1HD LYS 104 1HD LYS 104 -0.593 12.331 4.489 804 2HD LYS 104 2HD LYS 104 -0.583 13.862 3.614 805 1HE LYS 104 1HE LYS 104 1.139 13.192 2.202 806 2HE LYS 104 2HE LYS 104 1.674 11.929 3.307 807 1HZ LYS 104 1HZ LYS 104 -0.929 11.827 1.899 808 2HZ LYS 104 2HZ LYS 104 -0.147 10.572 2.714 809 3HZ LYS 104 3HZ LYS 104 0.480 11.146 1.249 810 HA PRO 105 HA PRO 105 5.331 11.556 6.185 811 1HB PRO 105 1HB PRO 105 5.930 9.859 8.354 812 2HB PRO 105 2HB PRO 105 6.055 11.619 8.333 813 1HG PRO 105 1HG PRO 105 3.860 9.887 9.361 814 2HG PRO 105 2HG PRO 105 4.466 11.430 9.992 815 1HD PRO 105 1HD PRO 105 2.167 11.323 8.656 816 2HD PRO 105 2HD PRO 105 3.289 12.673 8.406 817 H PHE 106 H PHE 106 6.895 9.844 5.660 818 HA PHE 106 HA PHE 106 6.440 7.147 5.641 819 1HB PHE 106 1HB PHE 106 5.895 7.074 3.020 820 2HB PHE 106 2HB PHE 106 4.664 6.954 4.264 821 HD1 PHE 106 HD1 PHE 106 2.861 7.741 3.070 822 HD2 PHE 106 HD2 PHE 106 6.402 10.069 3.280 823 HE1 PHE 106 HE1 PHE 106 1.667 9.641 2.035 824 HE2 PHE 106 HE2 PHE 106 5.227 11.975 2.255 825 HZ PHE 106 HZ PHE 106 2.855 11.760 1.629 826 H ASP 107 H ASP 107 7.155 8.745 2.582 827 HA ASP 107 HA ASP 107 9.034 8.695 1.312 828 1HB ASP 107 1HB ASP 107 10.917 9.853 2.241 829 2HB ASP 107 2HB ASP 107 9.471 10.579 2.930 830 H ILE 108 H ILE 108 11.566 7.878 1.534 831 HA ILE 108 HA ILE 108 11.239 5.106 1.699 832 HB ILE 108 HB ILE 108 13.516 6.890 1.181 833 1HG1 ILE 108 1HG1 ILE 108 13.627 5.752 -0.872 834 2HG1 ILE 108 2HG1 ILE 108 12.765 4.356 -0.232 835 1HG2 ILE 108 1HG2 ILE 108 13.834 4.127 2.229 836 2HG2 ILE 108 2HG2 ILE 108 14.812 5.560 2.534 837 3HG2 ILE 108 3HG2 ILE 108 14.939 4.713 0.991 838 1HD1 ILE 108 1HD1 ILE 108 11.220 5.424 -1.590 839 2HD1 ILE 108 2HD1 ILE 108 11.679 7.022 -1.035 840 3HD1 ILE 108 3HD1 ILE 108 10.778 5.948 0.022 841 H ASP 109 H ASP 109 12.924 7.291 3.850 842 HA ASP 109 HA ASP 109 13.904 5.405 5.608 843 1HB ASP 109 1HB ASP 109 13.126 8.270 5.920 844 2HB ASP 109 2HB ASP 109 13.551 7.342 7.353 845 H GLU 110 H GLU 110 10.750 7.152 5.986 846 HA GLU 110 HA GLU 110 10.060 5.433 8.129 847 1HB GLU 110 1HB GLU 110 9.253 7.470 8.639 848 2HB GLU 110 2HB GLU 110 9.206 7.969 6.950 849 1HG GLU 110 1HG GLU 110 7.054 7.963 7.286 850 2HG GLU 110 2HG GLU 110 7.226 6.254 6.949 851 H ALA 111 H ALA 111 9.336 5.663 4.708 852 HA ALA 111 HA ALA 111 7.052 3.924 4.979 853 1HB ALA 111 1HB ALA 111 8.345 4.668 2.372 854 2HB ALA 111 2HB ALA 111 7.210 5.729 3.216 855 3HB ALA 111 3HB ALA 111 6.690 4.135 2.663 856 H VAL 112 H VAL 112 10.350 3.649 3.641 857 HA VAL 112 HA VAL 112 10.098 0.922 2.961 858 HB VAL 112 HB VAL 112 12.642 2.357 3.710 859 1HG1 VAL 112 1HG1 VAL 112 12.174 -0.337 3.192 860 2HG1 VAL 112 2HG1 VAL 112 13.734 0.484 3.223 861 3HG1 VAL 112 3HG1 VAL 112 12.863 0.300 1.700 862 1HG2 VAL 112 1HG2 VAL 112 10.897 2.611 1.412 863 2HG2 VAL 112 2HG2 VAL 112 12.528 2.120 0.953 864 3HG2 VAL 112 3HG2 VAL 112 12.281 3.585 1.893 865 H ALA 113 H ALA 113 10.883 2.629 5.868 866 HA ALA 113 HA ALA 113 11.936 0.581 7.448 867 1HB ALA 113 1HB ALA 113 10.357 3.060 8.027 868 2HB ALA 113 2HB ALA 113 12.068 2.739 8.331 869 3HB ALA 113 3HB ALA 113 10.834 1.964 9.325 870 H LEU 114 H LEU 114 8.613 1.667 6.984 871 HA LEU 114 HA LEU 114 7.495 -0.398 8.604 872 1HB LEU 114 1HB LEU 114 6.464 1.784 8.505 873 2HB LEU 114 2HB LEU 114 6.244 1.635 6.774 874 HG LEU 114 HG LEU 114 4.808 -0.484 7.510 875 1HD1 LEU 114 1HD1 LEU 114 5.053 -0.450 9.837 876 2HD1 LEU 114 2HD1 LEU 114 3.479 0.298 9.558 877 3HD1 LEU 114 3HD1 LEU 114 4.882 1.304 9.920 878 1HD2 LEU 114 1HD2 LEU 114 2.834 0.990 7.449 879 2HD2 LEU 114 2HD2 LEU 114 3.997 1.356 6.174 880 3HD2 LEU 114 3HD2 LEU 114 3.897 2.388 7.601 881 H VAL 115 H VAL 115 8.306 -0.100 5.262 882 HA VAL 115 HA VAL 115 6.468 -2.130 4.397 883 HB VAL 115 HB VAL 115 7.420 -0.237 2.926 884 1HG1 VAL 115 1HG1 VAL 115 9.413 -0.630 1.727 885 2HG1 VAL 115 2HG1 VAL 115 9.558 -2.272 2.358 886 3HG1 VAL 115 3HG1 VAL 115 9.812 -0.893 3.420 887 1HG2 VAL 115 1HG2 VAL 115 6.700 -1.373 1.086 888 2HG2 VAL 115 2HG2 VAL 115 6.079 -2.436 2.348 889 3HG2 VAL 115 3HG2 VAL 115 7.576 -2.843 1.511 890 H GLU 116 H GLU 116 10.010 -2.023 4.837 891 HA GLU 116 HA GLU 116 10.563 -4.632 4.066 892 1HB GLU 116 1HB GLU 116 11.921 -2.762 5.987 893 2HB GLU 116 2HB GLU 116 12.534 -4.389 5.722 894 1HG GLU 116 1HG GLU 116 12.509 -3.780 3.232 895 2HG GLU 116 2HG GLU 116 12.356 -2.117 3.789 896 H ARG 117 H ARG 117 9.797 -3.415 7.328 897 HA ARG 117 HA ARG 117 10.000 -5.904 8.603 898 1HB ARG 117 1HB ARG 117 8.802 -4.915 10.456 899 2HB ARG 117 2HB ARG 117 9.968 -3.767 9.823 900 1HG ARG 117 1HG ARG 117 8.020 -2.778 8.506 901 2HG ARG 117 2HG ARG 117 6.986 -3.733 9.571 902 1HD ARG 117 1HD ARG 117 8.858 -2.447 11.230 903 2HD ARG 117 2HD ARG 117 8.305 -1.233 10.079 904 HE ARG 117 HE ARG 117 6.284 -1.222 11.140 905 1HH1 ARG 117 1HH1 ARG 117 7.974 -4.142 12.026 906 2HH1 ARG 117 2HH1 ARG 117 6.781 -4.629 13.181 907 1HH2 ARG 117 1HH2 ARG 117 4.717 -1.855 12.665 908 2HH2 ARG 117 2HH2 ARG 117 4.934 -3.331 13.545 909 H ALA 118 H ALA 118 7.567 -4.590 6.570 910 HA ALA 118 HA ALA 118 5.414 -6.231 7.448 911 1HB ALA 118 1HB ALA 118 5.824 -4.179 5.485 912 2HB ALA 118 2HB ALA 118 4.320 -4.737 6.218 913 3HB ALA 118 3HB ALA 118 4.947 -5.534 4.774 914 H ILE 119 H ILE 119 7.677 -6.402 4.713 915 HA ILE 119 HA ILE 119 6.666 -8.881 3.761 916 HB ILE 119 HB ILE 119 9.389 -7.725 3.206 917 1HG1 ILE 119 1HG1 ILE 119 7.175 -7.217 1.306 918 2HG1 ILE 119 2HG1 ILE 119 7.117 -6.307 2.813 919 1HG2 ILE 119 1HG2 ILE 119 7.621 -9.712 1.824 920 2HG2 ILE 119 2HG2 ILE 119 9.305 -9.881 2.320 921 3HG2 ILE 119 3HG2 ILE 119 8.888 -8.845 0.956 922 1HD1 ILE 119 1HD1 ILE 119 8.272 -5.166 0.922 923 2HD1 ILE 119 2HD1 ILE 119 9.526 -6.403 1.028 924 3HD1 ILE 119 3HD1 ILE 119 9.231 -5.325 2.395 925 H SER 120 H SER 120 9.110 -7.902 6.008 926 HA SER 120 HA SER 120 10.492 -10.370 6.188 927 1HB SER 120 1HB SER 120 11.286 -8.043 6.938 928 2HB SER 120 2HB SER 120 10.338 -8.325 8.397 929 HG SER 120 HG SER 120 12.721 -9.459 7.584 930 H HIS 121 H HIS 121 7.910 -8.880 8.110 931 HA HIS 121 HA HIS 121 7.708 -10.899 10.052 932 1HB HIS 121 1HB HIS 121 5.818 -8.790 9.051 933 2HB HIS 121 2HB HIS 121 5.294 -9.967 10.252 934 HD1 HIS 121 HD1 HIS 121 8.769 -8.577 10.336 935 HD2 HIS 121 HD2 HIS 121 5.131 -8.043 12.270 936 HE1 HIS 121 HE1 HIS 121 9.276 -7.139 12.336 937 HE2 HIS 121 HE2 HIS 121 7.072 -6.893 13.533 938 H TYR 122 H TYR 122 6.569 -10.721 6.804 939 HA TYR 122 HA TYR 122 4.569 -12.733 7.039 940 1HB TYR 122 1HB TYR 122 5.726 -11.101 4.883 941 2HB TYR 122 2HB TYR 122 5.156 -12.690 4.382 942 HD1 TYR 122 HD1 TYR 122 4.213 -9.387 4.627 943 HD2 TYR 122 HD2 TYR 122 2.747 -13.277 5.535 944 HE1 TYR 122 HE1 TYR 122 1.910 -8.528 4.555 945 HE2 TYR 122 HE2 TYR 122 0.439 -12.428 5.464 946 HH TYR 122 HH TYR 122 -0.799 -10.536 4.436 947 H GLN 123 H GLN 123 7.781 -12.713 5.483 948 HA GLN 123 HA GLN 123 7.777 -15.550 5.158 949 1HB GLN 123 1HB GLN 123 10.002 -15.275 4.250 950 2HB GLN 123 2HB GLN 123 8.944 -14.035 3.589 951 1HG GLN 123 1HG GLN 123 9.864 -12.552 5.478 952 2HG GLN 123 2HG GLN 123 11.142 -13.761 5.600 953 1HE2 GLN 123 1HE2 GLN 123 9.771 -11.216 3.711 954 2HE2 GLN 123 2HE2 GLN 123 11.048 -11.099 2.553 955 H GLU 124 H GLU 124 10.192 -16.479 5.851 956 HA GLU 124 HA GLU 124 10.919 -15.759 8.534 957 1HB GLU 124 1HB GLU 124 8.895 -17.747 8.136 958 2HB GLU 124 2HB GLU 124 10.331 -18.527 8.784 959 1HG GLU 124 1HG GLU 124 9.563 -16.024 10.114 960 2HG GLU 124 2HG GLU 124 8.414 -17.351 10.277
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